USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 LYS NZ :NH3+ -175:sc= -0.639 (180deg=-0.651) USER MOD Set 1.2: D 10 LYS NZ :NH3+ -171:sc= -0.0153 (180deg=-0.198) USER MOD Single : A 1 CYS N :NH3+ 173:sc= -0.0842 (180deg=-0.103) 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 173:sc= -0.124 (180deg=-0.18) 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+ -136:sc=-0.00422 (180deg=-0.173) USER MOD Single : C 1 CYS N :NH3+ 164:sc=0.000801 (180deg=0) USER MOD Single : C 2 TYR OH : rot 180:sc= 0 USER MOD Single : C 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 1 CYS N :NH3+ 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 3.806 3.853 -8.976 1.00 0.00 N ATOM 2 CA CYS A 1 3.966 3.937 -7.494 1.00 0.00 C ATOM 3 C CYS A 1 5.129 3.072 -7.040 1.00 0.00 C ATOM 4 O CYS A 1 5.337 2.858 -5.863 1.00 0.00 O ATOM 5 CB CYS A 1 2.649 3.418 -6.920 1.00 0.00 C ATOM 6 SG CYS A 1 1.616 4.818 -6.414 1.00 0.00 S ATOM 0 H1 CYS A 1 2.939 4.352 -9.260 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.626 4.293 -9.439 1.00 0.00 H new ATOM 0 H3 CYS A 1 3.741 2.855 -9.262 1.00 0.00 H new ATOM 0 HA CYS A 1 4.180 4.952 -7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.127 2.818 -7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 1 2.843 2.768 -6.066 1.00 0.00 H new ATOM 13 N TYR A 2 5.904 2.593 -7.960 1.00 0.00 N ATOM 14 CA TYR A 2 7.067 1.768 -7.573 1.00 0.00 C ATOM 15 C TYR A 2 8.340 2.511 -7.983 1.00 0.00 C ATOM 16 O TYR A 2 9.384 2.350 -7.387 1.00 0.00 O ATOM 17 CB TYR A 2 6.897 0.446 -8.329 1.00 0.00 C ATOM 18 CG TYR A 2 7.576 0.547 -9.663 1.00 0.00 C ATOM 19 CD1 TYR A 2 8.967 0.487 -9.728 1.00 0.00 C ATOM 20 CD2 TYR A 2 6.821 0.729 -10.818 1.00 0.00 C ATOM 21 CE1 TYR A 2 9.613 0.610 -10.953 1.00 0.00 C ATOM 22 CE2 TYR A 2 7.460 0.848 -12.051 1.00 0.00 C ATOM 23 CZ TYR A 2 8.862 0.790 -12.124 1.00 0.00 C ATOM 24 OH TYR A 2 9.497 0.910 -13.343 1.00 0.00 O ATOM 0 H TYR A 2 5.783 2.737 -8.962 1.00 0.00 H new ATOM 0 HA TYR A 2 7.136 1.578 -6.502 1.00 0.00 H new ATOM 0 HB2 TYR A 2 7.324 -0.374 -7.752 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.838 0.224 -8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 2 9.544 0.345 -8.826 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.744 0.778 -10.759 1.00 0.00 H new ATOM 0 HE1 TYR A 2 10.691 0.567 -11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.878 0.985 -12.950 1.00 0.00 H new ATOM 0 HH TYR A 2 8.829 1.028 -14.050 1.00 0.00 H new ATOM 34 N LEU A 3 8.255 3.334 -9.000 1.00 0.00 N ATOM 35 CA LEU A 3 9.456 4.098 -9.434 1.00 0.00 C ATOM 36 C LEU A 3 10.132 4.636 -8.187 1.00 0.00 C ATOM 37 O LEU A 3 11.277 4.355 -7.910 1.00 0.00 O ATOM 38 CB LEU A 3 8.918 5.233 -10.290 1.00 0.00 C ATOM 39 CG LEU A 3 8.934 4.824 -11.749 1.00 0.00 C ATOM 40 CD1 LEU A 3 8.088 3.567 -11.936 1.00 0.00 C ATOM 41 CD2 LEU A 3 8.362 5.956 -12.602 1.00 0.00 C ATOM 0 H LEU A 3 7.409 3.506 -9.543 1.00 0.00 H new ATOM 0 HA LEU A 3 10.180 3.503 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.902 5.483 -9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.523 6.128 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 3 9.959 4.620 -12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.100 3.273 -12.986 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.497 2.760 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.062 3.769 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.373 5.662 -13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.337 6.162 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.967 6.853 -12.470 1.00 0.00 H new ATOM 53 N ARG A 4 9.391 5.372 -7.410 1.00 0.00 N ATOM 54 CA ARG A 4 9.934 5.908 -6.130 1.00 0.00 C ATOM 55 C ARG A 4 10.792 4.827 -5.479 1.00 0.00 C ATOM 56 O ARG A 4 11.834 5.094 -4.917 1.00 0.00 O ATOM 57 CB ARG A 4 8.710 6.202 -5.246 1.00 0.00 C ATOM 58 CG ARG A 4 7.588 6.841 -6.073 1.00 0.00 C ATOM 59 CD ARG A 4 6.539 5.779 -6.442 1.00 0.00 C ATOM 60 NE ARG A 4 5.710 6.426 -7.496 1.00 0.00 N ATOM 61 CZ ARG A 4 4.912 7.411 -7.185 1.00 0.00 C ATOM 62 NH1 ARG A 4 3.994 7.243 -6.273 1.00 0.00 N ATOM 63 NH2 ARG A 4 5.031 8.564 -7.787 1.00 0.00 N ATOM 0 H ARG A 4 8.424 5.628 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 4 10.543 6.801 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.353 5.278 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.994 6.869 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.120 7.646 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.000 7.287 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.009 4.867 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.936 5.500 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 4 5.766 6.100 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.900 6.342 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.370 8.012 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.748 8.695 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.407 9.333 -7.543 1.00 0.00 H new ATOM 77 N ARG A 5 10.354 3.598 -5.567 1.00 0.00 N ATOM 78 CA ARG A 5 11.141 2.480 -4.969 1.00 0.00 C ATOM 79 C ARG A 5 12.286 2.067 -5.898 1.00 0.00 C ATOM 80 O ARG A 5 13.429 1.991 -5.491 1.00 0.00 O ATOM 81 CB ARG A 5 10.153 1.340 -4.786 1.00 0.00 C ATOM 82 CG ARG A 5 9.255 1.626 -3.585 1.00 0.00 C ATOM 83 CD ARG A 5 7.806 1.698 -4.060 1.00 0.00 C ATOM 84 NE ARG A 5 7.418 0.284 -4.324 1.00 0.00 N ATOM 85 CZ ARG A 5 6.157 -0.051 -4.373 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.318 0.428 -3.494 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.734 -0.865 -5.302 1.00 0.00 N ATOM 0 H ARG A 5 9.487 3.321 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 5 11.599 2.769 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.548 1.222 -5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.688 0.402 -4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.368 0.843 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.544 2.565 -3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.164 2.149 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.715 2.307 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 5 8.139 -0.424 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.648 1.064 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.333 0.166 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.389 -1.239 -5.989 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.749 -1.127 -5.341 1.00 0.00 H new ATOM 101 N PHE A 6 11.995 1.804 -7.142 1.00 0.00 N ATOM 102 CA PHE A 6 13.075 1.404 -8.089 1.00 0.00 C ATOM 103 C PHE A 6 14.060 2.564 -8.278 1.00 0.00 C ATOM 104 O PHE A 6 15.250 2.364 -8.425 1.00 0.00 O ATOM 105 CB PHE A 6 12.345 1.067 -9.385 1.00 0.00 C ATOM 106 CG PHE A 6 13.243 1.263 -10.566 1.00 0.00 C ATOM 107 CD1 PHE A 6 14.164 0.276 -10.907 1.00 0.00 C ATOM 108 CD2 PHE A 6 13.141 2.425 -11.326 1.00 0.00 C ATOM 109 CE1 PHE A 6 14.991 0.451 -12.013 1.00 0.00 C ATOM 110 CE2 PHE A 6 13.966 2.606 -12.432 1.00 0.00 C ATOM 111 CZ PHE A 6 14.896 1.618 -12.780 1.00 0.00 C ATOM 0 H PHE A 6 11.058 1.848 -7.544 1.00 0.00 H new ATOM 0 HA PHE A 6 13.665 0.559 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.997 0.034 -9.354 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.462 1.698 -9.485 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.237 -0.624 -10.314 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.422 3.185 -11.058 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.706 -0.314 -12.279 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.889 3.508 -13.022 1.00 0.00 H new ATOM 0 HZ PHE A 6 15.538 1.756 -13.638 1.00 0.00 H new ATOM 121 N PHE A 7 13.570 3.772 -8.281 1.00 0.00 N ATOM 122 CA PHE A 7 14.463 4.939 -8.462 1.00 0.00 C ATOM 123 C PHE A 7 15.244 5.223 -7.180 1.00 0.00 C ATOM 124 O PHE A 7 16.442 5.420 -7.206 1.00 0.00 O ATOM 125 CB PHE A 7 13.536 6.095 -8.793 1.00 0.00 C ATOM 126 CG PHE A 7 13.884 6.622 -10.158 1.00 0.00 C ATOM 127 CD1 PHE A 7 15.209 6.954 -10.453 1.00 0.00 C ATOM 128 CD2 PHE A 7 12.888 6.772 -11.128 1.00 0.00 C ATOM 129 CE1 PHE A 7 15.542 7.438 -11.719 1.00 0.00 C ATOM 130 CE2 PHE A 7 13.219 7.257 -12.397 1.00 0.00 C ATOM 131 CZ PHE A 7 14.548 7.591 -12.694 1.00 0.00 C ATOM 0 H PHE A 7 12.582 3.998 -8.165 1.00 0.00 H new ATOM 0 HA PHE A 7 15.203 4.772 -9.245 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.498 5.764 -8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.636 6.884 -8.047 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.975 6.836 -9.701 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.865 6.514 -10.897 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.566 7.695 -11.947 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.452 7.374 -13.148 1.00 0.00 H new ATOM 0 HZ PHE A 7 14.805 7.966 -13.674 1.00 0.00 H new ATOM 141 N LYS A 8 14.577 5.250 -6.059 1.00 0.00 N ATOM 142 CA LYS A 8 15.286 5.523 -4.783 1.00 0.00 C ATOM 143 C LYS A 8 16.597 4.744 -4.736 1.00 0.00 C ATOM 144 O LYS A 8 17.551 5.147 -4.101 1.00 0.00 O ATOM 145 CB LYS A 8 14.342 5.044 -3.694 1.00 0.00 C ATOM 146 CG LYS A 8 13.624 6.242 -3.076 1.00 0.00 C ATOM 147 CD LYS A 8 14.413 6.730 -1.862 1.00 0.00 C ATOM 148 CE LYS A 8 15.366 7.847 -2.291 1.00 0.00 C ATOM 149 NZ LYS A 8 15.911 8.399 -1.019 1.00 0.00 N ATOM 0 H LYS A 8 13.572 5.095 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 8 15.536 6.577 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.615 4.346 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.899 4.505 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.530 7.043 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.613 5.962 -2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.731 7.094 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.975 5.905 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.163 7.463 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.843 8.614 -2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.574 9.171 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.131 8.763 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.409 7.648 -0.500 1.00 0.00 H new ATOM 163 N ALA A 9 16.654 3.636 -5.419 1.00 0.00 N ATOM 164 CA ALA A 9 17.898 2.838 -5.432 1.00 0.00 C ATOM 165 C ALA A 9 18.736 3.260 -6.634 1.00 0.00 C ATOM 166 O ALA A 9 19.950 3.208 -6.618 1.00 0.00 O ATOM 167 CB ALA A 9 17.446 1.386 -5.563 1.00 0.00 C ATOM 0 H ALA A 9 15.886 3.252 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 9 18.506 2.977 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.319 0.733 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.813 1.124 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.883 1.262 -6.488 1.00 0.00 H new ATOM 173 N LYS A 10 18.083 3.693 -7.675 1.00 0.00 N ATOM 174 CA LYS A 10 18.801 4.140 -8.882 1.00 0.00 C ATOM 175 C LYS A 10 19.630 5.383 -8.558 1.00 0.00 C ATOM 176 O LYS A 10 20.822 5.425 -8.792 1.00 0.00 O ATOM 177 CB LYS A 10 17.692 4.465 -9.867 1.00 0.00 C ATOM 178 CG LYS A 10 18.134 4.106 -11.285 1.00 0.00 C ATOM 179 CD LYS A 10 17.626 2.707 -11.638 1.00 0.00 C ATOM 180 CE LYS A 10 18.812 1.753 -11.787 1.00 0.00 C ATOM 181 NZ LYS A 10 18.733 0.854 -10.601 1.00 0.00 N ATOM 0 H LYS A 10 17.067 3.754 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 10 19.495 3.396 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 10 16.789 3.912 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.444 5.525 -9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.744 4.836 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.221 4.139 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.952 2.347 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.054 2.740 -12.565 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.749 1.187 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 10 19.756 2.297 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.561 0.225 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.717 1.426 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.866 0.283 -10.656 1.00 0.00 H new ATOM 195 N LYS A 11 19.011 6.395 -8.010 1.00 0.00 N ATOM 196 CA LYS A 11 19.769 7.628 -7.664 1.00 0.00 C ATOM 197 C LYS A 11 21.037 7.259 -6.890 1.00 0.00 C ATOM 198 O LYS A 11 22.020 7.972 -6.906 1.00 0.00 O ATOM 199 CB LYS A 11 18.819 8.445 -6.787 1.00 0.00 C ATOM 200 CG LYS A 11 18.027 9.423 -7.659 1.00 0.00 C ATOM 201 CD LYS A 11 18.939 10.567 -8.107 1.00 0.00 C ATOM 202 CE LYS A 11 18.232 11.392 -9.186 1.00 0.00 C ATOM 203 NZ LYS A 11 19.021 11.160 -10.428 1.00 0.00 N ATOM 0 H LYS A 11 18.016 6.419 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 11 20.084 8.186 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 11 18.137 7.781 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.384 8.991 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.623 8.905 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.178 9.818 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 11 19.190 11.200 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.876 10.168 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.197 11.074 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.211 12.450 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.597 11.694 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.000 11.478 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.017 10.146 -10.657 1.00 0.00 H new ATOM 217 N LEU A 12 21.016 6.146 -6.207 1.00 0.00 N ATOM 218 CA LEU A 12 22.205 5.721 -5.424 1.00 0.00 C ATOM 219 C LEU A 12 23.302 5.185 -6.349 1.00 0.00 C ATOM 220 O LEU A 12 24.418 4.957 -5.929 1.00 0.00 O ATOM 221 CB LEU A 12 21.695 4.611 -4.506 1.00 0.00 C ATOM 222 CG LEU A 12 20.432 5.083 -3.784 1.00 0.00 C ATOM 223 CD1 LEU A 12 20.078 4.092 -2.676 1.00 0.00 C ATOM 224 CD2 LEU A 12 20.680 6.462 -3.170 1.00 0.00 C ATOM 0 H LEU A 12 20.219 5.511 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 12 22.643 6.550 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.480 3.714 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.463 4.344 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 12 19.609 5.144 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.178 4.428 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.902 3.108 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.902 4.032 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.780 6.798 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 12 21.503 6.401 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 20.934 7.171 -3.958 1.00 0.00 H new ATOM 236 N ILE A 13 22.999 4.979 -7.604 1.00 0.00 N ATOM 237 CA ILE A 13 24.039 4.454 -8.538 1.00 0.00 C ATOM 238 C ILE A 13 23.879 5.055 -9.922 1.00 0.00 C ATOM 239 O ILE A 13 23.896 4.368 -10.924 1.00 0.00 O ATOM 240 CB ILE A 13 23.845 2.935 -8.582 1.00 0.00 C ATOM 241 CG1 ILE A 13 22.355 2.585 -8.613 1.00 0.00 C ATOM 242 CG2 ILE A 13 24.486 2.296 -7.351 1.00 0.00 C ATOM 243 CD1 ILE A 13 22.032 1.865 -9.924 1.00 0.00 C ATOM 0 H ILE A 13 22.084 5.150 -8.020 1.00 0.00 H new ATOM 0 HA ILE A 13 25.041 4.717 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 13 24.319 2.552 -9.486 1.00 0.00 H new ATOM 0 HG12 ILE A 13 22.101 1.950 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.755 3.491 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 13 24.345 1.216 -7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.552 2.523 -7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.019 2.693 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.972 1.614 -9.950 1.00 0.00 H new ATOM 0 HD12 ILE A 13 22.271 2.516 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 13 22.623 0.951 -9.993 1.00 0.00 H new ATOM 255 N GLU A 14 23.708 6.333 -9.978 1.00 0.00 N ATOM 256 CA GLU A 14 23.527 7.012 -11.268 1.00 0.00 C ATOM 257 C GLU A 14 24.423 8.252 -11.355 1.00 0.00 C ATOM 258 O GLU A 14 25.476 8.242 -10.739 1.00 0.00 O ATOM 259 CB GLU A 14 22.063 7.396 -11.240 1.00 0.00 C ATOM 260 CG GLU A 14 21.227 6.120 -11.226 1.00 0.00 C ATOM 261 CD GLU A 14 20.858 5.732 -12.659 1.00 0.00 C ATOM 262 OE1 GLU A 14 21.671 5.091 -13.306 1.00 0.00 O ATOM 263 OE2 GLU A 14 19.771 6.081 -13.085 1.00 0.00 O ATOM 264 OXT GLU A 14 24.040 9.188 -12.037 1.00 0.00 O ATOM 0 H GLU A 14 23.686 6.947 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 14 23.792 6.397 -12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 14 21.847 8.000 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.814 8.002 -12.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.785 5.313 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.323 6.272 -10.636 1.00 0.00 H new TER 271 GLU A 14 ATOM 272 N CYS B 1 0.209 4.612 -1.283 1.00 0.00 N ATOM 273 CA CYS B 1 1.275 4.111 -2.199 1.00 0.00 C ATOM 274 C CYS B 1 2.634 4.197 -1.523 1.00 0.00 C ATOM 275 O CYS B 1 3.663 4.023 -2.146 1.00 0.00 O ATOM 276 CB CYS B 1 1.221 5.032 -3.416 1.00 0.00 C ATOM 277 SG CYS B 1 0.562 4.120 -4.836 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.695 4.659 -1.795 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.115 3.966 -0.474 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.463 5.561 -0.941 1.00 0.00 H new ATOM 0 HA CYS B 1 1.124 3.067 -2.473 1.00 0.00 H new ATOM 0 HB2 CYS B 1 0.593 5.897 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.218 5.410 -3.644 1.00 0.00 H new ATOM 284 N TYR B 2 2.647 4.442 -0.253 1.00 0.00 N ATOM 285 CA TYR B 2 3.938 4.513 0.466 1.00 0.00 C ATOM 286 C TYR B 2 3.956 3.417 1.536 1.00 0.00 C ATOM 287 O TYR B 2 4.996 2.927 1.916 1.00 0.00 O ATOM 288 CB TYR B 2 3.979 5.920 1.078 1.00 0.00 C ATOM 289 CG TYR B 2 3.353 5.885 2.444 1.00 0.00 C ATOM 290 CD1 TYR B 2 4.059 5.319 3.504 1.00 0.00 C ATOM 291 CD2 TYR B 2 2.067 6.384 2.640 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.488 5.250 4.766 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.485 6.321 3.905 1.00 0.00 C ATOM 294 CZ TYR B 2 2.195 5.752 4.976 1.00 0.00 C ATOM 295 OH TYR B 2 1.622 5.689 6.230 1.00 0.00 O ATOM 0 H TYR B 2 1.818 4.597 0.321 1.00 0.00 H new ATOM 0 HA TYR B 2 4.808 4.353 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR B 2 5.009 6.270 1.146 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.445 6.623 0.439 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.054 4.933 3.342 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.523 6.818 1.814 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.038 4.811 5.585 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.489 6.709 4.062 1.00 0.00 H new ATOM 0 HH TYR B 2 0.725 6.082 6.200 1.00 0.00 H new ATOM 305 N LEU B 3 2.799 3.034 2.023 1.00 0.00 N ATOM 306 CA LEU B 3 2.743 1.964 3.057 1.00 0.00 C ATOM 307 C LEU B 3 3.711 0.870 2.649 1.00 0.00 C ATOM 308 O LEU B 3 4.608 0.503 3.374 1.00 0.00 O ATOM 309 CB LEU B 3 1.313 1.449 3.018 1.00 0.00 C ATOM 310 CG LEU B 3 0.487 2.158 4.070 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.585 3.666 3.857 1.00 0.00 C ATOM 312 CD2 LEU B 3 -0.973 1.715 3.958 1.00 0.00 C ATOM 0 H LEU B 3 1.895 3.418 1.747 1.00 0.00 H new ATOM 0 HA LEU B 3 3.010 2.309 4.056 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.883 1.616 2.030 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.299 0.373 3.194 1.00 0.00 H new ATOM 0 HG LEU B 3 0.863 1.907 5.062 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -0.009 4.180 4.613 1.00 0.00 H new ATOM 0 HD12 LEU B 3 1.626 3.978 3.939 1.00 0.00 H new ATOM 0 HD13 LEU B 3 0.208 3.919 2.866 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.567 2.226 4.716 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -1.354 1.965 2.968 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -1.039 0.638 4.110 1.00 0.00 H new ATOM 324 N ARG B 4 3.548 0.388 1.455 1.00 0.00 N ATOM 325 CA ARG B 4 4.475 -0.654 0.935 1.00 0.00 C ATOM 326 C ARG B 4 5.896 -0.237 1.293 1.00 0.00 C ATOM 327 O ARG B 4 6.702 -1.031 1.730 1.00 0.00 O ATOM 328 CB ARG B 4 4.309 -0.663 -0.597 1.00 0.00 C ATOM 329 CG ARG B 4 2.852 -0.401 -0.995 1.00 0.00 C ATOM 330 CD ARG B 4 2.660 1.092 -1.313 1.00 0.00 C ATOM 331 NE ARG B 4 1.205 1.347 -1.105 1.00 0.00 N ATOM 332 CZ ARG B 4 0.314 0.555 -1.640 1.00 0.00 C ATOM 333 NH1 ARG B 4 0.399 0.234 -2.902 1.00 0.00 N ATOM 334 NH2 ARG B 4 -0.660 0.083 -0.911 1.00 0.00 N ATOM 0 H ARG B 4 2.809 0.670 0.811 1.00 0.00 H new ATOM 0 HA ARG B 4 4.269 -1.640 1.352 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.953 0.097 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG B 4 4.631 -1.625 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG B 4 2.588 -1.004 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG B 4 2.185 -0.699 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG B 4 3.268 1.716 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG B 4 2.958 1.319 -2.337 1.00 0.00 H new ATOM 0 HE ARG B 4 0.904 2.143 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG B 4 1.161 0.601 -3.471 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -0.297 -0.384 -3.319 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -0.725 0.332 0.076 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -1.356 -0.535 -1.328 1.00 0.00 H new ATOM 348 N ARG B 5 6.194 1.022 1.116 1.00 0.00 N ATOM 349 CA ARG B 5 7.554 1.529 1.450 1.00 0.00 C ATOM 350 C ARG B 5 7.739 1.588 2.972 1.00 0.00 C ATOM 351 O ARG B 5 8.745 1.155 3.500 1.00 0.00 O ATOM 352 CB ARG B 5 7.620 2.917 0.806 1.00 0.00 C ATOM 353 CG ARG B 5 8.448 3.884 1.657 1.00 0.00 C ATOM 354 CD ARG B 5 7.505 4.717 2.523 1.00 0.00 C ATOM 355 NE ARG B 5 7.749 6.128 2.113 1.00 0.00 N ATOM 356 CZ ARG B 5 7.048 7.090 2.645 1.00 0.00 C ATOM 357 NH1 ARG B 5 7.040 7.250 3.940 1.00 0.00 N ATOM 358 NH2 ARG B 5 6.358 7.894 1.885 1.00 0.00 N ATOM 0 H ARG B 5 5.550 1.724 0.752 1.00 0.00 H new ATOM 0 HA ARG B 5 8.352 0.885 1.080 1.00 0.00 H new ATOM 0 HB2 ARG B 5 8.057 2.838 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG B 5 6.611 3.311 0.681 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.145 3.330 2.285 1.00 0.00 H new ATOM 0 HG3 ARG B 5 9.044 4.534 1.016 1.00 0.00 H new ATOM 0 HD2 ARG B 5 6.465 4.433 2.360 1.00 0.00 H new ATOM 0 HD3 ARG B 5 7.712 4.573 3.583 1.00 0.00 H new ATOM 0 HE ARG B 5 8.463 6.341 1.417 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.582 6.623 4.535 1.00 0.00 H new ATOM 0 HH12 ARG B 5 6.492 8.002 4.358 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.366 7.771 0.872 1.00 0.00 H new ATOM 0 HH22 ARG B 5 5.810 8.646 2.303 1.00 0.00 H new ATOM 372 N PHE B 6 6.782 2.115 3.677 1.00 0.00 N ATOM 373 CA PHE B 6 6.909 2.192 5.159 1.00 0.00 C ATOM 374 C PHE B 6 6.811 0.783 5.762 1.00 0.00 C ATOM 375 O PHE B 6 7.640 0.371 6.549 1.00 0.00 O ATOM 376 CB PHE B 6 5.745 3.089 5.595 1.00 0.00 C ATOM 377 CG PHE B 6 5.049 2.527 6.797 1.00 0.00 C ATOM 378 CD1 PHE B 6 5.574 2.749 8.066 1.00 0.00 C ATOM 379 CD2 PHE B 6 3.879 1.790 6.634 1.00 0.00 C ATOM 380 CE1 PHE B 6 4.926 2.232 9.184 1.00 0.00 C ATOM 381 CE2 PHE B 6 3.228 1.271 7.748 1.00 0.00 C ATOM 382 CZ PHE B 6 3.749 1.490 9.029 1.00 0.00 C ATOM 0 H PHE B 6 5.917 2.496 3.294 1.00 0.00 H new ATOM 0 HA PHE B 6 7.865 2.596 5.493 1.00 0.00 H new ATOM 0 HB2 PHE B 6 6.117 4.088 5.821 1.00 0.00 H new ATOM 0 HB3 PHE B 6 5.034 3.192 4.775 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.482 3.321 8.183 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.478 1.622 5.645 1.00 0.00 H new ATOM 0 HE1 PHE B 6 5.331 2.403 10.170 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.320 0.699 7.625 1.00 0.00 H new ATOM 0 HZ PHE B 6 3.244 1.088 9.895 1.00 0.00 H new ATOM 392 N PHE B 7 5.792 0.053 5.400 1.00 0.00 N ATOM 393 CA PHE B 7 5.611 -1.316 5.940 1.00 0.00 C ATOM 394 C PHE B 7 6.801 -2.209 5.587 1.00 0.00 C ATOM 395 O PHE B 7 7.262 -2.986 6.397 1.00 0.00 O ATOM 396 CB PHE B 7 4.339 -1.819 5.284 1.00 0.00 C ATOM 397 CG PHE B 7 3.287 -2.017 6.343 1.00 0.00 C ATOM 398 CD1 PHE B 7 3.564 -2.817 7.455 1.00 0.00 C ATOM 399 CD2 PHE B 7 2.039 -1.398 6.216 1.00 0.00 C ATOM 400 CE1 PHE B 7 2.595 -3.001 8.443 1.00 0.00 C ATOM 401 CE2 PHE B 7 1.066 -1.581 7.205 1.00 0.00 C ATOM 402 CZ PHE B 7 1.344 -2.384 8.320 1.00 0.00 C ATOM 0 H PHE B 7 5.071 0.354 4.745 1.00 0.00 H new ATOM 0 HA PHE B 7 5.546 -1.324 7.028 1.00 0.00 H new ATOM 0 HB2 PHE B 7 3.992 -1.104 4.538 1.00 0.00 H new ATOM 0 HB3 PHE B 7 4.530 -2.757 4.763 1.00 0.00 H new ATOM 0 HD1 PHE B 7 4.529 -3.293 7.550 1.00 0.00 H new ATOM 0 HD2 PHE B 7 1.827 -0.780 5.356 1.00 0.00 H new ATOM 0 HE1 PHE B 7 2.810 -3.619 9.302 1.00 0.00 H new ATOM 0 HE2 PHE B 7 0.102 -1.104 7.109 1.00 0.00 H new ATOM 0 HZ PHE B 7 0.594 -2.527 9.084 1.00 0.00 H new ATOM 412 N LYS B 8 7.302 -2.115 4.389 1.00 0.00 N ATOM 413 CA LYS B 8 8.458 -2.969 4.011 1.00 0.00 C ATOM 414 C LYS B 8 9.512 -2.937 5.116 1.00 0.00 C ATOM 415 O LYS B 8 10.289 -3.857 5.276 1.00 0.00 O ATOM 416 CB LYS B 8 9.003 -2.361 2.728 1.00 0.00 C ATOM 417 CG LYS B 8 8.680 -3.277 1.546 1.00 0.00 C ATOM 418 CD LYS B 8 9.597 -2.934 0.370 1.00 0.00 C ATOM 419 CE LYS B 8 8.760 -2.410 -0.798 1.00 0.00 C ATOM 420 NZ LYS B 8 9.442 -2.922 -2.020 1.00 0.00 N ATOM 0 H LYS B 8 6.963 -1.488 3.660 1.00 0.00 H new ATOM 0 HA LYS B 8 8.174 -4.012 3.870 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.566 -1.375 2.567 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.081 -2.222 2.809 1.00 0.00 H new ATOM 0 HG2 LYS B 8 8.814 -4.320 1.833 1.00 0.00 H new ATOM 0 HG3 LYS B 8 7.637 -3.158 1.254 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.328 -2.184 0.672 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.156 -3.818 0.062 1.00 0.00 H new ATOM 0 HE2 LYS B 8 7.732 -2.769 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.718 -1.321 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 8.926 -2.604 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 10.416 -2.559 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 9.461 -3.962 -1.997 1.00 0.00 H new ATOM 434 N ALA B 9 9.534 -1.887 5.889 1.00 0.00 N ATOM 435 CA ALA B 9 10.519 -1.795 6.991 1.00 0.00 C ATOM 436 C ALA B 9 9.926 -2.441 8.238 1.00 0.00 C ATOM 437 O ALA B 9 10.625 -2.918 9.110 1.00 0.00 O ATOM 438 CB ALA B 9 10.745 -0.298 7.207 1.00 0.00 C ATOM 0 H ALA B 9 8.907 -1.087 5.801 1.00 0.00 H new ATOM 0 HA ALA B 9 11.456 -2.305 6.769 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.466 -0.151 8.011 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.129 0.148 6.290 1.00 0.00 H new ATOM 0 HB3 ALA B 9 9.801 0.178 7.474 1.00 0.00 H new ATOM 444 N LYS B 10 8.626 -2.465 8.306 1.00 0.00 N ATOM 445 CA LYS B 10 7.935 -3.076 9.456 1.00 0.00 C ATOM 446 C LYS B 10 8.160 -4.586 9.464 1.00 0.00 C ATOM 447 O LYS B 10 8.772 -5.125 10.363 1.00 0.00 O ATOM 448 CB LYS B 10 6.471 -2.751 9.217 1.00 0.00 C ATOM 449 CG LYS B 10 5.755 -2.556 10.550 1.00 0.00 C ATOM 450 CD LYS B 10 6.153 -1.207 11.143 1.00 0.00 C ATOM 451 CE LYS B 10 4.994 -0.653 11.975 1.00 0.00 C ATOM 452 NZ LYS B 10 5.584 0.457 12.779 1.00 0.00 N ATOM 0 H LYS B 10 8.007 -2.077 7.594 1.00 0.00 H new ATOM 0 HA LYS B 10 8.293 -2.705 10.416 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.384 -1.848 8.613 1.00 0.00 H new ATOM 0 HB3 LYS B 10 5.998 -3.557 8.655 1.00 0.00 H new ATOM 0 HG2 LYS B 10 4.675 -2.599 10.406 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.017 -3.360 11.238 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.041 -1.319 11.766 1.00 0.00 H new ATOM 0 HD3 LYS B 10 6.409 -0.509 10.346 1.00 0.00 H new ATOM 0 HE2 LYS B 10 4.188 -0.291 11.336 1.00 0.00 H new ATOM 0 HE3 LYS B 10 4.569 -1.423 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 4.846 0.884 13.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 6.343 0.082 13.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 5.975 1.179 12.140 1.00 0.00 H new ATOM 466 N LYS B 11 7.677 -5.275 8.466 1.00 0.00 N ATOM 467 CA LYS B 11 7.873 -6.746 8.435 1.00 0.00 C ATOM 468 C LYS B 11 9.340 -7.081 8.741 1.00 0.00 C ATOM 469 O LYS B 11 9.659 -8.144 9.233 1.00 0.00 O ATOM 470 CB LYS B 11 7.452 -7.174 7.019 1.00 0.00 C ATOM 471 CG LYS B 11 8.679 -7.430 6.147 1.00 0.00 C ATOM 472 CD LYS B 11 9.154 -8.868 6.357 1.00 0.00 C ATOM 473 CE LYS B 11 8.167 -9.831 5.695 1.00 0.00 C ATOM 474 NZ LYS B 11 8.540 -9.831 4.255 1.00 0.00 N ATOM 0 H LYS B 11 7.160 -4.884 7.679 1.00 0.00 H new ATOM 0 HA LYS B 11 7.285 -7.275 9.185 1.00 0.00 H new ATOM 0 HB2 LYS B 11 6.843 -8.076 7.072 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.834 -6.398 6.567 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.435 -7.265 5.098 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.475 -6.730 6.403 1.00 0.00 H new ATOM 0 HD2 LYS B 11 10.149 -9.000 5.931 1.00 0.00 H new ATOM 0 HD3 LYS B 11 9.232 -9.085 7.422 1.00 0.00 H new ATOM 0 HE2 LYS B 11 8.243 -10.831 6.123 1.00 0.00 H new ATOM 0 HE3 LYS B 11 7.138 -9.501 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 7.680 -9.774 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 9.149 -9.012 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 9.053 -10.707 4.029 1.00 0.00 H new ATOM 488 N LEU B 12 10.231 -6.175 8.443 1.00 0.00 N ATOM 489 CA LEU B 12 11.672 -6.423 8.701 1.00 0.00 C ATOM 490 C LEU B 12 11.975 -6.376 10.201 1.00 0.00 C ATOM 491 O LEU B 12 13.070 -6.687 10.629 1.00 0.00 O ATOM 492 CB LEU B 12 12.400 -5.292 7.975 1.00 0.00 C ATOM 493 CG LEU B 12 12.430 -5.585 6.475 1.00 0.00 C ATOM 494 CD1 LEU B 12 13.196 -4.477 5.755 1.00 0.00 C ATOM 495 CD2 LEU B 12 13.125 -6.927 6.234 1.00 0.00 C ATOM 0 H LEU B 12 10.018 -5.268 8.029 1.00 0.00 H new ATOM 0 HA LEU B 12 11.983 -7.408 8.353 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.897 -4.343 8.161 1.00 0.00 H new ATOM 0 HB3 LEU B 12 13.416 -5.195 8.358 1.00 0.00 H new ATOM 0 HG LEU B 12 11.411 -5.629 6.091 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.218 -4.686 4.685 1.00 0.00 H new ATOM 0 HD12 LEU B 12 12.702 -3.521 5.928 1.00 0.00 H new ATOM 0 HD13 LEU B 12 14.216 -4.433 6.137 1.00 0.00 H new ATOM 0 HD21 LEU B 12 13.148 -7.138 5.165 1.00 0.00 H new ATOM 0 HD22 LEU B 12 14.145 -6.883 6.617 1.00 0.00 H new ATOM 0 HD23 LEU B 12 12.578 -7.717 6.748 1.00 0.00 H new ATOM 507 N ILE B 13 11.025 -5.985 11.008 1.00 0.00 N ATOM 508 CA ILE B 13 11.283 -5.918 12.477 1.00 0.00 C ATOM 509 C ILE B 13 10.006 -6.149 13.268 1.00 0.00 C ATOM 510 O ILE B 13 9.664 -5.399 14.161 1.00 0.00 O ATOM 511 CB ILE B 13 11.834 -4.516 12.757 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.205 -3.482 11.817 1.00 0.00 C ATOM 513 CG2 ILE B 13 13.351 -4.514 12.569 1.00 0.00 C ATOM 514 CD1 ILE B 13 10.510 -2.401 12.648 1.00 0.00 C ATOM 0 H ILE B 13 10.087 -5.711 10.717 1.00 0.00 H new ATOM 0 HA ILE B 13 11.988 -6.692 12.780 1.00 0.00 H new ATOM 0 HB ILE B 13 11.586 -4.249 13.784 1.00 0.00 H new ATOM 0 HG12 ILE B 13 11.972 -3.034 11.185 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.487 -3.965 11.154 1.00 0.00 H new ATOM 0 HG21 ILE B 13 13.741 -3.516 12.769 1.00 0.00 H new ATOM 0 HG22 ILE B 13 13.804 -5.225 13.259 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.591 -4.799 11.545 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.061 -1.663 11.983 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.733 -2.857 13.261 1.00 0.00 H new ATOM 0 HD13 ILE B 13 11.240 -1.912 13.292 1.00 0.00 H new ATOM 526 N GLU B 14 9.300 -7.176 12.934 1.00 0.00 N ATOM 527 CA GLU B 14 8.043 -7.478 13.632 1.00 0.00 C ATOM 528 C GLU B 14 8.040 -8.921 14.149 1.00 0.00 C ATOM 529 O GLU B 14 8.246 -9.817 13.347 1.00 0.00 O ATOM 530 CB GLU B 14 7.009 -7.280 12.547 1.00 0.00 C ATOM 531 CG GLU B 14 7.043 -5.819 12.116 1.00 0.00 C ATOM 532 CD GLU B 14 5.935 -5.045 12.832 1.00 0.00 C ATOM 533 OE1 GLU B 14 4.820 -5.054 12.338 1.00 0.00 O ATOM 534 OE2 GLU B 14 6.221 -4.458 13.862 1.00 0.00 O ATOM 535 OXT GLU B 14 7.834 -9.103 15.337 1.00 0.00 O ATOM 0 H GLU B 14 9.547 -7.831 12.192 1.00 0.00 H new ATOM 0 HA GLU B 14 7.869 -6.857 14.511 1.00 0.00 H new ATOM 0 HB2 GLU B 14 7.219 -7.931 11.699 1.00 0.00 H new ATOM 0 HB3 GLU B 14 6.017 -7.545 12.914 1.00 0.00 H new ATOM 0 HG2 GLU B 14 8.014 -5.383 12.350 1.00 0.00 H new ATOM 0 HG3 GLU B 14 6.912 -5.745 11.036 1.00 0.00 H new TER 542 GLU B 14 ATOM 543 N CYS C 1 24.383 -3.512 9.036 1.00 0.00 N ATOM 544 CA CYS C 1 24.120 -3.279 7.586 1.00 0.00 C ATOM 545 C CYS C 1 22.674 -3.600 7.256 1.00 0.00 C ATOM 546 O CYS C 1 22.375 -4.417 6.408 1.00 0.00 O ATOM 547 CB CYS C 1 25.064 -4.226 6.849 1.00 0.00 C ATOM 548 SG CYS C 1 26.706 -3.471 6.729 1.00 0.00 S ATOM 0 H1 CYS C 1 25.409 -3.555 9.200 1.00 0.00 H new ATOM 0 H2 CYS C 1 23.976 -2.733 9.592 1.00 0.00 H new ATOM 0 H3 CYS C 1 23.948 -4.410 9.328 1.00 0.00 H new ATOM 0 HA CYS C 1 24.286 -2.240 7.300 1.00 0.00 H new ATOM 0 HB2 CYS C 1 25.127 -5.177 7.377 1.00 0.00 H new ATOM 0 HB3 CYS C 1 24.677 -4.440 5.853 1.00 0.00 H new ATOM 555 N TYR C 2 21.781 -2.942 7.917 1.00 0.00 N ATOM 556 CA TYR C 2 20.345 -3.160 7.662 1.00 0.00 C ATOM 557 C TYR C 2 19.581 -2.102 8.456 1.00 0.00 C ATOM 558 O TYR C 2 18.591 -1.568 8.007 1.00 0.00 O ATOM 559 CB TYR C 2 20.068 -4.600 8.132 1.00 0.00 C ATOM 560 CG TYR C 2 19.429 -4.588 9.492 1.00 0.00 C ATOM 561 CD1 TYR C 2 18.127 -4.109 9.638 1.00 0.00 C ATOM 562 CD2 TYR C 2 20.146 -5.034 10.599 1.00 0.00 C ATOM 563 CE1 TYR C 2 17.535 -4.075 10.897 1.00 0.00 C ATOM 564 CE2 TYR C 2 19.561 -5.002 11.862 1.00 0.00 C ATOM 565 CZ TYR C 2 18.251 -4.522 12.018 1.00 0.00 C ATOM 566 OH TYR C 2 17.669 -4.491 13.270 1.00 0.00 O ATOM 0 H TYR C 2 21.989 -2.250 8.636 1.00 0.00 H new ATOM 0 HA TYR C 2 20.038 -3.061 6.621 1.00 0.00 H new ATOM 0 HB2 TYR C 2 19.415 -5.103 7.420 1.00 0.00 H new ATOM 0 HB3 TYR C 2 20.999 -5.165 8.165 1.00 0.00 H new ATOM 0 HD1 TYR C 2 17.578 -3.765 8.774 1.00 0.00 H new ATOM 0 HD2 TYR C 2 21.153 -5.404 10.478 1.00 0.00 H new ATOM 0 HE1 TYR C 2 16.527 -3.705 11.011 1.00 0.00 H new ATOM 0 HE2 TYR C 2 20.115 -5.347 12.722 1.00 0.00 H new ATOM 0 HH TYR C 2 18.302 -4.837 13.934 1.00 0.00 H new ATOM 576 N LEU C 3 20.070 -1.771 9.627 1.00 0.00 N ATOM 577 CA LEU C 3 19.415 -0.713 10.435 1.00 0.00 C ATOM 578 C LEU C 3 19.067 0.433 9.503 1.00 0.00 C ATOM 579 O LEU C 3 17.976 0.970 9.511 1.00 0.00 O ATOM 580 CB LEU C 3 20.481 -0.281 11.424 1.00 0.00 C ATOM 581 CG LEU C 3 20.176 -0.850 12.790 1.00 0.00 C ATOM 582 CD1 LEU C 3 19.930 -2.352 12.683 1.00 0.00 C ATOM 583 CD2 LEU C 3 21.354 -0.585 13.728 1.00 0.00 C ATOM 0 H LEU C 3 20.896 -2.192 10.052 1.00 0.00 H new ATOM 0 HA LEU C 3 18.505 -1.038 10.939 1.00 0.00 H new ATOM 0 HB2 LEU C 3 21.460 -0.622 11.089 1.00 0.00 H new ATOM 0 HB3 LEU C 3 20.523 0.807 11.475 1.00 0.00 H new ATOM 0 HG LEU C 3 19.281 -0.371 13.188 1.00 0.00 H new ATOM 0 HD11 LEU C 3 19.711 -2.756 13.671 1.00 0.00 H new ATOM 0 HD12 LEU C 3 19.085 -2.536 12.020 1.00 0.00 H new ATOM 0 HD13 LEU C 3 20.819 -2.839 12.281 1.00 0.00 H new ATOM 0 HD21 LEU C 3 21.134 -0.995 14.713 1.00 0.00 H new ATOM 0 HD22 LEU C 3 22.251 -1.060 13.329 1.00 0.00 H new ATOM 0 HD23 LEU C 3 21.519 0.489 13.811 1.00 0.00 H new ATOM 595 N ARG C 4 20.002 0.773 8.668 1.00 0.00 N ATOM 596 CA ARG C 4 19.770 1.851 7.676 1.00 0.00 C ATOM 597 C ARG C 4 18.461 1.557 6.956 1.00 0.00 C ATOM 598 O ARG C 4 17.648 2.429 6.734 1.00 0.00 O ATOM 599 CB ARG C 4 20.946 1.772 6.691 1.00 0.00 C ATOM 600 CG ARG C 4 22.258 1.519 7.442 1.00 0.00 C ATOM 601 CD ARG C 4 22.681 0.053 7.269 1.00 0.00 C ATOM 602 NE ARG C 4 23.805 -0.134 8.229 1.00 0.00 N ATOM 603 CZ ARG C 4 24.835 0.666 8.192 1.00 0.00 C ATOM 604 NH1 ARG C 4 24.749 1.866 8.697 1.00 0.00 N ATOM 605 NH2 ARG C 4 25.954 0.263 7.649 1.00 0.00 N ATOM 0 H ARG C 4 20.927 0.345 8.630 1.00 0.00 H new ATOM 0 HA ARG C 4 19.707 2.840 8.129 1.00 0.00 H new ATOM 0 HB2 ARG C 4 20.772 0.972 5.971 1.00 0.00 H new ATOM 0 HB3 ARG C 4 21.017 2.701 6.125 1.00 0.00 H new ATOM 0 HG2 ARG C 4 23.038 2.179 7.063 1.00 0.00 H new ATOM 0 HG3 ARG C 4 22.132 1.749 8.500 1.00 0.00 H new ATOM 0 HD2 ARG C 4 21.856 -0.625 7.488 1.00 0.00 H new ATOM 0 HD3 ARG C 4 22.997 -0.150 6.246 1.00 0.00 H new ATOM 0 HE ARG C 4 23.769 -0.888 8.915 1.00 0.00 H new ATOM 0 HH11 ARG C 4 23.876 2.179 9.121 1.00 0.00 H new ATOM 0 HH12 ARG C 4 25.555 2.491 8.668 1.00 0.00 H new ATOM 0 HH21 ARG C 4 26.021 -0.676 7.255 1.00 0.00 H new ATOM 0 HH22 ARG C 4 26.760 0.887 7.619 1.00 0.00 H new ATOM 619 N ARG C 5 18.256 0.320 6.592 1.00 0.00 N ATOM 620 CA ARG C 5 16.995 -0.046 5.885 1.00 0.00 C ATOM 621 C ARG C 5 15.835 -0.209 6.878 1.00 0.00 C ATOM 622 O ARG C 5 14.708 -0.438 6.490 1.00 0.00 O ATOM 623 CB ARG C 5 17.305 -1.365 5.156 1.00 0.00 C ATOM 624 CG ARG C 5 16.857 -2.569 5.996 1.00 0.00 C ATOM 625 CD ARG C 5 17.772 -3.761 5.716 1.00 0.00 C ATOM 626 NE ARG C 5 17.022 -4.593 4.734 1.00 0.00 N ATOM 627 CZ ARG C 5 17.461 -5.779 4.410 1.00 0.00 C ATOM 628 NH1 ARG C 5 18.557 -6.245 4.947 1.00 0.00 N ATOM 629 NH2 ARG C 5 16.800 -6.503 3.547 1.00 0.00 N ATOM 0 H ARG C 5 18.905 -0.451 6.753 1.00 0.00 H new ATOM 0 HA ARG C 5 16.680 0.729 5.186 1.00 0.00 H new ATOM 0 HB2 ARG C 5 16.799 -1.380 4.191 1.00 0.00 H new ATOM 0 HB3 ARG C 5 18.374 -1.433 4.956 1.00 0.00 H new ATOM 0 HG2 ARG C 5 16.887 -2.316 7.056 1.00 0.00 H new ATOM 0 HG3 ARG C 5 15.825 -2.827 5.758 1.00 0.00 H new ATOM 0 HD2 ARG C 5 18.730 -3.437 5.310 1.00 0.00 H new ATOM 0 HD3 ARG C 5 17.984 -4.320 6.628 1.00 0.00 H new ATOM 0 HE ARG C 5 16.164 -4.235 4.314 1.00 0.00 H new ATOM 0 HH11 ARG C 5 19.073 -5.682 5.622 1.00 0.00 H new ATOM 0 HH12 ARG C 5 18.896 -7.172 4.691 1.00 0.00 H new ATOM 0 HH21 ARG C 5 15.943 -6.141 3.128 1.00 0.00 H new ATOM 0 HH22 ARG C 5 17.141 -7.430 3.292 1.00 0.00 H new ATOM 643 N PHE C 6 16.096 -0.092 8.149 1.00 0.00 N ATOM 644 CA PHE C 6 14.995 -0.241 9.141 1.00 0.00 C ATOM 645 C PHE C 6 14.642 1.126 9.741 1.00 0.00 C ATOM 646 O PHE C 6 13.495 1.525 9.759 1.00 0.00 O ATOM 647 CB PHE C 6 15.539 -1.226 10.188 1.00 0.00 C ATOM 648 CG PHE C 6 15.391 -0.688 11.579 1.00 0.00 C ATOM 649 CD1 PHE C 6 14.226 -0.943 12.299 1.00 0.00 C ATOM 650 CD2 PHE C 6 16.421 0.058 12.143 1.00 0.00 C ATOM 651 CE1 PHE C 6 14.090 -0.448 13.592 1.00 0.00 C ATOM 652 CE2 PHE C 6 16.290 0.554 13.436 1.00 0.00 C ATOM 653 CZ PHE C 6 15.122 0.304 14.167 1.00 0.00 C ATOM 0 H PHE C 6 17.017 0.099 8.543 1.00 0.00 H new ATOM 0 HA PHE C 6 14.069 -0.617 8.705 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.009 -2.175 10.106 1.00 0.00 H new ATOM 0 HB3 PHE C 6 16.591 -1.429 9.986 1.00 0.00 H new ATOM 0 HD1 PHE C 6 13.431 -1.523 11.855 1.00 0.00 H new ATOM 0 HD2 PHE C 6 17.321 0.252 11.578 1.00 0.00 H new ATOM 0 HE1 PHE C 6 13.188 -0.644 14.153 1.00 0.00 H new ATOM 0 HE2 PHE C 6 17.089 1.132 13.876 1.00 0.00 H new ATOM 0 HZ PHE C 6 15.018 0.690 15.170 1.00 0.00 H new ATOM 663 N PHE C 7 15.614 1.844 10.236 1.00 0.00 N ATOM 664 CA PHE C 7 15.317 3.170 10.829 1.00 0.00 C ATOM 665 C PHE C 7 14.935 4.162 9.727 1.00 0.00 C ATOM 666 O PHE C 7 14.294 5.164 9.974 1.00 0.00 O ATOM 667 CB PHE C 7 16.603 3.583 11.567 1.00 0.00 C ATOM 668 CG PHE C 7 17.476 4.466 10.700 1.00 0.00 C ATOM 669 CD1 PHE C 7 17.100 5.790 10.444 1.00 0.00 C ATOM 670 CD2 PHE C 7 18.667 3.962 10.164 1.00 0.00 C ATOM 671 CE1 PHE C 7 17.914 6.609 9.650 1.00 0.00 C ATOM 672 CE2 PHE C 7 19.479 4.779 9.369 1.00 0.00 C ATOM 673 CZ PHE C 7 19.104 6.104 9.112 1.00 0.00 C ATOM 0 H PHE C 7 16.596 1.567 10.253 1.00 0.00 H new ATOM 0 HA PHE C 7 14.472 3.147 11.517 1.00 0.00 H new ATOM 0 HB2 PHE C 7 16.344 4.112 12.484 1.00 0.00 H new ATOM 0 HB3 PHE C 7 17.159 2.692 11.859 1.00 0.00 H new ATOM 0 HD1 PHE C 7 16.182 6.180 10.859 1.00 0.00 H new ATOM 0 HD2 PHE C 7 18.960 2.942 10.364 1.00 0.00 H new ATOM 0 HE1 PHE C 7 17.623 7.630 9.453 1.00 0.00 H new ATOM 0 HE2 PHE C 7 20.396 4.387 8.953 1.00 0.00 H new ATOM 0 HZ PHE C 7 19.732 6.735 8.500 1.00 0.00 H new ATOM 683 N LYS C 8 15.322 3.890 8.509 1.00 0.00 N ATOM 684 CA LYS C 8 14.977 4.814 7.402 1.00 0.00 C ATOM 685 C LYS C 8 13.462 4.971 7.298 1.00 0.00 C ATOM 686 O LYS C 8 12.939 6.069 7.284 1.00 0.00 O ATOM 687 CB LYS C 8 15.535 4.161 6.148 1.00 0.00 C ATOM 688 CG LYS C 8 16.835 4.856 5.746 1.00 0.00 C ATOM 689 CD LYS C 8 17.307 4.311 4.396 1.00 0.00 C ATOM 690 CE LYS C 8 18.753 3.825 4.519 1.00 0.00 C ATOM 691 NZ LYS C 8 19.572 4.890 3.878 1.00 0.00 N ATOM 0 H LYS C 8 15.861 3.068 8.238 1.00 0.00 H new ATOM 0 HA LYS C 8 15.389 5.811 7.556 1.00 0.00 H new ATOM 0 HB2 LYS C 8 15.717 3.101 6.327 1.00 0.00 H new ATOM 0 HB3 LYS C 8 14.809 4.227 5.337 1.00 0.00 H new ATOM 0 HG2 LYS C 8 16.680 5.933 5.681 1.00 0.00 H new ATOM 0 HG3 LYS C 8 17.599 4.689 6.505 1.00 0.00 H new ATOM 0 HD2 LYS C 8 16.663 3.492 4.077 1.00 0.00 H new ATOM 0 HD3 LYS C 8 17.237 5.087 3.634 1.00 0.00 H new ATOM 0 HE2 LYS C 8 19.035 3.684 5.562 1.00 0.00 H new ATOM 0 HE3 LYS C 8 18.891 2.866 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 20.578 4.629 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 19.286 4.997 2.884 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 19.425 5.790 4.379 1.00 0.00 H new ATOM 705 N ALA C 9 12.748 3.881 7.235 1.00 0.00 N ATOM 706 CA ALA C 9 11.272 3.970 7.143 1.00 0.00 C ATOM 707 C ALA C 9 10.721 4.507 8.458 1.00 0.00 C ATOM 708 O ALA C 9 9.636 5.052 8.521 1.00 0.00 O ATOM 709 CB ALA C 9 10.796 2.539 6.902 1.00 0.00 C ATOM 0 H ALA C 9 13.127 2.934 7.244 1.00 0.00 H new ATOM 0 HA ALA C 9 10.938 4.637 6.349 1.00 0.00 H new ATOM 0 HB1 ALA C 9 9.709 2.526 6.823 1.00 0.00 H new ATOM 0 HB2 ALA C 9 11.232 2.161 5.977 1.00 0.00 H new ATOM 0 HB3 ALA C 9 11.107 1.907 7.734 1.00 0.00 H new ATOM 715 N LYS C 10 11.472 4.357 9.512 1.00 0.00 N ATOM 716 CA LYS C 10 11.023 4.847 10.831 1.00 0.00 C ATOM 717 C LYS C 10 10.927 6.374 10.827 1.00 0.00 C ATOM 718 O LYS C 10 9.859 6.937 10.958 1.00 0.00 O ATOM 719 CB LYS C 10 12.101 4.375 11.789 1.00 0.00 C ATOM 720 CG LYS C 10 11.484 4.085 13.154 1.00 0.00 C ATOM 721 CD LYS C 10 10.794 2.723 13.116 1.00 0.00 C ATOM 722 CE LYS C 10 10.438 2.289 14.540 1.00 0.00 C ATOM 723 NZ LYS C 10 9.518 1.130 14.370 1.00 0.00 N ATOM 0 H LYS C 10 12.388 3.909 9.509 1.00 0.00 H new ATOM 0 HA LYS C 10 10.035 4.478 11.105 1.00 0.00 H new ATOM 0 HB2 LYS C 10 12.581 3.478 11.398 1.00 0.00 H new ATOM 0 HB3 LYS C 10 12.876 5.136 11.883 1.00 0.00 H new ATOM 0 HG2 LYS C 10 12.255 4.093 13.924 1.00 0.00 H new ATOM 0 HG3 LYS C 10 10.766 4.862 13.414 1.00 0.00 H new ATOM 0 HD2 LYS C 10 9.893 2.777 12.505 1.00 0.00 H new ATOM 0 HD3 LYS C 10 11.449 1.985 12.653 1.00 0.00 H new ATOM 0 HE2 LYS C 10 11.329 2.007 15.101 1.00 0.00 H new ATOM 0 HE3 LYS C 10 9.957 3.097 15.091 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 9.229 0.776 15.304 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 8.676 1.430 13.838 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 10.005 0.374 13.849 1.00 0.00 H new ATOM 737 N LYS C 11 12.034 7.051 10.682 1.00 0.00 N ATOM 738 CA LYS C 11 12.000 8.540 10.675 1.00 0.00 C ATOM 739 C LYS C 11 10.848 9.037 9.800 1.00 0.00 C ATOM 740 O LYS C 11 10.240 10.054 10.073 1.00 0.00 O ATOM 741 CB LYS C 11 13.346 8.966 10.088 1.00 0.00 C ATOM 742 CG LYS C 11 14.169 9.678 11.163 1.00 0.00 C ATOM 743 CD LYS C 11 13.876 11.180 11.121 1.00 0.00 C ATOM 744 CE LYS C 11 15.182 11.962 11.285 1.00 0.00 C ATOM 745 NZ LYS C 11 14.787 13.234 11.953 1.00 0.00 N ATOM 0 H LYS C 11 12.959 6.637 10.568 1.00 0.00 H new ATOM 0 HA LYS C 11 11.843 8.955 11.671 1.00 0.00 H new ATOM 0 HB2 LYS C 11 13.886 8.094 9.719 1.00 0.00 H new ATOM 0 HB3 LYS C 11 13.190 9.628 9.236 1.00 0.00 H new ATOM 0 HG2 LYS C 11 13.926 9.277 12.147 1.00 0.00 H new ATOM 0 HG3 LYS C 11 15.232 9.500 11.000 1.00 0.00 H new ATOM 0 HD2 LYS C 11 13.400 11.442 10.176 1.00 0.00 H new ATOM 0 HD3 LYS C 11 13.178 11.447 11.915 1.00 0.00 H new ATOM 0 HE2 LYS C 11 15.902 11.407 11.887 1.00 0.00 H new ATOM 0 HE3 LYS C 11 15.652 12.152 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 15.630 13.825 12.100 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 14.107 13.744 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 14.348 13.022 12.872 1.00 0.00 H new ATOM 759 N LEU C 12 10.549 8.333 8.744 1.00 0.00 N ATOM 760 CA LEU C 12 9.449 8.762 7.845 1.00 0.00 C ATOM 761 C LEU C 12 8.095 8.675 8.558 1.00 0.00 C ATOM 762 O LEU C 12 7.103 9.193 8.082 1.00 0.00 O ATOM 763 CB LEU C 12 9.501 7.787 6.670 1.00 0.00 C ATOM 764 CG LEU C 12 10.832 7.952 5.932 1.00 0.00 C ATOM 765 CD1 LEU C 12 10.812 7.120 4.650 1.00 0.00 C ATOM 766 CD2 LEU C 12 11.040 9.426 5.579 1.00 0.00 C ATOM 0 H LEU C 12 11.024 7.474 8.466 1.00 0.00 H new ATOM 0 HA LEU C 12 9.563 9.798 7.527 1.00 0.00 H new ATOM 0 HB2 LEU C 12 9.395 6.763 7.028 1.00 0.00 H new ATOM 0 HB3 LEU C 12 8.670 7.975 5.990 1.00 0.00 H new ATOM 0 HG LEU C 12 11.646 7.613 6.572 1.00 0.00 H new ATOM 0 HD11 LEU C 12 11.760 7.238 4.125 1.00 0.00 H new ATOM 0 HD12 LEU C 12 10.664 6.069 4.900 1.00 0.00 H new ATOM 0 HD13 LEU C 12 9.998 7.458 4.009 1.00 0.00 H new ATOM 0 HD21 LEU C 12 11.988 9.544 5.053 1.00 0.00 H new ATOM 0 HD22 LEU C 12 10.225 9.765 4.939 1.00 0.00 H new ATOM 0 HD23 LEU C 12 11.055 10.020 6.493 1.00 0.00 H new ATOM 778 N ILE C 13 8.039 8.033 9.696 1.00 0.00 N ATOM 779 CA ILE C 13 6.738 7.925 10.425 1.00 0.00 C ATOM 780 C ILE C 13 6.947 8.001 11.926 1.00 0.00 C ATOM 781 O ILE C 13 6.415 7.217 12.686 1.00 0.00 O ATOM 782 CB ILE C 13 6.132 6.572 10.043 1.00 0.00 C ATOM 783 CG1 ILE C 13 7.216 5.493 9.980 1.00 0.00 C ATOM 784 CG2 ILE C 13 5.445 6.680 8.682 1.00 0.00 C ATOM 785 CD1 ILE C 13 7.204 4.682 11.278 1.00 0.00 C ATOM 0 H ILE C 13 8.832 7.581 10.151 1.00 0.00 H new ATOM 0 HA ILE C 13 6.077 8.748 10.153 1.00 0.00 H new ATOM 0 HB ILE C 13 5.402 6.294 10.803 1.00 0.00 H new ATOM 0 HG12 ILE C 13 7.042 4.837 9.127 1.00 0.00 H new ATOM 0 HG13 ILE C 13 8.194 5.953 9.835 1.00 0.00 H new ATOM 0 HG21 ILE C 13 5.015 5.715 8.414 1.00 0.00 H new ATOM 0 HG22 ILE C 13 4.654 7.428 8.732 1.00 0.00 H new ATOM 0 HG23 ILE C 13 6.175 6.974 7.928 1.00 0.00 H new ATOM 0 HD11 ILE C 13 7.976 3.913 11.234 1.00 0.00 H new ATOM 0 HD12 ILE C 13 7.399 5.344 12.122 1.00 0.00 H new ATOM 0 HD13 ILE C 13 6.229 4.211 11.404 1.00 0.00 H new ATOM 797 N GLU C 14 7.730 8.933 12.350 1.00 0.00 N ATOM 798 CA GLU C 14 8.009 9.079 13.785 1.00 0.00 C ATOM 799 C GLU C 14 7.845 10.538 14.222 1.00 0.00 C ATOM 800 O GLU C 14 6.759 10.889 14.653 1.00 0.00 O ATOM 801 CB GLU C 14 9.453 8.634 13.889 1.00 0.00 C ATOM 802 CG GLU C 14 9.541 7.163 13.498 1.00 0.00 C ATOM 803 CD GLU C 14 9.418 6.288 14.748 1.00 0.00 C ATOM 804 OE1 GLU C 14 10.350 6.278 15.534 1.00 0.00 O ATOM 805 OE2 GLU C 14 8.393 5.643 14.896 1.00 0.00 O ATOM 806 OXT GLU C 14 8.809 11.279 14.118 1.00 0.00 O ATOM 0 H GLU C 14 8.197 9.613 11.750 1.00 0.00 H new ATOM 0 HA GLU C 14 7.336 8.506 14.423 1.00 0.00 H new ATOM 0 HB2 GLU C 14 10.082 9.237 13.235 1.00 0.00 H new ATOM 0 HB3 GLU C 14 9.820 8.777 14.905 1.00 0.00 H new ATOM 0 HG2 GLU C 14 8.749 6.917 12.791 1.00 0.00 H new ATOM 0 HG3 GLU C 14 10.489 6.966 12.997 1.00 0.00 H new TER 813 GLU C 14 ATOM 814 N CYS D 1 27.475 -3.817 1.681 1.00 0.00 N ATOM 815 CA CYS D 1 26.405 -3.295 2.583 1.00 0.00 C ATOM 816 C CYS D 1 25.641 -2.179 1.895 1.00 0.00 C ATOM 817 O CYS D 1 25.575 -1.060 2.365 1.00 0.00 O ATOM 818 CB CYS D 1 27.137 -2.772 3.816 1.00 0.00 C ATOM 819 SG CYS D 1 27.435 -4.137 4.966 1.00 0.00 S ATOM 0 H1 CYS D 1 27.992 -4.581 2.162 1.00 0.00 H new ATOM 0 H2 CYS D 1 27.045 -4.186 0.809 1.00 0.00 H new ATOM 0 H3 CYS D 1 28.134 -3.049 1.444 1.00 0.00 H new ATOM 0 HA CYS D 1 25.676 -4.062 2.846 1.00 0.00 H new ATOM 0 HB2 CYS D 1 28.083 -2.316 3.524 1.00 0.00 H new ATOM 0 HB3 CYS D 1 26.545 -1.996 4.302 1.00 0.00 H new ATOM 826 N TYR D 2 25.050 -2.492 0.790 1.00 0.00 N ATOM 827 CA TYR D 2 24.261 -1.488 0.050 1.00 0.00 C ATOM 828 C TYR D 2 23.567 -2.205 -1.106 1.00 0.00 C ATOM 829 O TYR D 2 22.449 -1.898 -1.456 1.00 0.00 O ATOM 830 CB TYR D 2 25.278 -0.430 -0.419 1.00 0.00 C ATOM 831 CG TYR D 2 25.655 -0.668 -1.857 1.00 0.00 C ATOM 832 CD1 TYR D 2 24.712 -0.442 -2.862 1.00 0.00 C ATOM 833 CD2 TYR D 2 26.930 -1.128 -2.177 1.00 0.00 C ATOM 834 CE1 TYR D 2 25.042 -0.677 -4.193 1.00 0.00 C ATOM 835 CE2 TYR D 2 27.269 -1.365 -3.510 1.00 0.00 C ATOM 836 CZ TYR D 2 26.325 -1.140 -4.524 1.00 0.00 C ATOM 837 OH TYR D 2 26.657 -1.374 -5.843 1.00 0.00 O ATOM 0 H TYR D 2 25.080 -3.417 0.360 1.00 0.00 H new ATOM 0 HA TYR D 2 23.483 -1.001 0.638 1.00 0.00 H new ATOM 0 HB2 TYR D 2 24.853 0.567 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR D 2 26.168 -0.468 0.209 1.00 0.00 H new ATOM 0 HD1 TYR D 2 23.726 -0.084 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR D 2 27.655 -1.301 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR D 2 24.312 -0.503 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR D 2 28.257 -1.721 -3.761 1.00 0.00 H new ATOM 0 HH TYR D 2 27.583 -1.690 -5.896 1.00 0.00 H new ATOM 847 N LEU D 3 24.226 -3.182 -1.684 1.00 0.00 N ATOM 848 CA LEU D 3 23.602 -3.952 -2.793 1.00 0.00 C ATOM 849 C LEU D 3 22.155 -4.226 -2.419 1.00 0.00 C ATOM 850 O LEU D 3 21.235 -3.981 -3.170 1.00 0.00 O ATOM 851 CB LEU D 3 24.391 -5.247 -2.844 1.00 0.00 C ATOM 852 CG LEU D 3 25.397 -5.194 -3.972 1.00 0.00 C ATOM 853 CD1 LEU D 3 26.280 -3.957 -3.820 1.00 0.00 C ATOM 854 CD2 LEU D 3 26.266 -6.450 -3.937 1.00 0.00 C ATOM 0 H LEU D 3 25.170 -3.475 -1.431 1.00 0.00 H new ATOM 0 HA LEU D 3 23.615 -3.435 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU D 3 24.903 -5.408 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU D 3 23.715 -6.089 -2.988 1.00 0.00 H new ATOM 0 HG LEU D 3 24.869 -5.142 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU D 3 27.003 -3.924 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU D 3 25.659 -3.061 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU D 3 26.809 -4.002 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU D 3 26.992 -6.413 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU D 3 26.791 -6.502 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU D 3 25.636 -7.332 -4.053 1.00 0.00 H new ATOM 866 N ARG D 4 21.965 -4.699 -1.228 1.00 0.00 N ATOM 867 CA ARG D 4 20.587 -4.961 -0.739 1.00 0.00 C ATOM 868 C ARG D 4 19.746 -3.722 -1.019 1.00 0.00 C ATOM 869 O ARG D 4 18.638 -3.804 -1.502 1.00 0.00 O ATOM 870 CB ARG D 4 20.695 -5.182 0.780 1.00 0.00 C ATOM 871 CG ARG D 4 21.987 -5.929 1.135 1.00 0.00 C ATOM 872 CD ARG D 4 23.046 -4.927 1.622 1.00 0.00 C ATOM 873 NE ARG D 4 24.318 -5.701 1.649 1.00 0.00 N ATOM 874 CZ ARG D 4 24.390 -6.817 2.323 1.00 0.00 C ATOM 875 NH1 ARG D 4 23.920 -6.877 3.540 1.00 0.00 N ATOM 876 NH2 ARG D 4 24.931 -7.872 1.780 1.00 0.00 N ATOM 0 H ARG D 4 22.708 -4.918 -0.565 1.00 0.00 H new ATOM 0 HA ARG D 4 20.132 -5.825 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG D 4 20.673 -4.221 1.294 1.00 0.00 H new ATOM 0 HB3 ARG D 4 19.834 -5.750 1.131 1.00 0.00 H new ATOM 0 HG2 ARG D 4 21.789 -6.670 1.910 1.00 0.00 H new ATOM 0 HG3 ARG D 4 22.357 -6.470 0.264 1.00 0.00 H new ATOM 0 HD2 ARG D 4 23.118 -4.071 0.952 1.00 0.00 H new ATOM 0 HD3 ARG D 4 22.798 -4.538 2.610 1.00 0.00 H new ATOM 0 HE ARG D 4 25.134 -5.359 1.141 1.00 0.00 H new ATOM 0 HH11 ARG D 4 23.496 -6.052 3.964 1.00 0.00 H new ATOM 0 HH12 ARG D 4 23.976 -7.749 4.066 1.00 0.00 H new ATOM 0 HH21 ARG D 4 25.298 -7.825 0.829 1.00 0.00 H new ATOM 0 HH22 ARG D 4 24.988 -8.744 2.306 1.00 0.00 H new ATOM 890 N ARG D 5 20.281 -2.567 -0.717 1.00 0.00 N ATOM 891 CA ARG D 5 19.522 -1.305 -0.970 1.00 0.00 C ATOM 892 C ARG D 5 19.425 -1.026 -2.476 1.00 0.00 C ATOM 893 O ARG D 5 18.469 -0.442 -2.948 1.00 0.00 O ATOM 894 CB ARG D 5 20.308 -0.205 -0.231 1.00 0.00 C ATOM 895 CG ARG D 5 21.210 0.579 -1.197 1.00 0.00 C ATOM 896 CD ARG D 5 22.405 1.156 -0.434 1.00 0.00 C ATOM 897 NE ARG D 5 21.976 2.520 -0.020 1.00 0.00 N ATOM 898 CZ ARG D 5 22.561 3.111 0.986 1.00 0.00 C ATOM 899 NH1 ARG D 5 23.851 3.011 1.142 1.00 0.00 N ATOM 900 NH2 ARG D 5 21.853 3.802 1.838 1.00 0.00 N ATOM 0 H ARG D 5 21.207 -2.443 -0.308 1.00 0.00 H new ATOM 0 HA ARG D 5 18.494 -1.360 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG D 5 19.612 0.478 0.256 1.00 0.00 H new ATOM 0 HB3 ARG D 5 20.916 -0.654 0.554 1.00 0.00 H new ATOM 0 HG2 ARG D 5 21.558 -0.075 -1.996 1.00 0.00 H new ATOM 0 HG3 ARG D 5 20.644 1.383 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG D 5 22.655 0.541 0.431 1.00 0.00 H new ATOM 0 HD3 ARG D 5 23.294 1.196 -1.064 1.00 0.00 H new ATOM 0 HE ARG D 5 21.225 2.993 -0.523 1.00 0.00 H new ATOM 0 HH11 ARG D 5 24.405 2.470 0.477 1.00 0.00 H new ATOM 0 HH12 ARG D 5 24.307 3.473 1.929 1.00 0.00 H new ATOM 0 HH21 ARG D 5 20.843 3.880 1.717 1.00 0.00 H new ATOM 0 HH22 ARG D 5 22.310 4.264 2.624 1.00 0.00 H new ATOM 914 N PHE D 6 20.407 -1.435 -3.229 1.00 0.00 N ATOM 915 CA PHE D 6 20.371 -1.191 -4.697 1.00 0.00 C ATOM 916 C PHE D 6 19.604 -2.320 -5.396 1.00 0.00 C ATOM 917 O PHE D 6 18.644 -2.087 -6.104 1.00 0.00 O ATOM 918 CB PHE D 6 21.845 -1.153 -5.106 1.00 0.00 C ATOM 919 CG PHE D 6 22.039 -1.706 -6.481 1.00 0.00 C ATOM 920 CD1 PHE D 6 21.555 -1.009 -7.584 1.00 0.00 C ATOM 921 CD2 PHE D 6 22.722 -2.907 -6.649 1.00 0.00 C ATOM 922 CE1 PHE D 6 21.751 -1.516 -8.865 1.00 0.00 C ATOM 923 CE2 PHE D 6 22.921 -3.419 -7.927 1.00 0.00 C ATOM 924 CZ PHE D 6 22.436 -2.725 -9.042 1.00 0.00 C ATOM 0 H PHE D 6 21.233 -1.928 -2.891 1.00 0.00 H new ATOM 0 HA PHE D 6 19.858 -0.270 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE D 6 22.209 -0.126 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE D 6 22.438 -1.727 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE D 6 21.028 -0.076 -7.446 1.00 0.00 H new ATOM 0 HD2 PHE D 6 23.097 -3.441 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE D 6 21.375 -0.978 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE D 6 23.449 -4.352 -8.059 1.00 0.00 H new ATOM 0 HZ PHE D 6 22.589 -3.120 -10.035 1.00 0.00 H new ATOM 934 N PHE D 7 20.018 -3.538 -5.197 1.00 0.00 N ATOM 935 CA PHE D 7 19.322 -4.680 -5.839 1.00 0.00 C ATOM 936 C PHE D 7 17.841 -4.687 -5.463 1.00 0.00 C ATOM 937 O PHE D 7 16.995 -5.085 -6.240 1.00 0.00 O ATOM 938 CB PHE D 7 20.028 -5.911 -5.297 1.00 0.00 C ATOM 939 CG PHE D 7 20.870 -6.514 -6.389 1.00 0.00 C ATOM 940 CD1 PHE D 7 20.308 -6.750 -7.646 1.00 0.00 C ATOM 941 CD2 PHE D 7 22.213 -6.828 -6.150 1.00 0.00 C ATOM 942 CE1 PHE D 7 21.084 -7.303 -8.668 1.00 0.00 C ATOM 943 CE2 PHE D 7 22.991 -7.382 -7.172 1.00 0.00 C ATOM 944 CZ PHE D 7 22.428 -7.620 -8.432 1.00 0.00 C ATOM 0 H PHE D 7 20.815 -3.791 -4.613 1.00 0.00 H new ATOM 0 HA PHE D 7 19.359 -4.633 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE D 7 20.653 -5.642 -4.445 1.00 0.00 H new ATOM 0 HB3 PHE D 7 19.298 -6.637 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE D 7 19.272 -6.505 -7.828 1.00 0.00 H new ATOM 0 HD2 PHE D 7 22.648 -6.643 -5.179 1.00 0.00 H new ATOM 0 HE1 PHE D 7 20.648 -7.486 -9.639 1.00 0.00 H new ATOM 0 HE2 PHE D 7 24.027 -7.626 -6.989 1.00 0.00 H new ATOM 0 HZ PHE D 7 23.029 -8.047 -9.221 1.00 0.00 H new ATOM 954 N LYS D 8 17.517 -4.247 -4.279 1.00 0.00 N ATOM 955 CA LYS D 8 16.092 -4.228 -3.862 1.00 0.00 C ATOM 956 C LYS D 8 15.232 -3.611 -4.963 1.00 0.00 C ATOM 957 O LYS D 8 14.059 -3.905 -5.087 1.00 0.00 O ATOM 958 CB LYS D 8 16.064 -3.371 -2.607 1.00 0.00 C ATOM 959 CG LYS D 8 15.702 -4.236 -1.400 1.00 0.00 C ATOM 960 CD LYS D 8 14.880 -3.408 -0.413 1.00 0.00 C ATOM 961 CE LYS D 8 15.752 -3.027 0.787 1.00 0.00 C ATOM 962 NZ LYS D 8 15.338 -1.639 1.142 1.00 0.00 N ATOM 0 H LYS D 8 18.179 -3.900 -3.584 1.00 0.00 H new ATOM 0 HA LYS D 8 15.696 -5.227 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS D 8 17.036 -2.903 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS D 8 15.338 -2.566 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS D 8 15.134 -5.109 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS D 8 16.607 -4.604 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS D 8 14.503 -2.510 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS D 8 14.012 -3.977 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS D 8 15.595 -3.711 1.621 1.00 0.00 H new ATOM 0 HE3 LYS D 8 16.811 -3.070 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 15.893 -1.309 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 15.505 -1.009 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 14.327 -1.630 1.385 1.00 0.00 H new ATOM 976 N ALA D 9 15.810 -2.768 -5.772 1.00 0.00 N ATOM 977 CA ALA D 9 15.037 -2.145 -6.870 1.00 0.00 C ATOM 978 C ALA D 9 15.146 -3.021 -8.114 1.00 0.00 C ATOM 979 O ALA D 9 14.301 -2.998 -8.987 1.00 0.00 O ATOM 980 CB ALA D 9 15.690 -0.785 -7.105 1.00 0.00 C ATOM 0 H ALA D 9 16.789 -2.486 -5.716 1.00 0.00 H new ATOM 0 HA ALA D 9 13.978 -2.037 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA D 9 15.168 -0.265 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA D 9 15.634 -0.192 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA D 9 16.734 -0.926 -7.383 1.00 0.00 H new ATOM 986 N LYS D 10 16.185 -3.802 -8.186 1.00 0.00 N ATOM 987 CA LYS D 10 16.372 -4.696 -9.339 1.00 0.00 C ATOM 988 C LYS D 10 15.294 -5.775 -9.324 1.00 0.00 C ATOM 989 O LYS D 10 14.507 -5.895 -10.242 1.00 0.00 O ATOM 990 CB LYS D 10 17.746 -5.294 -9.113 1.00 0.00 C ATOM 991 CG LYS D 10 18.487 -5.417 -10.443 1.00 0.00 C ATOM 992 CD LYS D 10 19.033 -4.047 -10.843 1.00 0.00 C ATOM 993 CE LYS D 10 18.693 -3.762 -12.307 1.00 0.00 C ATOM 994 NZ LYS D 10 18.340 -2.316 -12.341 1.00 0.00 N ATOM 0 H LYS D 10 16.919 -3.853 -7.479 1.00 0.00 H new ATOM 0 HA LYS D 10 16.298 -4.191 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS D 10 18.316 -4.668 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS D 10 17.653 -6.275 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS D 10 19.302 -6.135 -10.354 1.00 0.00 H new ATOM 0 HG3 LYS D 10 17.815 -5.793 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS D 10 18.606 -3.274 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS D 10 20.113 -4.019 -10.699 1.00 0.00 H new ATOM 0 HE2 LYS D 10 19.539 -3.978 -12.959 1.00 0.00 H new ATOM 0 HE3 LYS D 10 17.862 -4.380 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 17.949 -2.076 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 17.632 -2.114 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 19.192 -1.746 -12.166 1.00 0.00 H new ATOM 1008 N LYS D 11 15.238 -6.552 -8.277 1.00 0.00 N ATOM 1009 CA LYS D 11 14.199 -7.611 -8.202 1.00 0.00 C ATOM 1010 C LYS D 11 12.828 -7.014 -8.541 1.00 0.00 C ATOM 1011 O LYS D 11 11.936 -7.699 -8.999 1.00 0.00 O ATOM 1012 CB LYS D 11 14.229 -8.098 -6.753 1.00 0.00 C ATOM 1013 CG LYS D 11 15.402 -9.063 -6.559 1.00 0.00 C ATOM 1014 CD LYS D 11 15.335 -10.172 -7.613 1.00 0.00 C ATOM 1015 CE LYS D 11 15.960 -11.450 -7.049 1.00 0.00 C ATOM 1016 NZ LYS D 11 17.337 -11.485 -7.618 1.00 0.00 N ATOM 0 H LYS D 11 15.865 -6.498 -7.475 1.00 0.00 H new ATOM 0 HA LYS D 11 14.381 -8.425 -8.904 1.00 0.00 H new ATOM 0 HB2 LYS D 11 14.327 -7.250 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS D 11 13.291 -8.596 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS D 11 16.346 -8.525 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS D 11 15.369 -9.495 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS D 11 14.299 -10.356 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS D 11 15.863 -9.863 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS D 11 15.983 -11.431 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS D 11 15.389 -12.331 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 17.832 -12.334 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 17.283 -11.509 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 17.858 -10.637 -7.318 1.00 0.00 H new ATOM 1030 N LEU D 12 12.659 -5.739 -8.311 1.00 0.00 N ATOM 1031 CA LEU D 12 11.357 -5.088 -8.604 1.00 0.00 C ATOM 1032 C LEU D 12 11.145 -4.936 -10.115 1.00 0.00 C ATOM 1033 O LEU D 12 10.073 -4.581 -10.564 1.00 0.00 O ATOM 1034 CB LEU D 12 11.445 -3.717 -7.936 1.00 0.00 C ATOM 1035 CG LEU D 12 11.174 -3.864 -6.439 1.00 0.00 C ATOM 1036 CD1 LEU D 12 11.375 -2.514 -5.752 1.00 0.00 C ATOM 1037 CD2 LEU D 12 9.733 -4.333 -6.223 1.00 0.00 C ATOM 0 H LEU D 12 13.374 -5.120 -7.930 1.00 0.00 H new ATOM 0 HA LEU D 12 10.517 -5.677 -8.234 1.00 0.00 H new ATOM 0 HB2 LEU D 12 12.432 -3.284 -8.097 1.00 0.00 H new ATOM 0 HB3 LEU D 12 10.721 -3.035 -8.383 1.00 0.00 H new ATOM 0 HG LEU D 12 11.862 -4.596 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU D 12 11.182 -2.617 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU D 12 12.400 -2.177 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU D 12 10.686 -1.784 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU D 12 9.541 -4.438 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU D 12 9.045 -3.601 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU D 12 9.586 -5.295 -6.714 1.00 0.00 H new ATOM 1049 N ILE D 13 12.151 -5.197 -10.908 1.00 0.00 N ATOM 1050 CA ILE D 13 11.980 -5.058 -12.384 1.00 0.00 C ATOM 1051 C ILE D 13 12.857 -6.048 -13.130 1.00 0.00 C ATOM 1052 O ILE D 13 13.554 -5.707 -14.065 1.00 0.00 O ATOM 1053 CB ILE D 13 12.377 -3.621 -12.734 1.00 0.00 C ATOM 1054 CG1 ILE D 13 13.576 -3.165 -11.897 1.00 0.00 C ATOM 1055 CG2 ILE D 13 11.195 -2.686 -12.471 1.00 0.00 C ATOM 1056 CD1 ILE D 13 14.815 -3.081 -12.792 1.00 0.00 C ATOM 0 H ILE D 13 13.076 -5.498 -10.601 1.00 0.00 H new ATOM 0 HA ILE D 13 10.951 -5.267 -12.675 1.00 0.00 H new ATOM 0 HB ILE D 13 12.654 -3.588 -13.788 1.00 0.00 H new ATOM 0 HG12 ILE D 13 13.372 -2.193 -11.447 1.00 0.00 H new ATOM 0 HG13 ILE D 13 13.751 -3.864 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE D 13 11.478 -1.663 -12.720 1.00 0.00 H new ATOM 0 HG22 ILE D 13 10.348 -2.988 -13.087 1.00 0.00 H new ATOM 0 HG23 ILE D 13 10.916 -2.739 -11.419 1.00 0.00 H new ATOM 0 HD11 ILE D 13 15.671 -2.757 -12.200 1.00 0.00 H new ATOM 0 HD12 ILE D 13 15.021 -4.062 -13.221 1.00 0.00 H new ATOM 0 HD13 ILE D 13 14.637 -2.365 -13.594 1.00 0.00 H new ATOM 1068 N GLU D 14 12.831 -7.269 -12.711 1.00 0.00 N ATOM 1069 CA GLU D 14 13.654 -8.301 -13.358 1.00 0.00 C ATOM 1070 C GLU D 14 12.815 -9.542 -13.675 1.00 0.00 C ATOM 1071 O GLU D 14 13.396 -10.548 -14.049 1.00 0.00 O ATOM 1072 CB GLU D 14 14.701 -8.598 -12.305 1.00 0.00 C ATOM 1073 CG GLU D 14 15.540 -7.344 -12.086 1.00 0.00 C ATOM 1074 CD GLU D 14 16.783 -7.393 -12.977 1.00 0.00 C ATOM 1075 OE1 GLU D 14 17.108 -8.470 -13.446 1.00 0.00 O ATOM 1076 OE2 GLU D 14 17.387 -6.352 -13.175 1.00 0.00 O ATOM 1077 OXT GLU D 14 11.604 -9.466 -13.536 1.00 0.00 O ATOM 0 H GLU D 14 12.262 -7.600 -11.932 1.00 0.00 H new ATOM 0 HA GLU D 14 14.081 -7.988 -14.311 1.00 0.00 H new ATOM 0 HB2 GLU D 14 14.225 -8.902 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU D 14 15.334 -9.426 -12.624 1.00 0.00 H new ATOM 0 HG2 GLU D 14 14.951 -6.456 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU D 14 15.834 -7.270 -11.039 1.00 0.00 H new TER 1084 GLU D 14