USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 1033 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -168:sc= -1.66 (180deg=-2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -28:sc= 1.14 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -158:sc= -0.0173 (180deg=-0.203) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -168:sc= -1.81 (180deg=-2.11) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -27:sc= 1.05 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -13.349 24.208 -1.603 1.00 22.50 N ATOM 19 CA LYS A 2 -12.382 23.120 -1.691 1.00 70.11 C ATOM 20 C LYS A 2 -11.067 23.608 -2.291 1.00 61.21 C ATOM 21 O LYS A 2 -10.970 24.742 -2.764 1.00 4.35 O ATOM 22 CB LYS A 2 -12.946 21.976 -2.536 1.00 75.13 C ATOM 23 CG LYS A 2 -13.325 22.392 -3.947 1.00 72.30 C ATOM 24 CD LYS A 2 -14.053 21.278 -4.681 1.00 42.20 C ATOM 25 CE LYS A 2 -14.865 21.817 -5.848 1.00 21.21 C ATOM 26 NZ LYS A 2 -14.721 20.966 -7.063 1.00 52.24 N ATOM 0 HA LYS A 2 -12.188 22.757 -0.682 1.00 70.11 H new ATOM 0 HB2 LYS A 2 -12.208 21.176 -2.588 1.00 75.13 H new ATOM 0 HB3 LYS A 2 -13.825 21.567 -2.038 1.00 75.13 H new ATOM 0 HG2 LYS A 2 -13.959 23.278 -3.908 1.00 72.30 H new ATOM 0 HG3 LYS A 2 -12.427 22.667 -4.500 1.00 72.30 H new ATOM 0 HD2 LYS A 2 -13.330 20.548 -5.046 1.00 42.20 H new ATOM 0 HD3 LYS A 2 -14.712 20.755 -3.988 1.00 42.20 H new ATOM 0 HE2 LYS A 2 -15.916 21.871 -5.565 1.00 21.21 H new ATOM 0 HE3 LYS A 2 -14.543 22.833 -6.076 1.00 21.21 H new ATOM 0 HZ1 LYS A 2 -15.289 21.366 -7.837 1.00 52.24 H new ATOM 0 HZ2 LYS A 2 -13.721 20.934 -7.348 1.00 52.24 H new ATOM 0 HZ3 LYS A 2 -15.052 20.003 -6.853 1.00 52.24 H new ATOM 40 N LYS A 3 -10.056 22.747 -2.269 1.00 34.42 N ATOM 41 CA LYS A 3 -8.747 23.088 -2.813 1.00 72.03 C ATOM 42 C LYS A 3 -7.966 21.830 -3.182 1.00 54.13 C ATOM 43 O LYS A 3 -6.803 21.677 -2.806 1.00 32.22 O ATOM 44 CB LYS A 3 -7.952 23.916 -1.801 1.00 71.33 C ATOM 45 CG LYS A 3 -8.321 25.389 -1.796 1.00 72.21 C ATOM 46 CD LYS A 3 -7.096 26.271 -1.622 1.00 3.12 C ATOM 47 CE LYS A 3 -6.689 26.924 -2.933 1.00 24.41 C ATOM 48 NZ LYS A 3 -5.387 27.638 -2.816 1.00 32.32 N ATOM 0 H LYS A 3 -10.118 21.806 -1.880 1.00 34.42 H new ATOM 0 HA LYS A 3 -8.899 23.678 -3.717 1.00 72.03 H new ATOM 0 HB2 LYS A 3 -8.112 23.507 -0.804 1.00 71.33 H new ATOM 0 HB3 LYS A 3 -6.889 23.817 -2.019 1.00 71.33 H new ATOM 0 HG2 LYS A 3 -8.823 25.642 -2.730 1.00 72.21 H new ATOM 0 HG3 LYS A 3 -9.029 25.585 -0.990 1.00 72.21 H new ATOM 0 HD2 LYS A 3 -7.304 27.042 -0.880 1.00 3.12 H new ATOM 0 HD3 LYS A 3 -6.268 25.674 -1.239 1.00 3.12 H new ATOM 0 HE2 LYS A 3 -6.618 26.164 -3.711 1.00 24.41 H new ATOM 0 HE3 LYS A 3 -7.462 27.627 -3.244 1.00 24.41 H new ATOM 0 HZ1 LYS A 3 -5.144 28.070 -3.731 1.00 32.32 H new ATOM 0 HZ2 LYS A 3 -5.462 28.381 -2.092 1.00 32.32 H new ATOM 0 HZ3 LYS A 3 -4.644 26.963 -2.544 1.00 32.32 H new ATOM 62 N LEU A 4 -8.612 20.934 -3.920 1.00 24.00 N ATOM 63 CA LEU A 4 -7.977 19.690 -4.342 1.00 11.24 C ATOM 64 C LEU A 4 -7.559 18.856 -3.135 1.00 22.10 C ATOM 65 O LEU A 4 -6.735 17.949 -3.251 1.00 4.51 O ATOM 66 CB LEU A 4 -6.759 19.987 -5.217 1.00 32.00 C ATOM 67 CG LEU A 4 -7.023 20.815 -6.475 1.00 62.43 C ATOM 68 CD1 LEU A 4 -8.298 20.352 -7.162 1.00 25.22 C ATOM 69 CD2 LEU A 4 -7.108 22.296 -6.131 1.00 22.54 C ATOM 0 H LEU A 4 -9.575 21.045 -4.238 1.00 24.00 H new ATOM 0 HA LEU A 4 -8.702 19.119 -4.922 1.00 11.24 H new ATOM 0 HB2 LEU A 4 -6.020 20.510 -4.610 1.00 32.00 H new ATOM 0 HB3 LEU A 4 -6.312 19.039 -5.517 1.00 32.00 H new ATOM 0 HG LEU A 4 -6.191 20.669 -7.163 1.00 62.43 H new ATOM 0 HD11 LEU A 4 -8.469 20.953 -8.055 1.00 25.22 H new ATOM 0 HD12 LEU A 4 -8.199 19.304 -7.444 1.00 25.22 H new ATOM 0 HD13 LEU A 4 -9.141 20.467 -6.480 1.00 25.22 H new ATOM 0 HD21 LEU A 4 -7.296 22.870 -7.038 1.00 22.54 H new ATOM 0 HD22 LEU A 4 -7.921 22.459 -5.423 1.00 22.54 H new ATOM 0 HD23 LEU A 4 -6.168 22.620 -5.685 1.00 22.54 H new ATOM 81 N ARG A 5 -8.134 19.168 -1.978 1.00 65.34 N ATOM 82 CA ARG A 5 -7.821 18.448 -0.750 1.00 23.03 C ATOM 83 C ARG A 5 -8.440 17.053 -0.766 1.00 75.45 C ATOM 84 O ARG A 5 -7.814 16.081 -0.345 1.00 33.44 O ATOM 85 CB ARG A 5 -8.325 19.226 0.466 1.00 4.40 C ATOM 86 CG ARG A 5 -7.801 20.652 0.536 1.00 60.52 C ATOM 87 CD ARG A 5 -8.859 21.609 1.066 1.00 24.34 C ATOM 88 NE ARG A 5 -8.332 22.479 2.114 1.00 35.14 N ATOM 89 CZ ARG A 5 -8.905 23.622 2.476 1.00 10.04 C ATOM 90 NH1 ARG A 5 -10.016 24.029 1.877 1.00 51.40 N ATOM 91 NH2 ARG A 5 -8.367 24.360 3.439 1.00 32.23 N ATOM 0 H ARG A 5 -8.819 19.915 -1.866 1.00 65.34 H new ATOM 0 HA ARG A 5 -6.738 18.347 -0.684 1.00 23.03 H new ATOM 0 HB2 ARG A 5 -9.415 19.249 0.446 1.00 4.40 H new ATOM 0 HB3 ARG A 5 -8.034 18.696 1.373 1.00 4.40 H new ATOM 0 HG2 ARG A 5 -6.922 20.687 1.180 1.00 60.52 H new ATOM 0 HG3 ARG A 5 -7.483 20.973 -0.456 1.00 60.52 H new ATOM 0 HD2 ARG A 5 -9.240 22.218 0.247 1.00 24.34 H new ATOM 0 HD3 ARG A 5 -9.701 21.038 1.458 1.00 24.34 H new ATOM 0 HE ARG A 5 -7.478 22.194 2.594 1.00 35.14 H new ATOM 0 HH11 ARG A 5 -10.433 23.464 1.137 1.00 51.40 H new ATOM 0 HH12 ARG A 5 -10.454 24.907 2.157 1.00 51.40 H new ATOM 0 HH21 ARG A 5 -7.513 24.050 3.902 1.00 32.23 H new ATOM 0 HH22 ARG A 5 -8.808 25.237 3.716 1.00 32.23 H new ATOM 105 N GLU A 6 -9.673 16.964 -1.254 1.00 54.32 N ATOM 106 CA GLU A 6 -10.377 15.688 -1.323 1.00 61.04 C ATOM 107 C GLU A 6 -9.544 14.647 -2.066 1.00 53.33 C ATOM 108 O GLU A 6 -9.633 13.453 -1.786 1.00 30.44 O ATOM 109 CB GLU A 6 -11.730 15.864 -2.015 1.00 72.12 C ATOM 110 CG GLU A 6 -12.429 14.552 -2.328 1.00 34.35 C ATOM 111 CD GLU A 6 -13.933 14.704 -2.443 1.00 74.21 C ATOM 112 OE1 GLU A 6 -14.387 15.770 -2.911 1.00 22.23 O ATOM 113 OE2 GLU A 6 -14.657 13.758 -2.067 1.00 23.01 O ATOM 0 H GLU A 6 -10.205 17.759 -1.607 1.00 54.32 H new ATOM 0 HA GLU A 6 -10.541 15.337 -0.304 1.00 61.04 H new ATOM 0 HB2 GLU A 6 -12.378 16.468 -1.380 1.00 72.12 H new ATOM 0 HB3 GLU A 6 -11.585 16.419 -2.942 1.00 72.12 H new ATOM 0 HG2 GLU A 6 -12.036 14.149 -3.262 1.00 34.35 H new ATOM 0 HG3 GLU A 6 -12.200 13.827 -1.547 1.00 34.35 H new ATOM 121 N GLU A 7 -8.737 15.112 -3.015 1.00 15.45 N ATOM 122 CA GLU A 7 -7.890 14.221 -3.800 1.00 21.15 C ATOM 123 C GLU A 7 -7.005 13.372 -2.891 1.00 50.13 C ATOM 124 O GLU A 7 -6.942 12.152 -3.032 1.00 31.04 O ATOM 125 CB GLU A 7 -7.022 15.028 -4.768 1.00 10.33 C ATOM 126 CG GLU A 7 -7.197 14.623 -6.222 1.00 64.03 C ATOM 127 CD GLU A 7 -5.925 14.063 -6.828 1.00 32.34 C ATOM 128 OE1 GLU A 7 -5.894 12.849 -7.121 1.00 62.31 O ATOM 129 OE2 GLU A 7 -4.961 14.835 -7.008 1.00 54.24 O ATOM 0 H GLU A 7 -8.652 16.099 -3.258 1.00 15.45 H new ATOM 0 HA GLU A 7 -8.537 13.556 -4.372 1.00 21.15 H new ATOM 0 HB2 GLU A 7 -7.262 16.086 -4.663 1.00 10.33 H new ATOM 0 HB3 GLU A 7 -5.975 14.909 -4.490 1.00 10.33 H new ATOM 0 HG2 GLU A 7 -7.989 13.877 -6.295 1.00 64.03 H new ATOM 0 HG3 GLU A 7 -7.520 15.489 -6.800 1.00 64.03 H new ATOM 137 N ALA A 8 -6.321 14.029 -1.961 1.00 42.41 N ATOM 138 CA ALA A 8 -5.440 13.337 -1.028 1.00 1.22 C ATOM 139 C ALA A 8 -6.182 12.226 -0.293 1.00 14.30 C ATOM 140 O ALA A 8 -5.584 11.235 0.121 1.00 25.21 O ATOM 141 CB ALA A 8 -4.843 14.323 -0.035 1.00 12.22 C ATOM 0 H ALA A 8 -6.360 15.040 -1.833 1.00 42.41 H new ATOM 0 HA ALA A 8 -4.632 12.881 -1.600 1.00 1.22 H new ATOM 0 HB1 ALA A 8 -4.187 13.792 0.655 1.00 12.22 H new ATOM 0 HB2 ALA A 8 -4.269 15.078 -0.572 1.00 12.22 H new ATOM 0 HB3 ALA A 8 -5.644 14.806 0.524 1.00 12.22 H new ATOM 147 N ALA A 9 -7.491 12.400 -0.134 1.00 61.11 N ATOM 148 CA ALA A 9 -8.315 11.412 0.550 1.00 74.12 C ATOM 149 C ALA A 9 -8.538 10.183 -0.325 1.00 23.14 C ATOM 150 O ALA A 9 -8.553 9.053 0.165 1.00 24.41 O ATOM 151 CB ALA A 9 -9.649 12.024 0.952 1.00 65.11 C ATOM 0 H ALA A 9 -8.002 13.216 -0.470 1.00 61.11 H new ATOM 0 HA ALA A 9 -7.787 11.095 1.449 1.00 74.12 H new ATOM 0 HB1 ALA A 9 -10.254 11.275 1.462 1.00 65.11 H new ATOM 0 HB2 ALA A 9 -9.476 12.867 1.621 1.00 65.11 H new ATOM 0 HB3 ALA A 9 -10.174 12.370 0.061 1.00 65.11 H new ATOM 157 N LYS A 10 -8.712 10.409 -1.623 1.00 64.21 N ATOM 158 CA LYS A 10 -8.933 9.320 -2.567 1.00 43.40 C ATOM 159 C LYS A 10 -7.659 8.505 -2.766 1.00 11.34 C ATOM 160 O LYS A 10 -7.714 7.308 -3.049 1.00 25.24 O ATOM 161 CB LYS A 10 -9.412 9.873 -3.911 1.00 22.20 C ATOM 162 CG LYS A 10 -10.494 10.931 -3.782 1.00 75.41 C ATOM 163 CD LYS A 10 -11.619 10.703 -4.776 1.00 33.44 C ATOM 164 CE LYS A 10 -11.439 11.549 -6.027 1.00 34.50 C ATOM 165 NZ LYS A 10 -11.977 10.869 -7.238 1.00 71.54 N ATOM 0 H LYS A 10 -8.704 11.337 -2.045 1.00 64.21 H new ATOM 0 HA LYS A 10 -9.701 8.666 -2.155 1.00 43.40 H new ATOM 0 HB2 LYS A 10 -8.561 10.298 -4.443 1.00 22.20 H new ATOM 0 HB3 LYS A 10 -9.790 9.051 -4.519 1.00 22.20 H new ATOM 0 HG2 LYS A 10 -10.895 10.920 -2.769 1.00 75.41 H new ATOM 0 HG3 LYS A 10 -10.060 11.918 -3.943 1.00 75.41 H new ATOM 0 HD2 LYS A 10 -11.655 9.649 -5.051 1.00 33.44 H new ATOM 0 HD3 LYS A 10 -12.574 10.943 -4.308 1.00 33.44 H new ATOM 0 HE2 LYS A 10 -11.943 12.506 -5.894 1.00 34.50 H new ATOM 0 HE3 LYS A 10 -10.380 11.764 -6.171 1.00 34.50 H new ATOM 0 HZ1 LYS A 10 -11.835 11.477 -8.069 1.00 71.54 H new ATOM 0 HZ2 LYS A 10 -11.479 9.967 -7.380 1.00 71.54 H new ATOM 0 HZ3 LYS A 10 -12.993 10.687 -7.111 1.00 71.54 H new ATOM 179 N LEU A 11 -6.513 9.160 -2.614 1.00 72.21 N ATOM 180 CA LEU A 11 -5.225 8.495 -2.776 1.00 52.03 C ATOM 181 C LEU A 11 -5.155 7.229 -1.929 1.00 65.02 C ATOM 182 O LEU A 11 -4.716 6.179 -2.397 1.00 34.31 O ATOM 183 CB LEU A 11 -4.088 9.443 -2.391 1.00 25.10 C ATOM 184 CG LEU A 11 -3.928 10.689 -3.263 1.00 10.11 C ATOM 185 CD1 LEU A 11 -2.686 11.468 -2.859 1.00 50.13 C ATOM 186 CD2 LEU A 11 -3.865 10.306 -4.735 1.00 3.14 C ATOM 0 H LEU A 11 -6.450 10.151 -2.379 1.00 72.21 H new ATOM 0 HA LEU A 11 -5.118 8.215 -3.824 1.00 52.03 H new ATOM 0 HB2 LEU A 11 -4.242 9.763 -1.360 1.00 25.10 H new ATOM 0 HB3 LEU A 11 -3.152 8.885 -2.415 1.00 25.10 H new ATOM 0 HG LEU A 11 -4.798 11.329 -3.112 1.00 10.11 H new ATOM 0 HD11 LEU A 11 -2.589 12.351 -3.491 1.00 50.13 H new ATOM 0 HD12 LEU A 11 -2.772 11.775 -1.817 1.00 50.13 H new ATOM 0 HD13 LEU A 11 -1.805 10.837 -2.980 1.00 50.13 H new ATOM 0 HD21 LEU A 11 -3.751 11.205 -5.340 1.00 3.14 H new ATOM 0 HD22 LEU A 11 -3.014 9.645 -4.903 1.00 3.14 H new ATOM 0 HD23 LEU A 11 -4.784 9.793 -5.017 1.00 3.14 H new ATOM 198 N PHE A 12 -5.594 7.336 -0.679 1.00 24.35 N ATOM 199 CA PHE A 12 -5.582 6.198 0.235 1.00 22.30 C ATOM 200 C PHE A 12 -6.687 5.207 -0.117 1.00 54.30 C ATOM 201 O PHE A 12 -6.557 4.007 0.121 1.00 12.51 O ATOM 202 CB PHE A 12 -5.750 6.675 1.679 1.00 65.14 C ATOM 203 CG PHE A 12 -4.630 7.556 2.154 1.00 24.41 C ATOM 204 CD1 PHE A 12 -3.309 7.186 1.954 1.00 43.01 C ATOM 205 CD2 PHE A 12 -4.896 8.753 2.799 1.00 72.12 C ATOM 206 CE1 PHE A 12 -2.276 7.994 2.391 1.00 2.41 C ATOM 207 CE2 PHE A 12 -3.868 9.565 3.237 1.00 63.43 C ATOM 208 CZ PHE A 12 -2.556 9.186 3.032 1.00 34.31 C ATOM 0 H PHE A 12 -5.962 8.198 -0.276 1.00 24.35 H new ATOM 0 HA PHE A 12 -4.621 5.694 0.136 1.00 22.30 H new ATOM 0 HB2 PHE A 12 -6.691 7.218 1.766 1.00 65.14 H new ATOM 0 HB3 PHE A 12 -5.821 5.807 2.334 1.00 65.14 H new ATOM 0 HD1 PHE A 12 -3.085 6.257 1.452 1.00 43.01 H new ATOM 0 HD2 PHE A 12 -5.920 9.055 2.961 1.00 72.12 H new ATOM 0 HE1 PHE A 12 -1.251 7.694 2.232 1.00 2.41 H new ATOM 0 HE2 PHE A 12 -4.090 10.495 3.739 1.00 63.43 H new ATOM 0 HZ PHE A 12 -1.750 9.820 3.372 1.00 34.31 H new ATOM 218 N GLU A 13 -7.775 5.720 -0.684 1.00 14.45 N ATOM 219 CA GLU A 13 -8.903 4.880 -1.067 1.00 52.51 C ATOM 220 C GLU A 13 -8.475 3.820 -2.078 1.00 74.13 C ATOM 221 O GLU A 13 -8.959 2.689 -2.049 1.00 21.10 O ATOM 222 CB GLU A 13 -10.029 5.735 -1.654 1.00 72.34 C ATOM 223 CG GLU A 13 -11.407 5.367 -1.135 1.00 52.53 C ATOM 224 CD GLU A 13 -12.490 5.533 -2.184 1.00 1.30 C ATOM 225 OE1 GLU A 13 -12.239 6.230 -3.190 1.00 44.52 O ATOM 226 OE2 GLU A 13 -13.588 4.967 -2.000 1.00 25.42 O ATOM 0 H GLU A 13 -7.898 6.712 -0.888 1.00 14.45 H new ATOM 0 HA GLU A 13 -9.267 4.377 -0.172 1.00 52.51 H new ATOM 0 HB2 GLU A 13 -9.833 6.783 -1.428 1.00 72.34 H new ATOM 0 HB3 GLU A 13 -10.021 5.636 -2.739 1.00 72.34 H new ATOM 0 HG2 GLU A 13 -11.397 4.333 -0.789 1.00 52.53 H new ATOM 0 HG3 GLU A 13 -11.644 5.989 -0.272 1.00 52.53 H new ATOM 234 N GLU A 14 -7.565 4.196 -2.970 1.00 65.42 N ATOM 235 CA GLU A 14 -7.071 3.279 -3.990 1.00 33.42 C ATOM 236 C GLU A 14 -6.103 2.264 -3.388 1.00 53.03 C ATOM 237 O GLU A 14 -6.046 1.113 -3.820 1.00 12.34 O ATOM 238 CB GLU A 14 -6.381 4.054 -5.115 1.00 2.03 C ATOM 239 CG GLU A 14 -7.179 5.248 -5.610 1.00 13.32 C ATOM 240 CD GLU A 14 -7.254 5.313 -7.123 1.00 44.33 C ATOM 241 OE1 GLU A 14 -8.382 5.333 -7.659 1.00 75.52 O ATOM 242 OE2 GLU A 14 -6.186 5.344 -7.769 1.00 74.01 O ATOM 0 H GLU A 14 -7.155 5.129 -3.007 1.00 65.42 H new ATOM 0 HA GLU A 14 -7.925 2.741 -4.401 1.00 33.42 H new ATOM 0 HB2 GLU A 14 -5.408 4.398 -4.764 1.00 2.03 H new ATOM 0 HB3 GLU A 14 -6.198 3.379 -5.951 1.00 2.03 H new ATOM 0 HG2 GLU A 14 -8.188 5.200 -5.202 1.00 13.32 H new ATOM 0 HG3 GLU A 14 -6.726 6.165 -5.233 1.00 13.32 H new ATOM 250 N TRP A 15 -5.344 2.700 -2.390 1.00 74.35 N ATOM 251 CA TRP A 15 -4.377 1.831 -1.729 1.00 15.52 C ATOM 252 C TRP A 15 -5.073 0.643 -1.074 1.00 63.10 C ATOM 253 O TRP A 15 -4.632 -0.499 -1.209 1.00 4.20 O ATOM 254 CB TRP A 15 -3.588 2.616 -0.681 1.00 50.24 C ATOM 255 CG TRP A 15 -2.249 3.081 -1.170 1.00 13.43 C ATOM 256 CD1 TRP A 15 -1.881 3.298 -2.467 1.00 25.00 C ATOM 257 CD2 TRP A 15 -1.101 3.381 -0.369 1.00 4.40 C ATOM 258 NE1 TRP A 15 -0.573 3.716 -2.520 1.00 73.51 N ATOM 259 CE2 TRP A 15 -0.072 3.776 -1.247 1.00 12.32 C ATOM 260 CE3 TRP A 15 -0.843 3.359 1.004 1.00 21.22 C ATOM 261 CZ2 TRP A 15 1.193 4.142 -0.794 1.00 53.51 C ATOM 262 CZ3 TRP A 15 0.413 3.721 1.452 1.00 41.22 C ATOM 263 CH2 TRP A 15 1.418 4.110 0.555 1.00 0.32 C ATOM 0 H TRP A 15 -5.379 3.650 -2.020 1.00 74.35 H new ATOM 0 HA TRP A 15 -3.688 1.454 -2.485 1.00 15.52 H new ATOM 0 HB2 TRP A 15 -4.173 3.481 -0.369 1.00 50.24 H new ATOM 0 HB3 TRP A 15 -3.448 1.991 0.201 1.00 50.24 H new ATOM 0 HD1 TRP A 15 -2.523 3.161 -3.325 1.00 25.00 H new ATOM 0 HE1 TRP A 15 -0.058 3.945 -3.370 1.00 73.51 H new ATOM 0 HE3 TRP A 15 -1.612 3.064 1.703 1.00 21.22 H new ATOM 0 HZ2 TRP A 15 1.969 4.441 -1.483 1.00 53.51 H new ATOM 0 HZ3 TRP A 15 0.624 3.704 2.511 1.00 41.22 H new ATOM 0 HH2 TRP A 15 2.389 4.390 0.937 1.00 0.32 H new ATOM 274 N LYS A 16 -6.162 0.918 -0.365 1.00 12.44 N ATOM 275 CA LYS A 16 -6.920 -0.129 0.311 1.00 72.30 C ATOM 276 C LYS A 16 -7.784 -0.901 -0.682 1.00 4.31 C ATOM 277 O LYS A 16 -8.091 -2.075 -0.471 1.00 11.23 O ATOM 278 CB LYS A 16 -7.801 0.476 1.406 1.00 52.03 C ATOM 279 CG LYS A 16 -8.785 -0.510 2.010 1.00 22.21 C ATOM 280 CD LYS A 16 -10.182 -0.323 1.442 1.00 62.24 C ATOM 281 CE LYS A 16 -10.904 -1.653 1.288 1.00 3.20 C ATOM 282 NZ LYS A 16 -12.375 -1.509 1.470 1.00 21.04 N ATOM 0 H LYS A 16 -6.540 1.857 -0.243 1.00 12.44 H new ATOM 0 HA LYS A 16 -6.211 -0.821 0.765 1.00 72.30 H new ATOM 0 HB2 LYS A 16 -7.163 0.870 2.197 1.00 52.03 H new ATOM 0 HB3 LYS A 16 -8.353 1.319 0.992 1.00 52.03 H new ATOM 0 HG2 LYS A 16 -8.446 -1.528 1.817 1.00 22.21 H new ATOM 0 HG3 LYS A 16 -8.811 -0.382 3.092 1.00 22.21 H new ATOM 0 HD2 LYS A 16 -10.758 0.331 2.097 1.00 62.24 H new ATOM 0 HD3 LYS A 16 -10.119 0.172 0.473 1.00 62.24 H new ATOM 0 HE2 LYS A 16 -10.699 -2.066 0.300 1.00 3.20 H new ATOM 0 HE3 LYS A 16 -10.516 -2.364 2.017 1.00 3.20 H new ATOM 0 HZ1 LYS A 16 -12.831 -2.437 1.358 1.00 21.04 H new ATOM 0 HZ2 LYS A 16 -12.572 -1.139 2.422 1.00 21.04 H new ATOM 0 HZ3 LYS A 16 -12.750 -0.850 0.758 1.00 21.04 H new ATOM 296 N LYS A 17 -8.171 -0.236 -1.765 1.00 14.51 N ATOM 297 CA LYS A 17 -8.998 -0.860 -2.791 1.00 64.33 C ATOM 298 C LYS A 17 -8.195 -1.885 -3.586 1.00 72.31 C ATOM 299 O LYS A 17 -8.602 -3.041 -3.718 1.00 60.23 O ATOM 300 CB LYS A 17 -9.564 0.203 -3.735 1.00 25.21 C ATOM 301 CG LYS A 17 -10.905 0.761 -3.289 1.00 30.34 C ATOM 302 CD LYS A 17 -12.060 0.037 -3.962 1.00 43.44 C ATOM 303 CE LYS A 17 -13.334 0.133 -3.135 1.00 62.05 C ATOM 304 NZ LYS A 17 -14.390 0.916 -3.835 1.00 43.33 N ATOM 0 H LYS A 17 -7.925 0.736 -1.955 1.00 14.51 H new ATOM 0 HA LYS A 17 -9.822 -1.374 -2.296 1.00 64.33 H new ATOM 0 HB2 LYS A 17 -8.849 1.021 -3.818 1.00 25.21 H new ATOM 0 HB3 LYS A 17 -9.672 -0.228 -4.730 1.00 25.21 H new ATOM 0 HG2 LYS A 17 -10.997 0.669 -2.207 1.00 30.34 H new ATOM 0 HG3 LYS A 17 -10.954 1.824 -3.524 1.00 30.34 H new ATOM 0 HD2 LYS A 17 -12.233 0.464 -4.950 1.00 43.44 H new ATOM 0 HD3 LYS A 17 -11.798 -1.011 -4.109 1.00 43.44 H new ATOM 0 HE2 LYS A 17 -13.706 -0.869 -2.922 1.00 62.05 H new ATOM 0 HE3 LYS A 17 -13.110 0.600 -2.176 1.00 62.05 H new ATOM 0 HZ1 LYS A 17 -15.242 0.959 -3.240 1.00 43.33 H new ATOM 0 HZ2 LYS A 17 -14.045 1.880 -4.016 1.00 43.33 H new ATOM 0 HZ3 LYS A 17 -14.622 0.456 -4.739 1.00 43.33 H new ATOM 318 N LEU A 18 -7.054 -1.456 -4.114 1.00 71.52 N ATOM 319 CA LEU A 18 -6.194 -2.337 -4.896 1.00 24.55 C ATOM 320 C LEU A 18 -5.838 -3.593 -4.106 1.00 4.22 C ATOM 321 O LEU A 18 -5.607 -4.656 -4.680 1.00 72.23 O ATOM 322 CB LEU A 18 -4.916 -1.602 -5.307 1.00 53.40 C ATOM 323 CG LEU A 18 -5.071 -0.552 -6.408 1.00 32.31 C ATOM 324 CD1 LEU A 18 -3.936 0.457 -6.347 1.00 21.33 C ATOM 325 CD2 LEU A 18 -5.123 -1.218 -7.775 1.00 62.22 C ATOM 0 H LEU A 18 -6.703 -0.503 -4.015 1.00 71.52 H new ATOM 0 HA LEU A 18 -6.740 -2.635 -5.791 1.00 24.55 H new ATOM 0 HB2 LEU A 18 -4.501 -1.116 -4.424 1.00 53.40 H new ATOM 0 HB3 LEU A 18 -4.186 -2.341 -5.637 1.00 53.40 H new ATOM 0 HG LEU A 18 -6.009 -0.021 -6.248 1.00 32.31 H new ATOM 0 HD11 LEU A 18 -4.063 1.196 -7.138 1.00 21.33 H new ATOM 0 HD12 LEU A 18 -3.945 0.957 -5.378 1.00 21.33 H new ATOM 0 HD13 LEU A 18 -2.984 -0.057 -6.481 1.00 21.33 H new ATOM 0 HD21 LEU A 18 -5.234 -0.456 -8.547 1.00 62.22 H new ATOM 0 HD22 LEU A 18 -4.201 -1.775 -7.944 1.00 62.22 H new ATOM 0 HD23 LEU A 18 -5.972 -1.901 -7.815 1.00 62.22 H new ATOM 337 N ALA A 19 -5.800 -3.462 -2.783 1.00 34.33 N ATOM 338 CA ALA A 19 -5.478 -4.587 -1.914 1.00 23.00 C ATOM 339 C ALA A 19 -6.557 -5.662 -1.983 1.00 71.13 C ATOM 340 O ALA A 19 -6.265 -6.854 -1.898 1.00 74.31 O ATOM 341 CB ALA A 19 -5.296 -4.111 -0.480 1.00 51.01 C ATOM 0 H ALA A 19 -5.988 -2.589 -2.291 1.00 34.33 H new ATOM 0 HA ALA A 19 -4.543 -5.026 -2.262 1.00 23.00 H new ATOM 0 HB1 ALA A 19 -5.056 -4.962 0.158 1.00 51.01 H new ATOM 0 HB2 ALA A 19 -4.484 -3.385 -0.438 1.00 51.01 H new ATOM 0 HB3 ALA A 19 -6.218 -3.645 -0.132 1.00 51.01 H new ATOM 347 N GLU A 20 -7.806 -5.231 -2.139 1.00 25.12 N ATOM 348 CA GLU A 20 -8.929 -6.158 -2.218 1.00 62.43 C ATOM 349 C GLU A 20 -8.722 -7.167 -3.342 1.00 33.34 C ATOM 350 O GLU A 20 -8.869 -8.373 -3.142 1.00 12.01 O ATOM 351 CB GLU A 20 -10.235 -5.392 -2.438 1.00 21.30 C ATOM 352 CG GLU A 20 -11.434 -6.023 -1.750 1.00 3.42 C ATOM 353 CD GLU A 20 -12.453 -4.997 -1.297 1.00 53.05 C ATOM 354 OE1 GLU A 20 -12.260 -4.407 -0.213 1.00 2.25 O ATOM 355 OE2 GLU A 20 -13.445 -4.783 -2.025 1.00 50.23 O ATOM 0 H GLU A 20 -8.065 -4.247 -2.213 1.00 25.12 H new ATOM 0 HA GLU A 20 -8.989 -6.700 -1.274 1.00 62.43 H new ATOM 0 HB2 GLU A 20 -10.114 -4.372 -2.074 1.00 21.30 H new ATOM 0 HB3 GLU A 20 -10.433 -5.328 -3.508 1.00 21.30 H new ATOM 0 HG2 GLU A 20 -11.911 -6.727 -2.432 1.00 3.42 H new ATOM 0 HG3 GLU A 20 -11.093 -6.596 -0.888 1.00 3.42 H new ATOM 363 N GLU A 21 -8.380 -6.666 -4.525 1.00 51.34 N ATOM 364 CA GLU A 21 -8.155 -7.525 -5.683 1.00 42.11 C ATOM 365 C GLU A 21 -6.827 -8.267 -5.559 1.00 45.54 C ATOM 366 O GLU A 21 -6.771 -9.488 -5.700 1.00 63.10 O ATOM 367 CB GLU A 21 -8.171 -6.698 -6.970 1.00 13.31 C ATOM 368 CG GLU A 21 -9.406 -5.824 -7.116 1.00 70.23 C ATOM 369 CD GLU A 21 -10.300 -6.263 -8.260 1.00 21.24 C ATOM 370 OE1 GLU A 21 -9.785 -6.420 -9.387 1.00 52.12 O ATOM 371 OE2 GLU A 21 -11.512 -6.449 -8.028 1.00 21.23 O ATOM 0 H GLU A 21 -8.253 -5.670 -4.707 1.00 51.34 H new ATOM 0 HA GLU A 21 -8.960 -8.259 -5.721 1.00 42.11 H new ATOM 0 HB2 GLU A 21 -7.283 -6.066 -6.997 1.00 13.31 H new ATOM 0 HB3 GLU A 21 -8.109 -7.371 -7.825 1.00 13.31 H new ATOM 0 HG2 GLU A 21 -9.975 -5.847 -6.186 1.00 70.23 H new ATOM 0 HG3 GLU A 21 -9.098 -4.791 -7.276 1.00 70.23 H new ATOM 379 N ALA A 22 -5.761 -7.519 -5.295 1.00 22.20 N ATOM 380 CA ALA A 22 -4.434 -8.105 -5.151 1.00 63.21 C ATOM 381 C ALA A 22 -4.439 -9.230 -4.121 1.00 61.54 C ATOM 382 O ALA A 22 -3.667 -10.182 -4.226 1.00 1.14 O ATOM 383 CB ALA A 22 -3.424 -7.035 -4.761 1.00 22.40 C ATOM 0 H ALA A 22 -5.790 -6.506 -5.177 1.00 22.20 H new ATOM 0 HA ALA A 22 -4.145 -8.529 -6.113 1.00 63.21 H new ATOM 0 HB1 ALA A 22 -2.437 -7.487 -4.657 1.00 22.40 H new ATOM 0 HB2 ALA A 22 -3.392 -6.266 -5.533 1.00 22.40 H new ATOM 0 HB3 ALA A 22 -3.719 -6.585 -3.813 1.00 22.40 H new ATOM 389 N ALA A 23 -5.314 -9.112 -3.128 1.00 20.41 N ATOM 390 CA ALA A 23 -5.420 -10.121 -2.081 1.00 51.44 C ATOM 391 C ALA A 23 -6.035 -11.408 -2.619 1.00 71.51 C ATOM 392 O ALA A 23 -5.461 -12.489 -2.479 1.00 23.20 O ATOM 393 CB ALA A 23 -6.242 -9.588 -0.916 1.00 70.04 C ATOM 0 H ALA A 23 -5.959 -8.329 -3.026 1.00 20.41 H new ATOM 0 HA ALA A 23 -4.414 -10.350 -1.728 1.00 51.44 H new ATOM 0 HB1 ALA A 23 -6.313 -10.352 -0.141 1.00 70.04 H new ATOM 0 HB2 ALA A 23 -5.760 -8.700 -0.507 1.00 70.04 H new ATOM 0 HB3 ALA A 23 -7.242 -9.330 -1.264 1.00 70.04 H new ATOM 399 N LYS A 24 -7.206 -11.287 -3.234 1.00 75.21 N ATOM 400 CA LYS A 24 -7.900 -12.440 -3.794 1.00 22.44 C ATOM 401 C LYS A 24 -7.098 -13.056 -4.936 1.00 20.01 C ATOM 402 O LYS A 24 -7.119 -14.271 -5.140 1.00 10.21 O ATOM 403 CB LYS A 24 -9.288 -12.034 -4.293 1.00 31.14 C ATOM 404 CG LYS A 24 -9.266 -10.883 -5.284 1.00 44.35 C ATOM 405 CD LYS A 24 -10.666 -10.522 -5.751 1.00 24.10 C ATOM 406 CE LYS A 24 -10.765 -10.529 -7.269 1.00 20.32 C ATOM 407 NZ LYS A 24 -11.443 -11.754 -7.774 1.00 55.52 N ATOM 0 H LYS A 24 -7.695 -10.400 -3.357 1.00 75.21 H new ATOM 0 HA LYS A 24 -8.008 -13.185 -3.006 1.00 22.44 H new ATOM 0 HB2 LYS A 24 -9.763 -12.896 -4.761 1.00 31.14 H new ATOM 0 HB3 LYS A 24 -9.905 -11.755 -3.439 1.00 31.14 H new ATOM 0 HG2 LYS A 24 -8.800 -10.013 -4.822 1.00 44.35 H new ATOM 0 HG3 LYS A 24 -8.653 -11.154 -6.144 1.00 44.35 H new ATOM 0 HD2 LYS A 24 -11.383 -11.229 -5.335 1.00 24.10 H new ATOM 0 HD3 LYS A 24 -10.934 -9.536 -5.372 1.00 24.10 H new ATOM 0 HE2 LYS A 24 -11.313 -9.647 -7.601 1.00 20.32 H new ATOM 0 HE3 LYS A 24 -9.765 -10.464 -7.699 1.00 20.32 H new ATOM 0 HZ1 LYS A 24 -11.491 -11.721 -8.812 1.00 55.52 H new ATOM 0 HZ2 LYS A 24 -10.907 -12.595 -7.479 1.00 55.52 H new ATOM 0 HZ3 LYS A 24 -12.406 -11.803 -7.384 1.00 55.52 H new ATOM 421 N LEU A 25 -6.390 -12.212 -5.678 1.00 73.14 N ATOM 422 CA LEU A 25 -5.578 -12.674 -6.799 1.00 54.12 C ATOM 423 C LEU A 25 -4.286 -13.318 -6.307 1.00 34.33 C ATOM 424 O LEU A 25 -3.847 -14.337 -6.841 1.00 22.35 O ATOM 425 CB LEU A 25 -5.255 -11.507 -7.735 1.00 13.23 C ATOM 426 CG LEU A 25 -6.034 -11.467 -9.050 1.00 33.51 C ATOM 427 CD1 LEU A 25 -5.589 -10.286 -9.898 1.00 23.51 C ATOM 428 CD2 LEU A 25 -5.855 -12.771 -9.815 1.00 14.24 C ATOM 0 H LEU A 25 -6.361 -11.204 -5.524 1.00 73.14 H new ATOM 0 HA LEU A 25 -6.150 -13.423 -7.346 1.00 54.12 H new ATOM 0 HB2 LEU A 25 -5.438 -10.576 -7.199 1.00 13.23 H new ATOM 0 HB3 LEU A 25 -4.190 -11.537 -7.967 1.00 13.23 H new ATOM 0 HG LEU A 25 -7.092 -11.345 -8.820 1.00 33.51 H new ATOM 0 HD11 LEU A 25 -6.154 -10.274 -10.830 1.00 23.51 H new ATOM 0 HD12 LEU A 25 -5.768 -9.359 -9.353 1.00 23.51 H new ATOM 0 HD13 LEU A 25 -4.526 -10.377 -10.120 1.00 23.51 H new ATOM 0 HD21 LEU A 25 -6.416 -12.725 -10.748 1.00 14.24 H new ATOM 0 HD22 LEU A 25 -4.798 -12.922 -10.034 1.00 14.24 H new ATOM 0 HD23 LEU A 25 -6.222 -13.601 -9.211 1.00 14.24 H new ATOM 440 N LEU A 26 -3.684 -12.719 -5.287 1.00 2.31 N ATOM 441 CA LEU A 26 -2.443 -13.236 -4.721 1.00 5.05 C ATOM 442 C LEU A 26 -2.566 -14.722 -4.402 1.00 14.31 C ATOM 443 O LEU A 26 -1.715 -15.523 -4.788 1.00 52.34 O ATOM 444 CB LEU A 26 -2.075 -12.461 -3.454 1.00 52.02 C ATOM 445 CG LEU A 26 -1.067 -11.325 -3.631 1.00 61.53 C ATOM 446 CD1 LEU A 26 -1.216 -10.300 -2.517 1.00 21.51 C ATOM 447 CD2 LEU A 26 0.353 -11.872 -3.670 1.00 13.54 C ATOM 0 H LEU A 26 -4.034 -11.875 -4.834 1.00 2.31 H new ATOM 0 HA LEU A 26 -1.654 -13.106 -5.462 1.00 5.05 H new ATOM 0 HB2 LEU A 26 -2.988 -12.046 -3.028 1.00 52.02 H new ATOM 0 HB3 LEU A 26 -1.674 -13.165 -2.725 1.00 52.02 H new ATOM 0 HG LEU A 26 -1.270 -10.830 -4.581 1.00 61.53 H new ATOM 0 HD11 LEU A 26 -0.490 -9.499 -2.660 1.00 21.51 H new ATOM 0 HD12 LEU A 26 -2.224 -9.885 -2.537 1.00 21.51 H new ATOM 0 HD13 LEU A 26 -1.041 -10.781 -1.554 1.00 21.51 H new ATOM 0 HD21 LEU A 26 1.057 -11.049 -3.797 1.00 13.54 H new ATOM 0 HD22 LEU A 26 0.568 -12.393 -2.737 1.00 13.54 H new ATOM 0 HD23 LEU A 26 0.453 -12.566 -4.504 1.00 13.54 H new ATOM 459 N GLU A 27 -3.635 -15.084 -3.698 1.00 31.21 N ATOM 460 CA GLU A 27 -3.871 -16.476 -3.330 1.00 33.21 C ATOM 461 C GLU A 27 -4.757 -17.168 -4.361 1.00 31.11 C ATOM 462 O GLU A 27 -5.260 -18.266 -4.125 1.00 73.12 O ATOM 463 CB GLU A 27 -4.518 -16.558 -1.946 1.00 55.15 C ATOM 464 CG GLU A 27 -3.732 -15.840 -0.862 1.00 22.13 C ATOM 465 CD GLU A 27 -2.591 -16.679 -0.319 1.00 62.43 C ATOM 466 OE1 GLU A 27 -2.080 -17.541 -1.066 1.00 12.20 O ATOM 467 OE2 GLU A 27 -2.206 -16.473 0.851 1.00 12.24 O ATOM 0 H GLU A 27 -4.350 -14.434 -3.372 1.00 31.21 H new ATOM 0 HA GLU A 27 -2.908 -16.987 -3.303 1.00 33.21 H new ATOM 0 HB2 GLU A 27 -5.521 -16.133 -1.997 1.00 55.15 H new ATOM 0 HB3 GLU A 27 -4.630 -17.606 -1.668 1.00 55.15 H new ATOM 0 HG2 GLU A 27 -3.334 -14.908 -1.263 1.00 22.13 H new ATOM 0 HG3 GLU A 27 -4.404 -15.575 -0.046 1.00 22.13 H new ATOM 475 N GLY A 28 -4.944 -16.518 -5.504 1.00 55.11 N ATOM 476 CA GLY A 28 -5.771 -17.085 -6.555 1.00 42.21 C ATOM 477 C GLY A 28 -5.259 -18.428 -7.033 1.00 24.13 C ATOM 478 O GLY A 28 -5.969 -19.164 -7.717 1.00 10.23 O ATOM 0 H GLY A 28 -4.538 -15.608 -5.723 1.00 55.11 H new ATOM 0 HA2 GLY A 28 -6.792 -17.198 -6.189 1.00 42.21 H new ATOM 0 HA3 GLY A 28 -5.809 -16.393 -7.397 1.00 42.21 H new ATOM 482 N GLY A 29 -4.019 -18.750 -6.674 1.00 41.03 N ATOM 483 CA GLY A 29 -3.433 -20.013 -7.082 1.00 20.21 C ATOM 484 C GLY A 29 -1.984 -19.870 -7.507 1.00 14.30 C ATOM 485 O GLY A 29 -1.584 -20.379 -8.553 1.00 0.20 O ATOM 0 H GLY A 29 -3.411 -18.158 -6.108 1.00 41.03 H new ATOM 0 HA2 GLY A 29 -3.498 -20.723 -6.258 1.00 20.21 H new ATOM 0 HA3 GLY A 29 -4.011 -20.428 -7.907 1.00 20.21 H new ATOM 489 N GLY A 30 -1.197 -19.172 -6.694 1.00 44.12 N ATOM 490 CA GLY A 30 0.206 -18.974 -7.010 1.00 12.11 C ATOM 491 C GLY A 30 0.950 -18.245 -5.908 1.00 74.41 C ATOM 492 O GLY A 30 1.853 -17.454 -6.179 1.00 20.21 O ATOM 0 H GLY A 30 -1.505 -18.740 -5.823 1.00 44.12 H new ATOM 0 HA2 GLY A 30 0.677 -19.942 -7.184 1.00 12.11 H new ATOM 0 HA3 GLY A 30 0.290 -18.408 -7.938 1.00 12.11 H new ATOM 496 N GLY A 31 0.569 -18.511 -4.663 1.00 21.44 N ATOM 497 CA GLY A 31 1.217 -17.865 -3.536 1.00 2.43 C ATOM 498 C GLY A 31 1.651 -18.854 -2.472 1.00 12.43 C ATOM 499 O GLY A 31 2.450 -19.751 -2.737 1.00 44.03 O ATOM 0 H GLY A 31 -0.176 -19.162 -4.414 1.00 21.44 H new ATOM 0 HA2 GLY A 31 2.087 -17.311 -3.889 1.00 2.43 H new ATOM 0 HA3 GLY A 31 0.534 -17.139 -3.096 1.00 2.43 H new ATOM 503 N GLY A 32 1.124 -18.689 -1.262 1.00 15.33 N ATOM 504 CA GLY A 32 1.475 -19.581 -0.173 1.00 50.41 C ATOM 505 C GLY A 32 0.331 -20.494 0.221 1.00 72.24 C ATOM 506 O GLY A 32 0.441 -21.715 0.125 1.00 24.52 O ATOM 0 H GLY A 32 0.461 -17.954 -1.017 1.00 15.33 H new ATOM 0 HA2 GLY A 32 2.334 -20.185 -0.465 1.00 50.41 H new ATOM 0 HA3 GLY A 32 1.779 -18.991 0.692 1.00 50.41 H new ATOM 510 N GLY A 33 -0.773 -19.900 0.666 1.00 62.11 N ATOM 511 CA GLY A 33 -1.925 -20.684 1.070 1.00 43.00 C ATOM 512 C GLY A 33 -2.760 -19.985 2.125 1.00 40.12 C ATOM 513 O GLY A 33 -3.939 -19.705 1.908 1.00 32.13 O ATOM 0 H GLY A 33 -0.889 -18.890 0.754 1.00 62.11 H new ATOM 0 HA2 GLY A 33 -2.545 -20.889 0.197 1.00 43.00 H new ATOM 0 HA3 GLY A 33 -1.589 -21.646 1.456 1.00 43.00 H new ATOM 517 N GLY A 34 -2.150 -19.704 3.272 1.00 70.31 N ATOM 518 CA GLY A 34 -2.861 -19.037 4.347 1.00 4.22 C ATOM 519 C GLY A 34 -2.015 -18.889 5.597 1.00 74.52 C ATOM 520 O GLY A 34 -2.112 -19.696 6.520 1.00 41.13 O ATOM 0 H GLY A 34 -1.176 -19.926 3.476 1.00 70.31 H new ATOM 0 HA2 GLY A 34 -3.181 -18.051 4.010 1.00 4.22 H new ATOM 0 HA3 GLY A 34 -3.763 -19.601 4.587 1.00 4.22 H new ATOM 524 N GLY A 35 -1.181 -17.853 5.625 1.00 72.03 N ATOM 525 CA GLY A 35 -0.326 -17.621 6.774 1.00 14.21 C ATOM 526 C GLY A 35 -0.140 -16.146 7.070 1.00 1.03 C ATOM 527 O GLY A 35 -0.993 -15.327 6.731 1.00 20.21 O ATOM 0 H GLY A 35 -1.083 -17.171 4.873 1.00 72.03 H new ATOM 0 HA2 GLY A 35 -0.755 -18.112 7.647 1.00 14.21 H new ATOM 0 HA3 GLY A 35 0.647 -18.078 6.597 1.00 14.21 H new ATOM 531 N GLU A 36 0.977 -15.808 7.708 1.00 31.42 N ATOM 532 CA GLU A 36 1.270 -14.422 8.051 1.00 11.42 C ATOM 533 C GLU A 36 1.666 -13.626 6.810 1.00 44.51 C ATOM 534 O GLU A 36 1.729 -12.396 6.843 1.00 14.20 O ATOM 535 CB GLU A 36 2.389 -14.356 9.093 1.00 34.42 C ATOM 536 CG GLU A 36 3.773 -14.594 8.513 1.00 64.24 C ATOM 537 CD GLU A 36 4.613 -15.520 9.370 1.00 34.35 C ATOM 538 OE1 GLU A 36 4.178 -16.667 9.605 1.00 0.24 O ATOM 539 OE2 GLU A 36 5.705 -15.100 9.805 1.00 61.31 O ATOM 0 H GLU A 36 1.693 -16.475 7.997 1.00 31.42 H new ATOM 0 HA GLU A 36 0.367 -13.980 8.471 1.00 11.42 H new ATOM 0 HB2 GLU A 36 2.369 -13.378 9.575 1.00 34.42 H new ATOM 0 HB3 GLU A 36 2.196 -15.097 9.869 1.00 34.42 H new ATOM 0 HG2 GLU A 36 3.676 -15.018 7.514 1.00 64.24 H new ATOM 0 HG3 GLU A 36 4.287 -13.639 8.405 1.00 64.24 H new ATOM 547 N LEU A 37 1.934 -14.335 5.720 1.00 11.14 N ATOM 548 CA LEU A 37 2.325 -13.697 4.469 1.00 41.22 C ATOM 549 C LEU A 37 1.337 -12.600 4.084 1.00 44.40 C ATOM 550 O LEU A 37 1.722 -11.449 3.875 1.00 0.24 O ATOM 551 CB LEU A 37 2.412 -14.735 3.349 1.00 31.31 C ATOM 552 CG LEU A 37 2.723 -14.193 1.953 1.00 42.43 C ATOM 553 CD1 LEU A 37 4.222 -14.208 1.696 1.00 42.54 C ATOM 554 CD2 LEU A 37 1.990 -15.000 0.892 1.00 75.03 C ATOM 0 H LEU A 37 1.888 -15.353 5.677 1.00 11.14 H new ATOM 0 HA LEU A 37 3.306 -13.243 4.613 1.00 41.22 H new ATOM 0 HB2 LEU A 37 3.180 -15.462 3.614 1.00 31.31 H new ATOM 0 HB3 LEU A 37 1.465 -15.273 3.305 1.00 31.31 H new ATOM 0 HG LEU A 37 2.376 -13.161 1.900 1.00 42.43 H new ATOM 0 HD11 LEU A 37 4.424 -13.819 0.698 1.00 42.54 H new ATOM 0 HD12 LEU A 37 4.724 -13.586 2.437 1.00 42.54 H new ATOM 0 HD13 LEU A 37 4.593 -15.230 1.769 1.00 42.54 H new ATOM 0 HD21 LEU A 37 2.223 -14.600 -0.095 1.00 75.03 H new ATOM 0 HD22 LEU A 37 2.305 -16.042 0.945 1.00 75.03 H new ATOM 0 HD23 LEU A 37 0.916 -14.937 1.065 1.00 75.03 H new ATOM 566 N MET A 38 0.062 -12.963 3.997 1.00 0.23 N ATOM 567 CA MET A 38 -0.982 -12.008 3.642 1.00 64.30 C ATOM 568 C MET A 38 -1.186 -10.987 4.756 1.00 5.22 C ATOM 569 O MET A 38 -1.484 -9.820 4.497 1.00 11.35 O ATOM 570 CB MET A 38 -2.296 -12.739 3.358 1.00 32.24 C ATOM 571 CG MET A 38 -3.429 -11.813 2.945 1.00 62.50 C ATOM 572 SD MET A 38 -3.436 -11.470 1.174 1.00 3.33 S ATOM 573 CE MET A 38 -4.134 -12.992 0.538 1.00 23.45 C ATOM 0 H MET A 38 -0.274 -13.911 4.167 1.00 0.23 H new ATOM 0 HA MET A 38 -0.666 -11.480 2.742 1.00 64.30 H new ATOM 0 HB2 MET A 38 -2.131 -13.473 2.569 1.00 32.24 H new ATOM 0 HB3 MET A 38 -2.595 -13.291 4.249 1.00 32.24 H new ATOM 0 HG2 MET A 38 -4.381 -12.262 3.228 1.00 62.50 H new ATOM 0 HG3 MET A 38 -3.344 -10.874 3.493 1.00 62.50 H new ATOM 0 HE1 MET A 38 -4.008 -13.026 -0.544 1.00 23.45 H new ATOM 0 HE2 MET A 38 -3.624 -13.843 0.989 1.00 23.45 H new ATOM 0 HE3 MET A 38 -5.196 -13.035 0.781 1.00 23.45 H new ATOM 583 N LYS A 39 -1.024 -11.432 5.998 1.00 2.04 N ATOM 584 CA LYS A 39 -1.189 -10.557 7.152 1.00 11.51 C ATOM 585 C LYS A 39 -0.288 -9.331 7.040 1.00 10.41 C ATOM 586 O LYS A 39 -0.609 -8.263 7.563 1.00 61.42 O ATOM 587 CB LYS A 39 -0.876 -11.317 8.443 1.00 40.30 C ATOM 588 CG LYS A 39 -0.806 -10.427 9.672 1.00 54.32 C ATOM 589 CD LYS A 39 0.625 -10.250 10.152 1.00 52.13 C ATOM 590 CE LYS A 39 0.700 -10.189 11.669 1.00 5.12 C ATOM 591 NZ LYS A 39 1.720 -11.129 12.212 1.00 45.41 N ATOM 0 H LYS A 39 -0.778 -12.394 6.231 1.00 2.04 H new ATOM 0 HA LYS A 39 -2.226 -10.222 7.177 1.00 11.51 H new ATOM 0 HB2 LYS A 39 -1.639 -12.079 8.600 1.00 40.30 H new ATOM 0 HB3 LYS A 39 0.075 -11.837 8.327 1.00 40.30 H new ATOM 0 HG2 LYS A 39 -1.237 -9.452 9.442 1.00 54.32 H new ATOM 0 HG3 LYS A 39 -1.408 -10.860 10.471 1.00 54.32 H new ATOM 0 HD2 LYS A 39 1.236 -11.076 9.789 1.00 52.13 H new ATOM 0 HD3 LYS A 39 1.041 -9.336 9.729 1.00 52.13 H new ATOM 0 HE2 LYS A 39 0.941 -9.172 11.980 1.00 5.12 H new ATOM 0 HE3 LYS A 39 -0.276 -10.429 12.091 1.00 5.12 H new ATOM 0 HZ1 LYS A 39 1.741 -11.058 13.249 1.00 45.41 H new ATOM 0 HZ2 LYS A 39 1.477 -12.102 11.937 1.00 45.41 H new ATOM 0 HZ3 LYS A 39 2.656 -10.885 11.830 1.00 45.41 H new ATOM 605 N LEU A 40 0.838 -9.492 6.354 1.00 41.12 N ATOM 606 CA LEU A 40 1.785 -8.398 6.172 1.00 53.33 C ATOM 607 C LEU A 40 1.202 -7.319 5.264 1.00 24.44 C ATOM 608 O LEU A 40 1.101 -6.155 5.652 1.00 65.31 O ATOM 609 CB LEU A 40 3.094 -8.923 5.582 1.00 32.35 C ATOM 610 CG LEU A 40 4.262 -9.065 6.560 1.00 53.54 C ATOM 611 CD1 LEU A 40 5.451 -9.725 5.879 1.00 41.23 C ATOM 612 CD2 LEU A 40 4.654 -7.706 7.122 1.00 61.20 C ATOM 0 H LEU A 40 1.117 -10.369 5.915 1.00 41.12 H new ATOM 0 HA LEU A 40 1.985 -7.957 7.149 1.00 53.33 H new ATOM 0 HB2 LEU A 40 2.902 -9.897 5.133 1.00 32.35 H new ATOM 0 HB3 LEU A 40 3.400 -8.255 4.776 1.00 32.35 H new ATOM 0 HG LEU A 40 3.944 -9.700 7.387 1.00 53.54 H new ATOM 0 HD11 LEU A 40 6.272 -9.818 6.590 1.00 41.23 H new ATOM 0 HD12 LEU A 40 5.164 -10.715 5.525 1.00 41.23 H new ATOM 0 HD13 LEU A 40 5.770 -9.116 5.033 1.00 41.23 H new ATOM 0 HD21 LEU A 40 5.486 -7.825 7.816 1.00 61.20 H new ATOM 0 HD22 LEU A 40 4.953 -7.048 6.306 1.00 61.20 H new ATOM 0 HD23 LEU A 40 3.804 -7.270 7.647 1.00 61.20 H new ATOM 624 N CYS A 41 0.818 -7.714 4.056 1.00 34.14 N ATOM 625 CA CYS A 41 0.244 -6.781 3.093 1.00 35.11 C ATOM 626 C CYS A 41 -1.122 -6.290 3.560 1.00 61.04 C ATOM 627 O CYS A 41 -1.573 -5.214 3.168 1.00 64.41 O ATOM 628 CB CYS A 41 0.117 -7.446 1.721 1.00 32.51 C ATOM 629 SG CYS A 41 -1.178 -8.705 1.626 1.00 42.11 S ATOM 0 H CYS A 41 0.894 -8.674 3.720 1.00 34.14 H new ATOM 0 HA CYS A 41 0.912 -5.923 3.013 1.00 35.11 H new ATOM 0 HB2 CYS A 41 -0.083 -6.678 0.974 1.00 32.51 H new ATOM 0 HB3 CYS A 41 1.072 -7.902 1.461 1.00 32.51 H new ATOM 0 HG CYS A 41 -1.365 -9.225 2.803 1.00 42.11 H new ATOM 635 N GLU A 42 -1.777 -7.087 4.399 1.00 63.24 N ATOM 636 CA GLU A 42 -3.093 -6.732 4.918 1.00 21.32 C ATOM 637 C GLU A 42 -3.057 -5.372 5.609 1.00 61.14 C ATOM 638 O GLU A 42 -4.075 -4.686 5.703 1.00 3.31 O ATOM 639 CB GLU A 42 -3.584 -7.800 5.897 1.00 11.13 C ATOM 640 CG GLU A 42 -4.764 -8.605 5.379 1.00 72.55 C ATOM 641 CD GLU A 42 -5.570 -9.243 6.493 1.00 13.31 C ATOM 642 OE1 GLU A 42 -6.220 -8.498 7.256 1.00 20.51 O ATOM 643 OE2 GLU A 42 -5.552 -10.487 6.602 1.00 60.21 O ATOM 0 H GLU A 42 -1.418 -7.981 4.733 1.00 63.24 H new ATOM 0 HA GLU A 42 -3.784 -6.675 4.077 1.00 21.32 H new ATOM 0 HB2 GLU A 42 -2.762 -8.480 6.122 1.00 11.13 H new ATOM 0 HB3 GLU A 42 -3.866 -7.320 6.834 1.00 11.13 H new ATOM 0 HG2 GLU A 42 -5.413 -7.955 4.793 1.00 72.55 H new ATOM 0 HG3 GLU A 42 -4.401 -9.383 4.707 1.00 72.55 H new ATOM 651 N GLU A 43 -1.879 -4.989 6.089 1.00 70.34 N ATOM 652 CA GLU A 43 -1.710 -3.711 6.772 1.00 13.34 C ATOM 653 C GLU A 43 -2.208 -2.560 5.902 1.00 10.14 C ATOM 654 O GLU A 43 -2.640 -1.526 6.411 1.00 35.24 O ATOM 655 CB GLU A 43 -0.240 -3.492 7.136 1.00 53.45 C ATOM 656 CG GLU A 43 0.351 -4.608 7.981 1.00 51.05 C ATOM 657 CD GLU A 43 0.151 -4.382 9.467 1.00 23.44 C ATOM 658 OE1 GLU A 43 -0.808 -3.674 9.836 1.00 12.14 O ATOM 659 OE2 GLU A 43 0.955 -4.915 10.261 1.00 1.10 O ATOM 0 H GLU A 43 -1.027 -5.545 6.018 1.00 70.34 H new ATOM 0 HA GLU A 43 -2.303 -3.735 7.687 1.00 13.34 H new ATOM 0 HB2 GLU A 43 0.342 -3.395 6.219 1.00 53.45 H new ATOM 0 HB3 GLU A 43 -0.145 -2.550 7.676 1.00 53.45 H new ATOM 0 HG2 GLU A 43 -0.107 -5.556 7.696 1.00 51.05 H new ATOM 0 HG3 GLU A 43 1.417 -4.693 7.770 1.00 51.05 H new ATOM 667 N ALA A 44 -2.144 -2.748 4.588 1.00 24.45 N ATOM 668 CA ALA A 44 -2.589 -1.728 3.648 1.00 51.23 C ATOM 669 C ALA A 44 -3.998 -1.250 3.982 1.00 23.24 C ATOM 670 O ALA A 44 -4.282 -0.053 3.953 1.00 25.43 O ATOM 671 CB ALA A 44 -2.533 -2.261 2.224 1.00 14.32 C ATOM 0 H ALA A 44 -1.788 -3.598 4.151 1.00 24.45 H new ATOM 0 HA ALA A 44 -1.916 -0.875 3.731 1.00 51.23 H new ATOM 0 HB1 ALA A 44 -2.868 -1.488 1.533 1.00 14.32 H new ATOM 0 HB2 ALA A 44 -1.509 -2.545 1.982 1.00 14.32 H new ATOM 0 HB3 ALA A 44 -3.182 -3.133 2.136 1.00 14.32 H new ATOM 677 N ALA A 45 -4.878 -2.195 4.297 1.00 50.50 N ATOM 678 CA ALA A 45 -6.258 -1.870 4.638 1.00 73.23 C ATOM 679 C ALA A 45 -6.353 -1.279 6.040 1.00 23.10 C ATOM 680 O ALA A 45 -7.308 -0.572 6.364 1.00 23.43 O ATOM 681 CB ALA A 45 -7.135 -3.107 4.524 1.00 33.45 C ATOM 0 H ALA A 45 -4.660 -3.191 4.323 1.00 50.50 H new ATOM 0 HA ALA A 45 -6.613 -1.120 3.932 1.00 73.23 H new ATOM 0 HB1 ALA A 45 -8.162 -2.850 4.781 1.00 33.45 H new ATOM 0 HB2 ALA A 45 -7.101 -3.484 3.502 1.00 33.45 H new ATOM 0 HB3 ALA A 45 -6.771 -3.875 5.207 1.00 33.45 H new ATOM 687 N LYS A 46 -5.358 -1.574 6.870 1.00 43.13 N ATOM 688 CA LYS A 46 -5.327 -1.071 8.238 1.00 40.22 C ATOM 689 C LYS A 46 -4.884 0.388 8.272 1.00 2.32 C ATOM 690 O LYS A 46 -5.544 1.233 8.879 1.00 64.44 O ATOM 691 CB LYS A 46 -4.385 -1.921 9.095 1.00 14.51 C ATOM 692 CG LYS A 46 -5.084 -2.640 10.236 1.00 51.10 C ATOM 693 CD LYS A 46 -5.580 -1.664 11.290 1.00 70.10 C ATOM 694 CE LYS A 46 -6.870 -2.148 11.935 1.00 64.51 C ATOM 695 NZ LYS A 46 -8.035 -1.310 11.540 1.00 73.10 N ATOM 0 H LYS A 46 -4.562 -2.160 6.618 1.00 43.13 H new ATOM 0 HA LYS A 46 -6.336 -1.135 8.645 1.00 40.22 H new ATOM 0 HB2 LYS A 46 -3.894 -2.658 8.459 1.00 14.51 H new ATOM 0 HB3 LYS A 46 -3.603 -1.281 9.504 1.00 14.51 H new ATOM 0 HG2 LYS A 46 -5.925 -3.213 9.845 1.00 51.10 H new ATOM 0 HG3 LYS A 46 -4.397 -3.353 10.693 1.00 51.10 H new ATOM 0 HD2 LYS A 46 -4.815 -1.534 12.056 1.00 70.10 H new ATOM 0 HD3 LYS A 46 -5.744 -0.687 10.835 1.00 70.10 H new ATOM 0 HE2 LYS A 46 -7.053 -3.183 11.648 1.00 64.51 H new ATOM 0 HE3 LYS A 46 -6.762 -2.132 13.020 1.00 64.51 H new ATOM 0 HZ1 LYS A 46 -8.895 -1.672 12.000 1.00 73.10 H new ATOM 0 HZ2 LYS A 46 -7.872 -0.327 11.836 1.00 73.10 H new ATOM 0 HZ3 LYS A 46 -8.154 -1.345 10.507 1.00 73.10 H new ATOM 709 N LYS A 47 -3.765 0.677 7.618 1.00 52.35 N ATOM 710 CA LYS A 47 -3.235 2.035 7.570 1.00 0.22 C ATOM 711 C LYS A 47 -4.133 2.941 6.734 1.00 70.00 C ATOM 712 O LYS A 47 -4.565 3.998 7.194 1.00 35.42 O ATOM 713 CB LYS A 47 -1.818 2.032 6.993 1.00 4.24 C ATOM 714 CG LYS A 47 -0.736 1.844 8.042 1.00 63.41 C ATOM 715 CD LYS A 47 -0.762 0.443 8.628 1.00 32.13 C ATOM 716 CE LYS A 47 0.199 0.309 9.798 1.00 3.31 C ATOM 717 NZ LYS A 47 -0.453 -0.312 10.983 1.00 4.53 N ATOM 0 H LYS A 47 -3.207 -0.011 7.113 1.00 52.35 H new ATOM 0 HA LYS A 47 -3.205 2.422 8.589 1.00 0.22 H new ATOM 0 HB2 LYS A 47 -1.737 1.236 6.253 1.00 4.24 H new ATOM 0 HB3 LYS A 47 -1.646 2.972 6.469 1.00 4.24 H new ATOM 0 HG2 LYS A 47 0.240 2.034 7.596 1.00 63.41 H new ATOM 0 HG3 LYS A 47 -0.871 2.575 8.839 1.00 63.41 H new ATOM 0 HD2 LYS A 47 -1.773 0.204 8.958 1.00 32.13 H new ATOM 0 HD3 LYS A 47 -0.499 -0.280 7.856 1.00 32.13 H new ATOM 0 HE2 LYS A 47 1.055 -0.294 9.497 1.00 3.31 H new ATOM 0 HE3 LYS A 47 0.582 1.293 10.068 1.00 3.31 H new ATOM 0 HZ1 LYS A 47 0.235 -0.386 11.759 1.00 4.53 H new ATOM 0 HZ2 LYS A 47 -1.255 0.277 11.286 1.00 4.53 H new ATOM 0 HZ3 LYS A 47 -0.796 -1.262 10.733 1.00 4.53 H new ATOM 731 N ALA A 48 -4.412 2.519 5.506 1.00 75.25 N ATOM 732 CA ALA A 48 -5.261 3.292 4.607 1.00 30.03 C ATOM 733 C ALA A 48 -6.581 3.658 5.278 1.00 3.03 C ATOM 734 O ALA A 48 -7.177 4.689 4.971 1.00 51.40 O ATOM 735 CB ALA A 48 -5.518 2.513 3.324 1.00 4.12 C ATOM 0 H ALA A 48 -4.063 1.646 5.110 1.00 75.25 H new ATOM 0 HA ALA A 48 -4.740 4.217 4.360 1.00 30.03 H new ATOM 0 HB1 ALA A 48 -6.153 3.102 2.662 1.00 4.12 H new ATOM 0 HB2 ALA A 48 -4.570 2.306 2.828 1.00 4.12 H new ATOM 0 HB3 ALA A 48 -6.015 1.573 3.563 1.00 4.12 H new ATOM 741 N GLU A 49 -7.029 2.806 6.195 1.00 22.23 N ATOM 742 CA GLU A 49 -8.279 3.041 6.908 1.00 31.23 C ATOM 743 C GLU A 49 -8.133 4.194 7.897 1.00 4.15 C ATOM 744 O GLU A 49 -9.002 5.059 7.990 1.00 64.21 O ATOM 745 CB GLU A 49 -8.717 1.774 7.646 1.00 42.00 C ATOM 746 CG GLU A 49 -9.892 1.991 8.584 1.00 51.05 C ATOM 747 CD GLU A 49 -10.976 0.944 8.415 1.00 25.11 C ATOM 748 OE1 GLU A 49 -10.745 -0.217 8.813 1.00 65.43 O ATOM 749 OE2 GLU A 49 -12.054 1.284 7.886 1.00 73.43 O ATOM 0 H GLU A 49 -6.546 1.948 6.461 1.00 22.23 H new ATOM 0 HA GLU A 49 -9.041 3.308 6.175 1.00 31.23 H new ATOM 0 HB2 GLU A 49 -8.983 1.011 6.914 1.00 42.00 H new ATOM 0 HB3 GLU A 49 -7.874 1.387 8.218 1.00 42.00 H new ATOM 0 HG2 GLU A 49 -9.537 1.977 9.614 1.00 51.05 H new ATOM 0 HG3 GLU A 49 -10.316 2.979 8.406 1.00 51.05 H new ATOM 757 N GLU A 50 -7.026 4.196 8.635 1.00 40.22 N ATOM 758 CA GLU A 50 -6.766 5.241 9.618 1.00 52.51 C ATOM 759 C GLU A 50 -6.372 6.546 8.934 1.00 42.05 C ATOM 760 O GLU A 50 -6.686 7.634 9.418 1.00 41.13 O ATOM 761 CB GLU A 50 -5.662 4.803 10.581 1.00 3.21 C ATOM 762 CG GLU A 50 -5.177 5.913 11.498 1.00 63.13 C ATOM 763 CD GLU A 50 -6.273 6.445 12.401 1.00 63.30 C ATOM 764 OE1 GLU A 50 -7.103 5.635 12.863 1.00 1.51 O ATOM 765 OE2 GLU A 50 -6.299 7.669 12.646 1.00 40.31 O ATOM 0 H GLU A 50 -6.296 3.486 8.570 1.00 40.22 H new ATOM 0 HA GLU A 50 -7.683 5.410 10.182 1.00 52.51 H new ATOM 0 HB2 GLU A 50 -6.029 3.976 11.189 1.00 3.21 H new ATOM 0 HB3 GLU A 50 -4.818 4.425 10.004 1.00 3.21 H new ATOM 0 HG2 GLU A 50 -4.356 5.540 12.110 1.00 63.13 H new ATOM 0 HG3 GLU A 50 -4.780 6.730 10.895 1.00 63.13 H new ATOM 773 N LEU A 51 -5.681 6.430 7.806 1.00 31.22 N ATOM 774 CA LEU A 51 -5.241 7.600 7.053 1.00 12.44 C ATOM 775 C LEU A 51 -6.423 8.290 6.381 1.00 53.31 C ATOM 776 O LEU A 51 -6.484 9.519 6.316 1.00 2.34 O ATOM 777 CB LEU A 51 -4.207 7.195 6.002 1.00 62.12 C ATOM 778 CG LEU A 51 -2.815 6.845 6.529 1.00 1.22 C ATOM 779 CD1 LEU A 51 -2.271 5.613 5.824 1.00 12.12 C ATOM 780 CD2 LEU A 51 -1.867 8.023 6.355 1.00 10.24 C ATOM 0 H LEU A 51 -5.413 5.537 7.392 1.00 31.22 H new ATOM 0 HA LEU A 51 -4.784 8.301 7.752 1.00 12.44 H new ATOM 0 HB2 LEU A 51 -4.593 6.335 5.454 1.00 62.12 H new ATOM 0 HB3 LEU A 51 -4.108 8.011 5.286 1.00 62.12 H new ATOM 0 HG LEU A 51 -2.896 6.623 7.593 1.00 1.22 H new ATOM 0 HD11 LEU A 51 -1.280 5.380 6.212 1.00 12.12 H new ATOM 0 HD12 LEU A 51 -2.938 4.769 6.000 1.00 12.12 H new ATOM 0 HD13 LEU A 51 -2.205 5.806 4.753 1.00 12.12 H new ATOM 0 HD21 LEU A 51 -0.881 7.756 6.736 1.00 10.24 H new ATOM 0 HD22 LEU A 51 -1.791 8.276 5.297 1.00 10.24 H new ATOM 0 HD23 LEU A 51 -2.249 8.882 6.907 1.00 10.24 H new ATOM 792 N PHE A 52 -7.363 7.494 5.884 1.00 35.54 N ATOM 793 CA PHE A 52 -8.545 8.028 5.217 1.00 20.55 C ATOM 794 C PHE A 52 -9.263 9.037 6.109 1.00 63.34 C ATOM 795 O PHE A 52 -9.883 9.983 5.622 1.00 32.14 O ATOM 796 CB PHE A 52 -9.501 6.894 4.840 1.00 24.24 C ATOM 797 CG PHE A 52 -10.825 7.373 4.322 1.00 54.23 C ATOM 798 CD1 PHE A 52 -11.870 7.638 5.192 1.00 13.43 C ATOM 799 CD2 PHE A 52 -11.026 7.562 2.963 1.00 3.41 C ATOM 800 CE1 PHE A 52 -13.091 8.079 4.718 1.00 12.23 C ATOM 801 CE2 PHE A 52 -12.245 8.003 2.484 1.00 55.21 C ATOM 802 CZ PHE A 52 -13.279 8.263 3.362 1.00 60.02 C ATOM 0 H PHE A 52 -7.330 6.476 5.930 1.00 35.54 H new ATOM 0 HA PHE A 52 -8.220 8.537 4.309 1.00 20.55 H new ATOM 0 HB2 PHE A 52 -9.029 6.268 4.083 1.00 24.24 H new ATOM 0 HB3 PHE A 52 -9.668 6.265 5.714 1.00 24.24 H new ATOM 0 HD1 PHE A 52 -11.729 7.498 6.254 1.00 13.43 H new ATOM 0 HD2 PHE A 52 -10.221 7.362 2.271 1.00 3.41 H new ATOM 0 HE1 PHE A 52 -13.898 8.280 5.407 1.00 12.23 H new ATOM 0 HE2 PHE A 52 -12.389 8.144 1.423 1.00 55.21 H new ATOM 0 HZ PHE A 52 -14.232 8.609 2.989 1.00 60.02 H new ATOM 812 N LYS A 53 -9.173 8.829 7.418 1.00 2.12 N ATOM 813 CA LYS A 53 -9.812 9.720 8.380 1.00 33.20 C ATOM 814 C LYS A 53 -9.031 11.023 8.517 1.00 74.12 C ATOM 815 O LYS A 53 -9.617 12.101 8.620 1.00 24.21 O ATOM 816 CB LYS A 53 -9.925 9.034 9.743 1.00 42.13 C ATOM 817 CG LYS A 53 -11.357 8.799 10.190 1.00 75.03 C ATOM 818 CD LYS A 53 -11.733 7.330 10.107 1.00 31.24 C ATOM 819 CE LYS A 53 -12.944 7.015 10.974 1.00 22.53 C ATOM 820 NZ LYS A 53 -13.143 5.548 11.135 1.00 22.21 N ATOM 0 H LYS A 53 -8.664 8.051 7.838 1.00 2.12 H new ATOM 0 HA LYS A 53 -10.812 9.954 8.014 1.00 33.20 H new ATOM 0 HB2 LYS A 53 -9.404 8.077 9.703 1.00 42.13 H new ATOM 0 HB3 LYS A 53 -9.416 9.643 10.490 1.00 42.13 H new ATOM 0 HG2 LYS A 53 -11.482 9.150 11.214 1.00 75.03 H new ATOM 0 HG3 LYS A 53 -12.034 9.384 9.568 1.00 75.03 H new ATOM 0 HD2 LYS A 53 -11.947 7.066 9.071 1.00 31.24 H new ATOM 0 HD3 LYS A 53 -10.888 6.718 10.424 1.00 31.24 H new ATOM 0 HE2 LYS A 53 -12.818 7.474 11.954 1.00 22.53 H new ATOM 0 HE3 LYS A 53 -13.835 7.456 10.527 1.00 22.53 H new ATOM 0 HZ1 LYS A 53 -13.977 5.374 11.732 1.00 22.21 H new ATOM 0 HZ2 LYS A 53 -13.288 5.113 10.202 1.00 22.21 H new ATOM 0 HZ3 LYS A 53 -12.303 5.131 11.584 1.00 22.21 H new ATOM 834 N LEU A 54 -7.707 10.916 8.516 1.00 63.45 N ATOM 835 CA LEU A 54 -6.845 12.087 8.639 1.00 75.42 C ATOM 836 C LEU A 54 -7.097 13.071 7.501 1.00 14.33 C ATOM 837 O LEU A 54 -6.852 14.269 7.638 1.00 74.40 O ATOM 838 CB LEU A 54 -5.375 11.664 8.645 1.00 43.01 C ATOM 839 CG LEU A 54 -4.604 11.935 9.937 1.00 51.31 C ATOM 840 CD1 LEU A 54 -4.598 13.422 10.253 1.00 24.01 C ATOM 841 CD2 LEU A 54 -5.203 11.145 11.092 1.00 35.15 C ATOM 0 H LEU A 54 -7.207 10.031 8.431 1.00 63.45 H new ATOM 0 HA LEU A 54 -7.079 12.582 9.582 1.00 75.42 H new ATOM 0 HB2 LEU A 54 -5.324 10.596 8.432 1.00 43.01 H new ATOM 0 HB3 LEU A 54 -4.867 12.176 7.828 1.00 43.01 H new ATOM 0 HG LEU A 54 -3.573 11.610 9.797 1.00 51.31 H new ATOM 0 HD11 LEU A 54 -4.045 13.596 11.176 1.00 24.01 H new ATOM 0 HD12 LEU A 54 -4.122 13.965 9.437 1.00 24.01 H new ATOM 0 HD13 LEU A 54 -5.623 13.773 10.373 1.00 24.01 H new ATOM 0 HD21 LEU A 54 -4.641 11.350 12.003 1.00 35.15 H new ATOM 0 HD22 LEU A 54 -6.243 11.439 11.233 1.00 35.15 H new ATOM 0 HD23 LEU A 54 -5.154 10.079 10.868 1.00 35.15 H new ATOM 853 N ALA A 55 -7.592 12.556 6.380 1.00 72.15 N ATOM 854 CA ALA A 55 -7.882 13.390 5.220 1.00 54.14 C ATOM 855 C ALA A 55 -9.054 14.326 5.496 1.00 0.42 C ATOM 856 O ALA A 55 -9.124 15.427 4.950 1.00 33.42 O ATOM 857 CB ALA A 55 -8.172 12.522 4.004 1.00 40.50 C ATOM 0 H ALA A 55 -7.800 11.566 6.251 1.00 72.15 H new ATOM 0 HA ALA A 55 -7.003 14.001 5.015 1.00 54.14 H new ATOM 0 HB1 ALA A 55 -8.387 13.158 3.146 1.00 40.50 H new ATOM 0 HB2 ALA A 55 -7.304 11.899 3.786 1.00 40.50 H new ATOM 0 HB3 ALA A 55 -9.033 11.886 4.208 1.00 40.50 H new ATOM 863 N GLU A 56 -9.975 13.880 6.346 1.00 23.43 N ATOM 864 CA GLU A 56 -11.145 14.678 6.692 1.00 4.01 C ATOM 865 C GLU A 56 -10.733 16.070 7.165 1.00 33.21 C ATOM 866 O GLU A 56 -11.433 17.051 6.917 1.00 40.44 O ATOM 867 CB GLU A 56 -11.962 13.979 7.782 1.00 73.44 C ATOM 868 CG GLU A 56 -13.155 14.789 8.259 1.00 1.43 C ATOM 869 CD GLU A 56 -13.778 14.220 9.520 1.00 44.14 C ATOM 870 OE1 GLU A 56 -13.019 13.775 10.407 1.00 14.31 O ATOM 871 OE2 GLU A 56 -15.023 14.220 9.620 1.00 32.42 O ATOM 0 H GLU A 56 -9.933 12.971 6.807 1.00 23.43 H new ATOM 0 HA GLU A 56 -11.759 14.783 5.798 1.00 4.01 H new ATOM 0 HB2 GLU A 56 -12.313 13.019 7.403 1.00 73.44 H new ATOM 0 HB3 GLU A 56 -11.313 13.768 8.632 1.00 73.44 H new ATOM 0 HG2 GLU A 56 -12.842 15.816 8.444 1.00 1.43 H new ATOM 0 HG3 GLU A 56 -13.906 14.822 7.470 1.00 1.43 H new ATOM 879 N GLU A 57 -9.594 16.145 7.846 1.00 74.24 N ATOM 880 CA GLU A 57 -9.091 17.416 8.353 1.00 24.10 C ATOM 881 C GLU A 57 -8.715 18.350 7.205 1.00 4.43 C ATOM 882 O GLU A 57 -9.017 19.543 7.238 1.00 4.24 O ATOM 883 CB GLU A 57 -7.877 17.186 9.256 1.00 11.00 C ATOM 884 CG GLU A 57 -7.430 18.431 10.003 1.00 22.41 C ATOM 885 CD GLU A 57 -7.233 18.180 11.486 1.00 44.43 C ATOM 886 OE1 GLU A 57 -6.250 17.500 11.847 1.00 12.35 O ATOM 887 OE2 GLU A 57 -8.061 18.666 12.285 1.00 64.33 O ATOM 0 H GLU A 57 -9.003 15.342 8.059 1.00 74.24 H new ATOM 0 HA GLU A 57 -9.884 17.885 8.935 1.00 24.10 H new ATOM 0 HB2 GLU A 57 -8.115 16.405 9.978 1.00 11.00 H new ATOM 0 HB3 GLU A 57 -7.049 16.819 8.650 1.00 11.00 H new ATOM 0 HG2 GLU A 57 -6.497 18.794 9.572 1.00 22.41 H new ATOM 0 HG3 GLU A 57 -8.171 19.218 9.866 1.00 22.41 H new ATOM 895 N ARG A 58 -8.055 17.797 6.193 1.00 72.14 N ATOM 896 CA ARG A 58 -7.637 18.580 5.037 1.00 72.24 C ATOM 897 C ARG A 58 -8.812 18.833 4.097 1.00 75.44 C ATOM 898 O ARG A 58 -8.822 19.812 3.348 1.00 12.34 O ATOM 899 CB ARG A 58 -6.516 17.860 4.286 1.00 24.41 C ATOM 900 CG ARG A 58 -5.239 17.707 5.097 1.00 3.21 C ATOM 901 CD ARG A 58 -5.225 16.397 5.871 1.00 45.43 C ATOM 902 NE ARG A 58 -3.916 16.123 6.459 1.00 14.32 N ATOM 903 CZ ARG A 58 -3.435 16.767 7.516 1.00 50.00 C ATOM 904 NH1 ARG A 58 -4.151 17.719 8.099 1.00 13.01 N ATOM 905 NH2 ARG A 58 -2.235 16.461 7.992 1.00 10.03 N ATOM 0 H ARG A 58 -7.798 16.811 6.150 1.00 72.14 H new ATOM 0 HA ARG A 58 -7.267 19.541 5.395 1.00 72.24 H new ATOM 0 HB2 ARG A 58 -6.867 16.872 3.987 1.00 24.41 H new ATOM 0 HB3 ARG A 58 -6.292 18.409 3.372 1.00 24.41 H new ATOM 0 HG2 ARG A 58 -4.377 17.747 4.431 1.00 3.21 H new ATOM 0 HG3 ARG A 58 -5.145 18.542 5.791 1.00 3.21 H new ATOM 0 HD2 ARG A 58 -5.976 16.434 6.660 1.00 45.43 H new ATOM 0 HD3 ARG A 58 -5.502 15.580 5.205 1.00 45.43 H new ATOM 0 HE ARG A 58 -3.340 15.397 6.034 1.00 14.32 H new ATOM 0 HH11 ARG A 58 -5.074 17.958 7.736 1.00 13.01 H new ATOM 0 HH12 ARG A 58 -3.779 18.212 8.911 1.00 13.01 H new ATOM 0 HH21 ARG A 58 -1.681 15.730 7.546 1.00 10.03 H new ATOM 0 HH22 ARG A 58 -1.867 16.957 8.804 1.00 10.03 H new ATOM 919 N LEU A 59 -9.799 17.946 4.140 1.00 11.42 N ATOM 920 CA LEU A 59 -10.979 18.072 3.293 1.00 1.43 C ATOM 921 C LEU A 59 -12.021 18.979 3.941 1.00 72.41 C ATOM 922 O LEU A 59 -12.216 20.119 3.518 1.00 1.45 O ATOM 923 CB LEU A 59 -11.586 16.693 3.021 1.00 41.03 C ATOM 924 CG LEU A 59 -12.830 16.672 2.132 1.00 34.02 C ATOM 925 CD1 LEU A 59 -12.769 17.788 1.100 1.00 3.13 C ATOM 926 CD2 LEU A 59 -12.974 15.319 1.450 1.00 72.31 C ATOM 0 H LEU A 59 -9.806 17.131 4.753 1.00 11.42 H new ATOM 0 HA LEU A 59 -10.671 18.520 2.348 1.00 1.43 H new ATOM 0 HB2 LEU A 59 -10.823 16.067 2.559 1.00 41.03 H new ATOM 0 HB3 LEU A 59 -11.839 16.234 3.977 1.00 41.03 H new ATOM 0 HG LEU A 59 -13.705 16.835 2.761 1.00 34.02 H new ATOM 0 HD11 LEU A 59 -13.663 17.757 0.477 1.00 3.13 H new ATOM 0 HD12 LEU A 59 -12.714 18.751 1.608 1.00 3.13 H new ATOM 0 HD13 LEU A 59 -11.886 17.657 0.475 1.00 3.13 H new ATOM 0 HD21 LEU A 59 -13.864 15.321 0.821 1.00 72.31 H new ATOM 0 HD22 LEU A 59 -12.095 15.127 0.834 1.00 72.31 H new ATOM 0 HD23 LEU A 59 -13.065 14.539 2.205 1.00 72.31 H new ATOM 938 N LYS A 60 -12.686 18.466 4.970 1.00 43.53 N ATOM 939 CA LYS A 60 -13.705 19.231 5.680 1.00 1.13 C ATOM 940 C LYS A 60 -13.187 19.699 7.037 1.00 74.42 C ATOM 941 O LYS A 60 -12.021 19.492 7.373 1.00 12.23 O ATOM 942 CB LYS A 60 -14.967 18.385 5.868 1.00 24.30 C ATOM 943 CG LYS A 60 -14.683 16.951 6.281 1.00 73.21 C ATOM 944 CD LYS A 60 -14.876 15.988 5.121 1.00 41.24 C ATOM 945 CE LYS A 60 -15.640 14.746 5.550 1.00 51.43 C ATOM 946 NZ LYS A 60 -16.430 14.166 4.428 1.00 1.31 N ATOM 0 H LYS A 60 -12.538 17.524 5.331 1.00 43.53 H new ATOM 0 HA LYS A 60 -13.948 20.109 5.081 1.00 1.13 H new ATOM 0 HB2 LYS A 60 -15.599 18.853 6.623 1.00 24.30 H new ATOM 0 HB3 LYS A 60 -15.533 18.381 4.937 1.00 24.30 H new ATOM 0 HG2 LYS A 60 -13.661 16.874 6.653 1.00 73.21 H new ATOM 0 HG3 LYS A 60 -15.343 16.670 7.102 1.00 73.21 H new ATOM 0 HD2 LYS A 60 -15.415 16.489 4.317 1.00 41.24 H new ATOM 0 HD3 LYS A 60 -13.904 15.699 4.721 1.00 41.24 H new ATOM 0 HE2 LYS A 60 -14.939 14.000 5.925 1.00 51.43 H new ATOM 0 HE3 LYS A 60 -16.309 14.997 6.373 1.00 51.43 H new ATOM 0 HZ1 LYS A 60 -16.937 13.321 4.761 1.00 1.31 H new ATOM 0 HZ2 LYS A 60 -17.116 14.869 4.087 1.00 1.31 H new ATOM 0 HZ3 LYS A 60 -15.789 13.903 3.652 1.00 1.31 H new ATOM 960 N LYS A 61 -14.062 20.329 7.813 1.00 44.35 N ATOM 961 CA LYS A 61 -13.696 20.824 9.134 1.00 44.23 C ATOM 962 C LYS A 61 -14.213 19.895 10.226 1.00 4.23 C ATOM 963 O LYS A 61 -14.503 20.331 11.341 1.00 0.43 O ATOM 964 CB LYS A 61 -14.251 22.235 9.346 1.00 74.51 C ATOM 965 CG LYS A 61 -13.583 23.288 8.477 1.00 14.34 C ATOM 966 CD LYS A 61 -12.970 24.396 9.316 1.00 2.13 C ATOM 967 CE LYS A 61 -11.840 25.096 8.576 1.00 30.13 C ATOM 968 NZ LYS A 61 -10.706 25.427 9.482 1.00 12.20 N ATOM 0 H LYS A 61 -15.031 20.509 7.549 1.00 44.35 H new ATOM 0 HA LYS A 61 -12.608 20.855 9.193 1.00 44.23 H new ATOM 0 HB2 LYS A 61 -15.321 22.230 9.139 1.00 74.51 H new ATOM 0 HB3 LYS A 61 -14.130 22.510 10.394 1.00 74.51 H new ATOM 0 HG2 LYS A 61 -12.809 22.821 7.868 1.00 14.34 H new ATOM 0 HG3 LYS A 61 -14.316 23.713 7.791 1.00 14.34 H new ATOM 0 HD2 LYS A 61 -13.739 25.122 9.579 1.00 2.13 H new ATOM 0 HD3 LYS A 61 -12.592 23.980 10.250 1.00 2.13 H new ATOM 0 HE2 LYS A 61 -11.485 24.457 7.768 1.00 30.13 H new ATOM 0 HE3 LYS A 61 -12.217 26.010 8.117 1.00 30.13 H new ATOM 0 HZ1 LYS A 61 -9.956 25.903 8.940 1.00 12.20 H new ATOM 0 HZ2 LYS A 61 -11.039 26.057 10.239 1.00 12.20 H new ATOM 0 HZ3 LYS A 61 -10.329 24.553 9.900 1.00 12.20 H new ATOM 982 N LEU A 62 -14.326 18.611 9.901 1.00 51.25 N ATOM 983 CA LEU A 62 -14.807 17.620 10.855 1.00 4.05 C ATOM 984 C LEU A 62 -16.129 18.057 11.476 1.00 43.54 C ATOM 985 O LEU A 62 -17.030 17.232 11.620 1.00 2.05 O ATOM 986 CB LEU A 62 -13.765 17.392 11.953 1.00 14.33 C ATOM 987 CG LEU A 62 -12.392 16.911 11.485 1.00 44.51 C ATOM 988 CD1 LEU A 62 -11.399 18.064 11.473 1.00 31.11 C ATOM 989 CD2 LEU A 62 -11.890 15.782 12.374 1.00 11.32 C ATOM 0 H LEU A 62 -14.091 18.233 8.983 1.00 51.25 H new ATOM 0 HA LEU A 62 -14.971 16.686 10.318 1.00 4.05 H new ATOM 0 HB2 LEU A 62 -13.634 18.325 12.501 1.00 14.33 H new ATOM 0 HB3 LEU A 62 -14.163 16.662 12.658 1.00 14.33 H new ATOM 0 HG LEU A 62 -12.489 16.530 10.468 1.00 44.51 H new ATOM 0 HD11 LEU A 62 -10.427 17.703 11.137 1.00 31.11 H new ATOM 0 HD12 LEU A 62 -11.752 18.841 10.795 1.00 31.11 H new ATOM 0 HD13 LEU A 62 -11.306 18.475 12.478 1.00 31.11 H new ATOM 0 HD21 LEU A 62 -10.911 15.452 12.026 1.00 11.32 H new ATOM 0 HD22 LEU A 62 -11.809 16.137 13.402 1.00 11.32 H new ATOM 0 HD23 LEU A 62 -12.590 14.947 12.332 1.00 11.32 H new ATOM 1002 N MET B 1 14.375 -22.988 -11.397 1.00 2.42 N ATOM 1003 CA MET B 1 13.011 -23.484 -11.547 1.00 64.45 C ATOM 1004 C MET B 1 12.006 -22.488 -10.976 1.00 0.52 C ATOM 1005 O MET B 1 12.038 -22.170 -9.787 1.00 64.34 O ATOM 1006 CB MET B 1 12.858 -24.837 -10.851 1.00 2.43 C ATOM 1007 CG MET B 1 13.611 -25.963 -11.539 1.00 71.21 C ATOM 1008 SD MET B 1 14.364 -27.112 -10.371 1.00 52.12 S ATOM 1009 CE MET B 1 16.058 -26.529 -10.366 1.00 55.10 C ATOM 0 H1 MET B 1 14.993 -23.458 -12.089 1.00 2.42 H new ATOM 0 H2 MET B 1 14.391 -21.961 -11.560 1.00 2.42 H new ATOM 0 H3 MET B 1 14.714 -23.191 -10.435 1.00 2.42 H new ATOM 0 HA MET B 1 12.810 -23.607 -12.611 1.00 64.45 H new ATOM 0 HB2 MET B 1 13.211 -24.750 -9.823 1.00 2.43 H new ATOM 0 HB3 MET B 1 11.800 -25.094 -10.804 1.00 2.43 H new ATOM 0 HG2 MET B 1 12.927 -26.508 -12.189 1.00 71.21 H new ATOM 0 HG3 MET B 1 14.387 -25.539 -12.177 1.00 71.21 H new ATOM 0 HE1 MET B 1 16.652 -27.142 -9.688 1.00 55.10 H new ATOM 0 HE2 MET B 1 16.470 -26.599 -11.373 1.00 55.10 H new ATOM 0 HE3 MET B 1 16.085 -25.491 -10.034 1.00 55.10 H new ATOM 1019 N LYS B 2 11.114 -22.000 -11.831 1.00 13.31 N ATOM 1020 CA LYS B 2 10.097 -21.041 -11.413 1.00 1.11 C ATOM 1021 C LYS B 2 8.697 -21.570 -11.705 1.00 22.31 C ATOM 1022 O LYS B 2 8.535 -22.592 -12.373 1.00 23.03 O ATOM 1023 CB LYS B 2 10.307 -19.702 -12.123 1.00 44.24 C ATOM 1024 CG LYS B 2 10.277 -19.805 -13.637 1.00 75.53 C ATOM 1025 CD LYS B 2 10.680 -18.496 -14.294 1.00 62.11 C ATOM 1026 CE LYS B 2 11.146 -18.710 -15.726 1.00 21.44 C ATOM 1027 NZ LYS B 2 10.594 -17.682 -16.650 1.00 45.23 N ATOM 0 H LYS B 2 11.074 -22.253 -12.818 1.00 13.31 H new ATOM 0 HA LYS B 2 10.193 -20.894 -10.337 1.00 1.11 H new ATOM 0 HB2 LYS B 2 9.535 -19.004 -11.799 1.00 44.24 H new ATOM 0 HB3 LYS B 2 11.265 -19.283 -11.815 1.00 44.24 H new ATOM 0 HG2 LYS B 2 10.950 -20.598 -13.962 1.00 75.53 H new ATOM 0 HG3 LYS B 2 9.275 -20.084 -13.964 1.00 75.53 H new ATOM 0 HD2 LYS B 2 9.835 -17.808 -14.285 1.00 62.11 H new ATOM 0 HD3 LYS B 2 11.478 -18.029 -13.717 1.00 62.11 H new ATOM 0 HE2 LYS B 2 12.235 -18.682 -15.761 1.00 21.44 H new ATOM 0 HE3 LYS B 2 10.842 -19.701 -16.062 1.00 21.44 H new ATOM 0 HZ1 LYS B 2 10.936 -17.864 -17.615 1.00 45.23 H new ATOM 0 HZ2 LYS B 2 9.555 -17.725 -16.636 1.00 45.23 H new ATOM 0 HZ3 LYS B 2 10.905 -16.738 -16.345 1.00 45.23 H new ATOM 1041 N LYS B 3 7.687 -20.868 -11.203 1.00 30.52 N ATOM 1042 CA LYS B 3 6.300 -21.264 -11.413 1.00 11.22 C ATOM 1043 C LYS B 3 5.361 -20.076 -11.232 1.00 32.02 C ATOM 1044 O LYS B 3 4.378 -20.155 -10.494 1.00 64.15 O ATOM 1045 CB LYS B 3 5.915 -22.384 -10.441 1.00 74.53 C ATOM 1046 CG LYS B 3 6.341 -23.765 -10.907 1.00 73.41 C ATOM 1047 CD LYS B 3 5.284 -24.810 -10.594 1.00 70.33 C ATOM 1048 CE LYS B 3 4.517 -25.219 -11.842 1.00 64.14 C ATOM 1049 NZ LYS B 3 3.363 -26.102 -11.520 1.00 33.25 N ATOM 0 H LYS B 3 7.803 -20.021 -10.647 1.00 30.52 H new ATOM 0 HA LYS B 3 6.204 -21.628 -12.436 1.00 11.22 H new ATOM 0 HB2 LYS B 3 6.366 -22.182 -9.470 1.00 74.53 H new ATOM 0 HB3 LYS B 3 4.834 -22.375 -10.299 1.00 74.53 H new ATOM 0 HG2 LYS B 3 6.528 -23.746 -11.981 1.00 73.41 H new ATOM 0 HG3 LYS B 3 7.279 -24.039 -10.425 1.00 73.41 H new ATOM 0 HD2 LYS B 3 5.758 -25.687 -10.153 1.00 70.33 H new ATOM 0 HD3 LYS B 3 4.590 -24.416 -9.852 1.00 70.33 H new ATOM 0 HE2 LYS B 3 4.159 -24.327 -12.357 1.00 64.14 H new ATOM 0 HE3 LYS B 3 5.189 -25.735 -12.528 1.00 64.14 H new ATOM 0 HZ1 LYS B 3 2.867 -26.358 -12.397 1.00 33.25 H new ATOM 0 HZ2 LYS B 3 3.706 -26.965 -11.052 1.00 33.25 H new ATOM 0 HZ3 LYS B 3 2.709 -25.601 -10.886 1.00 33.25 H new ATOM 1063 N LEU B 4 5.668 -18.977 -11.911 1.00 44.15 N ATOM 1064 CA LEU B 4 4.851 -17.771 -11.826 1.00 60.21 C ATOM 1065 C LEU B 4 4.798 -17.248 -10.395 1.00 41.00 C ATOM 1066 O LEU B 4 3.923 -16.457 -10.044 1.00 75.02 O ATOM 1067 CB LEU B 4 3.435 -18.055 -12.330 1.00 31.44 C ATOM 1068 CG LEU B 4 3.324 -18.573 -13.764 1.00 74.53 C ATOM 1069 CD1 LEU B 4 4.261 -17.803 -14.683 1.00 35.45 C ATOM 1070 CD2 LEU B 4 3.626 -20.064 -13.819 1.00 40.53 C ATOM 0 H LEU B 4 6.477 -18.895 -12.527 1.00 44.15 H new ATOM 0 HA LEU B 4 5.308 -17.007 -12.455 1.00 60.21 H new ATOM 0 HB2 LEU B 4 2.974 -18.785 -11.665 1.00 31.44 H new ATOM 0 HB3 LEU B 4 2.852 -17.138 -12.250 1.00 31.44 H new ATOM 0 HG LEU B 4 2.301 -18.418 -14.108 1.00 74.53 H new ATOM 0 HD11 LEU B 4 4.169 -18.185 -15.700 1.00 35.45 H new ATOM 0 HD12 LEU B 4 3.998 -16.745 -14.668 1.00 35.45 H new ATOM 0 HD13 LEU B 4 5.289 -17.926 -14.341 1.00 35.45 H new ATOM 0 HD21 LEU B 4 3.542 -20.415 -14.848 1.00 40.53 H new ATOM 0 HD22 LEU B 4 4.638 -20.244 -13.456 1.00 40.53 H new ATOM 0 HD23 LEU B 4 2.915 -20.603 -13.193 1.00 40.53 H new ATOM 1082 N ARG B 5 5.743 -17.693 -9.572 1.00 34.41 N ATOM 1083 CA ARG B 5 5.805 -17.269 -8.179 1.00 20.24 C ATOM 1084 C ARG B 5 6.294 -15.828 -8.070 1.00 52.42 C ATOM 1085 O ARG B 5 5.811 -15.060 -7.238 1.00 12.25 O ATOM 1086 CB ARG B 5 6.727 -18.193 -7.383 1.00 24.41 C ATOM 1087 CG ARG B 5 6.362 -19.664 -7.495 1.00 13.21 C ATOM 1088 CD ARG B 5 7.600 -20.539 -7.616 1.00 11.10 C ATOM 1089 NE ARG B 5 7.569 -21.662 -6.682 1.00 54.14 N ATOM 1090 CZ ARG B 5 8.306 -22.757 -6.828 1.00 24.05 C ATOM 1091 NH1 ARG B 5 9.128 -22.877 -7.861 1.00 52.13 N ATOM 1092 NH2 ARG B 5 8.223 -23.737 -5.936 1.00 4.30 N ATOM 0 H ARG B 5 6.476 -18.347 -9.847 1.00 34.41 H new ATOM 0 HA ARG B 5 4.799 -17.325 -7.764 1.00 20.24 H new ATOM 0 HB2 ARG B 5 7.752 -18.055 -7.728 1.00 24.41 H new ATOM 0 HB3 ARG B 5 6.702 -17.900 -6.333 1.00 24.41 H new ATOM 0 HG2 ARG B 5 5.787 -19.965 -6.619 1.00 13.21 H new ATOM 0 HG3 ARG B 5 5.722 -19.816 -8.364 1.00 13.21 H new ATOM 0 HD2 ARG B 5 7.679 -20.917 -8.635 1.00 11.10 H new ATOM 0 HD3 ARG B 5 8.489 -19.937 -7.430 1.00 11.10 H new ATOM 0 HE ARG B 5 6.948 -21.602 -5.875 1.00 54.14 H new ATOM 0 HH11 ARG B 5 9.197 -22.126 -8.548 1.00 52.13 H new ATOM 0 HH12 ARG B 5 9.692 -23.720 -7.969 1.00 52.13 H new ATOM 0 HH21 ARG B 5 7.593 -23.649 -5.139 1.00 4.30 H new ATOM 0 HH22 ARG B 5 8.789 -24.578 -6.048 1.00 4.30 H new ATOM 1106 N GLU B 6 7.254 -15.468 -8.916 1.00 34.15 N ATOM 1107 CA GLU B 6 7.808 -14.120 -8.914 1.00 1.02 C ATOM 1108 C GLU B 6 6.702 -13.077 -9.046 1.00 64.15 C ATOM 1109 O GLU B 6 6.837 -11.950 -8.569 1.00 61.51 O ATOM 1110 CB GLU B 6 8.817 -13.956 -10.053 1.00 31.44 C ATOM 1111 CG GLU B 6 9.242 -12.517 -10.288 1.00 11.21 C ATOM 1112 CD GLU B 6 10.603 -12.411 -10.948 1.00 72.50 C ATOM 1113 OE1 GLU B 6 10.937 -13.298 -11.762 1.00 71.11 O ATOM 1114 OE2 GLU B 6 11.334 -11.443 -10.653 1.00 11.41 O ATOM 0 H GLU B 6 7.664 -16.091 -9.611 1.00 34.15 H new ATOM 0 HA GLU B 6 8.317 -13.967 -7.963 1.00 1.02 H new ATOM 0 HB2 GLU B 6 9.700 -14.555 -9.833 1.00 31.44 H new ATOM 0 HB3 GLU B 6 8.383 -14.352 -10.971 1.00 31.44 H new ATOM 0 HG2 GLU B 6 8.500 -12.020 -10.913 1.00 11.21 H new ATOM 0 HG3 GLU B 6 9.262 -11.988 -9.335 1.00 11.21 H new ATOM 1122 N GLU B 7 5.609 -13.462 -9.698 1.00 43.43 N ATOM 1123 CA GLU B 7 4.480 -12.558 -9.893 1.00 33.22 C ATOM 1124 C GLU B 7 4.020 -11.967 -8.565 1.00 44.44 C ATOM 1125 O GLU B 7 3.874 -10.752 -8.432 1.00 22.03 O ATOM 1126 CB GLU B 7 3.320 -13.296 -10.565 1.00 54.11 C ATOM 1127 CG GLU B 7 2.861 -12.653 -11.863 1.00 30.55 C ATOM 1128 CD GLU B 7 1.431 -12.152 -11.793 1.00 32.15 C ATOM 1129 OE1 GLU B 7 1.234 -10.920 -11.810 1.00 74.23 O ATOM 1130 OE2 GLU B 7 0.511 -12.993 -11.720 1.00 35.21 O ATOM 0 H GLU B 7 5.481 -14.391 -10.099 1.00 43.43 H new ATOM 0 HA GLU B 7 4.807 -11.743 -10.539 1.00 33.22 H new ATOM 0 HB2 GLU B 7 3.622 -14.324 -10.765 1.00 54.11 H new ATOM 0 HB3 GLU B 7 2.479 -13.340 -9.873 1.00 54.11 H new ATOM 0 HG2 GLU B 7 3.522 -11.821 -12.105 1.00 30.55 H new ATOM 0 HG3 GLU B 7 2.949 -13.377 -12.673 1.00 30.55 H new ATOM 1138 N ALA B 8 3.792 -12.834 -7.585 1.00 2.12 N ATOM 1139 CA ALA B 8 3.349 -12.398 -6.266 1.00 64.30 C ATOM 1140 C ALA B 8 4.271 -11.319 -5.707 1.00 1.35 C ATOM 1141 O ALA B 8 3.850 -10.487 -4.903 1.00 63.44 O ATOM 1142 CB ALA B 8 3.282 -13.583 -5.313 1.00 74.23 C ATOM 0 H ALA B 8 3.907 -13.843 -7.679 1.00 2.12 H new ATOM 0 HA ALA B 8 2.351 -11.971 -6.368 1.00 64.30 H new ATOM 0 HB1 ALA B 8 2.950 -13.243 -4.332 1.00 74.23 H new ATOM 0 HB2 ALA B 8 2.578 -14.321 -5.699 1.00 74.23 H new ATOM 0 HB3 ALA B 8 4.270 -14.035 -5.225 1.00 74.23 H new ATOM 1148 N ALA B 9 5.529 -11.340 -6.136 1.00 12.14 N ATOM 1149 CA ALA B 9 6.508 -10.363 -5.679 1.00 23.32 C ATOM 1150 C ALA B 9 6.268 -9.003 -6.323 1.00 44.24 C ATOM 1151 O ALA B 9 6.430 -7.964 -5.683 1.00 45.14 O ATOM 1152 CB ALA B 9 7.918 -10.850 -5.979 1.00 43.20 C ATOM 0 H ALA B 9 5.893 -12.024 -6.800 1.00 12.14 H new ATOM 0 HA ALA B 9 6.396 -10.249 -4.601 1.00 23.32 H new ATOM 0 HB1 ALA B 9 8.640 -10.110 -5.632 1.00 43.20 H new ATOM 0 HB2 ALA B 9 8.093 -11.796 -5.466 1.00 43.20 H new ATOM 0 HB3 ALA B 9 8.033 -10.993 -7.053 1.00 43.20 H new ATOM 1158 N LYS B 10 5.881 -9.015 -7.595 1.00 4.04 N ATOM 1159 CA LYS B 10 5.618 -7.782 -8.326 1.00 74.31 C ATOM 1160 C LYS B 10 4.340 -7.115 -7.827 1.00 1.01 C ATOM 1161 O LYS B 10 4.243 -5.888 -7.784 1.00 64.44 O ATOM 1162 CB LYS B 10 5.503 -8.068 -9.825 1.00 20.34 C ATOM 1163 CG LYS B 10 6.580 -9.003 -10.349 1.00 10.13 C ATOM 1164 CD LYS B 10 7.163 -8.503 -11.660 1.00 33.31 C ATOM 1165 CE LYS B 10 6.502 -9.172 -12.856 1.00 23.05 C ATOM 1166 NZ LYS B 10 6.446 -8.267 -14.037 1.00 24.10 N ATOM 0 H LYS B 10 5.743 -9.866 -8.140 1.00 4.04 H new ATOM 0 HA LYS B 10 6.453 -7.103 -8.154 1.00 74.31 H new ATOM 0 HB2 LYS B 10 4.525 -8.503 -10.030 1.00 20.34 H new ATOM 0 HB3 LYS B 10 5.554 -7.126 -10.371 1.00 20.34 H new ATOM 0 HG2 LYS B 10 7.374 -9.096 -9.608 1.00 10.13 H new ATOM 0 HG3 LYS B 10 6.160 -9.999 -10.493 1.00 10.13 H new ATOM 0 HD2 LYS B 10 7.033 -7.423 -11.728 1.00 33.31 H new ATOM 0 HD3 LYS B 10 8.235 -8.697 -11.680 1.00 33.31 H new ATOM 0 HE2 LYS B 10 7.053 -10.076 -13.117 1.00 23.05 H new ATOM 0 HE3 LYS B 10 5.492 -9.481 -12.587 1.00 23.05 H new ATOM 0 HZ1 LYS B 10 5.989 -8.760 -14.831 1.00 24.10 H new ATOM 0 HZ2 LYS B 10 5.899 -7.416 -13.797 1.00 24.10 H new ATOM 0 HZ3 LYS B 10 7.411 -7.992 -14.310 1.00 24.10 H new ATOM 1180 N LEU B 11 3.361 -7.930 -7.449 1.00 64.44 N ATOM 1181 CA LEU B 11 2.090 -7.418 -6.950 1.00 12.14 C ATOM 1182 C LEU B 11 2.311 -6.409 -5.829 1.00 41.54 C ATOM 1183 O LEU B 11 1.682 -5.350 -5.800 1.00 14.34 O ATOM 1184 CB LEU B 11 1.215 -8.570 -6.450 1.00 64.00 C ATOM 1185 CG LEU B 11 0.874 -9.649 -7.477 1.00 22.43 C ATOM 1186 CD1 LEU B 11 -0.131 -10.635 -6.902 1.00 31.01 C ATOM 1187 CD2 LEU B 11 0.336 -9.020 -8.754 1.00 10.12 C ATOM 0 H LEU B 11 3.423 -8.948 -7.479 1.00 64.44 H new ATOM 0 HA LEU B 11 1.582 -6.914 -7.772 1.00 12.14 H new ATOM 0 HB2 LEU B 11 1.720 -9.044 -5.609 1.00 64.00 H new ATOM 0 HB3 LEU B 11 0.283 -8.153 -6.068 1.00 64.00 H new ATOM 0 HG LEU B 11 1.787 -10.193 -7.720 1.00 22.43 H new ATOM 0 HD11 LEU B 11 -0.362 -11.396 -7.648 1.00 31.01 H new ATOM 0 HD12 LEU B 11 0.291 -11.111 -6.017 1.00 31.01 H new ATOM 0 HD13 LEU B 11 -1.044 -10.106 -6.629 1.00 31.01 H new ATOM 0 HD21 LEU B 11 0.099 -9.804 -9.474 1.00 10.12 H new ATOM 0 HD22 LEU B 11 -0.565 -8.450 -8.527 1.00 10.12 H new ATOM 0 HD23 LEU B 11 1.089 -8.355 -9.177 1.00 10.12 H new ATOM 1199 N PHE B 12 3.209 -6.740 -4.909 1.00 24.05 N ATOM 1200 CA PHE B 12 3.515 -5.862 -3.786 1.00 53.11 C ATOM 1201 C PHE B 12 4.352 -4.670 -4.240 1.00 60.21 C ATOM 1202 O PHE B 12 4.340 -3.614 -3.609 1.00 72.01 O ATOM 1203 CB PHE B 12 4.258 -6.634 -2.694 1.00 42.03 C ATOM 1204 CG PHE B 12 3.438 -7.726 -2.069 1.00 20.13 C ATOM 1205 CD1 PHE B 12 2.147 -7.478 -1.633 1.00 24.05 C ATOM 1206 CD2 PHE B 12 3.959 -9.002 -1.920 1.00 22.25 C ATOM 1207 CE1 PHE B 12 1.391 -8.482 -1.056 1.00 74.22 C ATOM 1208 CE2 PHE B 12 3.207 -10.010 -1.345 1.00 34.52 C ATOM 1209 CZ PHE B 12 1.921 -9.750 -0.914 1.00 62.03 C ATOM 0 H PHE B 12 3.739 -7.612 -4.919 1.00 24.05 H new ATOM 0 HA PHE B 12 2.574 -5.490 -3.382 1.00 53.11 H new ATOM 0 HB2 PHE B 12 5.163 -7.068 -3.119 1.00 42.03 H new ATOM 0 HB3 PHE B 12 4.573 -5.937 -1.917 1.00 42.03 H new ATOM 0 HD1 PHE B 12 1.726 -6.490 -1.745 1.00 24.05 H new ATOM 0 HD2 PHE B 12 4.964 -9.211 -2.257 1.00 22.25 H new ATOM 0 HE1 PHE B 12 0.387 -8.275 -0.717 1.00 74.22 H new ATOM 0 HE2 PHE B 12 3.625 -11.000 -1.233 1.00 34.52 H new ATOM 0 HZ PHE B 12 1.331 -10.536 -0.467 1.00 62.03 H new ATOM 1219 N GLU B 13 5.078 -4.848 -5.339 1.00 75.41 N ATOM 1220 CA GLU B 13 5.922 -3.788 -5.877 1.00 35.45 C ATOM 1221 C GLU B 13 5.118 -2.509 -6.094 1.00 74.50 C ATOM 1222 O GLU B 13 5.661 -1.407 -6.044 1.00 42.01 O ATOM 1223 CB GLU B 13 6.559 -4.232 -7.196 1.00 15.03 C ATOM 1224 CG GLU B 13 8.033 -3.884 -7.308 1.00 25.20 C ATOM 1225 CD GLU B 13 8.445 -3.537 -8.725 1.00 73.43 C ATOM 1226 OE1 GLU B 13 7.692 -3.877 -9.662 1.00 13.30 O ATOM 1227 OE2 GLU B 13 9.520 -2.926 -8.899 1.00 60.41 O ATOM 0 H GLU B 13 5.099 -5.716 -5.874 1.00 75.41 H new ATOM 0 HA GLU B 13 6.710 -3.583 -5.152 1.00 35.45 H new ATOM 0 HB2 GLU B 13 6.440 -5.310 -7.302 1.00 15.03 H new ATOM 0 HB3 GLU B 13 6.021 -3.769 -8.023 1.00 15.03 H new ATOM 0 HG2 GLU B 13 8.254 -3.041 -6.653 1.00 25.20 H new ATOM 0 HG3 GLU B 13 8.629 -4.726 -6.956 1.00 25.20 H new ATOM 1235 N GLU B 14 3.820 -2.667 -6.335 1.00 31.41 N ATOM 1236 CA GLU B 14 2.942 -1.525 -6.561 1.00 15.24 C ATOM 1237 C GLU B 14 2.777 -0.705 -5.285 1.00 21.42 C ATOM 1238 O GLU B 14 2.725 0.525 -5.327 1.00 34.43 O ATOM 1239 CB GLU B 14 1.573 -1.998 -7.057 1.00 52.41 C ATOM 1240 CG GLU B 14 1.651 -3.028 -8.171 1.00 12.43 C ATOM 1241 CD GLU B 14 0.716 -2.714 -9.322 1.00 51.11 C ATOM 1242 OE1 GLU B 14 1.204 -2.594 -10.465 1.00 74.32 O ATOM 1243 OE2 GLU B 14 -0.503 -2.587 -9.081 1.00 33.54 O ATOM 0 H GLU B 14 3.354 -3.573 -6.379 1.00 31.41 H new ATOM 0 HA GLU B 14 3.398 -0.892 -7.322 1.00 15.24 H new ATOM 0 HB2 GLU B 14 1.019 -2.423 -6.219 1.00 52.41 H new ATOM 0 HB3 GLU B 14 1.006 -1.136 -7.410 1.00 52.41 H new ATOM 0 HG2 GLU B 14 2.674 -3.079 -8.543 1.00 12.43 H new ATOM 0 HG3 GLU B 14 1.409 -4.012 -7.769 1.00 12.43 H new ATOM 1251 N TRP B 15 2.696 -1.394 -4.152 1.00 74.10 N ATOM 1252 CA TRP B 15 2.537 -0.729 -2.864 1.00 71.41 C ATOM 1253 C TRP B 15 3.760 0.119 -2.535 1.00 51.33 C ATOM 1254 O TRP B 15 3.635 1.245 -2.050 1.00 72.35 O ATOM 1255 CB TRP B 15 2.305 -1.762 -1.760 1.00 25.31 C ATOM 1256 CG TRP B 15 1.641 -1.192 -0.542 1.00 75.44 C ATOM 1257 CD1 TRP B 15 1.021 0.021 -0.440 1.00 52.30 C ATOM 1258 CD2 TRP B 15 1.533 -1.810 0.743 1.00 54.40 C ATOM 1259 NE1 TRP B 15 0.533 0.193 0.833 1.00 32.24 N ATOM 1260 CE2 TRP B 15 0.833 -0.917 1.578 1.00 25.10 C ATOM 1261 CE3 TRP B 15 1.955 -3.033 1.271 1.00 4.13 C ATOM 1262 CZ2 TRP B 15 0.551 -1.209 2.910 1.00 53.34 C ATOM 1263 CZ3 TRP B 15 1.674 -3.321 2.593 1.00 20.53 C ATOM 1264 CH2 TRP B 15 0.977 -2.412 3.400 1.00 13.22 C ATOM 0 H TRP B 15 2.738 -2.412 -4.099 1.00 74.10 H new ATOM 0 HA TRP B 15 1.669 -0.072 -2.926 1.00 71.41 H new ATOM 0 HB2 TRP B 15 1.691 -2.572 -2.154 1.00 25.31 H new ATOM 0 HB3 TRP B 15 3.262 -2.197 -1.473 1.00 25.31 H new ATOM 0 HD1 TRP B 15 0.928 0.739 -1.242 1.00 52.30 H new ATOM 0 HE1 TRP B 15 0.029 1.014 1.169 1.00 32.24 H new ATOM 0 HE3 TRP B 15 2.491 -3.741 0.657 1.00 4.13 H new ATOM 0 HZ2 TRP B 15 0.015 -0.510 3.534 1.00 53.34 H new ATOM 0 HZ3 TRP B 15 1.997 -4.263 3.011 1.00 20.53 H new ATOM 0 HH2 TRP B 15 0.772 -2.667 4.429 1.00 13.22 H new ATOM 1275 N LYS B 16 4.942 -0.426 -2.800 1.00 70.32 N ATOM 1276 CA LYS B 16 6.189 0.282 -2.534 1.00 22.21 C ATOM 1277 C LYS B 16 6.459 1.331 -3.607 1.00 42.33 C ATOM 1278 O LYS B 16 7.096 2.352 -3.346 1.00 25.33 O ATOM 1279 CB LYS B 16 7.356 -0.706 -2.467 1.00 3.54 C ATOM 1280 CG LYS B 16 8.718 -0.036 -2.410 1.00 51.30 C ATOM 1281 CD LYS B 16 9.400 -0.044 -3.767 1.00 24.23 C ATOM 1282 CE LYS B 16 10.205 1.227 -3.994 1.00 12.13 C ATOM 1283 NZ LYS B 16 11.393 0.984 -4.859 1.00 13.35 N ATOM 0 H LYS B 16 5.063 -1.357 -3.199 1.00 70.32 H new ATOM 0 HA LYS B 16 6.093 0.787 -1.573 1.00 22.21 H new ATOM 0 HB2 LYS B 16 7.235 -1.339 -1.588 1.00 3.54 H new ATOM 0 HB3 LYS B 16 7.318 -1.360 -3.338 1.00 3.54 H new ATOM 0 HG2 LYS B 16 8.605 0.992 -2.065 1.00 51.30 H new ATOM 0 HG3 LYS B 16 9.347 -0.549 -1.683 1.00 51.30 H new ATOM 0 HD2 LYS B 16 10.058 -0.910 -3.840 1.00 24.23 H new ATOM 0 HD3 LYS B 16 8.650 -0.146 -4.552 1.00 24.23 H new ATOM 0 HE2 LYS B 16 9.569 1.983 -4.455 1.00 12.13 H new ATOM 0 HE3 LYS B 16 10.531 1.627 -3.034 1.00 12.13 H new ATOM 0 HZ1 LYS B 16 11.915 1.874 -4.990 1.00 13.35 H new ATOM 0 HZ2 LYS B 16 12.013 0.282 -4.408 1.00 13.35 H new ATOM 0 HZ3 LYS B 16 11.081 0.626 -5.784 1.00 13.35 H new ATOM 1297 N LYS B 17 5.969 1.076 -4.815 1.00 32.24 N ATOM 1298 CA LYS B 17 6.154 1.999 -5.928 1.00 32.54 C ATOM 1299 C LYS B 17 5.242 3.213 -5.785 1.00 72.41 C ATOM 1300 O LYS B 17 5.705 4.354 -5.790 1.00 21.32 O ATOM 1301 CB LYS B 17 5.877 1.291 -7.256 1.00 15.54 C ATOM 1302 CG LYS B 17 7.094 0.598 -7.843 1.00 32.01 C ATOM 1303 CD LYS B 17 7.808 1.485 -8.849 1.00 33.31 C ATOM 1304 CE LYS B 17 9.275 1.105 -8.984 1.00 61.34 C ATOM 1305 NZ LYS B 17 9.590 0.579 -10.342 1.00 25.03 N ATOM 0 H LYS B 17 5.440 0.236 -5.048 1.00 32.24 H new ATOM 0 HA LYS B 17 7.189 2.341 -5.916 1.00 32.54 H new ATOM 0 HB2 LYS B 17 5.087 0.555 -7.107 1.00 15.54 H new ATOM 0 HB3 LYS B 17 5.503 2.020 -7.975 1.00 15.54 H new ATOM 0 HG2 LYS B 17 7.782 0.328 -7.042 1.00 32.01 H new ATOM 0 HG3 LYS B 17 6.788 -0.330 -8.327 1.00 32.01 H new ATOM 0 HD2 LYS B 17 7.319 1.403 -9.820 1.00 33.31 H new ATOM 0 HD3 LYS B 17 7.728 2.527 -8.539 1.00 33.31 H new ATOM 0 HE2 LYS B 17 9.896 1.977 -8.779 1.00 61.34 H new ATOM 0 HE3 LYS B 17 9.525 0.353 -8.236 1.00 61.34 H new ATOM 0 HZ1 LYS B 17 10.599 0.332 -10.393 1.00 25.03 H new ATOM 0 HZ2 LYS B 17 9.016 -0.268 -10.528 1.00 25.03 H new ATOM 0 HZ3 LYS B 17 9.375 1.306 -11.054 1.00 25.03 H new ATOM 1319 N LEU B 18 3.944 2.959 -5.659 1.00 64.14 N ATOM 1320 CA LEU B 18 2.966 4.032 -5.513 1.00 62.02 C ATOM 1321 C LEU B 18 3.331 4.948 -4.348 1.00 32.32 C ATOM 1322 O LEU B 18 2.977 6.127 -4.339 1.00 23.45 O ATOM 1323 CB LEU B 18 1.568 3.449 -5.300 1.00 2.52 C ATOM 1324 CG LEU B 18 0.922 2.790 -6.519 1.00 21.31 C ATOM 1325 CD1 LEU B 18 -0.142 1.794 -6.087 1.00 13.42 C ATOM 1326 CD2 LEU B 18 0.328 3.843 -7.443 1.00 13.24 C ATOM 0 H LEU B 18 3.545 2.020 -5.655 1.00 64.14 H new ATOM 0 HA LEU B 18 2.971 4.622 -6.430 1.00 62.02 H new ATOM 0 HB2 LEU B 18 1.622 2.711 -4.499 1.00 2.52 H new ATOM 0 HB3 LEU B 18 0.912 4.248 -4.954 1.00 2.52 H new ATOM 0 HG LEU B 18 1.694 2.249 -7.067 1.00 21.31 H new ATOM 0 HD11 LEU B 18 -0.590 1.335 -6.968 1.00 13.42 H new ATOM 0 HD12 LEU B 18 0.313 1.021 -5.468 1.00 13.42 H new ATOM 0 HD13 LEU B 18 -0.913 2.310 -5.515 1.00 13.42 H new ATOM 0 HD21 LEU B 18 -0.127 3.355 -8.305 1.00 13.24 H new ATOM 0 HD22 LEU B 18 -0.430 4.413 -6.906 1.00 13.24 H new ATOM 0 HD23 LEU B 18 1.116 4.516 -7.781 1.00 13.24 H new ATOM 1338 N ALA B 19 4.041 4.397 -3.370 1.00 20.13 N ATOM 1339 CA ALA B 19 4.458 5.164 -2.203 1.00 53.21 C ATOM 1340 C ALA B 19 5.418 6.281 -2.595 1.00 72.53 C ATOM 1341 O ALA B 19 5.347 7.389 -2.062 1.00 24.24 O ATOM 1342 CB ALA B 19 5.101 4.249 -1.172 1.00 62.15 C ATOM 0 H ALA B 19 4.340 3.422 -3.362 1.00 20.13 H new ATOM 0 HA ALA B 19 3.571 5.621 -1.763 1.00 53.21 H new ATOM 0 HB1 ALA B 19 5.408 4.835 -0.306 1.00 62.15 H new ATOM 0 HB2 ALA B 19 4.383 3.490 -0.861 1.00 62.15 H new ATOM 0 HB3 ALA B 19 5.974 3.765 -1.610 1.00 62.15 H new ATOM 1348 N GLU B 20 6.316 5.984 -3.529 1.00 35.41 N ATOM 1349 CA GLU B 20 7.292 6.964 -3.991 1.00 43.31 C ATOM 1350 C GLU B 20 6.597 8.220 -4.508 1.00 60.32 C ATOM 1351 O GLU B 20 6.950 9.336 -4.130 1.00 53.51 O ATOM 1352 CB GLU B 20 8.171 6.363 -5.090 1.00 42.43 C ATOM 1353 CG GLU B 20 9.606 6.860 -5.061 1.00 21.22 C ATOM 1354 CD GLU B 20 10.595 5.813 -5.532 1.00 71.52 C ATOM 1355 OE1 GLU B 20 10.980 4.950 -4.716 1.00 42.21 O ATOM 1356 OE2 GLU B 20 10.986 5.855 -6.718 1.00 72.03 O ATOM 0 H GLU B 20 6.388 5.072 -3.981 1.00 35.41 H new ATOM 0 HA GLU B 20 7.921 7.240 -3.145 1.00 43.31 H new ATOM 0 HB2 GLU B 20 8.169 5.277 -4.992 1.00 42.43 H new ATOM 0 HB3 GLU B 20 7.734 6.596 -6.061 1.00 42.43 H new ATOM 0 HG2 GLU B 20 9.693 7.746 -5.691 1.00 21.22 H new ATOM 0 HG3 GLU B 20 9.861 7.164 -4.046 1.00 21.22 H new ATOM 1364 N GLU B 21 5.611 8.028 -5.378 1.00 53.53 N ATOM 1365 CA GLU B 21 4.868 9.146 -5.949 1.00 10.10 C ATOM 1366 C GLU B 21 3.910 9.743 -4.922 1.00 75.14 C ATOM 1367 O GLU B 21 3.905 10.953 -4.694 1.00 13.24 O ATOM 1368 CB GLU B 21 4.090 8.691 -7.185 1.00 11.22 C ATOM 1369 CG GLU B 21 4.945 7.968 -8.211 1.00 75.10 C ATOM 1370 CD GLU B 21 5.092 8.748 -9.503 1.00 53.34 C ATOM 1371 OE1 GLU B 21 4.057 9.164 -10.065 1.00 32.35 O ATOM 1372 OE2 GLU B 21 6.241 8.945 -9.951 1.00 34.12 O ATOM 0 H GLU B 21 5.308 7.110 -5.703 1.00 53.53 H new ATOM 0 HA GLU B 21 5.584 9.914 -6.242 1.00 10.10 H new ATOM 0 HB2 GLU B 21 3.279 8.033 -6.872 1.00 11.22 H new ATOM 0 HB3 GLU B 21 3.631 9.561 -7.655 1.00 11.22 H new ATOM 0 HG2 GLU B 21 5.933 7.782 -7.789 1.00 75.10 H new ATOM 0 HG3 GLU B 21 4.502 6.996 -8.427 1.00 75.10 H new ATOM 1380 N ALA B 22 3.101 8.888 -4.308 1.00 31.43 N ATOM 1381 CA ALA B 22 2.140 9.330 -3.305 1.00 34.15 C ATOM 1382 C ALA B 22 2.822 10.144 -2.212 1.00 71.44 C ATOM 1383 O ALA B 22 2.218 11.041 -1.624 1.00 1.03 O ATOM 1384 CB ALA B 22 1.419 8.133 -2.702 1.00 53.54 C ATOM 0 H ALA B 22 3.091 7.884 -4.487 1.00 31.43 H new ATOM 0 HA ALA B 22 1.409 9.972 -3.796 1.00 34.15 H new ATOM 0 HB1 ALA B 22 0.704 8.477 -1.955 1.00 53.54 H new ATOM 0 HB2 ALA B 22 0.891 7.593 -3.488 1.00 53.54 H new ATOM 0 HB3 ALA B 22 2.145 7.470 -2.231 1.00 53.54 H new ATOM 1390 N ALA B 23 4.085 9.827 -1.945 1.00 75.12 N ATOM 1391 CA ALA B 23 4.850 10.531 -0.923 1.00 12.23 C ATOM 1392 C ALA B 23 5.183 11.950 -1.368 1.00 50.14 C ATOM 1393 O ALA B 23 4.890 12.918 -0.664 1.00 54.04 O ATOM 1394 CB ALA B 23 6.123 9.765 -0.596 1.00 20.40 C ATOM 0 H ALA B 23 4.600 9.087 -2.422 1.00 75.12 H new ATOM 0 HA ALA B 23 4.237 10.595 -0.024 1.00 12.23 H new ATOM 0 HB1 ALA B 23 6.685 10.302 0.168 1.00 20.40 H new ATOM 0 HB2 ALA B 23 5.866 8.772 -0.227 1.00 20.40 H new ATOM 0 HB3 ALA B 23 6.732 9.671 -1.495 1.00 20.40 H new ATOM 1400 N LYS B 24 5.799 12.070 -2.540 1.00 13.43 N ATOM 1401 CA LYS B 24 6.172 13.372 -3.079 1.00 21.32 C ATOM 1402 C LYS B 24 4.935 14.211 -3.379 1.00 73.34 C ATOM 1403 O LYS B 24 4.955 15.436 -3.246 1.00 23.31 O ATOM 1404 CB LYS B 24 7.006 13.199 -4.351 1.00 22.20 C ATOM 1405 CG LYS B 24 6.329 12.347 -5.411 1.00 64.32 C ATOM 1406 CD LYS B 24 7.194 12.213 -6.653 1.00 35.45 C ATOM 1407 CE LYS B 24 6.437 12.626 -7.906 1.00 55.25 C ATOM 1408 NZ LYS B 24 6.835 13.983 -8.373 1.00 64.13 N ATOM 0 H LYS B 24 6.050 11.280 -3.135 1.00 13.43 H new ATOM 0 HA LYS B 24 6.768 13.892 -2.329 1.00 21.32 H new ATOM 0 HB2 LYS B 24 7.222 14.182 -4.770 1.00 22.20 H new ATOM 0 HB3 LYS B 24 7.963 12.747 -4.090 1.00 22.20 H new ATOM 0 HG2 LYS B 24 6.118 11.358 -5.004 1.00 64.32 H new ATOM 0 HG3 LYS B 24 5.371 12.792 -5.680 1.00 64.32 H new ATOM 0 HD2 LYS B 24 8.086 12.831 -6.545 1.00 35.45 H new ATOM 0 HD3 LYS B 24 7.531 11.181 -6.754 1.00 35.45 H new ATOM 0 HE2 LYS B 24 6.623 11.901 -8.698 1.00 55.25 H new ATOM 0 HE3 LYS B 24 5.366 12.611 -7.705 1.00 55.25 H new ATOM 0 HZ1 LYS B 24 6.297 14.227 -9.229 1.00 64.13 H new ATOM 0 HZ2 LYS B 24 6.634 14.679 -7.627 1.00 64.13 H new ATOM 0 HZ3 LYS B 24 7.852 13.991 -8.590 1.00 64.13 H new ATOM 1422 N LEU B 25 3.859 13.546 -3.785 1.00 41.41 N ATOM 1423 CA LEU B 25 2.610 14.232 -4.103 1.00 23.32 C ATOM 1424 C LEU B 25 1.875 14.642 -2.830 1.00 61.34 C ATOM 1425 O LEU B 25 1.313 15.735 -2.751 1.00 53.24 O ATOM 1426 CB LEU B 25 1.715 13.332 -4.955 1.00 11.04 C ATOM 1427 CG LEU B 25 1.624 13.687 -6.439 1.00 74.24 C ATOM 1428 CD1 LEU B 25 0.674 12.741 -7.158 1.00 45.01 C ATOM 1429 CD2 LEU B 25 1.176 15.131 -6.616 1.00 5.15 C ATOM 0 H LEU B 25 3.826 12.533 -3.902 1.00 41.41 H new ATOM 0 HA LEU B 25 2.851 15.133 -4.667 1.00 23.32 H new ATOM 0 HB2 LEU B 25 2.077 12.307 -4.869 1.00 11.04 H new ATOM 0 HB3 LEU B 25 0.709 13.351 -4.535 1.00 11.04 H new ATOM 0 HG LEU B 25 2.615 13.578 -6.880 1.00 74.24 H new ATOM 0 HD11 LEU B 25 0.622 13.010 -8.213 1.00 45.01 H new ATOM 0 HD12 LEU B 25 1.037 11.718 -7.061 1.00 45.01 H new ATOM 0 HD13 LEU B 25 -0.319 12.817 -6.715 1.00 45.01 H new ATOM 0 HD21 LEU B 25 1.117 15.366 -7.679 1.00 5.15 H new ATOM 0 HD22 LEU B 25 0.196 15.266 -6.159 1.00 5.15 H new ATOM 0 HD23 LEU B 25 1.894 15.796 -6.137 1.00 5.15 H new ATOM 1441 N LEU B 26 1.886 13.760 -1.836 1.00 74.24 N ATOM 1442 CA LEU B 26 1.222 14.032 -0.567 1.00 62.03 C ATOM 1443 C LEU B 26 1.641 15.389 -0.012 1.00 70.52 C ATOM 1444 O LEU B 26 0.798 16.209 0.352 1.00 12.04 O ATOM 1445 CB LEU B 26 1.546 12.932 0.446 1.00 2.31 C ATOM 1446 CG LEU B 26 0.508 11.818 0.583 1.00 44.54 C ATOM 1447 CD1 LEU B 26 1.153 10.550 1.119 1.00 4.54 C ATOM 1448 CD2 LEU B 26 -0.633 12.262 1.487 1.00 5.13 C ATOM 0 H LEU B 26 2.347 12.852 -1.885 1.00 74.24 H new ATOM 0 HA LEU B 26 0.147 14.050 -0.745 1.00 62.03 H new ATOM 0 HB2 LEU B 26 2.499 12.481 0.170 1.00 2.31 H new ATOM 0 HB3 LEU B 26 1.684 13.395 1.423 1.00 2.31 H new ATOM 0 HG LEU B 26 0.100 11.603 -0.405 1.00 44.54 H new ATOM 0 HD11 LEU B 26 0.399 9.768 1.210 1.00 4.54 H new ATOM 0 HD12 LEU B 26 1.935 10.222 0.434 1.00 4.54 H new ATOM 0 HD13 LEU B 26 1.589 10.749 2.098 1.00 4.54 H new ATOM 0 HD21 LEU B 26 -1.363 11.457 1.574 1.00 5.13 H new ATOM 0 HD22 LEU B 26 -0.241 12.504 2.475 1.00 5.13 H new ATOM 0 HD23 LEU B 26 -1.113 13.143 1.061 1.00 5.13 H new ATOM 1460 N GLU B 27 2.949 15.621 0.046 1.00 0.31 N ATOM 1461 CA GLU B 27 3.479 16.880 0.555 1.00 54.43 C ATOM 1462 C GLU B 27 3.742 17.860 -0.585 1.00 3.20 C ATOM 1463 O GLU B 27 4.397 18.885 -0.398 1.00 55.30 O ATOM 1464 CB GLU B 27 4.769 16.637 1.340 1.00 2.13 C ATOM 1465 CG GLU B 27 4.615 15.630 2.468 1.00 14.32 C ATOM 1466 CD GLU B 27 4.023 16.245 3.722 1.00 42.22 C ATOM 1467 OE1 GLU B 27 3.279 17.241 3.599 1.00 43.54 O ATOM 1468 OE2 GLU B 27 4.304 15.732 4.824 1.00 23.13 O ATOM 0 H GLU B 27 3.660 14.954 -0.253 1.00 0.31 H new ATOM 0 HA GLU B 27 2.734 17.315 1.221 1.00 54.43 H new ATOM 0 HB2 GLU B 27 5.541 16.287 0.655 1.00 2.13 H new ATOM 0 HB3 GLU B 27 5.116 17.584 1.754 1.00 2.13 H new ATOM 0 HG2 GLU B 27 3.978 14.811 2.134 1.00 14.32 H new ATOM 0 HG3 GLU B 27 5.589 15.201 2.703 1.00 14.32 H new ATOM 1476 N GLY B 28 3.227 17.536 -1.767 1.00 14.13 N ATOM 1477 CA GLY B 28 3.418 18.396 -2.921 1.00 10.34 C ATOM 1478 C GLY B 28 2.864 19.790 -2.701 1.00 31.13 C ATOM 1479 O GLY B 28 3.173 20.713 -3.454 1.00 13.32 O ATOM 0 H GLY B 28 2.681 16.693 -1.946 1.00 14.13 H new ATOM 0 HA2 GLY B 28 4.482 18.463 -3.149 1.00 10.34 H new ATOM 0 HA3 GLY B 28 2.933 17.948 -3.789 1.00 10.34 H new ATOM 1483 N GLY B 29 2.042 19.944 -1.667 1.00 31.40 N ATOM 1484 CA GLY B 29 1.456 21.238 -1.372 1.00 5.43 C ATOM 1485 C GLY B 29 -0.016 21.141 -1.023 1.00 43.23 C ATOM 1486 O GLY B 29 -0.834 21.903 -1.539 1.00 3.33 O ATOM 0 H GLY B 29 1.772 19.196 -1.029 1.00 31.40 H new ATOM 0 HA2 GLY B 29 1.994 21.696 -0.542 1.00 5.43 H new ATOM 0 HA3 GLY B 29 1.580 21.894 -2.233 1.00 5.43 H new ATOM 1490 N GLY B 30 -0.355 20.201 -0.146 1.00 50.31 N ATOM 1491 CA GLY B 30 -1.739 20.024 0.254 1.00 40.45 C ATOM 1492 C GLY B 30 -1.902 18.961 1.322 1.00 41.23 C ATOM 1493 O GLY B 30 -2.880 18.216 1.321 1.00 13.24 O ATOM 0 H GLY B 30 0.304 19.559 0.295 1.00 50.31 H new ATOM 0 HA2 GLY B 30 -2.131 20.971 0.625 1.00 40.45 H new ATOM 0 HA3 GLY B 30 -2.334 19.753 -0.618 1.00 40.45 H new ATOM 1497 N GLY B 31 -0.939 18.890 2.237 1.00 71.03 N ATOM 1498 CA GLY B 31 -0.999 17.907 3.301 1.00 21.15 C ATOM 1499 C GLY B 31 -0.800 18.523 4.672 1.00 14.50 C ATOM 1500 O GLY B 31 -1.542 19.421 5.070 1.00 14.12 O ATOM 0 H GLY B 31 -0.119 19.496 2.259 1.00 71.03 H new ATOM 0 HA2 GLY B 31 -1.964 17.401 3.270 1.00 21.15 H new ATOM 0 HA3 GLY B 31 -0.235 17.147 3.133 1.00 21.15 H new ATOM 1504 N GLY B 32 0.202 18.039 5.398 1.00 64.43 N ATOM 1505 CA GLY B 32 0.476 18.558 6.725 1.00 45.53 C ATOM 1506 C GLY B 32 1.782 19.326 6.790 1.00 32.34 C ATOM 1507 O GLY B 32 1.795 20.517 7.095 1.00 22.10 O ATOM 0 H GLY B 32 0.830 17.296 5.091 1.00 64.43 H new ATOM 0 HA2 GLY B 32 -0.341 19.211 7.032 1.00 45.53 H new ATOM 0 HA3 GLY B 32 0.508 17.732 7.435 1.00 45.53 H new ATOM 1511 N GLY B 33 2.884 18.640 6.501 1.00 44.51 N ATOM 1512 CA GLY B 33 4.186 19.280 6.536 1.00 12.11 C ATOM 1513 C GLY B 33 5.302 18.306 6.857 1.00 64.22 C ATOM 1514 O GLY B 33 6.244 18.152 6.079 1.00 54.42 O ATOM 0 H GLY B 33 2.898 17.653 6.243 1.00 44.51 H new ATOM 0 HA2 GLY B 33 4.383 19.749 5.572 1.00 12.11 H new ATOM 0 HA3 GLY B 33 4.177 20.075 7.281 1.00 12.11 H new ATOM 1518 N GLY B 34 5.200 17.649 8.008 1.00 12.13 N ATOM 1519 CA GLY B 34 6.217 16.695 8.410 1.00 53.51 C ATOM 1520 C GLY B 34 5.936 16.087 9.770 1.00 42.20 C ATOM 1521 O GLY B 34 6.492 16.519 10.778 1.00 24.31 O ATOM 0 H GLY B 34 4.431 17.760 8.669 1.00 12.13 H new ATOM 0 HA2 GLY B 34 6.280 15.901 7.666 1.00 53.51 H new ATOM 0 HA3 GLY B 34 7.188 17.190 8.430 1.00 53.51 H new ATOM 1525 N GLY B 35 5.066 15.082 9.798 1.00 3.43 N ATOM 1526 CA GLY B 35 4.726 14.431 11.050 1.00 1.11 C ATOM 1527 C GLY B 35 4.477 12.945 10.883 1.00 43.21 C ATOM 1528 O GLY B 35 5.009 12.321 9.966 1.00 23.11 O ATOM 0 H GLY B 35 4.591 14.707 8.977 1.00 3.43 H new ATOM 0 HA2 GLY B 35 5.534 14.582 11.766 1.00 1.11 H new ATOM 0 HA3 GLY B 35 3.836 14.900 11.470 1.00 1.11 H new ATOM 1532 N GLU B 36 3.669 12.378 11.772 1.00 15.52 N ATOM 1533 CA GLU B 36 3.354 10.955 11.719 1.00 15.45 C ATOM 1534 C GLU B 36 2.393 10.653 10.572 1.00 32.40 C ATOM 1535 O GLU B 36 2.187 9.494 10.208 1.00 4.04 O ATOM 1536 CB GLU B 36 2.743 10.495 13.044 1.00 3.25 C ATOM 1537 CG GLU B 36 1.286 10.891 13.213 1.00 41.53 C ATOM 1538 CD GLU B 36 0.985 11.427 14.600 1.00 23.00 C ATOM 1539 OE1 GLU B 36 1.624 12.422 15.003 1.00 11.24 O ATOM 1540 OE2 GLU B 36 0.111 10.853 15.282 1.00 22.21 O ATOM 0 H GLU B 36 3.221 12.881 12.537 1.00 15.52 H new ATOM 0 HA GLU B 36 4.282 10.410 11.547 1.00 15.45 H new ATOM 0 HB2 GLU B 36 2.827 9.411 13.116 1.00 3.25 H new ATOM 0 HB3 GLU B 36 3.322 10.914 13.866 1.00 3.25 H new ATOM 0 HG2 GLU B 36 1.031 11.648 12.472 1.00 41.53 H new ATOM 0 HG3 GLU B 36 0.653 10.026 13.016 1.00 41.53 H new ATOM 1548 N LEU B 37 1.807 11.703 10.006 1.00 20.23 N ATOM 1549 CA LEU B 37 0.868 11.551 8.901 1.00 75.15 C ATOM 1550 C LEU B 37 1.466 10.690 7.792 1.00 54.32 C ATOM 1551 O LEU B 37 0.886 9.679 7.398 1.00 75.11 O ATOM 1552 CB LEU B 37 0.479 12.922 8.344 1.00 64.41 C ATOM 1553 CG LEU B 37 -0.433 12.913 7.117 1.00 42.45 C ATOM 1554 CD1 LEU B 37 -1.893 12.992 7.537 1.00 31.21 C ATOM 1555 CD2 LEU B 37 -0.083 14.064 6.184 1.00 24.21 C ATOM 0 H LEU B 37 1.966 12.668 10.294 1.00 20.23 H new ATOM 0 HA LEU B 37 -0.024 11.053 9.281 1.00 75.15 H new ATOM 0 HB2 LEU B 37 -0.015 13.487 9.135 1.00 64.41 H new ATOM 0 HB3 LEU B 37 1.392 13.461 8.090 1.00 64.41 H new ATOM 0 HG LEU B 37 -0.280 11.976 6.581 1.00 42.45 H new ATOM 0 HD11 LEU B 37 -2.527 12.984 6.651 1.00 31.21 H new ATOM 0 HD12 LEU B 37 -2.138 12.136 8.166 1.00 31.21 H new ATOM 0 HD13 LEU B 37 -2.061 13.912 8.096 1.00 31.21 H new ATOM 0 HD21 LEU B 37 -0.742 14.042 5.316 1.00 24.21 H new ATOM 0 HD22 LEU B 37 -0.208 15.010 6.711 1.00 24.21 H new ATOM 0 HD23 LEU B 37 0.952 13.965 5.856 1.00 24.21 H new ATOM 1567 N MET B 38 2.628 11.097 7.296 1.00 64.13 N ATOM 1568 CA MET B 38 3.306 10.361 6.235 1.00 24.40 C ATOM 1569 C MET B 38 3.827 9.023 6.750 1.00 64.24 C ATOM 1570 O MET B 38 3.851 8.032 6.020 1.00 13.23 O ATOM 1571 CB MET B 38 4.462 11.189 5.669 1.00 31.41 C ATOM 1572 CG MET B 38 5.202 10.502 4.532 1.00 10.33 C ATOM 1573 SD MET B 38 4.427 10.785 2.929 1.00 60.52 S ATOM 1574 CE MET B 38 4.977 12.454 2.578 1.00 3.30 C ATOM 0 H MET B 38 3.121 11.933 7.611 1.00 64.13 H new ATOM 0 HA MET B 38 2.584 10.169 5.441 1.00 24.40 H new ATOM 0 HB2 MET B 38 4.075 12.144 5.315 1.00 31.41 H new ATOM 0 HB3 MET B 38 5.167 11.409 6.470 1.00 31.41 H new ATOM 0 HG2 MET B 38 6.230 10.862 4.503 1.00 10.33 H new ATOM 0 HG3 MET B 38 5.245 9.430 4.727 1.00 10.33 H new ATOM 0 HE1 MET B 38 4.416 12.852 1.732 1.00 3.30 H new ATOM 0 HE2 MET B 38 4.810 13.083 3.452 1.00 3.30 H new ATOM 0 HE3 MET B 38 6.040 12.444 2.336 1.00 3.30 H new ATOM 1584 N LYS B 39 4.246 9.001 8.010 1.00 45.31 N ATOM 1585 CA LYS B 39 4.766 7.786 8.624 1.00 23.23 C ATOM 1586 C LYS B 39 3.769 6.639 8.489 1.00 4.23 C ATOM 1587 O LYS B 39 4.156 5.470 8.430 1.00 71.13 O ATOM 1588 CB LYS B 39 5.082 8.030 10.101 1.00 22.14 C ATOM 1589 CG LYS B 39 5.412 6.761 10.871 1.00 51.34 C ATOM 1590 CD LYS B 39 4.285 6.374 11.814 1.00 74.03 C ATOM 1591 CE LYS B 39 4.821 5.786 13.110 1.00 34.23 C ATOM 1592 NZ LYS B 39 4.218 6.436 14.306 1.00 34.31 N ATOM 0 H LYS B 39 4.235 9.813 8.627 1.00 45.31 H new ATOM 0 HA LYS B 39 5.683 7.510 8.104 1.00 23.23 H new ATOM 0 HB2 LYS B 39 5.923 8.719 10.175 1.00 22.14 H new ATOM 0 HB3 LYS B 39 4.228 8.518 10.571 1.00 22.14 H new ATOM 0 HG2 LYS B 39 5.598 5.947 10.170 1.00 51.34 H new ATOM 0 HG3 LYS B 39 6.330 6.908 11.440 1.00 51.34 H new ATOM 0 HD2 LYS B 39 3.677 7.251 12.035 1.00 74.03 H new ATOM 0 HD3 LYS B 39 3.634 5.649 11.326 1.00 74.03 H new ATOM 0 HE2 LYS B 39 4.615 4.716 13.136 1.00 34.23 H new ATOM 0 HE3 LYS B 39 5.904 5.903 13.141 1.00 34.23 H new ATOM 0 HZ1 LYS B 39 4.609 6.007 15.169 1.00 34.31 H new ATOM 0 HZ2 LYS B 39 4.436 7.453 14.295 1.00 34.31 H new ATOM 0 HZ3 LYS B 39 3.187 6.303 14.290 1.00 34.31 H new ATOM 1606 N LEU B 40 2.486 6.979 8.441 1.00 62.31 N ATOM 1607 CA LEU B 40 1.433 5.978 8.312 1.00 31.25 C ATOM 1608 C LEU B 40 1.504 5.285 6.954 1.00 42.01 C ATOM 1609 O LEU B 40 1.661 4.067 6.876 1.00 32.54 O ATOM 1610 CB LEU B 40 0.060 6.626 8.495 1.00 23.03 C ATOM 1611 CG LEU B 40 -0.605 6.416 9.856 1.00 71.32 C ATOM 1612 CD1 LEU B 40 -1.886 7.230 9.956 1.00 33.42 C ATOM 1613 CD2 LEU B 40 -0.890 4.939 10.088 1.00 63.35 C ATOM 0 H LEU B 40 2.150 7.941 8.489 1.00 62.31 H new ATOM 0 HA LEU B 40 1.581 5.229 9.090 1.00 31.25 H new ATOM 0 HB2 LEU B 40 0.160 7.698 8.324 1.00 23.03 H new ATOM 0 HB3 LEU B 40 -0.607 6.241 7.724 1.00 23.03 H new ATOM 0 HG LEU B 40 0.081 6.760 10.631 1.00 71.32 H new ATOM 0 HD11 LEU B 40 -2.345 7.068 10.931 1.00 33.42 H new ATOM 0 HD12 LEU B 40 -1.655 8.288 9.835 1.00 33.42 H new ATOM 0 HD13 LEU B 40 -2.577 6.918 9.173 1.00 33.42 H new ATOM 0 HD21 LEU B 40 -1.363 4.808 11.061 1.00 63.35 H new ATOM 0 HD22 LEU B 40 -1.556 4.570 9.308 1.00 63.35 H new ATOM 0 HD23 LEU B 40 0.045 4.379 10.061 1.00 63.35 H new ATOM 1625 N CYS B 41 1.389 6.071 5.889 1.00 24.12 N ATOM 1626 CA CYS B 41 1.443 5.533 4.534 1.00 13.40 C ATOM 1627 C CYS B 41 2.832 4.990 4.217 1.00 5.54 C ATOM 1628 O CYS B 41 2.987 4.112 3.370 1.00 2.44 O ATOM 1629 CB CYS B 41 1.061 6.613 3.520 1.00 43.12 C ATOM 1630 SG CYS B 41 2.307 7.906 3.316 1.00 72.22 S ATOM 0 H CYS B 41 1.258 7.081 5.937 1.00 24.12 H new ATOM 0 HA CYS B 41 0.729 4.712 4.468 1.00 13.40 H new ATOM 0 HB2 CYS B 41 0.880 6.142 2.554 1.00 43.12 H new ATOM 0 HB3 CYS B 41 0.123 7.073 3.831 1.00 43.12 H new ATOM 0 HG CYS B 41 2.997 8.021 4.412 1.00 72.22 H new ATOM 1636 N GLU B 42 3.838 5.519 4.905 1.00 64.42 N ATOM 1637 CA GLU B 42 5.216 5.088 4.695 1.00 65.22 C ATOM 1638 C GLU B 42 5.357 3.586 4.923 1.00 35.22 C ATOM 1639 O GLU B 42 6.255 2.947 4.377 1.00 71.32 O ATOM 1640 CB GLU B 42 6.160 5.848 5.630 1.00 32.40 C ATOM 1641 CG GLU B 42 7.078 6.820 4.909 1.00 71.21 C ATOM 1642 CD GLU B 42 8.326 7.144 5.706 1.00 64.03 C ATOM 1643 OE1 GLU B 42 9.171 6.241 5.879 1.00 32.12 O ATOM 1644 OE2 GLU B 42 8.459 8.301 6.159 1.00 75.50 O ATOM 0 H GLU B 42 3.726 6.246 5.612 1.00 64.42 H new ATOM 0 HA GLU B 42 5.485 5.308 3.662 1.00 65.22 H new ATOM 0 HB2 GLU B 42 5.568 6.396 6.363 1.00 32.40 H new ATOM 0 HB3 GLU B 42 6.766 5.130 6.182 1.00 32.40 H new ATOM 0 HG2 GLU B 42 7.366 6.396 3.947 1.00 71.21 H new ATOM 0 HG3 GLU B 42 6.534 7.742 4.702 1.00 71.21 H new ATOM 1652 N GLU B 43 4.462 3.030 5.734 1.00 41.05 N ATOM 1653 CA GLU B 43 4.488 1.604 6.035 1.00 14.51 C ATOM 1654 C GLU B 43 4.463 0.776 4.752 1.00 44.52 C ATOM 1655 O GLU B 43 4.962 -0.348 4.718 1.00 53.24 O ATOM 1656 CB GLU B 43 3.299 1.226 6.921 1.00 0.30 C ATOM 1657 CG GLU B 43 3.225 2.022 8.213 1.00 50.25 C ATOM 1658 CD GLU B 43 4.014 1.384 9.339 1.00 12.13 C ATOM 1659 OE1 GLU B 43 4.970 0.637 9.043 1.00 10.05 O ATOM 1660 OE2 GLU B 43 3.675 1.630 10.516 1.00 32.25 O ATOM 0 H GLU B 43 3.711 3.545 6.194 1.00 41.05 H new ATOM 0 HA GLU B 43 5.414 1.388 6.569 1.00 14.51 H new ATOM 0 HB2 GLU B 43 2.377 1.374 6.359 1.00 0.30 H new ATOM 0 HB3 GLU B 43 3.359 0.164 7.161 1.00 0.30 H new ATOM 0 HG2 GLU B 43 3.602 3.029 8.036 1.00 50.25 H new ATOM 0 HG3 GLU B 43 2.182 2.120 8.515 1.00 50.25 H new ATOM 1668 N ALA B 44 3.877 1.342 3.702 1.00 24.41 N ATOM 1669 CA ALA B 44 3.789 0.658 2.418 1.00 12.02 C ATOM 1670 C ALA B 44 5.156 0.152 1.969 1.00 21.02 C ATOM 1671 O ALA B 44 5.292 -0.989 1.528 1.00 61.13 O ATOM 1672 CB ALA B 44 3.196 1.584 1.366 1.00 43.22 C ATOM 0 H ALA B 44 3.457 2.271 3.715 1.00 24.41 H new ATOM 0 HA ALA B 44 3.134 -0.204 2.539 1.00 12.02 H new ATOM 0 HB1 ALA B 44 3.136 1.060 0.412 1.00 43.22 H new ATOM 0 HB2 ALA B 44 2.197 1.892 1.674 1.00 43.22 H new ATOM 0 HB3 ALA B 44 3.830 2.464 1.257 1.00 43.22 H new ATOM 1678 N ALA B 45 6.165 1.009 2.084 1.00 63.21 N ATOM 1679 CA ALA B 45 7.522 0.648 1.692 1.00 23.12 C ATOM 1680 C ALA B 45 8.143 -0.321 2.692 1.00 25.50 C ATOM 1681 O ALA B 45 9.073 -1.058 2.363 1.00 34.22 O ATOM 1682 CB ALA B 45 8.383 1.896 1.558 1.00 10.51 C ATOM 0 H ALA B 45 6.069 1.958 2.445 1.00 63.21 H new ATOM 0 HA ALA B 45 7.473 0.148 0.724 1.00 23.12 H new ATOM 0 HB1 ALA B 45 9.393 1.611 1.265 1.00 10.51 H new ATOM 0 HB2 ALA B 45 7.957 2.552 0.800 1.00 10.51 H new ATOM 0 HB3 ALA B 45 8.416 2.419 2.514 1.00 10.51 H new ATOM 1688 N LYS B 46 7.625 -0.314 3.916 1.00 13.23 N ATOM 1689 CA LYS B 46 8.128 -1.193 4.965 1.00 54.12 C ATOM 1690 C LYS B 46 7.621 -2.618 4.770 1.00 24.34 C ATOM 1691 O LYS B 46 8.400 -3.572 4.772 1.00 65.42 O ATOM 1692 CB LYS B 46 7.705 -0.673 6.341 1.00 53.12 C ATOM 1693 CG LYS B 46 8.873 -0.284 7.230 1.00 33.34 C ATOM 1694 CD LYS B 46 9.683 -1.499 7.649 1.00 31.14 C ATOM 1695 CE LYS B 46 11.160 -1.164 7.789 1.00 53.21 C ATOM 1696 NZ LYS B 46 11.975 -1.792 6.712 1.00 62.23 N ATOM 0 H LYS B 46 6.857 0.291 4.206 1.00 13.23 H new ATOM 0 HA LYS B 46 9.216 -1.202 4.906 1.00 54.12 H new ATOM 0 HB2 LYS B 46 7.056 0.193 6.209 1.00 53.12 H new ATOM 0 HB3 LYS B 46 7.116 -1.440 6.844 1.00 53.12 H new ATOM 0 HG2 LYS B 46 9.516 0.418 6.700 1.00 33.34 H new ATOM 0 HG3 LYS B 46 8.501 0.230 8.116 1.00 33.34 H new ATOM 0 HD2 LYS B 46 9.304 -1.881 8.597 1.00 31.14 H new ATOM 0 HD3 LYS B 46 9.557 -2.293 6.913 1.00 31.14 H new ATOM 0 HE2 LYS B 46 11.292 -0.082 7.760 1.00 53.21 H new ATOM 0 HE3 LYS B 46 11.519 -1.503 8.761 1.00 53.21 H new ATOM 0 HZ1 LYS B 46 12.976 -1.540 6.842 1.00 62.23 H new ATOM 0 HZ2 LYS B 46 11.870 -2.826 6.755 1.00 62.23 H new ATOM 0 HZ3 LYS B 46 11.649 -1.449 5.786 1.00 62.23 H new ATOM 1710 N LYS B 47 6.311 -2.758 4.600 1.00 41.22 N ATOM 1711 CA LYS B 47 5.699 -4.066 4.401 1.00 24.51 C ATOM 1712 C LYS B 47 6.053 -4.629 3.029 1.00 35.31 C ATOM 1713 O LYS B 47 6.558 -5.746 2.916 1.00 43.00 O ATOM 1714 CB LYS B 47 4.180 -3.970 4.549 1.00 55.34 C ATOM 1715 CG LYS B 47 3.693 -4.165 5.974 1.00 70.11 C ATOM 1716 CD LYS B 47 4.094 -3.002 6.865 1.00 24.42 C ATOM 1717 CE LYS B 47 3.767 -3.278 8.325 1.00 53.12 C ATOM 1718 NZ LYS B 47 4.926 -3.001 9.216 1.00 22.12 N ATOM 0 H LYS B 47 5.652 -1.980 4.596 1.00 41.22 H new ATOM 0 HA LYS B 47 6.089 -4.741 5.163 1.00 24.51 H new ATOM 0 HB2 LYS B 47 3.850 -2.995 4.192 1.00 55.34 H new ATOM 0 HB3 LYS B 47 3.713 -4.719 3.909 1.00 55.34 H new ATOM 0 HG2 LYS B 47 2.608 -4.270 5.977 1.00 70.11 H new ATOM 0 HG3 LYS B 47 4.104 -5.091 6.376 1.00 70.11 H new ATOM 0 HD2 LYS B 47 5.162 -2.814 6.760 1.00 24.42 H new ATOM 0 HD3 LYS B 47 3.578 -2.099 6.540 1.00 24.42 H new ATOM 0 HE2 LYS B 47 2.920 -2.663 8.630 1.00 53.12 H new ATOM 0 HE3 LYS B 47 3.463 -4.319 8.438 1.00 53.12 H new ATOM 0 HZ1 LYS B 47 4.662 -3.202 10.202 1.00 22.12 H new ATOM 0 HZ2 LYS B 47 5.727 -3.606 8.942 1.00 22.12 H new ATOM 0 HZ3 LYS B 47 5.201 -2.002 9.128 1.00 22.12 H new ATOM 1732 N ALA B 48 5.787 -3.848 1.987 1.00 42.21 N ATOM 1733 CA ALA B 48 6.080 -4.267 0.623 1.00 64.45 C ATOM 1734 C ALA B 48 7.526 -4.733 0.490 1.00 25.11 C ATOM 1735 O ALA B 48 7.838 -5.590 -0.335 1.00 34.34 O ATOM 1736 CB ALA B 48 5.799 -3.131 -0.350 1.00 33.13 C ATOM 0 H ALA B 48 5.369 -2.921 2.062 1.00 42.21 H new ATOM 0 HA ALA B 48 5.431 -5.108 0.381 1.00 64.45 H new ATOM 0 HB1 ALA B 48 6.022 -3.458 -1.365 1.00 33.13 H new ATOM 0 HB2 ALA B 48 4.749 -2.846 -0.283 1.00 33.13 H new ATOM 0 HB3 ALA B 48 6.424 -2.274 -0.099 1.00 33.13 H new ATOM 1742 N GLU B 49 8.404 -4.162 1.309 1.00 53.02 N ATOM 1743 CA GLU B 49 9.818 -4.519 1.281 1.00 53.14 C ATOM 1744 C GLU B 49 10.036 -5.921 1.843 1.00 61.42 C ATOM 1745 O GLU B 49 10.784 -6.718 1.278 1.00 75.24 O ATOM 1746 CB GLU B 49 10.638 -3.504 2.079 1.00 63.31 C ATOM 1747 CG GLU B 49 12.088 -3.916 2.279 1.00 72.33 C ATOM 1748 CD GLU B 49 13.061 -2.798 1.959 1.00 24.53 C ATOM 1749 OE1 GLU B 49 13.121 -1.823 2.737 1.00 72.22 O ATOM 1750 OE2 GLU B 49 13.763 -2.899 0.930 1.00 45.23 O ATOM 0 H GLU B 49 8.162 -3.451 1.999 1.00 53.02 H new ATOM 0 HA GLU B 49 10.150 -4.507 0.243 1.00 53.14 H new ATOM 0 HB2 GLU B 49 10.610 -2.543 1.566 1.00 63.31 H new ATOM 0 HB3 GLU B 49 10.172 -3.359 3.054 1.00 63.31 H new ATOM 0 HG2 GLU B 49 12.232 -4.234 3.312 1.00 72.33 H new ATOM 0 HG3 GLU B 49 12.308 -4.776 1.647 1.00 72.33 H new ATOM 1758 N GLU B 50 9.378 -6.213 2.960 1.00 50.30 N ATOM 1759 CA GLU B 50 9.500 -7.518 3.599 1.00 43.13 C ATOM 1760 C GLU B 50 8.740 -8.583 2.815 1.00 75.12 C ATOM 1761 O GLU B 50 9.164 -9.737 2.738 1.00 65.25 O ATOM 1762 CB GLU B 50 8.979 -7.458 5.037 1.00 75.25 C ATOM 1763 CG GLU B 50 8.863 -8.820 5.700 1.00 62.12 C ATOM 1764 CD GLU B 50 10.200 -9.526 5.818 1.00 23.12 C ATOM 1765 OE1 GLU B 50 11.212 -8.840 6.076 1.00 31.04 O ATOM 1766 OE2 GLU B 50 10.234 -10.763 5.653 1.00 23.52 O ATOM 0 H GLU B 50 8.755 -5.564 3.441 1.00 50.30 H new ATOM 0 HA GLU B 50 10.556 -7.788 3.614 1.00 43.13 H new ATOM 0 HB2 GLU B 50 9.645 -6.830 5.630 1.00 75.25 H new ATOM 0 HB3 GLU B 50 8.001 -6.977 5.040 1.00 75.25 H new ATOM 0 HG2 GLU B 50 8.430 -8.701 6.693 1.00 62.12 H new ATOM 0 HG3 GLU B 50 8.177 -9.442 5.126 1.00 62.12 H new ATOM 1774 N LEU B 51 7.612 -8.187 2.233 1.00 71.30 N ATOM 1775 CA LEU B 51 6.790 -9.107 1.454 1.00 1.31 C ATOM 1776 C LEU B 51 7.448 -9.425 0.115 1.00 0.02 C ATOM 1777 O LEU B 51 7.512 -10.584 -0.297 1.00 43.04 O ATOM 1778 CB LEU B 51 5.401 -8.509 1.223 1.00 2.14 C ATOM 1779 CG LEU B 51 4.501 -8.406 2.455 1.00 32.13 C ATOM 1780 CD1 LEU B 51 3.791 -7.061 2.486 1.00 22.51 C ATOM 1781 CD2 LEU B 51 3.492 -9.545 2.474 1.00 4.31 C ATOM 0 H LEU B 51 7.247 -7.236 2.286 1.00 71.30 H new ATOM 0 HA LEU B 51 6.691 -10.034 2.018 1.00 1.31 H new ATOM 0 HB2 LEU B 51 5.523 -7.511 0.802 1.00 2.14 H new ATOM 0 HB3 LEU B 51 4.888 -9.111 0.473 1.00 2.14 H new ATOM 0 HG LEU B 51 5.125 -8.485 3.345 1.00 32.13 H new ATOM 0 HD11 LEU B 51 3.155 -7.006 3.369 1.00 22.51 H new ATOM 0 HD12 LEU B 51 4.530 -6.260 2.520 1.00 22.51 H new ATOM 0 HD13 LEU B 51 3.179 -6.952 1.591 1.00 22.51 H new ATOM 0 HD21 LEU B 51 2.860 -9.456 3.357 1.00 4.31 H new ATOM 0 HD22 LEU B 51 2.873 -9.497 1.578 1.00 4.31 H new ATOM 0 HD23 LEU B 51 4.020 -10.498 2.500 1.00 4.31 H new ATOM 1793 N PHE B 52 7.938 -8.389 -0.558 1.00 51.12 N ATOM 1794 CA PHE B 52 8.593 -8.559 -1.850 1.00 52.13 C ATOM 1795 C PHE B 52 9.718 -9.586 -1.760 1.00 50.43 C ATOM 1796 O PHE B 52 9.967 -10.336 -2.703 1.00 72.14 O ATOM 1797 CB PHE B 52 9.148 -7.221 -2.344 1.00 41.44 C ATOM 1798 CG PHE B 52 10.004 -7.343 -3.571 1.00 72.22 C ATOM 1799 CD1 PHE B 52 11.364 -7.589 -3.462 1.00 11.21 C ATOM 1800 CD2 PHE B 52 9.450 -7.212 -4.834 1.00 71.51 C ATOM 1801 CE1 PHE B 52 12.153 -7.701 -4.590 1.00 71.40 C ATOM 1802 CE2 PHE B 52 10.235 -7.324 -5.966 1.00 61.34 C ATOM 1803 CZ PHE B 52 11.589 -7.570 -5.844 1.00 54.32 C ATOM 0 H PHE B 52 7.894 -7.424 -0.231 1.00 51.12 H new ATOM 0 HA PHE B 52 7.850 -8.922 -2.560 1.00 52.13 H new ATOM 0 HB2 PHE B 52 8.317 -6.548 -2.556 1.00 41.44 H new ATOM 0 HB3 PHE B 52 9.733 -6.763 -1.547 1.00 41.44 H new ATOM 0 HD1 PHE B 52 11.811 -7.694 -2.485 1.00 11.21 H new ATOM 0 HD2 PHE B 52 8.392 -7.020 -4.935 1.00 71.51 H new ATOM 0 HE1 PHE B 52 13.212 -7.891 -4.491 1.00 71.40 H new ATOM 0 HE2 PHE B 52 9.791 -7.219 -6.945 1.00 61.34 H new ATOM 0 HZ PHE B 52 12.205 -7.660 -6.727 1.00 54.32 H new ATOM 1813 N LYS B 53 10.394 -9.613 -0.616 1.00 32.24 N ATOM 1814 CA LYS B 53 11.492 -10.548 -0.400 1.00 42.31 C ATOM 1815 C LYS B 53 10.965 -11.953 -0.127 1.00 24.33 C ATOM 1816 O LYS B 53 11.570 -12.945 -0.537 1.00 42.23 O ATOM 1817 CB LYS B 53 12.362 -10.083 0.771 1.00 74.25 C ATOM 1818 CG LYS B 53 13.781 -9.723 0.368 1.00 21.25 C ATOM 1819 CD LYS B 53 14.007 -8.221 0.400 1.00 31.32 C ATOM 1820 CE LYS B 53 15.487 -7.881 0.473 1.00 64.24 C ATOM 1821 NZ LYS B 53 15.711 -6.445 0.796 1.00 64.45 N ATOM 0 H LYS B 53 10.201 -8.999 0.175 1.00 32.24 H new ATOM 0 HA LYS B 53 12.096 -10.575 -1.307 1.00 42.31 H new ATOM 0 HB2 LYS B 53 11.895 -9.216 1.238 1.00 74.25 H new ATOM 0 HB3 LYS B 53 12.396 -10.871 1.523 1.00 74.25 H new ATOM 0 HG2 LYS B 53 14.486 -10.212 1.040 1.00 21.25 H new ATOM 0 HG3 LYS B 53 13.982 -10.101 -0.635 1.00 21.25 H new ATOM 0 HD2 LYS B 53 13.572 -7.768 -0.491 1.00 31.32 H new ATOM 0 HD3 LYS B 53 13.492 -7.793 1.260 1.00 31.32 H new ATOM 0 HE2 LYS B 53 15.965 -8.502 1.230 1.00 64.24 H new ATOM 0 HE3 LYS B 53 15.961 -8.117 -0.480 1.00 64.24 H new ATOM 0 HZ1 LYS B 53 16.732 -6.254 0.837 1.00 64.45 H new ATOM 0 HZ2 LYS B 53 15.277 -5.852 0.060 1.00 64.45 H new ATOM 0 HZ3 LYS B 53 15.281 -6.225 1.717 1.00 64.45 H new ATOM 1835 N LEU B 54 9.834 -12.032 0.565 1.00 43.23 N ATOM 1836 CA LEU B 54 9.224 -13.316 0.891 1.00 3.23 C ATOM 1837 C LEU B 54 9.001 -14.149 -0.368 1.00 45.24 C ATOM 1838 O LEU B 54 8.994 -15.378 -0.318 1.00 54.54 O ATOM 1839 CB LEU B 54 7.895 -13.102 1.618 1.00 31.14 C ATOM 1840 CG LEU B 54 7.835 -13.589 3.066 1.00 0.10 C ATOM 1841 CD1 LEU B 54 8.105 -15.084 3.139 1.00 72.23 C ATOM 1842 CD2 LEU B 54 8.829 -12.823 3.926 1.00 3.35 C ATOM 0 H LEU B 54 9.321 -11.222 0.911 1.00 43.23 H new ATOM 0 HA LEU B 54 9.906 -13.858 1.546 1.00 3.23 H new ATOM 0 HB2 LEU B 54 7.664 -12.037 1.604 1.00 31.14 H new ATOM 0 HB3 LEU B 54 7.110 -13.606 1.054 1.00 31.14 H new ATOM 0 HG LEU B 54 6.832 -13.404 3.451 1.00 0.10 H new ATOM 0 HD11 LEU B 54 8.058 -15.412 4.177 1.00 72.23 H new ATOM 0 HD12 LEU B 54 7.355 -15.618 2.556 1.00 72.23 H new ATOM 0 HD13 LEU B 54 9.096 -15.295 2.736 1.00 72.23 H new ATOM 0 HD21 LEU B 54 8.773 -13.182 4.954 1.00 3.35 H new ATOM 0 HD22 LEU B 54 9.837 -12.977 3.542 1.00 3.35 H new ATOM 0 HD23 LEU B 54 8.590 -11.760 3.900 1.00 3.35 H new ATOM 1854 N ALA B 55 8.822 -13.468 -1.495 1.00 34.43 N ATOM 1855 CA ALA B 55 8.603 -14.145 -2.768 1.00 42.11 C ATOM 1856 C ALA B 55 9.891 -14.781 -3.280 1.00 51.02 C ATOM 1857 O ALA B 55 9.866 -15.853 -3.883 1.00 22.01 O ATOM 1858 CB ALA B 55 8.049 -13.169 -3.796 1.00 10.12 C ATOM 0 H ALA B 55 8.824 -12.450 -1.553 1.00 34.43 H new ATOM 0 HA ALA B 55 7.875 -14.940 -2.608 1.00 42.11 H new ATOM 0 HB1 ALA B 55 7.890 -13.688 -4.741 1.00 10.12 H new ATOM 0 HB2 ALA B 55 7.101 -12.765 -3.440 1.00 10.12 H new ATOM 0 HB3 ALA B 55 8.758 -12.355 -3.944 1.00 10.12 H new ATOM 1864 N GLU B 56 11.013 -14.111 -3.038 1.00 23.24 N ATOM 1865 CA GLU B 56 12.311 -14.612 -3.476 1.00 14.40 C ATOM 1866 C GLU B 56 12.529 -16.046 -3.003 1.00 41.10 C ATOM 1867 O GLU B 56 13.157 -16.849 -3.692 1.00 3.13 O ATOM 1868 CB GLU B 56 13.433 -13.713 -2.953 1.00 10.12 C ATOM 1869 CG GLU B 56 14.825 -14.219 -3.290 1.00 22.50 C ATOM 1870 CD GLU B 56 15.914 -13.481 -2.535 1.00 51.50 C ATOM 1871 OE1 GLU B 56 15.710 -13.189 -1.337 1.00 34.33 O ATOM 1872 OE2 GLU B 56 16.967 -13.193 -3.141 1.00 10.54 O ATOM 0 H GLU B 56 11.050 -13.221 -2.542 1.00 23.24 H new ATOM 0 HA GLU B 56 12.327 -14.602 -4.566 1.00 14.40 H new ATOM 0 HB2 GLU B 56 13.309 -12.713 -3.368 1.00 10.12 H new ATOM 0 HB3 GLU B 56 13.340 -13.623 -1.871 1.00 10.12 H new ATOM 0 HG2 GLU B 56 14.886 -15.283 -3.060 1.00 22.50 H new ATOM 0 HG3 GLU B 56 14.996 -14.114 -4.361 1.00 22.50 H new ATOM 1880 N GLU B 57 12.006 -16.359 -1.820 1.00 60.25 N ATOM 1881 CA GLU B 57 12.146 -17.695 -1.254 1.00 61.22 C ATOM 1882 C GLU B 57 11.392 -18.723 -2.093 1.00 71.22 C ATOM 1883 O GLU B 57 11.876 -19.833 -2.314 1.00 1.04 O ATOM 1884 CB GLU B 57 11.630 -17.718 0.186 1.00 30.30 C ATOM 1885 CG GLU B 57 11.940 -19.010 0.923 1.00 3.13 C ATOM 1886 CD GLU B 57 12.559 -18.770 2.286 1.00 0.03 C ATOM 1887 OE1 GLU B 57 11.833 -18.314 3.195 1.00 71.32 O ATOM 1888 OE2 GLU B 57 13.768 -19.039 2.445 1.00 5.51 O ATOM 0 H GLU B 57 11.483 -15.706 -1.237 1.00 60.25 H new ATOM 0 HA GLU B 57 13.204 -17.955 -1.258 1.00 61.22 H new ATOM 0 HB2 GLU B 57 12.068 -16.883 0.733 1.00 30.30 H new ATOM 0 HB3 GLU B 57 10.551 -17.563 0.179 1.00 30.30 H new ATOM 0 HG2 GLU B 57 11.022 -19.586 1.041 1.00 3.13 H new ATOM 0 HG3 GLU B 57 12.619 -19.613 0.321 1.00 3.13 H new ATOM 1896 N ARG B 58 10.206 -18.344 -2.556 1.00 33.43 N ATOM 1897 CA ARG B 58 9.384 -19.233 -3.370 1.00 4.55 C ATOM 1898 C ARG B 58 9.887 -19.273 -4.809 1.00 73.43 C ATOM 1899 O ARG B 58 9.717 -20.272 -5.511 1.00 45.45 O ATOM 1900 CB ARG B 58 7.924 -18.781 -3.340 1.00 55.12 C ATOM 1901 CG ARG B 58 7.268 -18.926 -1.977 1.00 43.12 C ATOM 1902 CD ARG B 58 7.410 -17.655 -1.153 1.00 44.10 C ATOM 1903 NE ARG B 58 6.589 -17.691 0.055 1.00 71.25 N ATOM 1904 CZ ARG B 58 6.879 -18.432 1.119 1.00 52.12 C ATOM 1905 NH1 ARG B 58 7.964 -19.194 1.125 1.00 55.24 N ATOM 1906 NH2 ARG B 58 6.082 -18.411 2.180 1.00 73.13 N ATOM 0 H ARG B 58 9.792 -17.428 -2.382 1.00 33.43 H new ATOM 0 HA ARG B 58 9.455 -20.237 -2.952 1.00 4.55 H new ATOM 0 HB2 ARG B 58 7.869 -17.738 -3.651 1.00 55.12 H new ATOM 0 HB3 ARG B 58 7.358 -19.361 -4.069 1.00 55.12 H new ATOM 0 HG2 ARG B 58 6.212 -19.163 -2.104 1.00 43.12 H new ATOM 0 HG3 ARG B 58 7.720 -19.761 -1.441 1.00 43.12 H new ATOM 0 HD2 ARG B 58 8.455 -17.517 -0.877 1.00 44.10 H new ATOM 0 HD3 ARG B 58 7.124 -16.796 -1.760 1.00 44.10 H new ATOM 0 HE ARG B 58 5.747 -17.116 0.083 1.00 71.25 H new ATOM 0 HH11 ARG B 58 8.579 -19.212 0.311 1.00 55.24 H new ATOM 0 HH12 ARG B 58 8.184 -19.762 1.943 1.00 55.24 H new ATOM 0 HH21 ARG B 58 5.247 -17.826 2.179 1.00 73.13 H new ATOM 0 HH22 ARG B 58 6.305 -18.980 2.997 1.00 73.13 H new ATOM 1920 N LEU B 59 10.507 -18.181 -5.244 1.00 14.22 N ATOM 1921 CA LEU B 59 11.034 -18.090 -6.601 1.00 33.23 C ATOM 1922 C LEU B 59 12.423 -18.716 -6.688 1.00 73.25 C ATOM 1923 O LEU B 59 12.602 -19.772 -7.294 1.00 31.31 O ATOM 1924 CB LEU B 59 11.092 -16.629 -7.050 1.00 52.30 C ATOM 1925 CG LEU B 59 11.193 -16.394 -8.558 1.00 33.31 C ATOM 1926 CD1 LEU B 59 12.506 -16.940 -9.096 1.00 62.41 C ATOM 1927 CD2 LEU B 59 10.013 -17.031 -9.278 1.00 71.12 C ATOM 0 H LEU B 59 10.657 -17.347 -4.677 1.00 14.22 H new ATOM 0 HA LEU B 59 10.365 -18.640 -7.262 1.00 33.23 H new ATOM 0 HB2 LEU B 59 10.201 -16.121 -6.682 1.00 52.30 H new ATOM 0 HB3 LEU B 59 11.949 -16.156 -6.571 1.00 52.30 H new ATOM 0 HG LEU B 59 11.167 -15.320 -8.741 1.00 33.31 H new ATOM 0 HD11 LEU B 59 12.560 -16.764 -10.170 1.00 62.41 H new ATOM 0 HD12 LEU B 59 13.338 -16.437 -8.603 1.00 62.41 H new ATOM 0 HD13 LEU B 59 12.562 -18.011 -8.901 1.00 62.41 H new ATOM 0 HD21 LEU B 59 10.102 -16.854 -10.350 1.00 71.12 H new ATOM 0 HD22 LEU B 59 10.007 -18.104 -9.087 1.00 71.12 H new ATOM 0 HD23 LEU B 59 9.084 -16.592 -8.913 1.00 71.12 H new ATOM 1939 N LYS B 60 13.402 -18.058 -6.078 1.00 54.53 N ATOM 1940 CA LYS B 60 14.774 -18.550 -6.082 1.00 32.31 C ATOM 1941 C LYS B 60 15.181 -19.043 -4.698 1.00 1.43 C ATOM 1942 O LYS B 60 14.364 -19.080 -3.776 1.00 43.24 O ATOM 1943 CB LYS B 60 15.731 -17.448 -6.543 1.00 75.21 C ATOM 1944 CG LYS B 60 15.439 -16.091 -5.928 1.00 50.23 C ATOM 1945 CD LYS B 60 14.810 -15.144 -6.936 1.00 34.23 C ATOM 1946 CE LYS B 60 15.450 -13.766 -6.882 1.00 70.10 C ATOM 1947 NZ LYS B 60 15.409 -13.082 -8.204 1.00 32.44 N ATOM 0 H LYS B 60 13.271 -17.181 -5.574 1.00 54.53 H new ATOM 0 HA LYS B 60 14.830 -19.388 -6.777 1.00 32.31 H new ATOM 0 HB2 LYS B 60 16.752 -17.738 -6.294 1.00 75.21 H new ATOM 0 HB3 LYS B 60 15.679 -17.364 -7.629 1.00 75.21 H new ATOM 0 HG2 LYS B 60 14.770 -16.213 -5.076 1.00 50.23 H new ATOM 0 HG3 LYS B 60 16.364 -15.657 -5.548 1.00 50.23 H new ATOM 0 HD2 LYS B 60 14.916 -15.556 -7.939 1.00 34.23 H new ATOM 0 HD3 LYS B 60 13.742 -15.058 -6.738 1.00 34.23 H new ATOM 0 HE2 LYS B 60 14.934 -13.155 -6.141 1.00 70.10 H new ATOM 0 HE3 LYS B 60 16.485 -13.859 -6.554 1.00 70.10 H new ATOM 0 HZ1 LYS B 60 15.855 -12.146 -8.125 1.00 32.44 H new ATOM 0 HZ2 LYS B 60 15.923 -13.652 -8.906 1.00 32.44 H new ATOM 0 HZ3 LYS B 60 14.420 -12.970 -8.506 1.00 32.44 H new ATOM 1961 N LYS B 61 16.447 -19.421 -4.557 1.00 13.20 N ATOM 1962 CA LYS B 61 16.963 -19.910 -3.284 1.00 13.44 C ATOM 1963 C LYS B 61 17.770 -18.829 -2.572 1.00 32.32 C ATOM 1964 O LYS B 61 18.717 -19.126 -1.844 1.00 4.35 O ATOM 1965 CB LYS B 61 17.833 -21.149 -3.505 1.00 1.41 C ATOM 1966 CG LYS B 61 17.050 -22.370 -3.957 1.00 50.11 C ATOM 1967 CD LYS B 61 17.238 -23.538 -3.004 1.00 42.00 C ATOM 1968 CE LYS B 61 16.072 -24.511 -3.077 1.00 51.31 C ATOM 1969 NZ LYS B 61 15.702 -25.035 -1.732 1.00 34.33 N ATOM 0 H LYS B 61 17.135 -19.398 -5.310 1.00 13.20 H new ATOM 0 HA LYS B 61 16.114 -20.177 -2.655 1.00 13.44 H new ATOM 0 HB2 LYS B 61 18.594 -20.920 -4.251 1.00 1.41 H new ATOM 0 HB3 LYS B 61 18.356 -21.386 -2.578 1.00 1.41 H new ATOM 0 HG2 LYS B 61 15.991 -22.120 -4.023 1.00 50.11 H new ATOM 0 HG3 LYS B 61 17.372 -22.660 -4.957 1.00 50.11 H new ATOM 0 HD2 LYS B 61 18.164 -24.060 -3.245 1.00 42.00 H new ATOM 0 HD3 LYS B 61 17.338 -23.165 -1.985 1.00 42.00 H new ATOM 0 HE2 LYS B 61 15.211 -24.013 -3.522 1.00 51.31 H new ATOM 0 HE3 LYS B 61 16.333 -25.343 -3.732 1.00 51.31 H new ATOM 0 HZ1 LYS B 61 14.903 -25.695 -1.824 1.00 34.33 H new ATOM 0 HZ2 LYS B 61 16.516 -25.532 -1.317 1.00 34.33 H new ATOM 0 HZ3 LYS B 61 15.428 -24.244 -1.115 1.00 34.33 H new ATOM 1983 N LEU B 62 17.388 -17.575 -2.788 1.00 21.30 N ATOM 1984 CA LEU B 62 18.077 -16.448 -2.166 1.00 33.03 C ATOM 1985 C LEU B 62 19.574 -16.501 -2.450 1.00 34.20 C ATOM 1986 O LEU B 62 20.167 -15.465 -2.747 1.00 35.21 O ATOM 1987 CB LEU B 62 17.832 -16.448 -0.656 1.00 64.22 C ATOM 1988 CG LEU B 62 16.371 -16.367 -0.212 1.00 52.03 C ATOM 1989 CD1 LEU B 62 15.865 -17.737 0.209 1.00 4.42 C ATOM 1990 CD2 LEU B 62 16.213 -15.365 0.923 1.00 15.11 C ATOM 0 H LEU B 62 16.606 -17.313 -3.388 1.00 21.30 H new ATOM 0 HA LEU B 62 17.678 -15.528 -2.593 1.00 33.03 H new ATOM 0 HB2 LEU B 62 18.268 -17.355 -0.238 1.00 64.22 H new ATOM 0 HB3 LEU B 62 18.370 -15.606 -0.221 1.00 64.22 H new ATOM 0 HG LEU B 62 15.773 -16.025 -1.057 1.00 52.03 H new ATOM 0 HD11 LEU B 62 14.824 -17.660 0.522 1.00 4.42 H new ATOM 0 HD12 LEU B 62 15.941 -18.427 -0.631 1.00 4.42 H new ATOM 0 HD13 LEU B 62 16.467 -18.108 1.039 1.00 4.42 H new ATOM 0 HD21 LEU B 62 15.167 -15.321 1.226 1.00 15.11 H new ATOM 0 HD22 LEU B 62 16.823 -15.676 1.771 1.00 15.11 H new ATOM 0 HD23 LEU B 62 16.535 -14.380 0.586 1.00 15.11 H new