USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=10 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+ -151:sc= 1.19 (180deg=0.517) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -159:sc= -2.13 (180deg=-3.22) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 40:sc= 0.978 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+ 163:sc= 0 (180deg=-0.0865) 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+ 180:sc= 0 (180deg=0) 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+ -143:sc= 0.0677 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.12) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -172:sc= -4.08 (180deg=-4.28) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -13:sc= -0.0478 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+ 163:sc=-0.00655 (180deg=-0.0931) 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 -14.086 19.056 -2.352 1.00 32.23 N ATOM 19 CA LYS A 2 -12.988 19.748 -3.017 1.00 73.41 C ATOM 20 C LYS A 2 -12.262 18.815 -3.980 1.00 5.51 C ATOM 21 O LYS A 2 -12.619 17.645 -4.118 1.00 35.33 O ATOM 22 CB LYS A 2 -12.004 20.298 -1.982 1.00 52.33 C ATOM 23 CG LYS A 2 -12.174 21.783 -1.712 1.00 13.22 C ATOM 24 CD LYS A 2 -11.794 22.618 -2.923 1.00 1.53 C ATOM 25 CE LYS A 2 -12.791 23.743 -3.159 1.00 64.04 C ATOM 26 NZ LYS A 2 -13.747 23.416 -4.253 1.00 62.41 N ATOM 0 HA LYS A 2 -13.406 20.577 -3.588 1.00 73.41 H new ATOM 0 HB2 LYS A 2 -12.128 19.751 -1.048 1.00 52.33 H new ATOM 0 HB3 LYS A 2 -10.986 20.114 -2.326 1.00 52.33 H new ATOM 0 HG2 LYS A 2 -13.209 21.988 -1.438 1.00 13.22 H new ATOM 0 HG3 LYS A 2 -11.556 22.072 -0.862 1.00 13.22 H new ATOM 0 HD2 LYS A 2 -10.798 23.037 -2.779 1.00 1.53 H new ATOM 0 HD3 LYS A 2 -11.747 21.980 -3.806 1.00 1.53 H new ATOM 0 HE2 LYS A 2 -13.344 23.937 -2.240 1.00 64.04 H new ATOM 0 HE3 LYS A 2 -12.254 24.658 -3.408 1.00 64.04 H new ATOM 0 HZ1 LYS A 2 -14.410 24.207 -4.383 1.00 62.41 H new ATOM 0 HZ2 LYS A 2 -13.222 23.255 -5.136 1.00 62.41 H new ATOM 0 HZ3 LYS A 2 -14.278 22.557 -4.005 1.00 62.41 H new ATOM 40 N LYS A 3 -11.236 19.339 -4.643 1.00 43.12 N ATOM 41 CA LYS A 3 -10.455 18.553 -5.591 1.00 74.25 C ATOM 42 C LYS A 3 -8.966 18.640 -5.274 1.00 3.11 C ATOM 43 O LYS A 3 -8.274 17.623 -5.211 1.00 1.10 O ATOM 44 CB LYS A 3 -10.713 19.037 -7.020 1.00 51.21 C ATOM 45 CG LYS A 3 -12.095 18.686 -7.541 1.00 72.41 C ATOM 46 CD LYS A 3 -12.957 19.925 -7.718 1.00 50.13 C ATOM 47 CE LYS A 3 -12.933 20.420 -9.156 1.00 52.31 C ATOM 48 NZ LYS A 3 -14.067 19.872 -9.950 1.00 34.43 N ATOM 0 H LYS A 3 -10.926 20.305 -4.541 1.00 43.12 H new ATOM 0 HA LYS A 3 -10.766 17.512 -5.505 1.00 74.25 H new ATOM 0 HB2 LYS A 3 -10.584 20.119 -7.057 1.00 51.21 H new ATOM 0 HB3 LYS A 3 -9.963 18.604 -7.682 1.00 51.21 H new ATOM 0 HG2 LYS A 3 -12.004 18.166 -8.495 1.00 72.41 H new ATOM 0 HG3 LYS A 3 -12.582 17.999 -6.849 1.00 72.41 H new ATOM 0 HD2 LYS A 3 -13.983 19.700 -7.427 1.00 50.13 H new ATOM 0 HD3 LYS A 3 -12.603 20.714 -7.055 1.00 50.13 H new ATOM 0 HE2 LYS A 3 -12.976 21.509 -9.166 1.00 52.31 H new ATOM 0 HE3 LYS A 3 -11.991 20.134 -9.623 1.00 52.31 H new ATOM 0 HZ1 LYS A 3 -14.015 20.233 -10.924 1.00 34.43 H new ATOM 0 HZ2 LYS A 3 -14.012 18.834 -9.962 1.00 34.43 H new ATOM 0 HZ3 LYS A 3 -14.967 20.166 -9.519 1.00 34.43 H new ATOM 62 N LEU A 4 -8.478 19.860 -5.074 1.00 73.33 N ATOM 63 CA LEU A 4 -7.070 20.080 -4.762 1.00 33.52 C ATOM 64 C LEU A 4 -6.633 19.214 -3.585 1.00 54.21 C ATOM 65 O LEU A 4 -5.826 18.298 -3.741 1.00 63.13 O ATOM 66 CB LEU A 4 -6.822 21.556 -4.446 1.00 74.22 C ATOM 67 CG LEU A 4 -6.483 22.450 -5.638 1.00 62.04 C ATOM 68 CD1 LEU A 4 -5.134 22.066 -6.226 1.00 23.31 C ATOM 69 CD2 LEU A 4 -7.572 22.364 -6.697 1.00 72.13 C ATOM 0 H LEU A 4 -9.037 20.712 -5.122 1.00 73.33 H new ATOM 0 HA LEU A 4 -6.480 19.799 -5.635 1.00 33.52 H new ATOM 0 HB2 LEU A 4 -7.711 21.957 -3.958 1.00 74.22 H new ATOM 0 HB3 LEU A 4 -6.007 21.621 -3.726 1.00 74.22 H new ATOM 0 HG LEU A 4 -6.425 23.481 -5.289 1.00 62.04 H new ATOM 0 HD11 LEU A 4 -4.909 22.713 -7.074 1.00 23.31 H new ATOM 0 HD12 LEU A 4 -4.360 22.181 -5.467 1.00 23.31 H new ATOM 0 HD13 LEU A 4 -5.164 21.029 -6.559 1.00 23.31 H new ATOM 0 HD21 LEU A 4 -7.313 23.007 -7.538 1.00 72.13 H new ATOM 0 HD22 LEU A 4 -7.663 21.334 -7.042 1.00 72.13 H new ATOM 0 HD23 LEU A 4 -8.521 22.689 -6.270 1.00 72.13 H new ATOM 81 N ARG A 5 -7.171 19.511 -2.407 1.00 15.43 N ATOM 82 CA ARG A 5 -6.837 18.760 -1.203 1.00 54.42 C ATOM 83 C ARG A 5 -7.364 17.331 -1.289 1.00 42.24 C ATOM 84 O ARG A 5 -6.721 16.393 -0.819 1.00 11.41 O ATOM 85 CB ARG A 5 -7.413 19.454 0.033 1.00 34.12 C ATOM 86 CG ARG A 5 -8.916 19.674 -0.037 1.00 12.24 C ATOM 87 CD ARG A 5 -9.332 20.925 0.722 1.00 70.24 C ATOM 88 NE ARG A 5 -9.214 22.126 -0.100 1.00 52.12 N ATOM 89 CZ ARG A 5 -9.540 23.342 0.325 1.00 1.32 C ATOM 90 NH1 ARG A 5 -10.002 23.515 1.556 1.00 42.30 N ATOM 91 NH2 ARG A 5 -9.405 24.387 -0.481 1.00 50.10 N ATOM 0 H ARG A 5 -7.840 20.267 -2.261 1.00 15.43 H new ATOM 0 HA ARG A 5 -5.751 18.723 -1.118 1.00 54.42 H new ATOM 0 HB2 ARG A 5 -7.182 18.857 0.915 1.00 34.12 H new ATOM 0 HB3 ARG A 5 -6.919 20.417 0.162 1.00 34.12 H new ATOM 0 HG2 ARG A 5 -9.224 19.760 -1.079 1.00 12.24 H new ATOM 0 HG3 ARG A 5 -9.431 18.807 0.377 1.00 12.24 H new ATOM 0 HD2 ARG A 5 -10.362 20.818 1.062 1.00 70.24 H new ATOM 0 HD3 ARG A 5 -8.712 21.032 1.612 1.00 70.24 H new ATOM 0 HE ARG A 5 -8.862 22.026 -1.052 1.00 52.12 H new ATOM 0 HH11 ARG A 5 -10.108 22.714 2.178 1.00 42.30 H new ATOM 0 HH12 ARG A 5 -10.252 24.449 1.880 1.00 42.30 H new ATOM 0 HH21 ARG A 5 -9.050 24.258 -1.429 1.00 50.10 H new ATOM 0 HH22 ARG A 5 -9.656 25.320 -0.153 1.00 50.10 H new ATOM 105 N GLU A 6 -8.538 17.174 -1.894 1.00 35.03 N ATOM 106 CA GLU A 6 -9.151 15.859 -2.040 1.00 13.31 C ATOM 107 C GLU A 6 -8.191 14.884 -2.715 1.00 13.34 C ATOM 108 O GLU A 6 -8.265 13.675 -2.498 1.00 74.13 O ATOM 109 CB GLU A 6 -10.444 15.963 -2.851 1.00 32.12 C ATOM 110 CG GLU A 6 -11.356 14.757 -2.701 1.00 64.31 C ATOM 111 CD GLU A 6 -11.367 13.876 -3.936 1.00 11.45 C ATOM 112 OE1 GLU A 6 -12.367 13.157 -4.142 1.00 52.23 O ATOM 113 OE2 GLU A 6 -10.377 13.907 -4.695 1.00 64.43 O ATOM 0 H GLU A 6 -9.082 17.940 -2.290 1.00 35.03 H new ATOM 0 HA GLU A 6 -9.384 15.482 -1.044 1.00 13.31 H new ATOM 0 HB2 GLU A 6 -10.985 16.858 -2.543 1.00 32.12 H new ATOM 0 HB3 GLU A 6 -10.193 16.089 -3.904 1.00 32.12 H new ATOM 0 HG2 GLU A 6 -11.035 14.168 -1.842 1.00 64.31 H new ATOM 0 HG3 GLU A 6 -12.370 15.097 -2.493 1.00 64.31 H new ATOM 121 N GLU A 7 -7.291 15.419 -3.534 1.00 52.20 N ATOM 122 CA GLU A 7 -6.318 14.596 -4.241 1.00 71.30 C ATOM 123 C GLU A 7 -5.499 13.759 -3.261 1.00 65.15 C ATOM 124 O GLU A 7 -5.432 12.536 -3.379 1.00 11.23 O ATOM 125 CB GLU A 7 -5.388 15.474 -5.080 1.00 62.33 C ATOM 126 CG GLU A 7 -6.065 16.089 -6.295 1.00 5.53 C ATOM 127 CD GLU A 7 -5.338 15.776 -7.588 1.00 45.05 C ATOM 128 OE1 GLU A 7 -4.129 16.075 -7.676 1.00 41.15 O ATOM 129 OE2 GLU A 7 -5.979 15.232 -8.512 1.00 41.22 O ATOM 0 H GLU A 7 -7.216 16.418 -3.724 1.00 52.20 H new ATOM 0 HA GLU A 7 -6.863 13.921 -4.902 1.00 71.30 H new ATOM 0 HB2 GLU A 7 -4.991 16.272 -4.453 1.00 62.33 H new ATOM 0 HB3 GLU A 7 -4.539 14.877 -5.411 1.00 62.33 H new ATOM 0 HG2 GLU A 7 -7.089 15.722 -6.360 1.00 5.53 H new ATOM 0 HG3 GLU A 7 -6.121 17.170 -6.167 1.00 5.53 H new ATOM 137 N ALA A 8 -4.877 14.429 -2.297 1.00 2.12 N ATOM 138 CA ALA A 8 -4.064 13.748 -1.297 1.00 51.31 C ATOM 139 C ALA A 8 -4.847 12.628 -0.623 1.00 4.33 C ATOM 140 O ALA A 8 -4.270 11.639 -0.170 1.00 52.43 O ATOM 141 CB ALA A 8 -3.561 14.743 -0.261 1.00 33.21 C ATOM 0 H ALA A 8 -4.920 15.442 -2.187 1.00 2.12 H new ATOM 0 HA ALA A 8 -3.207 13.302 -1.802 1.00 51.31 H new ATOM 0 HB1 ALA A 8 -2.955 14.222 0.480 1.00 33.21 H new ATOM 0 HB2 ALA A 8 -2.957 15.506 -0.752 1.00 33.21 H new ATOM 0 HB3 ALA A 8 -4.410 15.215 0.232 1.00 33.21 H new ATOM 147 N ALA A 9 -6.165 12.790 -0.557 1.00 65.55 N ATOM 148 CA ALA A 9 -7.026 11.790 0.061 1.00 32.44 C ATOM 149 C ALA A 9 -7.174 10.563 -0.832 1.00 33.42 C ATOM 150 O ALA A 9 -7.147 9.428 -0.356 1.00 51.41 O ATOM 151 CB ALA A 9 -8.391 12.388 0.369 1.00 55.02 C ATOM 0 H ALA A 9 -6.659 13.604 -0.924 1.00 65.55 H new ATOM 0 HA ALA A 9 -6.560 11.473 0.994 1.00 32.44 H new ATOM 0 HB1 ALA A 9 -9.024 11.630 0.830 1.00 55.02 H new ATOM 0 HB2 ALA A 9 -8.274 13.229 1.053 1.00 55.02 H new ATOM 0 HB3 ALA A 9 -8.854 12.734 -0.555 1.00 55.02 H new ATOM 157 N LYS A 10 -7.330 10.798 -2.131 1.00 34.20 N ATOM 158 CA LYS A 10 -7.482 9.712 -3.092 1.00 12.31 C ATOM 159 C LYS A 10 -6.230 8.842 -3.131 1.00 44.55 C ATOM 160 O LYS A 10 -6.310 7.628 -3.330 1.00 53.40 O ATOM 161 CB LYS A 10 -7.769 10.274 -4.486 1.00 31.53 C ATOM 162 CG LYS A 10 -8.830 11.362 -4.496 1.00 64.55 C ATOM 163 CD LYS A 10 -9.760 11.223 -5.690 1.00 23.53 C ATOM 164 CE LYS A 10 -11.129 10.709 -5.273 1.00 61.12 C ATOM 165 NZ LYS A 10 -11.202 9.222 -5.318 1.00 45.31 N ATOM 0 H LYS A 10 -7.354 11.731 -2.542 1.00 34.20 H new ATOM 0 HA LYS A 10 -8.323 9.095 -2.776 1.00 12.31 H new ATOM 0 HB2 LYS A 10 -6.846 10.675 -4.904 1.00 31.53 H new ATOM 0 HB3 LYS A 10 -8.088 9.461 -5.138 1.00 31.53 H new ATOM 0 HG2 LYS A 10 -9.410 11.314 -3.574 1.00 64.55 H new ATOM 0 HG3 LYS A 10 -8.349 12.340 -4.520 1.00 64.55 H new ATOM 0 HD2 LYS A 10 -9.868 12.189 -6.183 1.00 23.53 H new ATOM 0 HD3 LYS A 10 -9.320 10.541 -6.418 1.00 23.53 H new ATOM 0 HE2 LYS A 10 -11.354 11.053 -4.263 1.00 61.12 H new ATOM 0 HE3 LYS A 10 -11.890 11.130 -5.930 1.00 61.12 H new ATOM 0 HZ1 LYS A 10 -12.180 8.928 -5.517 1.00 45.31 H new ATOM 0 HZ2 LYS A 10 -10.575 8.866 -6.067 1.00 45.31 H new ATOM 0 HZ3 LYS A 10 -10.903 8.832 -4.402 1.00 45.31 H new ATOM 179 N LEU A 11 -5.074 9.468 -2.941 1.00 4.13 N ATOM 180 CA LEU A 11 -3.804 8.750 -2.952 1.00 63.35 C ATOM 181 C LEU A 11 -3.845 7.554 -2.007 1.00 74.15 C ATOM 182 O LEU A 11 -3.392 6.462 -2.351 1.00 75.23 O ATOM 183 CB LEU A 11 -2.661 9.687 -2.558 1.00 14.13 C ATOM 184 CG LEU A 11 -2.479 10.928 -3.431 1.00 54.43 C ATOM 185 CD1 LEU A 11 -1.245 11.707 -3.002 1.00 43.42 C ATOM 186 CD2 LEU A 11 -2.383 10.539 -4.899 1.00 21.11 C ATOM 0 H LEU A 11 -4.990 10.471 -2.777 1.00 4.13 H new ATOM 0 HA LEU A 11 -3.632 8.384 -3.964 1.00 63.35 H new ATOM 0 HB2 LEU A 11 -2.822 10.011 -1.530 1.00 14.13 H new ATOM 0 HB3 LEU A 11 -1.731 9.119 -2.571 1.00 14.13 H new ATOM 0 HG LEU A 11 -3.351 11.569 -3.302 1.00 54.43 H new ATOM 0 HD11 LEU A 11 -1.132 12.587 -3.635 1.00 43.42 H new ATOM 0 HD12 LEU A 11 -1.354 12.019 -1.963 1.00 43.42 H new ATOM 0 HD13 LEU A 11 -0.363 11.074 -3.100 1.00 43.42 H new ATOM 0 HD21 LEU A 11 -2.254 11.436 -5.505 1.00 21.11 H new ATOM 0 HD22 LEU A 11 -1.530 9.876 -5.045 1.00 21.11 H new ATOM 0 HD23 LEU A 11 -3.297 10.026 -5.200 1.00 21.11 H new ATOM 198 N PHE A 12 -4.394 7.767 -0.816 1.00 65.43 N ATOM 199 CA PHE A 12 -4.496 6.706 0.179 1.00 31.14 C ATOM 200 C PHE A 12 -5.589 5.709 -0.198 1.00 44.24 C ATOM 201 O PHE A 12 -5.552 4.549 0.209 1.00 32.04 O ATOM 202 CB PHE A 12 -4.786 7.298 1.559 1.00 14.42 C ATOM 203 CG PHE A 12 -3.670 8.150 2.093 1.00 24.31 C ATOM 204 CD1 PHE A 12 -2.351 7.737 1.980 1.00 73.32 C ATOM 205 CD2 PHE A 12 -3.938 9.362 2.707 1.00 1.03 C ATOM 206 CE1 PHE A 12 -1.322 8.518 2.471 1.00 72.33 C ATOM 207 CE2 PHE A 12 -2.913 10.148 3.200 1.00 61.54 C ATOM 208 CZ PHE A 12 -1.604 9.725 3.080 1.00 42.53 C ATOM 0 H PHE A 12 -4.775 8.664 -0.516 1.00 65.43 H new ATOM 0 HA PHE A 12 -3.542 6.179 0.210 1.00 31.14 H new ATOM 0 HB2 PHE A 12 -5.695 7.897 1.505 1.00 14.42 H new ATOM 0 HB3 PHE A 12 -4.980 6.486 2.260 1.00 14.42 H new ATOM 0 HD1 PHE A 12 -2.125 6.795 1.503 1.00 73.32 H new ATOM 0 HD2 PHE A 12 -4.960 9.697 2.802 1.00 1.03 H new ATOM 0 HE1 PHE A 12 -0.299 8.185 2.379 1.00 72.33 H new ATOM 0 HE2 PHE A 12 -3.136 11.091 3.678 1.00 61.54 H new ATOM 0 HZ PHE A 12 -0.801 10.338 3.462 1.00 42.53 H new ATOM 218 N GLU A 13 -6.559 6.171 -0.981 1.00 53.34 N ATOM 219 CA GLU A 13 -7.662 5.322 -1.412 1.00 71.42 C ATOM 220 C GLU A 13 -7.143 4.079 -2.130 1.00 24.05 C ATOM 221 O GLU A 13 -7.653 2.977 -1.930 1.00 12.12 O ATOM 222 CB GLU A 13 -8.603 6.100 -2.334 1.00 72.52 C ATOM 223 CG GLU A 13 -10.071 5.954 -1.969 1.00 22.44 C ATOM 224 CD GLU A 13 -10.954 6.956 -2.686 1.00 44.00 C ATOM 225 OE1 GLU A 13 -12.050 6.563 -3.139 1.00 25.13 O ATOM 226 OE2 GLU A 13 -10.550 8.131 -2.795 1.00 52.35 O ATOM 0 H GLU A 13 -6.603 7.129 -1.329 1.00 53.34 H new ATOM 0 HA GLU A 13 -8.212 5.006 -0.525 1.00 71.42 H new ATOM 0 HB2 GLU A 13 -8.334 7.156 -2.307 1.00 72.52 H new ATOM 0 HB3 GLU A 13 -8.457 5.760 -3.359 1.00 72.52 H new ATOM 0 HG2 GLU A 13 -10.403 4.944 -2.211 1.00 22.44 H new ATOM 0 HG3 GLU A 13 -10.188 6.078 -0.892 1.00 22.44 H new ATOM 234 N GLU A 14 -6.126 4.266 -2.965 1.00 24.31 N ATOM 235 CA GLU A 14 -5.539 3.160 -3.713 1.00 21.24 C ATOM 236 C GLU A 14 -4.880 2.157 -2.771 1.00 64.53 C ATOM 237 O GLU A 14 -4.896 0.951 -3.022 1.00 11.10 O ATOM 238 CB GLU A 14 -4.511 3.684 -4.717 1.00 61.44 C ATOM 239 CG GLU A 14 -5.014 4.852 -5.549 1.00 44.25 C ATOM 240 CD GLU A 14 -4.339 4.936 -6.905 1.00 61.33 C ATOM 241 OE1 GLU A 14 -4.490 3.985 -7.701 1.00 60.33 O ATOM 242 OE2 GLU A 14 -3.662 5.950 -7.170 1.00 12.41 O ATOM 0 H GLU A 14 -5.692 5.172 -3.141 1.00 24.31 H new ATOM 0 HA GLU A 14 -6.339 2.654 -4.253 1.00 21.24 H new ATOM 0 HB2 GLU A 14 -3.614 3.991 -4.179 1.00 61.44 H new ATOM 0 HB3 GLU A 14 -4.220 2.872 -5.384 1.00 61.44 H new ATOM 0 HG2 GLU A 14 -6.091 4.757 -5.689 1.00 44.25 H new ATOM 0 HG3 GLU A 14 -4.844 5.781 -5.005 1.00 44.25 H new ATOM 250 N TRP A 15 -4.301 2.662 -1.688 1.00 63.31 N ATOM 251 CA TRP A 15 -3.635 1.809 -0.709 1.00 15.13 C ATOM 252 C TRP A 15 -4.632 0.872 -0.036 1.00 52.02 C ATOM 253 O TRP A 15 -4.379 -0.325 0.099 1.00 72.31 O ATOM 254 CB TRP A 15 -2.929 2.664 0.345 1.00 54.21 C ATOM 255 CG TRP A 15 -1.922 1.901 1.151 1.00 50.01 C ATOM 256 CD1 TRP A 15 -1.576 0.589 0.999 1.00 44.53 C ATOM 257 CD2 TRP A 15 -1.132 2.404 2.234 1.00 75.55 C ATOM 258 NE1 TRP A 15 -0.618 0.246 1.923 1.00 71.10 N ATOM 259 CE2 TRP A 15 -0.329 1.342 2.692 1.00 42.31 C ATOM 260 CE3 TRP A 15 -1.025 3.649 2.860 1.00 23.12 C ATOM 261 CZ2 TRP A 15 0.568 1.489 3.747 1.00 20.15 C ATOM 262 CZ3 TRP A 15 -0.134 3.793 3.908 1.00 74.21 C ATOM 263 CH2 TRP A 15 0.652 2.718 4.342 1.00 44.43 C ATOM 0 H TRP A 15 -4.279 3.657 -1.465 1.00 63.31 H new ATOM 0 HA TRP A 15 -2.894 1.205 -1.234 1.00 15.13 H new ATOM 0 HB2 TRP A 15 -2.432 3.499 -0.148 1.00 54.21 H new ATOM 0 HB3 TRP A 15 -3.675 3.089 1.017 1.00 54.21 H new ATOM 0 HD1 TRP A 15 -1.993 -0.081 0.262 1.00 44.53 H new ATOM 0 HE1 TRP A 15 -0.191 -0.675 2.020 1.00 71.10 H new ATOM 0 HE3 TRP A 15 -1.627 4.483 2.531 1.00 23.12 H new ATOM 0 HZ2 TRP A 15 1.176 0.662 4.084 1.00 20.15 H new ATOM 0 HZ3 TRP A 15 -0.043 4.750 4.400 1.00 74.21 H new ATOM 0 HH2 TRP A 15 1.338 2.862 5.163 1.00 44.43 H new ATOM 274 N LYS A 16 -5.766 1.423 0.383 1.00 50.33 N ATOM 275 CA LYS A 16 -6.803 0.636 1.040 1.00 2.31 C ATOM 276 C LYS A 16 -7.600 -0.172 0.022 1.00 63.04 C ATOM 277 O LYS A 16 -8.151 -1.225 0.343 1.00 30.31 O ATOM 278 CB LYS A 16 -7.742 1.550 1.830 1.00 15.00 C ATOM 279 CG LYS A 16 -8.683 2.359 0.953 1.00 3.40 C ATOM 280 CD LYS A 16 -9.651 3.183 1.786 1.00 42.30 C ATOM 281 CE LYS A 16 -10.936 2.420 2.066 1.00 60.02 C ATOM 282 NZ LYS A 16 -11.852 2.427 0.892 1.00 54.33 N ATOM 0 H LYS A 16 -5.991 2.413 0.279 1.00 50.33 H new ATOM 0 HA LYS A 16 -6.318 -0.057 1.727 1.00 2.31 H new ATOM 0 HB2 LYS A 16 -8.331 0.944 2.518 1.00 15.00 H new ATOM 0 HB3 LYS A 16 -7.146 2.233 2.436 1.00 15.00 H new ATOM 0 HG2 LYS A 16 -8.103 3.019 0.308 1.00 3.40 H new ATOM 0 HG3 LYS A 16 -9.242 1.688 0.302 1.00 3.40 H new ATOM 0 HD2 LYS A 16 -9.178 3.459 2.728 1.00 42.30 H new ATOM 0 HD3 LYS A 16 -9.884 4.110 1.263 1.00 42.30 H new ATOM 0 HE2 LYS A 16 -10.696 1.391 2.334 1.00 60.02 H new ATOM 0 HE3 LYS A 16 -11.442 2.863 2.924 1.00 60.02 H new ATOM 0 HZ1 LYS A 16 -12.716 1.897 1.123 1.00 54.33 H new ATOM 0 HZ2 LYS A 16 -12.101 3.408 0.652 1.00 54.33 H new ATOM 0 HZ3 LYS A 16 -11.379 1.981 0.080 1.00 54.33 H new ATOM 296 N LYS A 17 -7.657 0.327 -1.209 1.00 23.52 N ATOM 297 CA LYS A 17 -8.385 -0.351 -2.276 1.00 1.32 C ATOM 298 C LYS A 17 -7.612 -1.567 -2.775 1.00 5.22 C ATOM 299 O LYS A 17 -8.101 -2.695 -2.711 1.00 45.03 O ATOM 300 CB LYS A 17 -8.643 0.614 -3.436 1.00 3.20 C ATOM 301 CG LYS A 17 -9.935 1.401 -3.295 1.00 44.21 C ATOM 302 CD LYS A 17 -10.812 1.258 -4.528 1.00 5.54 C ATOM 303 CE LYS A 17 -11.666 0.001 -4.461 1.00 51.21 C ATOM 304 NZ LYS A 17 -11.043 -1.132 -5.198 1.00 63.32 N ATOM 0 H LYS A 17 -7.208 1.198 -1.492 1.00 23.52 H new ATOM 0 HA LYS A 17 -9.339 -0.690 -1.873 1.00 1.32 H new ATOM 0 HB2 LYS A 17 -7.809 1.311 -3.510 1.00 3.20 H new ATOM 0 HB3 LYS A 17 -8.671 0.050 -4.368 1.00 3.20 H new ATOM 0 HG2 LYS A 17 -10.480 1.053 -2.417 1.00 44.21 H new ATOM 0 HG3 LYS A 17 -9.705 2.454 -3.131 1.00 44.21 H new ATOM 0 HD2 LYS A 17 -11.456 2.132 -4.621 1.00 5.54 H new ATOM 0 HD3 LYS A 17 -10.186 1.227 -5.420 1.00 5.54 H new ATOM 0 HE2 LYS A 17 -11.815 -0.282 -3.419 1.00 51.21 H new ATOM 0 HE3 LYS A 17 -12.651 0.208 -4.879 1.00 51.21 H new ATOM 0 HZ1 LYS A 17 -11.719 -1.920 -5.260 1.00 63.32 H new ATOM 0 HZ2 LYS A 17 -10.784 -0.822 -6.156 1.00 63.32 H new ATOM 0 HZ3 LYS A 17 -10.190 -1.447 -4.694 1.00 63.32 H new ATOM 318 N LEU A 18 -6.402 -1.331 -3.270 1.00 4.41 N ATOM 319 CA LEU A 18 -5.559 -2.408 -3.779 1.00 73.43 C ATOM 320 C LEU A 18 -5.369 -3.495 -2.725 1.00 52.23 C ATOM 321 O LEU A 18 -5.190 -4.666 -3.053 1.00 70.34 O ATOM 322 CB LEU A 18 -4.199 -1.857 -4.212 1.00 12.44 C ATOM 323 CG LEU A 18 -4.218 -0.850 -5.362 1.00 40.13 C ATOM 324 CD1 LEU A 18 -2.828 -0.277 -5.592 1.00 74.11 C ATOM 325 CD2 LEU A 18 -4.745 -1.502 -6.633 1.00 1.23 C ATOM 0 H LEU A 18 -5.982 -0.403 -3.330 1.00 4.41 H new ATOM 0 HA LEU A 18 -6.057 -2.849 -4.643 1.00 73.43 H new ATOM 0 HB2 LEU A 18 -3.730 -1.384 -3.349 1.00 12.44 H new ATOM 0 HB3 LEU A 18 -3.565 -2.695 -4.500 1.00 12.44 H new ATOM 0 HG LEU A 18 -4.886 -0.032 -5.093 1.00 40.13 H new ATOM 0 HD11 LEU A 18 -2.861 0.438 -6.414 1.00 74.11 H new ATOM 0 HD12 LEU A 18 -2.488 0.226 -4.687 1.00 74.11 H new ATOM 0 HD13 LEU A 18 -2.138 -1.084 -5.840 1.00 74.11 H new ATOM 0 HD21 LEU A 18 -4.752 -0.771 -7.441 1.00 1.23 H new ATOM 0 HD22 LEU A 18 -4.102 -2.339 -6.906 1.00 1.23 H new ATOM 0 HD23 LEU A 18 -5.759 -1.864 -6.463 1.00 1.23 H new ATOM 337 N ALA A 19 -5.411 -3.096 -1.458 1.00 75.44 N ATOM 338 CA ALA A 19 -5.248 -4.036 -0.356 1.00 74.32 C ATOM 339 C ALA A 19 -6.410 -5.023 -0.299 1.00 40.55 C ATOM 340 O ALA A 19 -6.256 -6.149 0.170 1.00 63.51 O ATOM 341 CB ALA A 19 -5.124 -3.288 0.962 1.00 12.32 C ATOM 0 H ALA A 19 -5.556 -2.129 -1.169 1.00 75.44 H new ATOM 0 HA ALA A 19 -4.333 -4.602 -0.527 1.00 74.32 H new ATOM 0 HB1 ALA A 19 -5.003 -4.003 1.776 1.00 12.32 H new ATOM 0 HB2 ALA A 19 -4.257 -2.629 0.926 1.00 12.32 H new ATOM 0 HB3 ALA A 19 -6.023 -2.696 1.130 1.00 12.32 H new ATOM 347 N GLU A 20 -7.571 -4.590 -0.780 1.00 70.35 N ATOM 348 CA GLU A 20 -8.759 -5.436 -0.782 1.00 22.04 C ATOM 349 C GLU A 20 -8.652 -6.523 -1.848 1.00 2.52 C ATOM 350 O GLU A 20 -8.878 -7.701 -1.573 1.00 31.14 O ATOM 351 CB GLU A 20 -10.013 -4.593 -1.023 1.00 21.21 C ATOM 352 CG GLU A 20 -10.072 -3.334 -0.175 1.00 3.03 C ATOM 353 CD GLU A 20 -11.439 -3.107 0.439 1.00 74.33 C ATOM 354 OE1 GLU A 20 -11.965 -4.042 1.078 1.00 30.45 O ATOM 355 OE2 GLU A 20 -11.985 -1.995 0.280 1.00 42.10 O ATOM 0 H GLU A 20 -7.714 -3.660 -1.173 1.00 70.35 H new ATOM 0 HA GLU A 20 -8.833 -5.915 0.195 1.00 22.04 H new ATOM 0 HB2 GLU A 20 -10.056 -4.314 -2.076 1.00 21.21 H new ATOM 0 HB3 GLU A 20 -10.894 -5.201 -0.818 1.00 21.21 H new ATOM 0 HG2 GLU A 20 -9.328 -3.400 0.619 1.00 3.03 H new ATOM 0 HG3 GLU A 20 -9.807 -2.474 -0.790 1.00 3.03 H new ATOM 363 N GLU A 21 -8.305 -6.117 -3.066 1.00 5.11 N ATOM 364 CA GLU A 21 -8.169 -7.056 -4.173 1.00 64.00 C ATOM 365 C GLU A 21 -6.910 -7.906 -4.015 1.00 55.44 C ATOM 366 O GLU A 21 -6.963 -9.132 -4.092 1.00 73.31 O ATOM 367 CB GLU A 21 -8.126 -6.305 -5.506 1.00 14.44 C ATOM 368 CG GLU A 21 -9.275 -5.328 -5.690 1.00 73.01 C ATOM 369 CD GLU A 21 -10.213 -5.736 -6.810 1.00 61.54 C ATOM 370 OE1 GLU A 21 -11.444 -5.657 -6.611 1.00 5.22 O ATOM 371 OE2 GLU A 21 -9.717 -6.135 -7.885 1.00 15.22 O ATOM 0 H GLU A 21 -8.113 -5.145 -3.310 1.00 5.11 H new ATOM 0 HA GLU A 21 -9.036 -7.716 -4.164 1.00 64.00 H new ATOM 0 HB2 GLU A 21 -7.183 -5.762 -5.578 1.00 14.44 H new ATOM 0 HB3 GLU A 21 -8.140 -7.028 -6.322 1.00 14.44 H new ATOM 0 HG2 GLU A 21 -9.837 -5.254 -4.759 1.00 73.01 H new ATOM 0 HG3 GLU A 21 -8.874 -4.336 -5.900 1.00 73.01 H new ATOM 379 N ALA A 22 -5.780 -7.242 -3.794 1.00 21.22 N ATOM 380 CA ALA A 22 -4.509 -7.934 -3.623 1.00 4.21 C ATOM 381 C ALA A 22 -4.601 -8.989 -2.526 1.00 64.31 C ATOM 382 O ALA A 22 -3.920 -10.014 -2.577 1.00 52.45 O ATOM 383 CB ALA A 22 -3.403 -6.938 -3.308 1.00 4.21 C ATOM 0 H ALA A 22 -5.719 -6.226 -3.729 1.00 21.22 H new ATOM 0 HA ALA A 22 -4.271 -8.440 -4.559 1.00 4.21 H new ATOM 0 HB1 ALA A 22 -2.460 -7.469 -3.183 1.00 4.21 H new ATOM 0 HB2 ALA A 22 -3.312 -6.225 -4.127 1.00 4.21 H new ATOM 0 HB3 ALA A 22 -3.644 -6.405 -2.388 1.00 4.21 H new ATOM 389 N ALA A 23 -5.448 -8.733 -1.535 1.00 13.44 N ATOM 390 CA ALA A 23 -5.630 -9.662 -0.425 1.00 52.45 C ATOM 391 C ALA A 23 -6.371 -10.916 -0.877 1.00 12.44 C ATOM 392 O ALA A 23 -5.896 -12.034 -0.681 1.00 1.15 O ATOM 393 CB ALA A 23 -6.378 -8.984 0.712 1.00 0.24 C ATOM 0 H ALA A 23 -6.019 -7.890 -1.477 1.00 13.44 H new ATOM 0 HA ALA A 23 -4.645 -9.963 -0.068 1.00 52.45 H new ATOM 0 HB1 ALA A 23 -6.507 -9.688 1.534 1.00 0.24 H new ATOM 0 HB2 ALA A 23 -5.809 -8.122 1.059 1.00 0.24 H new ATOM 0 HB3 ALA A 23 -7.355 -8.655 0.359 1.00 0.24 H new ATOM 399 N LYS A 24 -7.539 -10.722 -1.480 1.00 64.12 N ATOM 400 CA LYS A 24 -8.346 -11.838 -1.960 1.00 2.43 C ATOM 401 C LYS A 24 -7.617 -12.606 -3.058 1.00 50.44 C ATOM 402 O LYS A 24 -7.748 -13.824 -3.170 1.00 25.32 O ATOM 403 CB LYS A 24 -9.692 -11.331 -2.484 1.00 24.42 C ATOM 404 CG LYS A 24 -9.564 -10.253 -3.546 1.00 14.11 C ATOM 405 CD LYS A 24 -10.925 -9.782 -4.029 1.00 14.21 C ATOM 406 CE LYS A 24 -11.386 -10.564 -5.249 1.00 21.31 C ATOM 407 NZ LYS A 24 -11.370 -9.728 -6.482 1.00 75.31 N ATOM 0 H LYS A 24 -7.948 -9.803 -1.648 1.00 64.12 H new ATOM 0 HA LYS A 24 -8.519 -12.515 -1.123 1.00 2.43 H new ATOM 0 HB2 LYS A 24 -10.252 -12.171 -2.896 1.00 24.42 H new ATOM 0 HB3 LYS A 24 -10.273 -10.940 -1.649 1.00 24.42 H new ATOM 0 HG2 LYS A 24 -9.008 -9.407 -3.142 1.00 14.11 H new ATOM 0 HG3 LYS A 24 -8.991 -10.638 -4.389 1.00 14.11 H new ATOM 0 HD2 LYS A 24 -11.655 -9.893 -3.227 1.00 14.21 H new ATOM 0 HD3 LYS A 24 -10.878 -8.721 -4.272 1.00 14.21 H new ATOM 0 HE2 LYS A 24 -10.741 -11.431 -5.390 1.00 21.31 H new ATOM 0 HE3 LYS A 24 -12.394 -10.941 -5.079 1.00 21.31 H new ATOM 0 HZ1 LYS A 24 -11.691 -10.297 -7.291 1.00 75.31 H new ATOM 0 HZ2 LYS A 24 -12.005 -8.914 -6.358 1.00 75.31 H new ATOM 0 HZ3 LYS A 24 -10.403 -9.389 -6.659 1.00 75.31 H new ATOM 421 N LEU A 25 -6.848 -11.884 -3.866 1.00 50.13 N ATOM 422 CA LEU A 25 -6.095 -12.498 -4.955 1.00 53.03 C ATOM 423 C LEU A 25 -4.858 -13.214 -4.426 1.00 63.22 C ATOM 424 O LEU A 25 -4.505 -14.296 -4.898 1.00 4.03 O ATOM 425 CB LEU A 25 -5.686 -11.438 -5.979 1.00 54.04 C ATOM 426 CG LEU A 25 -6.523 -11.381 -7.259 1.00 1.44 C ATOM 427 CD1 LEU A 25 -5.997 -10.301 -8.191 1.00 73.44 C ATOM 428 CD2 LEU A 25 -6.526 -12.735 -7.954 1.00 2.54 C ATOM 0 H LEU A 25 -6.729 -10.874 -3.788 1.00 50.13 H new ATOM 0 HA LEU A 25 -6.738 -13.233 -5.439 1.00 53.03 H new ATOM 0 HB2 LEU A 25 -5.728 -10.461 -5.497 1.00 54.04 H new ATOM 0 HB3 LEU A 25 -4.646 -11.612 -6.256 1.00 54.04 H new ATOM 0 HG LEU A 25 -7.549 -11.131 -6.990 1.00 1.44 H new ATOM 0 HD11 LEU A 25 -6.604 -10.274 -9.096 1.00 73.44 H new ATOM 0 HD12 LEU A 25 -6.047 -9.333 -7.692 1.00 73.44 H new ATOM 0 HD13 LEU A 25 -4.962 -10.520 -8.454 1.00 73.44 H new ATOM 0 HD21 LEU A 25 -7.126 -12.676 -8.862 1.00 2.54 H new ATOM 0 HD22 LEU A 25 -5.504 -13.014 -8.211 1.00 2.54 H new ATOM 0 HD23 LEU A 25 -6.950 -13.485 -7.287 1.00 2.54 H new ATOM 440 N LEU A 26 -4.204 -12.607 -3.442 1.00 62.24 N ATOM 441 CA LEU A 26 -3.006 -13.189 -2.846 1.00 71.14 C ATOM 442 C LEU A 26 -3.248 -14.639 -2.444 1.00 0.15 C ATOM 443 O LEU A 26 -2.470 -15.528 -2.791 1.00 13.12 O ATOM 444 CB LEU A 26 -2.572 -12.373 -1.627 1.00 43.11 C ATOM 445 CG LEU A 26 -1.452 -11.359 -1.861 1.00 73.13 C ATOM 446 CD1 LEU A 26 -1.243 -10.501 -0.624 1.00 3.52 C ATOM 447 CD2 LEU A 26 -0.162 -12.069 -2.246 1.00 20.11 C ATOM 0 H LEU A 26 -4.483 -11.712 -3.040 1.00 62.24 H new ATOM 0 HA LEU A 26 -2.211 -13.167 -3.591 1.00 71.14 H new ATOM 0 HB2 LEU A 26 -3.442 -11.841 -1.243 1.00 43.11 H new ATOM 0 HB3 LEU A 26 -2.252 -13.064 -0.848 1.00 43.11 H new ATOM 0 HG LEU A 26 -1.743 -10.707 -2.685 1.00 73.13 H new ATOM 0 HD11 LEU A 26 -0.442 -9.785 -0.809 1.00 3.52 H new ATOM 0 HD12 LEU A 26 -2.163 -9.964 -0.394 1.00 3.52 H new ATOM 0 HD13 LEU A 26 -0.973 -11.137 0.219 1.00 3.52 H new ATOM 0 HD21 LEU A 26 0.624 -11.332 -2.409 1.00 20.11 H new ATOM 0 HD22 LEU A 26 0.135 -12.745 -1.444 1.00 20.11 H new ATOM 0 HD23 LEU A 26 -0.320 -12.639 -3.161 1.00 20.11 H new ATOM 459 N GLU A 27 -4.332 -14.871 -1.709 1.00 1.03 N ATOM 460 CA GLU A 27 -4.675 -16.215 -1.260 1.00 34.33 C ATOM 461 C GLU A 27 -5.580 -16.912 -2.272 1.00 60.43 C ATOM 462 O GLU A 27 -6.165 -17.956 -1.984 1.00 33.10 O ATOM 463 CB GLU A 27 -5.366 -16.160 0.104 1.00 11.14 C ATOM 464 CG GLU A 27 -4.657 -15.268 1.110 1.00 22.33 C ATOM 465 CD GLU A 27 -3.304 -15.816 1.522 1.00 71.51 C ATOM 466 OE1 GLU A 27 -2.292 -15.421 0.907 1.00 60.21 O ATOM 467 OE2 GLU A 27 -3.257 -16.641 2.459 1.00 34.41 O ATOM 0 H GLU A 27 -4.986 -14.147 -1.413 1.00 1.03 H new ATOM 0 HA GLU A 27 -3.751 -16.787 -1.169 1.00 34.33 H new ATOM 0 HB2 GLU A 27 -6.387 -15.803 -0.030 1.00 11.14 H new ATOM 0 HB3 GLU A 27 -5.432 -17.170 0.509 1.00 11.14 H new ATOM 0 HG2 GLU A 27 -4.527 -14.274 0.681 1.00 22.33 H new ATOM 0 HG3 GLU A 27 -5.284 -15.154 1.995 1.00 22.33 H new ATOM 475 N GLY A 28 -5.691 -16.326 -3.461 1.00 10.02 N ATOM 476 CA GLY A 28 -6.527 -16.903 -4.498 1.00 3.22 C ATOM 477 C GLY A 28 -6.094 -18.306 -4.876 1.00 70.11 C ATOM 478 O GLY A 28 -6.835 -19.034 -5.535 1.00 62.11 O ATOM 0 H GLY A 28 -5.217 -15.462 -3.724 1.00 10.02 H new ATOM 0 HA2 GLY A 28 -7.562 -16.925 -4.156 1.00 3.22 H new ATOM 0 HA3 GLY A 28 -6.497 -16.266 -5.382 1.00 3.22 H new ATOM 482 N GLY A 29 -4.890 -18.685 -4.460 1.00 53.34 N ATOM 483 CA GLY A 29 -4.380 -20.008 -4.772 1.00 1.15 C ATOM 484 C GLY A 29 -2.938 -19.979 -5.234 1.00 43.53 C ATOM 485 O GLY A 29 -2.581 -20.624 -6.220 1.00 74.43 O ATOM 0 H GLY A 29 -4.258 -18.100 -3.913 1.00 53.34 H new ATOM 0 HA2 GLY A 29 -4.463 -20.643 -3.890 1.00 1.15 H new ATOM 0 HA3 GLY A 29 -4.998 -20.458 -5.549 1.00 1.15 H new ATOM 489 N GLY A 30 -2.103 -19.227 -4.522 1.00 64.11 N ATOM 490 CA GLY A 30 -0.700 -19.129 -4.883 1.00 32.34 C ATOM 491 C GLY A 30 0.168 -20.093 -4.099 1.00 62.50 C ATOM 492 O GLY A 30 0.603 -21.117 -4.627 1.00 50.51 O ATOM 0 H GLY A 30 -2.373 -18.684 -3.702 1.00 64.11 H new ATOM 0 HA2 GLY A 30 -0.587 -19.328 -5.949 1.00 32.34 H new ATOM 0 HA3 GLY A 30 -0.354 -18.110 -4.710 1.00 32.34 H new ATOM 496 N GLY A 31 0.422 -19.767 -2.836 1.00 10.23 N ATOM 497 CA GLY A 31 1.245 -20.622 -2.000 1.00 54.23 C ATOM 498 C GLY A 31 1.480 -20.032 -0.623 1.00 31.12 C ATOM 499 O GLY A 31 1.931 -18.895 -0.496 1.00 0.34 O ATOM 0 H GLY A 31 0.073 -18.926 -2.376 1.00 10.23 H new ATOM 0 HA2 GLY A 31 0.766 -21.596 -1.898 1.00 54.23 H new ATOM 0 HA3 GLY A 31 2.205 -20.789 -2.489 1.00 54.23 H new ATOM 503 N GLY A 32 1.171 -20.809 0.412 1.00 42.31 N ATOM 504 CA GLY A 32 1.357 -20.339 1.773 1.00 41.23 C ATOM 505 C GLY A 32 1.212 -21.449 2.794 1.00 44.24 C ATOM 506 O GLY A 32 1.468 -22.614 2.495 1.00 23.41 O ATOM 0 H GLY A 32 0.796 -21.754 0.332 1.00 42.31 H new ATOM 0 HA2 GLY A 32 2.346 -19.890 1.867 1.00 41.23 H new ATOM 0 HA3 GLY A 32 0.629 -19.556 1.986 1.00 41.23 H new ATOM 510 N GLY A 33 0.802 -21.088 4.005 1.00 10.41 N ATOM 511 CA GLY A 33 0.633 -22.073 5.057 1.00 63.34 C ATOM 512 C GLY A 33 0.167 -21.456 6.361 1.00 30.52 C ATOM 513 O GLY A 33 -0.676 -22.022 7.057 1.00 55.44 O ATOM 0 H GLY A 33 0.583 -20.130 4.277 1.00 10.41 H new ATOM 0 HA2 GLY A 33 -0.089 -22.823 4.735 1.00 63.34 H new ATOM 0 HA3 GLY A 33 1.578 -22.590 5.221 1.00 63.34 H new ATOM 517 N GLY A 34 0.719 -20.294 6.695 1.00 73.14 N ATOM 518 CA GLY A 34 0.344 -19.620 7.924 1.00 75.40 C ATOM 519 C GLY A 34 -0.409 -18.328 7.670 1.00 12.23 C ATOM 520 O GLY A 34 -0.223 -17.685 6.638 1.00 3.44 O ATOM 0 H GLY A 34 1.420 -19.807 6.136 1.00 73.14 H new ATOM 0 HA2 GLY A 34 -0.275 -20.286 8.526 1.00 75.40 H new ATOM 0 HA3 GLY A 34 1.241 -19.406 8.506 1.00 75.40 H new ATOM 524 N GLY A 35 -1.263 -17.947 8.616 1.00 43.10 N ATOM 525 CA GLY A 35 -2.034 -16.726 8.470 1.00 23.13 C ATOM 526 C GLY A 35 -1.159 -15.490 8.424 1.00 44.51 C ATOM 527 O GLY A 35 -1.546 -14.469 7.858 1.00 54.44 O ATOM 0 H GLY A 35 -1.434 -18.462 9.480 1.00 43.10 H new ATOM 0 HA2 GLY A 35 -2.627 -16.782 7.557 1.00 23.13 H new ATOM 0 HA3 GLY A 35 -2.734 -16.641 9.301 1.00 23.13 H new ATOM 531 N GLU A 36 0.024 -15.581 9.024 1.00 41.23 N ATOM 532 CA GLU A 36 0.955 -14.459 9.050 1.00 23.42 C ATOM 533 C GLU A 36 1.204 -13.924 7.642 1.00 31.44 C ATOM 534 O GLU A 36 1.435 -12.730 7.452 1.00 72.44 O ATOM 535 CB GLU A 36 2.280 -14.883 9.688 1.00 15.33 C ATOM 536 CG GLU A 36 3.377 -13.839 9.560 1.00 23.15 C ATOM 537 CD GLU A 36 4.656 -14.247 10.267 1.00 40.10 C ATOM 538 OE1 GLU A 36 5.638 -14.579 9.570 1.00 12.05 O ATOM 539 OE2 GLU A 36 4.674 -14.235 11.516 1.00 71.02 O ATOM 0 H GLU A 36 0.360 -16.419 9.498 1.00 41.23 H new ATOM 0 HA GLU A 36 0.509 -13.664 9.648 1.00 23.42 H new ATOM 0 HB2 GLU A 36 2.114 -15.096 10.744 1.00 15.33 H new ATOM 0 HB3 GLU A 36 2.617 -15.811 9.225 1.00 15.33 H new ATOM 0 HG2 GLU A 36 3.589 -13.667 8.505 1.00 23.15 H new ATOM 0 HG3 GLU A 36 3.024 -12.894 9.972 1.00 23.15 H new ATOM 547 N LEU A 37 1.155 -14.817 6.660 1.00 22.44 N ATOM 548 CA LEU A 37 1.374 -14.437 5.269 1.00 41.31 C ATOM 549 C LEU A 37 0.451 -13.293 4.865 1.00 61.31 C ATOM 550 O LEU A 37 0.906 -12.254 4.388 1.00 72.32 O ATOM 551 CB LEU A 37 1.149 -15.639 4.349 1.00 3.41 C ATOM 552 CG LEU A 37 1.151 -15.345 2.848 1.00 0.34 C ATOM 553 CD1 LEU A 37 2.486 -14.755 2.422 1.00 24.11 C ATOM 554 CD2 LEU A 37 0.847 -16.609 2.058 1.00 3.23 C ATOM 0 H LEU A 37 0.966 -15.809 6.801 1.00 22.44 H new ATOM 0 HA LEU A 37 2.406 -14.099 5.169 1.00 41.31 H new ATOM 0 HB2 LEU A 37 1.923 -16.379 4.555 1.00 3.41 H new ATOM 0 HB3 LEU A 37 0.194 -16.096 4.608 1.00 3.41 H new ATOM 0 HG LEU A 37 0.371 -14.613 2.638 1.00 0.34 H new ATOM 0 HD11 LEU A 37 2.469 -14.552 1.351 1.00 24.11 H new ATOM 0 HD12 LEU A 37 2.663 -13.826 2.964 1.00 24.11 H new ATOM 0 HD13 LEU A 37 3.284 -15.463 2.645 1.00 24.11 H new ATOM 0 HD21 LEU A 37 0.852 -16.382 0.992 1.00 3.23 H new ATOM 0 HD22 LEU A 37 1.604 -17.363 2.272 1.00 3.23 H new ATOM 0 HD23 LEU A 37 -0.134 -16.989 2.343 1.00 3.23 H new ATOM 566 N MET A 38 -0.849 -13.491 5.060 1.00 1.21 N ATOM 567 CA MET A 38 -1.836 -12.474 4.719 1.00 31.22 C ATOM 568 C MET A 38 -1.756 -11.294 5.682 1.00 53.01 C ATOM 569 O MET A 38 -1.940 -10.142 5.285 1.00 30.22 O ATOM 570 CB MET A 38 -3.245 -13.072 4.743 1.00 45.24 C ATOM 571 CG MET A 38 -4.332 -12.079 4.366 1.00 33.01 C ATOM 572 SD MET A 38 -4.864 -12.248 2.652 1.00 1.33 S ATOM 573 CE MET A 38 -3.341 -11.874 1.786 1.00 22.24 C ATOM 0 H MET A 38 -1.243 -14.346 5.452 1.00 1.21 H new ATOM 0 HA MET A 38 -1.618 -12.115 3.713 1.00 31.22 H new ATOM 0 HB2 MET A 38 -3.284 -13.918 4.057 1.00 45.24 H new ATOM 0 HB3 MET A 38 -3.449 -13.461 5.741 1.00 45.24 H new ATOM 0 HG2 MET A 38 -5.190 -12.218 5.024 1.00 33.01 H new ATOM 0 HG3 MET A 38 -3.966 -11.066 4.530 1.00 33.01 H new ATOM 0 HE1 MET A 38 -3.569 -11.571 0.764 1.00 22.24 H new ATOM 0 HE2 MET A 38 -2.821 -11.064 2.297 1.00 22.24 H new ATOM 0 HE3 MET A 38 -2.705 -12.759 1.769 1.00 22.24 H new ATOM 583 N LYS A 39 -1.480 -11.587 6.948 1.00 75.11 N ATOM 584 CA LYS A 39 -1.375 -10.550 7.968 1.00 4.21 C ATOM 585 C LYS A 39 -0.374 -9.477 7.551 1.00 54.41 C ATOM 586 O LYS A 39 -0.486 -8.318 7.954 1.00 12.12 O ATOM 587 CB LYS A 39 -0.953 -11.163 9.305 1.00 14.42 C ATOM 588 CG LYS A 39 -0.884 -10.156 10.441 1.00 71.41 C ATOM 589 CD LYS A 39 -0.012 -10.659 11.579 1.00 33.24 C ATOM 590 CE LYS A 39 -0.137 -9.773 12.809 1.00 4.22 C ATOM 591 NZ LYS A 39 1.126 -9.741 13.599 1.00 14.31 N ATOM 0 H LYS A 39 -1.325 -12.534 7.293 1.00 75.11 H new ATOM 0 HA LYS A 39 -2.354 -10.085 8.081 1.00 4.21 H new ATOM 0 HB2 LYS A 39 -1.657 -11.952 9.572 1.00 14.42 H new ATOM 0 HB3 LYS A 39 0.023 -11.633 9.188 1.00 14.42 H new ATOM 0 HG2 LYS A 39 -0.488 -9.212 10.068 1.00 71.41 H new ATOM 0 HG3 LYS A 39 -1.889 -9.956 10.812 1.00 71.41 H new ATOM 0 HD2 LYS A 39 -0.297 -11.680 11.834 1.00 33.24 H new ATOM 0 HD3 LYS A 39 1.028 -10.690 11.256 1.00 33.24 H new ATOM 0 HE2 LYS A 39 -0.400 -8.761 12.502 1.00 4.22 H new ATOM 0 HE3 LYS A 39 -0.950 -10.137 13.438 1.00 4.22 H new ATOM 0 HZ1 LYS A 39 1.001 -9.127 14.429 1.00 14.31 H new ATOM 0 HZ2 LYS A 39 1.363 -10.704 13.913 1.00 14.31 H new ATOM 0 HZ3 LYS A 39 1.896 -9.370 13.007 1.00 14.31 H new ATOM 605 N LEU A 40 0.604 -9.868 6.741 1.00 14.02 N ATOM 606 CA LEU A 40 1.624 -8.940 6.268 1.00 54.54 C ATOM 607 C LEU A 40 1.032 -7.937 5.281 1.00 21.22 C ATOM 608 O LEU A 40 1.266 -6.733 5.390 1.00 60.23 O ATOM 609 CB LEU A 40 2.772 -9.704 5.609 1.00 62.55 C ATOM 610 CG LEU A 40 4.003 -9.952 6.482 1.00 33.33 C ATOM 611 CD1 LEU A 40 5.039 -10.765 5.724 1.00 45.41 C ATOM 612 CD2 LEU A 40 4.596 -8.633 6.954 1.00 60.02 C ATOM 0 H LEU A 40 0.712 -10.823 6.398 1.00 14.02 H new ATOM 0 HA LEU A 40 2.008 -8.392 7.129 1.00 54.54 H new ATOM 0 HB2 LEU A 40 2.393 -10.668 5.269 1.00 62.55 H new ATOM 0 HB3 LEU A 40 3.086 -9.154 4.722 1.00 62.55 H new ATOM 0 HG LEU A 40 3.695 -10.522 7.358 1.00 33.33 H new ATOM 0 HD11 LEU A 40 5.908 -10.932 6.361 1.00 45.41 H new ATOM 0 HD12 LEU A 40 4.610 -11.725 5.437 1.00 45.41 H new ATOM 0 HD13 LEU A 40 5.344 -10.222 4.829 1.00 45.41 H new ATOM 0 HD21 LEU A 40 5.471 -8.829 7.574 1.00 60.02 H new ATOM 0 HD22 LEU A 40 4.889 -8.036 6.090 1.00 60.02 H new ATOM 0 HD23 LEU A 40 3.853 -8.088 7.536 1.00 60.02 H new ATOM 624 N CYS A 41 0.264 -8.442 4.322 1.00 4.02 N ATOM 625 CA CYS A 41 -0.362 -7.592 3.316 1.00 15.31 C ATOM 626 C CYS A 41 -1.545 -6.832 3.908 1.00 70.21 C ATOM 627 O CYS A 41 -1.864 -5.725 3.474 1.00 65.45 O ATOM 628 CB CYS A 41 -0.824 -8.431 2.125 1.00 53.12 C ATOM 629 SG CYS A 41 -1.777 -7.507 0.896 1.00 12.03 S ATOM 0 H CYS A 41 0.060 -9.436 4.220 1.00 4.02 H new ATOM 0 HA CYS A 41 0.378 -6.868 2.975 1.00 15.31 H new ATOM 0 HB2 CYS A 41 0.050 -8.866 1.640 1.00 53.12 H new ATOM 0 HB3 CYS A 41 -1.430 -9.260 2.491 1.00 53.12 H new ATOM 0 HG CYS A 41 -1.248 -6.331 0.731 1.00 12.03 H new ATOM 635 N GLU A 42 -2.193 -7.435 4.900 1.00 1.41 N ATOM 636 CA GLU A 42 -3.341 -6.815 5.550 1.00 73.35 C ATOM 637 C GLU A 42 -2.967 -5.459 6.140 1.00 52.44 C ATOM 638 O GLU A 42 -3.818 -4.584 6.301 1.00 34.12 O ATOM 639 CB GLU A 42 -3.889 -7.728 6.648 1.00 52.21 C ATOM 640 CG GLU A 42 -4.802 -8.826 6.129 1.00 55.35 C ATOM 641 CD GLU A 42 -6.237 -8.364 5.967 1.00 13.32 C ATOM 642 OE1 GLU A 42 -6.810 -7.855 6.954 1.00 33.34 O ATOM 643 OE2 GLU A 42 -6.787 -8.510 4.856 1.00 72.23 O ATOM 0 H GLU A 42 -1.942 -8.352 5.271 1.00 1.41 H new ATOM 0 HA GLU A 42 -4.113 -6.662 4.796 1.00 73.35 H new ATOM 0 HB2 GLU A 42 -3.054 -8.183 7.180 1.00 52.21 H new ATOM 0 HB3 GLU A 42 -4.437 -7.124 7.371 1.00 52.21 H new ATOM 0 HG2 GLU A 42 -4.428 -9.181 5.169 1.00 55.35 H new ATOM 0 HG3 GLU A 42 -4.772 -9.673 6.815 1.00 55.35 H new ATOM 651 N GLU A 43 -1.688 -5.291 6.461 1.00 64.10 N ATOM 652 CA GLU A 43 -1.201 -4.042 7.035 1.00 21.40 C ATOM 653 C GLU A 43 -1.564 -2.857 6.144 1.00 30.33 C ATOM 654 O GLU A 43 -1.890 -1.776 6.634 1.00 1.22 O ATOM 655 CB GLU A 43 0.315 -4.102 7.231 1.00 21.13 C ATOM 656 CG GLU A 43 0.774 -5.284 8.069 1.00 55.20 C ATOM 657 CD GLU A 43 1.129 -4.887 9.490 1.00 72.43 C ATOM 658 OE1 GLU A 43 1.959 -5.585 10.110 1.00 61.32 O ATOM 659 OE2 GLU A 43 0.576 -3.882 9.982 1.00 52.35 O ATOM 0 H GLU A 43 -0.970 -6.004 6.333 1.00 64.10 H new ATOM 0 HA GLU A 43 -1.680 -3.906 8.005 1.00 21.40 H new ATOM 0 HB2 GLU A 43 0.797 -4.150 6.255 1.00 21.13 H new ATOM 0 HB3 GLU A 43 0.648 -3.179 7.706 1.00 21.13 H new ATOM 0 HG2 GLU A 43 -0.014 -6.037 8.092 1.00 55.20 H new ATOM 0 HG3 GLU A 43 1.641 -5.745 7.597 1.00 55.20 H new ATOM 667 N ALA A 44 -1.504 -3.069 4.834 1.00 22.53 N ATOM 668 CA ALA A 44 -1.827 -2.020 3.875 1.00 40.41 C ATOM 669 C ALA A 44 -3.184 -1.396 4.180 1.00 11.43 C ATOM 670 O ALA A 44 -3.348 -0.178 4.108 1.00 74.40 O ATOM 671 CB ALA A 44 -1.807 -2.575 2.458 1.00 1.52 C ATOM 0 H ALA A 44 -1.235 -3.958 4.412 1.00 22.53 H new ATOM 0 HA ALA A 44 -1.070 -1.240 3.959 1.00 40.41 H new ATOM 0 HB1 ALA A 44 -2.050 -1.780 1.753 1.00 1.52 H new ATOM 0 HB2 ALA A 44 -0.815 -2.967 2.235 1.00 1.52 H new ATOM 0 HB3 ALA A 44 -2.542 -3.375 2.370 1.00 1.52 H new ATOM 677 N ALA A 45 -4.154 -2.237 4.523 1.00 55.13 N ATOM 678 CA ALA A 45 -5.497 -1.767 4.841 1.00 51.32 C ATOM 679 C ALA A 45 -5.539 -1.120 6.221 1.00 50.42 C ATOM 680 O ALA A 45 -6.421 -0.312 6.512 1.00 2.34 O ATOM 681 CB ALA A 45 -6.490 -2.916 4.764 1.00 21.22 C ATOM 0 H ALA A 45 -4.035 -3.248 4.588 1.00 55.13 H new ATOM 0 HA ALA A 45 -5.775 -1.012 4.106 1.00 51.32 H new ATOM 0 HB1 ALA A 45 -7.489 -2.551 5.004 1.00 21.22 H new ATOM 0 HB2 ALA A 45 -6.488 -3.332 3.756 1.00 21.22 H new ATOM 0 HB3 ALA A 45 -6.206 -3.690 5.477 1.00 21.22 H new ATOM 687 N LYS A 46 -4.581 -1.481 7.068 1.00 73.40 N ATOM 688 CA LYS A 46 -4.508 -0.936 8.419 1.00 53.34 C ATOM 689 C LYS A 46 -3.990 0.499 8.398 1.00 10.51 C ATOM 690 O LYS A 46 -4.579 1.392 9.008 1.00 13.34 O ATOM 691 CB LYS A 46 -3.601 -1.804 9.293 1.00 33.41 C ATOM 692 CG LYS A 46 -4.321 -2.441 10.470 1.00 4.32 C ATOM 693 CD LYS A 46 -3.515 -3.584 11.063 1.00 20.24 C ATOM 694 CE LYS A 46 -3.685 -4.862 10.256 1.00 42.11 C ATOM 695 NZ LYS A 46 -4.111 -6.006 11.109 1.00 2.44 N ATOM 0 H LYS A 46 -3.844 -2.149 6.843 1.00 73.40 H new ATOM 0 HA LYS A 46 -5.514 -0.935 8.839 1.00 53.34 H new ATOM 0 HB2 LYS A 46 -3.161 -2.589 8.678 1.00 33.41 H new ATOM 0 HB3 LYS A 46 -2.779 -1.194 9.667 1.00 33.41 H new ATOM 0 HG2 LYS A 46 -4.505 -1.688 11.236 1.00 4.32 H new ATOM 0 HG3 LYS A 46 -5.294 -2.810 10.146 1.00 4.32 H new ATOM 0 HD2 LYS A 46 -2.461 -3.309 11.094 1.00 20.24 H new ATOM 0 HD3 LYS A 46 -3.830 -3.757 12.092 1.00 20.24 H new ATOM 0 HE2 LYS A 46 -4.424 -4.700 9.471 1.00 42.11 H new ATOM 0 HE3 LYS A 46 -2.744 -5.108 9.763 1.00 42.11 H new ATOM 0 HZ1 LYS A 46 -4.216 -6.857 10.521 1.00 2.44 H new ATOM 0 HZ2 LYS A 46 -3.394 -6.178 11.843 1.00 2.44 H new ATOM 0 HZ3 LYS A 46 -5.021 -5.783 11.560 1.00 2.44 H new ATOM 709 N LYS A 47 -2.884 0.714 7.693 1.00 1.01 N ATOM 710 CA LYS A 47 -2.287 2.040 7.591 1.00 4.04 C ATOM 711 C LYS A 47 -3.121 2.944 6.689 1.00 12.41 C ATOM 712 O LYS A 47 -3.449 4.072 7.057 1.00 2.41 O ATOM 713 CB LYS A 47 -0.860 1.939 7.049 1.00 44.22 C ATOM 714 CG LYS A 47 0.091 1.197 7.974 1.00 55.53 C ATOM 715 CD LYS A 47 0.270 1.931 9.293 1.00 41.32 C ATOM 716 CE LYS A 47 -0.606 1.335 10.385 1.00 72.41 C ATOM 717 NZ LYS A 47 -0.652 2.202 11.595 1.00 44.24 N ATOM 0 H LYS A 47 -2.383 -0.014 7.184 1.00 1.01 H new ATOM 0 HA LYS A 47 -2.260 2.477 8.589 1.00 4.04 H new ATOM 0 HB2 LYS A 47 -0.882 1.434 6.083 1.00 44.22 H new ATOM 0 HB3 LYS A 47 -0.474 2.944 6.875 1.00 44.22 H new ATOM 0 HG2 LYS A 47 -0.292 0.194 8.163 1.00 55.53 H new ATOM 0 HG3 LYS A 47 1.059 1.082 7.486 1.00 55.53 H new ATOM 0 HD2 LYS A 47 1.316 1.885 9.598 1.00 41.32 H new ATOM 0 HD3 LYS A 47 0.023 2.984 9.161 1.00 41.32 H new ATOM 0 HE2 LYS A 47 -1.617 1.192 10.002 1.00 72.41 H new ATOM 0 HE3 LYS A 47 -0.226 0.350 10.658 1.00 72.41 H new ATOM 0 HZ1 LYS A 47 -1.259 1.761 12.315 1.00 44.24 H new ATOM 0 HZ2 LYS A 47 0.309 2.318 11.976 1.00 44.24 H new ATOM 0 HZ3 LYS A 47 -1.038 3.133 11.340 1.00 44.24 H new ATOM 731 N ALA A 48 -3.463 2.441 5.508 1.00 24.20 N ATOM 732 CA ALA A 48 -4.262 3.202 4.556 1.00 72.34 C ATOM 733 C ALA A 48 -5.531 3.740 5.210 1.00 45.44 C ATOM 734 O ALA A 48 -6.044 4.788 4.818 1.00 45.41 O ATOM 735 CB ALA A 48 -4.612 2.340 3.352 1.00 70.43 C ATOM 0 H ALA A 48 -3.199 1.509 5.187 1.00 24.20 H new ATOM 0 HA ALA A 48 -3.669 4.052 4.220 1.00 72.34 H new ATOM 0 HB1 ALA A 48 -5.209 2.921 2.649 1.00 70.43 H new ATOM 0 HB2 ALA A 48 -3.696 2.009 2.863 1.00 70.43 H new ATOM 0 HB3 ALA A 48 -5.182 1.471 3.680 1.00 70.43 H new ATOM 741 N GLU A 49 -6.030 3.017 6.206 1.00 0.01 N ATOM 742 CA GLU A 49 -7.239 3.422 6.913 1.00 55.32 C ATOM 743 C GLU A 49 -6.953 4.588 7.855 1.00 54.23 C ATOM 744 O GLU A 49 -7.679 5.582 7.867 1.00 10.21 O ATOM 745 CB GLU A 49 -7.815 2.245 7.702 1.00 51.51 C ATOM 746 CG GLU A 49 -9.001 2.619 8.574 1.00 33.05 C ATOM 747 CD GLU A 49 -9.999 1.487 8.720 1.00 62.44 C ATOM 748 OE1 GLU A 49 -9.632 0.331 8.420 1.00 73.14 O ATOM 749 OE2 GLU A 49 -11.147 1.755 9.133 1.00 61.05 O ATOM 0 H GLU A 49 -5.616 2.147 6.542 1.00 0.01 H new ATOM 0 HA GLU A 49 -7.970 3.746 6.172 1.00 55.32 H new ATOM 0 HB2 GLU A 49 -8.120 1.465 7.004 1.00 51.51 H new ATOM 0 HB3 GLU A 49 -7.032 1.822 8.331 1.00 51.51 H new ATOM 0 HG2 GLU A 49 -8.643 2.912 9.561 1.00 33.05 H new ATOM 0 HG3 GLU A 49 -9.502 3.487 8.146 1.00 33.05 H new ATOM 757 N GLU A 50 -5.890 4.459 8.643 1.00 21.14 N ATOM 758 CA GLU A 50 -5.509 5.500 9.590 1.00 73.13 C ATOM 759 C GLU A 50 -5.312 6.836 8.878 1.00 12.42 C ATOM 760 O GLU A 50 -5.762 7.879 9.355 1.00 43.23 O ATOM 761 CB GLU A 50 -4.227 5.108 10.326 1.00 40.11 C ATOM 762 CG GLU A 50 -4.267 5.400 11.816 1.00 33.05 C ATOM 763 CD GLU A 50 -4.477 4.150 12.650 1.00 35.30 C ATOM 764 OE1 GLU A 50 -3.474 3.486 12.985 1.00 75.10 O ATOM 765 OE2 GLU A 50 -5.644 3.838 12.966 1.00 24.23 O ATOM 0 H GLU A 50 -5.277 3.643 8.644 1.00 21.14 H new ATOM 0 HA GLU A 50 -6.316 5.609 10.315 1.00 73.13 H new ATOM 0 HB2 GLU A 50 -4.044 4.044 10.178 1.00 40.11 H new ATOM 0 HB3 GLU A 50 -3.386 5.641 9.882 1.00 40.11 H new ATOM 0 HG2 GLU A 50 -3.334 5.879 12.114 1.00 33.05 H new ATOM 0 HG3 GLU A 50 -5.069 6.109 12.022 1.00 33.05 H new ATOM 773 N LEU A 51 -4.637 6.796 7.735 1.00 53.25 N ATOM 774 CA LEU A 51 -4.379 8.003 6.956 1.00 13.02 C ATOM 775 C LEU A 51 -5.650 8.487 6.266 1.00 52.43 C ATOM 776 O LEU A 51 -5.979 9.673 6.310 1.00 53.14 O ATOM 777 CB LEU A 51 -3.289 7.738 5.915 1.00 13.43 C ATOM 778 CG LEU A 51 -1.849 7.777 6.427 1.00 13.25 C ATOM 779 CD1 LEU A 51 -0.964 6.860 5.599 1.00 62.12 C ATOM 780 CD2 LEU A 51 -1.314 9.201 6.406 1.00 1.41 C ATOM 0 H LEU A 51 -4.258 5.942 7.327 1.00 53.25 H new ATOM 0 HA LEU A 51 -4.039 8.782 7.639 1.00 13.02 H new ATOM 0 HB2 LEU A 51 -3.469 6.759 5.471 1.00 13.43 H new ATOM 0 HB3 LEU A 51 -3.390 8.474 5.117 1.00 13.43 H new ATOM 0 HG LEU A 51 -1.840 7.423 7.458 1.00 13.25 H new ATOM 0 HD11 LEU A 51 0.057 6.901 5.978 1.00 62.12 H new ATOM 0 HD12 LEU A 51 -1.336 5.838 5.666 1.00 62.12 H new ATOM 0 HD13 LEU A 51 -0.978 7.183 4.558 1.00 62.12 H new ATOM 0 HD21 LEU A 51 -0.288 9.210 6.774 1.00 1.41 H new ATOM 0 HD22 LEU A 51 -1.337 9.583 5.386 1.00 1.41 H new ATOM 0 HD23 LEU A 51 -1.933 9.832 7.044 1.00 1.41 H new ATOM 792 N PHE A 52 -6.362 7.563 5.632 1.00 62.35 N ATOM 793 CA PHE A 52 -7.598 7.896 4.933 1.00 74.20 C ATOM 794 C PHE A 52 -8.592 8.568 5.876 1.00 51.21 C ATOM 795 O PHE A 52 -9.467 9.319 5.444 1.00 64.24 O ATOM 796 CB PHE A 52 -8.223 6.637 4.329 1.00 32.44 C ATOM 797 CG PHE A 52 -9.594 6.862 3.759 1.00 73.11 C ATOM 798 CD1 PHE A 52 -9.765 7.608 2.604 1.00 62.33 C ATOM 799 CD2 PHE A 52 -10.713 6.328 4.378 1.00 73.34 C ATOM 800 CE1 PHE A 52 -11.025 7.817 2.077 1.00 10.54 C ATOM 801 CE2 PHE A 52 -11.976 6.534 3.855 1.00 31.15 C ATOM 802 CZ PHE A 52 -12.132 7.279 2.703 1.00 12.02 C ATOM 0 H PHE A 52 -6.105 6.577 5.587 1.00 62.35 H new ATOM 0 HA PHE A 52 -7.356 8.593 4.131 1.00 74.20 H new ATOM 0 HB2 PHE A 52 -7.569 6.258 3.543 1.00 32.44 H new ATOM 0 HB3 PHE A 52 -8.280 5.865 5.097 1.00 32.44 H new ATOM 0 HD1 PHE A 52 -8.903 8.031 2.110 1.00 62.33 H new ATOM 0 HD2 PHE A 52 -10.597 5.744 5.279 1.00 73.34 H new ATOM 0 HE1 PHE A 52 -11.144 8.401 1.176 1.00 10.54 H new ATOM 0 HE2 PHE A 52 -12.840 6.113 4.347 1.00 31.15 H new ATOM 0 HZ PHE A 52 -13.118 7.441 2.292 1.00 12.02 H new ATOM 812 N LYS A 53 -8.451 8.293 7.168 1.00 11.23 N ATOM 813 CA LYS A 53 -9.334 8.871 8.175 1.00 43.53 C ATOM 814 C LYS A 53 -9.108 10.375 8.298 1.00 74.42 C ATOM 815 O LYS A 53 -10.061 11.157 8.301 1.00 4.23 O ATOM 816 CB LYS A 53 -9.104 8.198 9.531 1.00 71.20 C ATOM 817 CG LYS A 53 -9.784 8.912 10.686 1.00 2.21 C ATOM 818 CD LYS A 53 -8.852 9.912 11.349 1.00 1.01 C ATOM 819 CE LYS A 53 -8.621 9.573 12.814 1.00 34.12 C ATOM 820 NZ LYS A 53 -7.944 8.257 12.978 1.00 34.02 N ATOM 0 H LYS A 53 -7.733 7.673 7.543 1.00 11.23 H new ATOM 0 HA LYS A 53 -10.364 8.700 7.861 1.00 43.53 H new ATOM 0 HB2 LYS A 53 -9.468 7.172 9.484 1.00 71.20 H new ATOM 0 HB3 LYS A 53 -8.033 8.148 9.726 1.00 71.20 H new ATOM 0 HG2 LYS A 53 -10.674 9.427 10.323 1.00 2.21 H new ATOM 0 HG3 LYS A 53 -10.117 8.180 11.422 1.00 2.21 H new ATOM 0 HD2 LYS A 53 -7.898 9.926 10.823 1.00 1.01 H new ATOM 0 HD3 LYS A 53 -9.275 10.914 11.269 1.00 1.01 H new ATOM 0 HE2 LYS A 53 -8.016 10.353 13.276 1.00 34.12 H new ATOM 0 HE3 LYS A 53 -9.576 9.558 13.338 1.00 34.12 H new ATOM 0 HZ1 LYS A 53 -7.548 8.187 13.937 1.00 34.02 H new ATOM 0 HZ2 LYS A 53 -8.633 7.492 12.831 1.00 34.02 H new ATOM 0 HZ3 LYS A 53 -7.177 8.172 12.280 1.00 34.02 H new ATOM 834 N LEU A 54 -7.845 10.774 8.396 1.00 31.33 N ATOM 835 CA LEU A 54 -7.496 12.184 8.517 1.00 13.01 C ATOM 836 C LEU A 54 -7.688 12.909 7.190 1.00 63.53 C ATOM 837 O LEU A 54 -7.883 14.124 7.156 1.00 71.21 O ATOM 838 CB LEU A 54 -6.048 12.333 8.987 1.00 32.44 C ATOM 839 CG LEU A 54 -5.843 13.089 10.301 1.00 52.25 C ATOM 840 CD1 LEU A 54 -6.525 12.361 11.449 1.00 44.44 C ATOM 841 CD2 LEU A 54 -4.359 13.269 10.586 1.00 11.41 C ATOM 0 H LEU A 54 -7.046 10.140 8.394 1.00 31.33 H new ATOM 0 HA LEU A 54 -8.160 12.634 9.255 1.00 13.01 H new ATOM 0 HB2 LEU A 54 -5.617 11.337 9.093 1.00 32.44 H new ATOM 0 HB3 LEU A 54 -5.484 12.843 8.206 1.00 32.44 H new ATOM 0 HG LEU A 54 -6.296 14.076 10.205 1.00 52.25 H new ATOM 0 HD11 LEU A 54 -6.368 12.914 12.375 1.00 44.44 H new ATOM 0 HD12 LEU A 54 -7.594 12.285 11.248 1.00 44.44 H new ATOM 0 HD13 LEU A 54 -6.103 11.361 11.548 1.00 44.44 H new ATOM 0 HD21 LEU A 54 -4.232 13.809 11.524 1.00 11.41 H new ATOM 0 HD22 LEU A 54 -3.882 12.292 10.662 1.00 11.41 H new ATOM 0 HD23 LEU A 54 -3.899 13.836 9.776 1.00 11.41 H new ATOM 853 N ALA A 55 -7.634 12.155 6.097 1.00 63.54 N ATOM 854 CA ALA A 55 -7.807 12.724 4.766 1.00 60.10 C ATOM 855 C ALA A 55 -9.130 13.475 4.657 1.00 10.32 C ATOM 856 O ALA A 55 -9.275 14.377 3.833 1.00 24.41 O ATOM 857 CB ALA A 55 -7.731 11.631 3.710 1.00 63.13 C ATOM 0 H ALA A 55 -7.472 11.148 6.107 1.00 63.54 H new ATOM 0 HA ALA A 55 -7.000 13.436 4.595 1.00 60.10 H new ATOM 0 HB1 ALA A 55 -7.862 12.071 2.721 1.00 63.13 H new ATOM 0 HB2 ALA A 55 -6.759 11.141 3.763 1.00 63.13 H new ATOM 0 HB3 ALA A 55 -8.518 10.898 3.888 1.00 63.13 H new ATOM 863 N GLU A 56 -10.090 13.097 5.494 1.00 34.44 N ATOM 864 CA GLU A 56 -11.402 13.735 5.490 1.00 0.33 C ATOM 865 C GLU A 56 -11.350 15.087 6.195 1.00 71.01 C ATOM 866 O GLU A 56 -12.151 15.978 5.909 1.00 22.32 O ATOM 867 CB GLU A 56 -12.435 12.832 6.168 1.00 13.22 C ATOM 868 CG GLU A 56 -12.229 11.354 5.887 1.00 61.41 C ATOM 869 CD GLU A 56 -13.367 10.497 6.407 1.00 14.41 C ATOM 870 OE1 GLU A 56 -13.550 10.442 7.642 1.00 22.23 O ATOM 871 OE2 GLU A 56 -14.075 9.883 5.581 1.00 2.34 O ATOM 0 H GLU A 56 -9.985 12.353 6.183 1.00 34.44 H new ATOM 0 HA GLU A 56 -11.697 13.896 4.453 1.00 0.33 H new ATOM 0 HB2 GLU A 56 -12.398 12.997 7.245 1.00 13.22 H new ATOM 0 HB3 GLU A 56 -13.432 13.121 5.835 1.00 13.22 H new ATOM 0 HG2 GLU A 56 -12.127 11.203 4.812 1.00 61.41 H new ATOM 0 HG3 GLU A 56 -11.295 11.028 6.345 1.00 61.41 H new ATOM 879 N GLU A 57 -10.404 15.233 7.116 1.00 3.00 N ATOM 880 CA GLU A 57 -10.249 16.476 7.863 1.00 71.33 C ATOM 881 C GLU A 57 -9.834 17.617 6.938 1.00 30.35 C ATOM 882 O GLU A 57 -10.425 18.696 6.963 1.00 73.22 O ATOM 883 CB GLU A 57 -9.213 16.303 8.976 1.00 33.12 C ATOM 884 CG GLU A 57 -9.044 17.537 9.846 1.00 33.43 C ATOM 885 CD GLU A 57 -10.309 17.897 10.601 1.00 74.41 C ATOM 886 OE1 GLU A 57 -10.769 19.051 10.471 1.00 64.02 O ATOM 887 OE2 GLU A 57 -10.839 17.026 11.322 1.00 63.51 O ATOM 0 H GLU A 57 -9.733 14.506 7.363 1.00 3.00 H new ATOM 0 HA GLU A 57 -11.212 16.725 8.310 1.00 71.33 H new ATOM 0 HB2 GLU A 57 -9.505 15.462 9.605 1.00 33.12 H new ATOM 0 HB3 GLU A 57 -8.252 16.049 8.530 1.00 33.12 H new ATOM 0 HG2 GLU A 57 -8.236 17.367 10.558 1.00 33.43 H new ATOM 0 HG3 GLU A 57 -8.746 18.379 9.221 1.00 33.43 H new ATOM 895 N ARG A 58 -8.812 17.371 6.126 1.00 64.31 N ATOM 896 CA ARG A 58 -8.315 18.377 5.195 1.00 35.13 C ATOM 897 C ARG A 58 -9.212 18.468 3.964 1.00 12.14 C ATOM 898 O ARG A 58 -9.138 19.430 3.199 1.00 43.33 O ATOM 899 CB ARG A 58 -6.882 18.048 4.773 1.00 40.41 C ATOM 900 CG ARG A 58 -6.669 16.583 4.429 1.00 42.31 C ATOM 901 CD ARG A 58 -5.728 15.910 5.416 1.00 14.00 C ATOM 902 NE ARG A 58 -6.031 16.277 6.797 1.00 42.22 N ATOM 903 CZ ARG A 58 -5.349 15.824 7.843 1.00 14.12 C ATOM 904 NH1 ARG A 58 -4.332 14.993 7.668 1.00 60.35 N ATOM 905 NH2 ARG A 58 -5.685 16.205 9.069 1.00 21.24 N ATOM 0 H ARG A 58 -8.311 16.483 6.094 1.00 64.31 H new ATOM 0 HA ARG A 58 -8.324 19.342 5.702 1.00 35.13 H new ATOM 0 HB2 ARG A 58 -6.618 18.657 3.909 1.00 40.41 H new ATOM 0 HB3 ARG A 58 -6.202 18.326 5.579 1.00 40.41 H new ATOM 0 HG2 ARG A 58 -7.628 16.065 4.428 1.00 42.31 H new ATOM 0 HG3 ARG A 58 -6.261 16.500 3.422 1.00 42.31 H new ATOM 0 HD2 ARG A 58 -5.799 14.828 5.304 1.00 14.00 H new ATOM 0 HD3 ARG A 58 -4.700 16.188 5.184 1.00 14.00 H new ATOM 0 HE ARG A 58 -6.808 16.915 6.967 1.00 42.22 H new ATOM 0 HH11 ARG A 58 -4.070 14.699 6.727 1.00 60.35 H new ATOM 0 HH12 ARG A 58 -3.811 14.648 8.474 1.00 60.35 H new ATOM 0 HH21 ARG A 58 -6.467 16.845 9.208 1.00 21.24 H new ATOM 0 HH22 ARG A 58 -5.162 15.857 9.873 1.00 21.24 H new ATOM 919 N LEU A 59 -10.059 17.461 3.779 1.00 24.03 N ATOM 920 CA LEU A 59 -10.969 17.427 2.640 1.00 31.12 C ATOM 921 C LEU A 59 -12.316 18.045 3.002 1.00 22.30 C ATOM 922 O LEU A 59 -12.609 19.182 2.632 1.00 74.21 O ATOM 923 CB LEU A 59 -11.168 15.987 2.164 1.00 0.31 C ATOM 924 CG LEU A 59 -12.190 15.785 1.045 1.00 74.30 C ATOM 925 CD1 LEU A 59 -11.915 16.737 -0.107 1.00 73.43 C ATOM 926 CD2 LEU A 59 -12.175 14.342 0.563 1.00 22.30 C ATOM 0 H LEU A 59 -10.134 16.658 4.403 1.00 24.03 H new ATOM 0 HA LEU A 59 -10.526 18.012 1.834 1.00 31.12 H new ATOM 0 HB2 LEU A 59 -10.207 15.602 1.825 1.00 0.31 H new ATOM 0 HB3 LEU A 59 -11.470 15.382 3.019 1.00 0.31 H new ATOM 0 HG LEU A 59 -13.182 16.004 1.441 1.00 74.30 H new ATOM 0 HD11 LEU A 59 -12.652 16.579 -0.894 1.00 73.43 H new ATOM 0 HD12 LEU A 59 -11.978 17.766 0.248 1.00 73.43 H new ATOM 0 HD13 LEU A 59 -10.917 16.551 -0.503 1.00 73.43 H new ATOM 0 HD21 LEU A 59 -12.909 14.217 -0.233 1.00 22.30 H new ATOM 0 HD22 LEU A 59 -11.183 14.095 0.185 1.00 22.30 H new ATOM 0 HD23 LEU A 59 -12.423 13.679 1.392 1.00 22.30 H new ATOM 938 N LYS A 60 -13.132 17.289 3.730 1.00 12.21 N ATOM 939 CA LYS A 60 -14.447 17.763 4.146 1.00 61.23 C ATOM 940 C LYS A 60 -14.433 18.193 5.609 1.00 21.11 C ATOM 941 O LYS A 60 -13.385 18.201 6.255 1.00 44.52 O ATOM 942 CB LYS A 60 -15.496 16.669 3.934 1.00 11.02 C ATOM 943 CG LYS A 60 -15.084 15.317 4.489 1.00 70.50 C ATOM 944 CD LYS A 60 -14.875 14.300 3.379 1.00 31.52 C ATOM 945 CE LYS A 60 -16.043 13.329 3.285 1.00 44.54 C ATOM 946 NZ LYS A 60 -16.015 12.549 2.018 1.00 40.14 N ATOM 0 H LYS A 60 -12.905 16.345 4.044 1.00 12.21 H new ATOM 0 HA LYS A 60 -14.704 18.628 3.535 1.00 61.23 H new ATOM 0 HB2 LYS A 60 -16.430 16.976 4.405 1.00 11.02 H new ATOM 0 HB3 LYS A 60 -15.695 16.569 2.867 1.00 11.02 H new ATOM 0 HG2 LYS A 60 -14.164 15.424 5.064 1.00 70.50 H new ATOM 0 HG3 LYS A 60 -15.850 14.956 5.176 1.00 70.50 H new ATOM 0 HD2 LYS A 60 -14.754 14.818 2.428 1.00 31.52 H new ATOM 0 HD3 LYS A 60 -13.954 13.746 3.560 1.00 31.52 H new ATOM 0 HE2 LYS A 60 -16.016 12.645 4.133 1.00 44.54 H new ATOM 0 HE3 LYS A 60 -16.980 13.881 3.351 1.00 44.54 H new ATOM 0 HZ1 LYS A 60 -16.827 11.899 1.992 1.00 40.14 H new ATOM 0 HZ2 LYS A 60 -16.067 13.200 1.208 1.00 40.14 H new ATOM 0 HZ3 LYS A 60 -15.132 12.002 1.967 1.00 40.14 H new ATOM 960 N LYS A 61 -15.603 18.549 6.128 1.00 73.21 N ATOM 961 CA LYS A 61 -15.727 18.977 7.516 1.00 1.44 C ATOM 962 C LYS A 61 -16.642 18.039 8.296 1.00 23.10 C ATOM 963 O LYS A 61 -17.856 18.242 8.349 1.00 42.23 O ATOM 964 CB LYS A 61 -16.267 20.408 7.584 1.00 71.32 C ATOM 965 CG LYS A 61 -15.974 21.107 8.900 1.00 73.31 C ATOM 966 CD LYS A 61 -16.929 22.264 9.140 1.00 2.43 C ATOM 967 CE LYS A 61 -16.318 23.308 10.062 1.00 3.23 C ATOM 968 NZ LYS A 61 -17.009 24.622 9.948 1.00 42.34 N ATOM 0 H LYS A 61 -16.480 18.550 5.607 1.00 73.21 H new ATOM 0 HA LYS A 61 -14.736 18.947 7.969 1.00 1.44 H new ATOM 0 HB2 LYS A 61 -15.835 20.989 6.769 1.00 71.32 H new ATOM 0 HB3 LYS A 61 -17.345 20.388 7.425 1.00 71.32 H new ATOM 0 HG2 LYS A 61 -16.054 20.392 9.719 1.00 73.31 H new ATOM 0 HG3 LYS A 61 -14.948 21.475 8.897 1.00 73.31 H new ATOM 0 HD2 LYS A 61 -17.190 22.726 8.188 1.00 2.43 H new ATOM 0 HD3 LYS A 61 -17.855 21.889 9.576 1.00 2.43 H new ATOM 0 HE2 LYS A 61 -16.372 22.958 11.093 1.00 3.23 H new ATOM 0 HE3 LYS A 61 -15.262 23.431 9.822 1.00 3.23 H new ATOM 0 HZ1 LYS A 61 -16.563 25.306 10.592 1.00 42.34 H new ATOM 0 HZ2 LYS A 61 -16.936 24.969 8.970 1.00 42.34 H new ATOM 0 HZ3 LYS A 61 -18.011 24.510 10.202 1.00 42.34 H new ATOM 982 N LEU A 62 -16.054 17.012 8.900 1.00 40.41 N ATOM 983 CA LEU A 62 -16.817 16.043 9.678 1.00 11.55 C ATOM 984 C LEU A 62 -17.474 16.709 10.883 1.00 73.00 C ATOM 985 O LEU A 62 -16.869 17.593 11.488 1.00 71.32 O ATOM 986 CB LEU A 62 -15.908 14.905 10.145 1.00 43.22 C ATOM 987 CG LEU A 62 -15.198 14.119 9.042 1.00 42.45 C ATOM 988 CD1 LEU A 62 -13.767 13.801 9.449 1.00 12.11 C ATOM 989 CD2 LEU A 62 -15.960 12.841 8.722 1.00 11.54 C ATOM 0 H LEU A 62 -15.051 16.829 8.866 1.00 40.41 H new ATOM 0 HA LEU A 62 -17.600 15.636 9.038 1.00 11.55 H new ATOM 0 HB2 LEU A 62 -15.152 15.320 10.812 1.00 43.22 H new ATOM 0 HB3 LEU A 62 -16.505 14.208 10.734 1.00 43.22 H new ATOM 0 HG LEU A 62 -15.170 14.736 8.144 1.00 42.45 H new ATOM 0 HD11 LEU A 62 -13.278 13.241 8.652 1.00 12.11 H new ATOM 0 HD12 LEU A 62 -13.224 14.729 9.626 1.00 12.11 H new ATOM 0 HD13 LEU A 62 -13.772 13.204 10.361 1.00 12.11 H new ATOM 0 HD21 LEU A 62 -15.440 12.295 7.935 1.00 11.54 H new ATOM 0 HD22 LEU A 62 -16.020 12.220 9.616 1.00 11.54 H new ATOM 0 HD23 LEU A 62 -16.966 13.092 8.386 1.00 11.54 H new ATOM 1002 N MET B 1 12.922 -18.293 -11.455 1.00 51.30 N ATOM 1003 CA MET B 1 12.568 -17.909 -12.817 1.00 15.32 C ATOM 1004 C MET B 1 11.194 -18.453 -13.195 1.00 51.21 C ATOM 1005 O MET B 1 11.063 -19.607 -13.602 1.00 20.55 O ATOM 1006 CB MET B 1 13.621 -18.418 -13.802 1.00 55.33 C ATOM 1007 CG MET B 1 13.757 -17.554 -15.046 1.00 53.25 C ATOM 1008 SD MET B 1 15.252 -16.546 -15.031 1.00 53.41 S ATOM 1009 CE MET B 1 14.584 -14.942 -15.466 1.00 34.45 C ATOM 0 H1 MET B 1 13.861 -17.912 -11.220 1.00 51.30 H new ATOM 0 H2 MET B 1 12.217 -17.911 -10.792 1.00 51.30 H new ATOM 0 H3 MET B 1 12.941 -19.330 -11.381 1.00 51.30 H new ATOM 0 HA MET B 1 12.533 -16.821 -12.865 1.00 15.32 H new ATOM 0 HB2 MET B 1 14.586 -18.468 -13.297 1.00 55.33 H new ATOM 0 HB3 MET B 1 13.365 -19.434 -14.102 1.00 55.33 H new ATOM 0 HG2 MET B 1 13.763 -18.193 -15.929 1.00 53.25 H new ATOM 0 HG3 MET B 1 12.886 -16.904 -15.129 1.00 53.25 H new ATOM 0 HE1 MET B 1 15.390 -14.209 -15.498 1.00 34.45 H new ATOM 0 HE2 MET B 1 14.107 -15.000 -16.445 1.00 34.45 H new ATOM 0 HE3 MET B 1 13.848 -14.640 -14.721 1.00 34.45 H new ATOM 1019 N LYS B 2 10.173 -17.615 -13.059 1.00 14.52 N ATOM 1020 CA LYS B 2 8.809 -18.010 -13.387 1.00 73.51 C ATOM 1021 C LYS B 2 7.958 -16.793 -13.739 1.00 10.22 C ATOM 1022 O LYS B 2 8.441 -15.660 -13.723 1.00 32.32 O ATOM 1023 CB LYS B 2 8.177 -18.764 -12.214 1.00 44.41 C ATOM 1024 CG LYS B 2 8.173 -20.272 -12.393 1.00 72.22 C ATOM 1025 CD LYS B 2 7.246 -20.698 -13.519 1.00 54.33 C ATOM 1026 CE LYS B 2 7.881 -21.774 -14.387 1.00 53.24 C ATOM 1027 NZ LYS B 2 8.424 -21.214 -15.656 1.00 70.11 N ATOM 0 H LYS B 2 10.264 -16.656 -12.723 1.00 14.52 H new ATOM 0 HA LYS B 2 8.848 -18.668 -14.255 1.00 73.51 H new ATOM 0 HB2 LYS B 2 8.717 -18.516 -11.300 1.00 44.41 H new ATOM 0 HB3 LYS B 2 7.151 -18.419 -12.081 1.00 44.41 H new ATOM 0 HG2 LYS B 2 9.185 -20.617 -12.604 1.00 72.22 H new ATOM 0 HG3 LYS B 2 7.861 -20.749 -11.464 1.00 72.22 H new ATOM 0 HD2 LYS B 2 6.311 -21.071 -13.101 1.00 54.33 H new ATOM 0 HD3 LYS B 2 6.997 -19.833 -14.134 1.00 54.33 H new ATOM 0 HE2 LYS B 2 8.683 -22.261 -13.833 1.00 53.24 H new ATOM 0 HE3 LYS B 2 7.140 -22.540 -14.616 1.00 53.24 H new ATOM 0 HZ1 LYS B 2 8.848 -21.978 -16.219 1.00 70.11 H new ATOM 0 HZ2 LYS B 2 7.654 -20.771 -16.197 1.00 70.11 H new ATOM 0 HZ3 LYS B 2 9.149 -20.501 -15.439 1.00 70.11 H new ATOM 1041 N LYS B 3 6.691 -17.034 -14.055 1.00 62.44 N ATOM 1042 CA LYS B 3 5.772 -15.959 -14.408 1.00 11.43 C ATOM 1043 C LYS B 3 4.500 -16.032 -13.569 1.00 11.11 C ATOM 1044 O LYS B 3 4.058 -15.030 -13.004 1.00 62.22 O ATOM 1045 CB LYS B 3 5.419 -16.029 -15.896 1.00 13.13 C ATOM 1046 CG LYS B 3 6.566 -15.638 -16.812 1.00 73.21 C ATOM 1047 CD LYS B 3 7.081 -16.830 -17.600 1.00 75.33 C ATOM 1048 CE LYS B 3 6.464 -16.888 -18.989 1.00 32.45 C ATOM 1049 NZ LYS B 3 7.319 -16.214 -20.004 1.00 62.33 N ATOM 0 H LYS B 3 6.276 -17.966 -14.074 1.00 62.44 H new ATOM 0 HA LYS B 3 6.267 -15.010 -14.203 1.00 11.43 H new ATOM 0 HB2 LYS B 3 5.101 -17.043 -16.138 1.00 13.13 H new ATOM 0 HB3 LYS B 3 4.570 -15.374 -16.091 1.00 13.13 H new ATOM 0 HG2 LYS B 3 6.234 -14.861 -17.501 1.00 73.21 H new ATOM 0 HG3 LYS B 3 7.377 -15.214 -16.220 1.00 73.21 H new ATOM 0 HD2 LYS B 3 8.166 -16.770 -17.685 1.00 75.33 H new ATOM 0 HD3 LYS B 3 6.854 -17.750 -17.061 1.00 75.33 H new ATOM 0 HE2 LYS B 3 6.312 -17.929 -19.276 1.00 32.45 H new ATOM 0 HE3 LYS B 3 5.482 -16.416 -18.970 1.00 32.45 H new ATOM 0 HZ1 LYS B 3 6.864 -16.275 -20.937 1.00 62.33 H new ATOM 0 HZ2 LYS B 3 7.444 -15.215 -19.744 1.00 62.33 H new ATOM 0 HZ3 LYS B 3 8.248 -16.681 -20.041 1.00 62.33 H new ATOM 1063 N LEU B 4 3.917 -17.222 -13.490 1.00 24.44 N ATOM 1064 CA LEU B 4 2.696 -17.427 -12.718 1.00 44.20 C ATOM 1065 C LEU B 4 2.857 -16.899 -11.296 1.00 34.14 C ATOM 1066 O LEU B 4 2.214 -15.922 -10.910 1.00 32.43 O ATOM 1067 CB LEU B 4 2.333 -18.913 -12.685 1.00 51.50 C ATOM 1068 CG LEU B 4 1.445 -19.413 -13.825 1.00 40.44 C ATOM 1069 CD1 LEU B 4 0.061 -18.790 -13.736 1.00 15.41 C ATOM 1070 CD2 LEU B 4 2.084 -19.106 -15.172 1.00 11.00 C ATOM 0 H LEU B 4 4.270 -18.061 -13.951 1.00 24.44 H new ATOM 0 HA LEU B 4 1.891 -16.874 -13.203 1.00 44.20 H new ATOM 0 HB2 LEU B 4 3.256 -19.492 -12.690 1.00 51.50 H new ATOM 0 HB3 LEU B 4 1.830 -19.123 -11.741 1.00 51.50 H new ATOM 0 HG LEU B 4 1.341 -20.494 -13.732 1.00 40.44 H new ATOM 0 HD11 LEU B 4 -0.557 -19.158 -14.555 1.00 15.41 H new ATOM 0 HD12 LEU B 4 -0.399 -19.060 -12.785 1.00 15.41 H new ATOM 0 HD13 LEU B 4 0.145 -17.705 -13.803 1.00 15.41 H new ATOM 0 HD21 LEU B 4 1.439 -19.469 -15.972 1.00 11.00 H new ATOM 0 HD22 LEU B 4 2.218 -18.029 -15.274 1.00 11.00 H new ATOM 0 HD23 LEU B 4 3.054 -19.600 -15.236 1.00 11.00 H new ATOM 1082 N ARG B 5 3.718 -17.551 -10.522 1.00 53.40 N ATOM 1083 CA ARG B 5 3.964 -17.146 -9.143 1.00 11.10 C ATOM 1084 C ARG B 5 4.661 -15.790 -9.091 1.00 32.21 C ATOM 1085 O ARG B 5 4.397 -14.981 -8.202 1.00 55.32 O ATOM 1086 CB ARG B 5 4.813 -18.196 -8.425 1.00 25.32 C ATOM 1087 CG ARG B 5 6.134 -18.489 -9.117 1.00 41.21 C ATOM 1088 CD ARG B 5 6.574 -19.927 -8.895 1.00 22.54 C ATOM 1089 NE ARG B 5 5.976 -20.839 -9.865 1.00 73.04 N ATOM 1090 CZ ARG B 5 6.218 -22.145 -9.894 1.00 44.24 C ATOM 1091 NH1 ARG B 5 7.043 -22.689 -9.011 1.00 2.43 N ATOM 1092 NH2 ARG B 5 5.636 -22.909 -10.810 1.00 2.12 N ATOM 0 H ARG B 5 4.257 -18.362 -10.826 1.00 53.40 H new ATOM 0 HA ARG B 5 3.002 -17.060 -8.638 1.00 11.10 H new ATOM 0 HB2 ARG B 5 5.013 -17.856 -7.409 1.00 25.32 H new ATOM 0 HB3 ARG B 5 4.241 -19.121 -8.346 1.00 25.32 H new ATOM 0 HG2 ARG B 5 6.036 -18.299 -10.186 1.00 41.21 H new ATOM 0 HG3 ARG B 5 6.901 -17.811 -8.742 1.00 41.21 H new ATOM 0 HD2 ARG B 5 7.660 -19.988 -8.962 1.00 22.54 H new ATOM 0 HD3 ARG B 5 6.299 -20.239 -7.887 1.00 22.54 H new ATOM 0 HE ARG B 5 5.337 -20.452 -10.559 1.00 73.04 H new ATOM 0 HH11 ARG B 5 7.494 -22.105 -8.307 1.00 2.43 H new ATOM 0 HH12 ARG B 5 7.227 -23.692 -9.035 1.00 2.43 H new ATOM 0 HH21 ARG B 5 5.002 -22.494 -11.493 1.00 2.12 H new ATOM 0 HH22 ARG B 5 5.823 -23.912 -10.831 1.00 2.12 H new ATOM 1106 N GLU B 6 5.552 -15.550 -10.047 1.00 25.52 N ATOM 1107 CA GLU B 6 6.288 -14.293 -10.108 1.00 1.11 C ATOM 1108 C GLU B 6 5.332 -13.103 -10.103 1.00 2.15 C ATOM 1109 O GLU B 6 5.677 -12.019 -9.631 1.00 23.54 O ATOM 1110 CB GLU B 6 7.166 -14.250 -11.360 1.00 22.01 C ATOM 1111 CG GLU B 6 8.268 -13.205 -11.295 1.00 64.55 C ATOM 1112 CD GLU B 6 8.000 -12.017 -12.199 1.00 13.15 C ATOM 1113 OE1 GLU B 6 8.973 -11.348 -12.602 1.00 62.55 O ATOM 1114 OE2 GLU B 6 6.816 -11.756 -12.499 1.00 52.24 O ATOM 0 H GLU B 6 5.782 -16.210 -10.790 1.00 25.52 H new ATOM 0 HA GLU B 6 6.924 -14.231 -9.225 1.00 1.11 H new ATOM 0 HB2 GLU B 6 7.616 -15.231 -11.512 1.00 22.01 H new ATOM 0 HB3 GLU B 6 6.537 -14.050 -12.228 1.00 22.01 H new ATOM 0 HG2 GLU B 6 8.374 -12.858 -10.267 1.00 64.55 H new ATOM 0 HG3 GLU B 6 9.216 -13.664 -11.576 1.00 64.55 H new ATOM 1122 N GLU B 7 4.131 -13.314 -10.629 1.00 62.25 N ATOM 1123 CA GLU B 7 3.126 -12.259 -10.687 1.00 44.31 C ATOM 1124 C GLU B 7 2.830 -11.714 -9.293 1.00 53.03 C ATOM 1125 O GLU B 7 2.953 -10.514 -9.045 1.00 44.10 O ATOM 1126 CB GLU B 7 1.838 -12.784 -11.326 1.00 43.31 C ATOM 1127 CG GLU B 7 1.959 -13.038 -12.820 1.00 14.45 C ATOM 1128 CD GLU B 7 0.903 -12.304 -13.623 1.00 32.24 C ATOM 1129 OE1 GLU B 7 -0.297 -12.493 -13.335 1.00 34.23 O ATOM 1130 OE2 GLU B 7 1.276 -11.541 -14.538 1.00 62.22 O ATOM 0 H GLU B 7 3.829 -14.206 -11.021 1.00 62.25 H new ATOM 0 HA GLU B 7 3.522 -11.449 -11.299 1.00 44.31 H new ATOM 0 HB2 GLU B 7 1.548 -13.711 -10.831 1.00 43.31 H new ATOM 0 HB3 GLU B 7 1.037 -12.066 -11.152 1.00 43.31 H new ATOM 0 HG2 GLU B 7 2.948 -12.729 -13.159 1.00 14.45 H new ATOM 0 HG3 GLU B 7 1.877 -14.108 -13.011 1.00 14.45 H new ATOM 1138 N ALA B 8 2.437 -12.604 -8.387 1.00 10.42 N ATOM 1139 CA ALA B 8 2.125 -12.213 -7.018 1.00 41.11 C ATOM 1140 C ALA B 8 3.284 -11.450 -6.387 1.00 11.51 C ATOM 1141 O ALA B 8 3.085 -10.631 -5.489 1.00 61.24 O ATOM 1142 CB ALA B 8 1.781 -13.438 -6.185 1.00 24.41 C ATOM 0 H ALA B 8 2.327 -13.600 -8.577 1.00 10.42 H new ATOM 0 HA ALA B 8 1.260 -11.550 -7.044 1.00 41.11 H new ATOM 0 HB1 ALA B 8 1.550 -13.131 -5.165 1.00 24.41 H new ATOM 0 HB2 ALA B 8 0.916 -13.941 -6.617 1.00 24.41 H new ATOM 0 HB3 ALA B 8 2.630 -14.121 -6.175 1.00 24.41 H new ATOM 1148 N ALA B 9 4.495 -11.724 -6.861 1.00 13.14 N ATOM 1149 CA ALA B 9 5.686 -11.062 -6.343 1.00 41.43 C ATOM 1150 C ALA B 9 5.764 -9.617 -6.824 1.00 11.15 C ATOM 1151 O ALA B 9 6.115 -8.716 -6.062 1.00 10.31 O ATOM 1152 CB ALA B 9 6.936 -11.825 -6.756 1.00 20.42 C ATOM 0 H ALA B 9 4.677 -12.400 -7.603 1.00 13.14 H new ATOM 0 HA ALA B 9 5.622 -11.053 -5.255 1.00 41.43 H new ATOM 0 HB1 ALA B 9 7.818 -11.319 -6.362 1.00 20.42 H new ATOM 0 HB2 ALA B 9 6.891 -12.839 -6.358 1.00 20.42 H new ATOM 0 HB3 ALA B 9 6.996 -11.864 -7.844 1.00 20.42 H new ATOM 1158 N LYS B 10 5.434 -9.402 -8.092 1.00 44.14 N ATOM 1159 CA LYS B 10 5.466 -8.066 -8.676 1.00 14.41 C ATOM 1160 C LYS B 10 4.476 -7.142 -7.974 1.00 33.34 C ATOM 1161 O LYS B 10 4.721 -5.943 -7.834 1.00 41.04 O ATOM 1162 CB LYS B 10 5.145 -8.132 -10.171 1.00 5.24 C ATOM 1163 CG LYS B 10 5.899 -9.228 -10.906 1.00 51.42 C ATOM 1164 CD LYS B 10 6.378 -8.756 -12.269 1.00 23.12 C ATOM 1165 CE LYS B 10 7.881 -8.526 -12.283 1.00 1.43 C ATOM 1166 NZ LYS B 10 8.232 -7.126 -11.917 1.00 3.12 N ATOM 0 H LYS B 10 5.141 -10.136 -8.736 1.00 44.14 H new ATOM 0 HA LYS B 10 6.470 -7.663 -8.544 1.00 14.41 H new ATOM 0 HB2 LYS B 10 4.074 -8.291 -10.298 1.00 5.24 H new ATOM 0 HB3 LYS B 10 5.381 -7.171 -10.628 1.00 5.24 H new ATOM 0 HG2 LYS B 10 6.754 -9.547 -10.309 1.00 51.42 H new ATOM 0 HG3 LYS B 10 5.253 -10.097 -11.027 1.00 51.42 H new ATOM 0 HD2 LYS B 10 6.115 -9.496 -13.025 1.00 23.12 H new ATOM 0 HD3 LYS B 10 5.865 -7.832 -12.536 1.00 23.12 H new ATOM 0 HE2 LYS B 10 8.360 -9.214 -11.587 1.00 1.43 H new ATOM 0 HE3 LYS B 10 8.274 -8.751 -13.275 1.00 1.43 H new ATOM 0 HZ1 LYS B 10 9.045 -6.812 -12.485 1.00 3.12 H new ATOM 0 HZ2 LYS B 10 7.419 -6.504 -12.102 1.00 3.12 H new ATOM 0 HZ3 LYS B 10 8.478 -7.082 -10.907 1.00 3.12 H new ATOM 1180 N LEU B 11 3.358 -7.707 -7.532 1.00 20.51 N ATOM 1181 CA LEU B 11 2.330 -6.934 -6.843 1.00 45.10 C ATOM 1182 C LEU B 11 2.932 -6.134 -5.692 1.00 73.21 C ATOM 1183 O LEU B 11 2.608 -4.961 -5.502 1.00 2.20 O ATOM 1184 CB LEU B 11 1.234 -7.861 -6.315 1.00 72.14 C ATOM 1185 CG LEU B 11 0.521 -8.719 -7.361 1.00 33.51 C ATOM 1186 CD1 LEU B 11 -0.619 -9.499 -6.724 1.00 33.34 C ATOM 1187 CD2 LEU B 11 0.005 -7.852 -8.500 1.00 33.31 C ATOM 0 H LEU B 11 3.140 -8.698 -7.638 1.00 20.51 H new ATOM 0 HA LEU B 11 1.894 -6.237 -7.558 1.00 45.10 H new ATOM 0 HB2 LEU B 11 1.674 -8.523 -5.569 1.00 72.14 H new ATOM 0 HB3 LEU B 11 0.488 -7.254 -5.802 1.00 72.14 H new ATOM 0 HG LEU B 11 1.238 -9.431 -7.769 1.00 33.51 H new ATOM 0 HD11 LEU B 11 -1.115 -10.104 -7.483 1.00 33.34 H new ATOM 0 HD12 LEU B 11 -0.224 -10.149 -5.943 1.00 33.34 H new ATOM 0 HD13 LEU B 11 -1.337 -8.804 -6.288 1.00 33.34 H new ATOM 0 HD21 LEU B 11 -0.499 -8.479 -9.235 1.00 33.31 H new ATOM 0 HD22 LEU B 11 -0.697 -7.116 -8.108 1.00 33.31 H new ATOM 0 HD23 LEU B 11 0.841 -7.339 -8.974 1.00 33.31 H new ATOM 1199 N PHE B 12 3.812 -6.774 -4.928 1.00 74.53 N ATOM 1200 CA PHE B 12 4.460 -6.122 -3.797 1.00 53.22 C ATOM 1201 C PHE B 12 5.521 -5.135 -4.274 1.00 53.50 C ATOM 1202 O PHE B 12 5.832 -4.162 -3.587 1.00 73.41 O ATOM 1203 CB PHE B 12 5.094 -7.165 -2.875 1.00 11.53 C ATOM 1204 CG PHE B 12 4.094 -8.071 -2.216 1.00 14.12 C ATOM 1205 CD1 PHE B 12 2.946 -7.552 -1.638 1.00 2.15 C ATOM 1206 CD2 PHE B 12 4.300 -9.440 -2.175 1.00 45.31 C ATOM 1207 CE1 PHE B 12 2.025 -8.383 -1.030 1.00 20.14 C ATOM 1208 CE2 PHE B 12 3.382 -10.276 -1.569 1.00 21.23 C ATOM 1209 CZ PHE B 12 2.242 -9.747 -0.997 1.00 2.52 C ATOM 0 H PHE B 12 4.092 -7.744 -5.072 1.00 74.53 H new ATOM 0 HA PHE B 12 3.700 -5.571 -3.242 1.00 53.22 H new ATOM 0 HB2 PHE B 12 5.795 -7.769 -3.451 1.00 11.53 H new ATOM 0 HB3 PHE B 12 5.672 -6.654 -2.105 1.00 11.53 H new ATOM 0 HD1 PHE B 12 2.770 -6.487 -1.663 1.00 2.15 H new ATOM 0 HD2 PHE B 12 5.189 -9.859 -2.622 1.00 45.31 H new ATOM 0 HE1 PHE B 12 1.136 -7.967 -0.581 1.00 20.14 H new ATOM 0 HE2 PHE B 12 3.556 -11.342 -1.543 1.00 21.23 H new ATOM 0 HZ PHE B 12 1.521 -10.398 -0.525 1.00 2.52 H new ATOM 1219 N GLU B 13 6.073 -5.393 -5.455 1.00 3.51 N ATOM 1220 CA GLU B 13 7.101 -4.528 -6.023 1.00 35.14 C ATOM 1221 C GLU B 13 6.551 -3.129 -6.285 1.00 73.41 C ATOM 1222 O GLU B 13 7.194 -2.130 -5.969 1.00 14.31 O ATOM 1223 CB GLU B 13 7.642 -5.127 -7.323 1.00 3.34 C ATOM 1224 CG GLU B 13 9.159 -5.155 -7.395 1.00 44.43 C ATOM 1225 CD GLU B 13 9.674 -6.014 -8.534 1.00 35.34 C ATOM 1226 OE1 GLU B 13 10.638 -5.592 -9.206 1.00 61.14 O ATOM 1227 OE2 GLU B 13 9.113 -7.109 -8.751 1.00 50.22 O ATOM 0 H GLU B 13 5.826 -6.193 -6.037 1.00 3.51 H new ATOM 0 HA GLU B 13 7.914 -4.451 -5.301 1.00 35.14 H new ATOM 0 HB2 GLU B 13 7.263 -6.143 -7.430 1.00 3.34 H new ATOM 0 HB3 GLU B 13 7.257 -4.553 -8.166 1.00 3.34 H new ATOM 0 HG2 GLU B 13 9.532 -4.138 -7.515 1.00 44.43 H new ATOM 0 HG3 GLU B 13 9.557 -5.531 -6.453 1.00 44.43 H new ATOM 1235 N GLU B 14 5.357 -3.069 -6.867 1.00 31.21 N ATOM 1236 CA GLU B 14 4.721 -1.793 -7.173 1.00 35.02 C ATOM 1237 C GLU B 14 4.183 -1.135 -5.906 1.00 10.15 C ATOM 1238 O GLU B 14 4.162 0.091 -5.791 1.00 2.11 O ATOM 1239 CB GLU B 14 3.584 -1.993 -8.178 1.00 32.10 C ATOM 1240 CG GLU B 14 3.973 -2.843 -9.375 1.00 22.03 C ATOM 1241 CD GLU B 14 3.163 -2.513 -10.614 1.00 4.34 C ATOM 1242 OE1 GLU B 14 3.253 -1.363 -11.091 1.00 53.54 O ATOM 1243 OE2 GLU B 14 2.439 -3.403 -11.105 1.00 62.32 O ATOM 0 H GLU B 14 4.812 -3.888 -7.136 1.00 31.21 H new ATOM 0 HA GLU B 14 5.474 -1.137 -7.611 1.00 35.02 H new ATOM 0 HB2 GLU B 14 2.740 -2.460 -7.671 1.00 32.10 H new ATOM 0 HB3 GLU B 14 3.245 -1.018 -8.530 1.00 32.10 H new ATOM 0 HG2 GLU B 14 5.032 -2.699 -9.589 1.00 22.03 H new ATOM 0 HG3 GLU B 14 3.838 -3.896 -9.127 1.00 22.03 H new ATOM 1251 N TRP B 15 3.750 -1.958 -4.957 1.00 12.11 N ATOM 1252 CA TRP B 15 3.211 -1.456 -3.698 1.00 3.30 C ATOM 1253 C TRP B 15 4.258 -0.642 -2.944 1.00 22.32 C ATOM 1254 O TRP B 15 3.965 0.435 -2.424 1.00 70.12 O ATOM 1255 CB TRP B 15 2.728 -2.617 -2.827 1.00 70.14 C ATOM 1256 CG TRP B 15 1.238 -2.782 -2.832 1.00 10.41 C ATOM 1257 CD1 TRP B 15 0.376 -2.421 -3.829 1.00 1.12 C ATOM 1258 CD2 TRP B 15 0.435 -3.348 -1.790 1.00 41.42 C ATOM 1259 NE1 TRP B 15 -0.914 -2.728 -3.469 1.00 3.22 N ATOM 1260 CE2 TRP B 15 -0.904 -3.298 -2.224 1.00 34.44 C ATOM 1261 CE3 TRP B 15 0.718 -3.892 -0.535 1.00 31.21 C ATOM 1262 CZ2 TRP B 15 -1.957 -3.772 -1.444 1.00 25.33 C ATOM 1263 CZ3 TRP B 15 -0.327 -4.362 0.237 1.00 33.11 C ATOM 1264 CH2 TRP B 15 -1.651 -4.300 -0.219 1.00 63.33 C ATOM 0 H TRP B 15 3.762 -2.975 -5.035 1.00 12.11 H new ATOM 0 HA TRP B 15 2.366 -0.806 -3.927 1.00 3.30 H new ATOM 0 HB2 TRP B 15 3.190 -3.541 -3.176 1.00 70.14 H new ATOM 0 HB3 TRP B 15 3.066 -2.459 -1.803 1.00 70.14 H new ATOM 0 HD1 TRP B 15 0.666 -1.962 -4.763 1.00 1.12 H new ATOM 0 HE1 TRP B 15 -1.744 -2.559 -4.037 1.00 3.22 H new ATOM 0 HE3 TRP B 15 1.735 -3.944 -0.175 1.00 31.21 H new ATOM 0 HZ2 TRP B 15 -2.978 -3.724 -1.794 1.00 25.33 H new ATOM 0 HZ3 TRP B 15 -0.120 -4.785 1.209 1.00 33.11 H new ATOM 0 HH2 TRP B 15 -2.445 -4.676 0.409 1.00 63.33 H new ATOM 1275 N LYS B 16 5.479 -1.163 -2.889 1.00 15.30 N ATOM 1276 CA LYS B 16 6.570 -0.484 -2.200 1.00 13.41 C ATOM 1277 C LYS B 16 7.114 0.666 -3.043 1.00 30.41 C ATOM 1278 O LYS B 16 7.688 1.619 -2.515 1.00 75.32 O ATOM 1279 CB LYS B 16 7.694 -1.473 -1.882 1.00 70.41 C ATOM 1280 CG LYS B 16 8.504 -1.885 -3.099 1.00 62.40 C ATOM 1281 CD LYS B 16 9.661 -2.793 -2.717 1.00 53.20 C ATOM 1282 CE LYS B 16 10.925 -1.995 -2.435 1.00 12.31 C ATOM 1283 NZ LYS B 16 11.603 -1.567 -3.690 1.00 11.34 N ATOM 0 H LYS B 16 5.738 -2.054 -3.313 1.00 15.30 H new ATOM 0 HA LYS B 16 6.179 -0.075 -1.268 1.00 13.41 H new ATOM 0 HB2 LYS B 16 8.362 -1.026 -1.146 1.00 70.41 H new ATOM 0 HB3 LYS B 16 7.264 -2.364 -1.424 1.00 70.41 H new ATOM 0 HG2 LYS B 16 7.857 -2.398 -3.811 1.00 62.40 H new ATOM 0 HG3 LYS B 16 8.888 -0.996 -3.600 1.00 62.40 H new ATOM 0 HD2 LYS B 16 9.393 -3.375 -1.835 1.00 53.20 H new ATOM 0 HD3 LYS B 16 9.849 -3.503 -3.522 1.00 53.20 H new ATOM 0 HE2 LYS B 16 10.675 -1.117 -1.840 1.00 12.31 H new ATOM 0 HE3 LYS B 16 11.610 -2.599 -1.840 1.00 12.31 H new ATOM 0 HZ1 LYS B 16 12.460 -1.026 -3.455 1.00 11.34 H new ATOM 0 HZ2 LYS B 16 11.865 -2.406 -4.246 1.00 11.34 H new ATOM 0 HZ3 LYS B 16 10.959 -0.970 -4.246 1.00 11.34 H new ATOM 1297 N LYS B 17 6.929 0.570 -4.355 1.00 61.41 N ATOM 1298 CA LYS B 17 7.398 1.603 -5.271 1.00 21.50 C ATOM 1299 C LYS B 17 6.505 2.838 -5.203 1.00 1.33 C ATOM 1300 O LYS B 17 6.990 3.957 -5.028 1.00 34.22 O ATOM 1301 CB LYS B 17 7.432 1.065 -6.703 1.00 64.14 C ATOM 1302 CG LYS B 17 8.778 0.483 -7.103 1.00 54.41 C ATOM 1303 CD LYS B 17 9.295 1.108 -8.388 1.00 52.25 C ATOM 1304 CE LYS B 17 10.025 2.415 -8.119 1.00 5.44 C ATOM 1305 NZ LYS B 17 9.139 3.596 -8.311 1.00 31.30 N ATOM 0 H LYS B 17 6.457 -0.213 -4.808 1.00 61.41 H new ATOM 0 HA LYS B 17 8.406 1.888 -4.971 1.00 21.50 H new ATOM 0 HB2 LYS B 17 6.667 0.297 -6.812 1.00 64.14 H new ATOM 0 HB3 LYS B 17 7.175 1.870 -7.391 1.00 64.14 H new ATOM 0 HG2 LYS B 17 9.499 0.646 -6.302 1.00 54.41 H new ATOM 0 HG3 LYS B 17 8.685 -0.595 -7.233 1.00 54.41 H new ATOM 0 HD2 LYS B 17 9.968 0.411 -8.888 1.00 52.25 H new ATOM 0 HD3 LYS B 17 8.461 1.289 -9.067 1.00 52.25 H new ATOM 0 HE2 LYS B 17 10.410 2.412 -7.099 1.00 5.44 H new ATOM 0 HE3 LYS B 17 10.885 2.494 -8.784 1.00 5.44 H new ATOM 0 HZ1 LYS B 17 9.709 4.465 -8.285 1.00 31.30 H new ATOM 0 HZ2 LYS B 17 8.659 3.524 -9.231 1.00 31.30 H new ATOM 0 HZ3 LYS B 17 8.429 3.625 -7.551 1.00 31.30 H new ATOM 1319 N LEU B 18 5.201 2.628 -5.338 1.00 62.31 N ATOM 1320 CA LEU B 18 4.240 3.725 -5.290 1.00 2.11 C ATOM 1321 C LEU B 18 4.397 4.528 -4.003 1.00 74.11 C ATOM 1322 O LEU B 18 4.103 5.723 -3.966 1.00 10.34 O ATOM 1323 CB LEU B 18 2.814 3.184 -5.397 1.00 74.35 C ATOM 1324 CG LEU B 18 2.432 2.556 -6.738 1.00 44.41 C ATOM 1325 CD1 LEU B 18 1.050 1.925 -6.660 1.00 4.41 C ATOM 1326 CD2 LEU B 18 2.484 3.596 -7.848 1.00 44.01 C ATOM 0 H LEU B 18 4.784 1.708 -5.482 1.00 62.31 H new ATOM 0 HA LEU B 18 4.435 4.385 -6.135 1.00 2.11 H new ATOM 0 HB2 LEU B 18 2.670 2.438 -4.615 1.00 74.35 H new ATOM 0 HB3 LEU B 18 2.121 4.000 -5.190 1.00 74.35 H new ATOM 0 HG LEU B 18 3.153 1.772 -6.968 1.00 44.41 H new ATOM 0 HD11 LEU B 18 0.797 1.484 -7.624 1.00 4.41 H new ATOM 0 HD12 LEU B 18 1.047 1.150 -5.894 1.00 4.41 H new ATOM 0 HD13 LEU B 18 0.315 2.689 -6.406 1.00 4.41 H new ATOM 0 HD21 LEU B 18 2.209 3.131 -8.795 1.00 44.01 H new ATOM 0 HD22 LEU B 18 1.786 4.403 -7.624 1.00 44.01 H new ATOM 0 HD23 LEU B 18 3.494 4.000 -7.921 1.00 44.01 H new ATOM 1338 N ALA B 19 4.862 3.865 -2.950 1.00 31.22 N ATOM 1339 CA ALA B 19 5.061 4.518 -1.662 1.00 21.31 C ATOM 1340 C ALA B 19 6.131 5.600 -1.755 1.00 65.43 C ATOM 1341 O ALA B 19 6.136 6.549 -0.973 1.00 55.41 O ATOM 1342 CB ALA B 19 5.435 3.492 -0.602 1.00 15.31 C ATOM 0 H ALA B 19 5.108 2.875 -2.963 1.00 31.22 H new ATOM 0 HA ALA B 19 4.124 4.995 -1.375 1.00 21.31 H new ATOM 0 HB1 ALA B 19 5.581 3.994 0.355 1.00 15.31 H new ATOM 0 HB2 ALA B 19 4.635 2.757 -0.508 1.00 15.31 H new ATOM 0 HB3 ALA B 19 6.358 2.989 -0.892 1.00 15.31 H new ATOM 1348 N GLU B 20 7.038 5.448 -2.716 1.00 41.33 N ATOM 1349 CA GLU B 20 8.115 6.412 -2.909 1.00 32.14 C ATOM 1350 C GLU B 20 7.583 7.705 -3.521 1.00 11.34 C ATOM 1351 O GLU B 20 7.869 8.798 -3.032 1.00 44.32 O ATOM 1352 CB GLU B 20 9.205 5.821 -3.805 1.00 61.51 C ATOM 1353 CG GLU B 20 9.606 4.406 -3.422 1.00 31.02 C ATOM 1354 CD GLU B 20 11.109 4.207 -3.422 1.00 22.35 C ATOM 1355 OE1 GLU B 20 11.813 5.009 -2.774 1.00 2.22 O ATOM 1356 OE2 GLU B 20 11.581 3.249 -4.068 1.00 22.24 O ATOM 0 H GLU B 20 7.048 4.667 -3.372 1.00 41.33 H new ATOM 0 HA GLU B 20 8.543 6.641 -1.933 1.00 32.14 H new ATOM 0 HB2 GLU B 20 8.856 5.824 -4.838 1.00 61.51 H new ATOM 0 HB3 GLU B 20 10.085 6.463 -3.764 1.00 61.51 H new ATOM 0 HG2 GLU B 20 9.213 4.176 -2.432 1.00 31.02 H new ATOM 0 HG3 GLU B 20 9.150 3.702 -4.118 1.00 31.02 H new ATOM 1364 N GLU B 21 6.810 7.571 -4.594 1.00 10.10 N ATOM 1365 CA GLU B 21 6.240 8.728 -5.274 1.00 12.44 C ATOM 1366 C GLU B 21 5.125 9.354 -4.441 1.00 22.30 C ATOM 1367 O GLU B 21 5.120 10.560 -4.197 1.00 0.04 O ATOM 1368 CB GLU B 21 5.702 8.327 -6.648 1.00 42.25 C ATOM 1369 CG GLU B 21 6.709 7.572 -7.499 1.00 64.40 C ATOM 1370 CD GLU B 21 7.135 8.351 -8.728 1.00 62.02 C ATOM 1371 OE1 GLU B 21 8.348 8.377 -9.023 1.00 5.14 O ATOM 1372 OE2 GLU B 21 6.256 8.935 -9.396 1.00 33.34 O ATOM 0 H GLU B 21 6.564 6.673 -5.011 1.00 10.10 H new ATOM 0 HA GLU B 21 7.031 9.467 -5.404 1.00 12.44 H new ATOM 0 HB2 GLU B 21 4.815 7.708 -6.515 1.00 42.25 H new ATOM 0 HB3 GLU B 21 5.388 9.224 -7.182 1.00 42.25 H new ATOM 0 HG2 GLU B 21 7.588 7.342 -6.897 1.00 64.40 H new ATOM 0 HG3 GLU B 21 6.277 6.621 -7.808 1.00 64.40 H new ATOM 1380 N ALA B 22 4.180 8.524 -4.010 1.00 1.41 N ATOM 1381 CA ALA B 22 3.061 8.994 -3.204 1.00 15.21 C ATOM 1382 C ALA B 22 3.549 9.746 -1.970 1.00 52.50 C ATOM 1383 O ALA B 22 2.884 10.660 -1.484 1.00 50.23 O ATOM 1384 CB ALA B 22 2.176 7.826 -2.797 1.00 24.25 C ATOM 0 H ALA B 22 4.168 7.523 -4.206 1.00 1.41 H new ATOM 0 HA ALA B 22 2.475 9.685 -3.810 1.00 15.21 H new ATOM 0 HB1 ALA B 22 1.344 8.192 -2.195 1.00 24.25 H new ATOM 0 HB2 ALA B 22 1.789 7.334 -3.690 1.00 24.25 H new ATOM 0 HB3 ALA B 22 2.759 7.113 -2.214 1.00 24.25 H new ATOM 1390 N ALA B 23 4.715 9.354 -1.468 1.00 21.35 N ATOM 1391 CA ALA B 23 5.293 9.991 -0.291 1.00 71.03 C ATOM 1392 C ALA B 23 5.787 11.397 -0.615 1.00 75.15 C ATOM 1393 O ALA B 23 5.406 12.367 0.040 1.00 1.55 O ATOM 1394 CB ALA B 23 6.431 9.146 0.263 1.00 74.30 C ATOM 0 H ALA B 23 5.278 8.598 -1.858 1.00 21.35 H new ATOM 0 HA ALA B 23 4.513 10.072 0.466 1.00 71.03 H new ATOM 0 HB1 ALA B 23 6.853 9.634 1.141 1.00 74.30 H new ATOM 0 HB2 ALA B 23 6.052 8.163 0.541 1.00 74.30 H new ATOM 0 HB3 ALA B 23 7.205 9.035 -0.497 1.00 74.30 H new ATOM 1400 N LYS B 24 6.638 11.501 -1.631 1.00 34.50 N ATOM 1401 CA LYS B 24 7.183 12.788 -2.044 1.00 42.53 C ATOM 1402 C LYS B 24 6.078 13.715 -2.540 1.00 13.02 C ATOM 1403 O LYS B 24 6.139 14.930 -2.346 1.00 4.10 O ATOM 1404 CB LYS B 24 8.230 12.592 -3.143 1.00 40.24 C ATOM 1405 CG LYS B 24 7.717 11.808 -4.339 1.00 20.23 C ATOM 1406 CD LYS B 24 8.795 11.635 -5.396 1.00 52.21 C ATOM 1407 CE LYS B 24 8.741 12.746 -6.433 1.00 41.51 C ATOM 1408 NZ LYS B 24 8.262 12.250 -7.752 1.00 72.44 N ATOM 0 H LYS B 24 6.965 10.708 -2.183 1.00 34.50 H new ATOM 0 HA LYS B 24 7.656 13.248 -1.177 1.00 42.53 H new ATOM 0 HB2 LYS B 24 8.577 13.568 -3.481 1.00 40.24 H new ATOM 0 HB3 LYS B 24 9.093 12.075 -2.723 1.00 40.24 H new ATOM 0 HG2 LYS B 24 7.367 10.829 -4.011 1.00 20.23 H new ATOM 0 HG3 LYS B 24 6.860 12.323 -4.773 1.00 20.23 H new ATOM 0 HD2 LYS B 24 9.775 11.628 -4.920 1.00 52.21 H new ATOM 0 HD3 LYS B 24 8.672 10.670 -5.888 1.00 52.21 H new ATOM 0 HE2 LYS B 24 8.081 13.539 -6.082 1.00 41.51 H new ATOM 0 HE3 LYS B 24 9.732 13.184 -6.548 1.00 41.51 H new ATOM 0 HZ1 LYS B 24 8.239 13.037 -8.431 1.00 72.44 H new ATOM 0 HZ2 LYS B 24 8.906 11.511 -8.100 1.00 72.44 H new ATOM 0 HZ3 LYS B 24 7.306 11.855 -7.648 1.00 72.44 H new ATOM 1422 N LEU B 25 5.068 13.134 -3.177 1.00 54.12 N ATOM 1423 CA LEU B 25 3.946 13.908 -3.700 1.00 12.44 C ATOM 1424 C LEU B 25 2.996 14.316 -2.578 1.00 2.43 C ATOM 1425 O LEU B 25 2.476 15.432 -2.565 1.00 3.33 O ATOM 1426 CB LEU B 25 3.190 13.100 -4.754 1.00 62.22 C ATOM 1427 CG LEU B 25 3.483 13.458 -6.212 1.00 11.25 C ATOM 1428 CD1 LEU B 25 2.656 12.594 -7.151 1.00 24.14 C ATOM 1429 CD2 LEU B 25 3.208 14.934 -6.464 1.00 3.42 C ATOM 0 H LEU B 25 5.002 12.130 -3.344 1.00 54.12 H new ATOM 0 HA LEU B 25 4.344 14.812 -4.161 1.00 12.44 H new ATOM 0 HB2 LEU B 25 3.419 12.045 -4.607 1.00 62.22 H new ATOM 0 HB3 LEU B 25 2.121 13.222 -4.579 1.00 62.22 H new ATOM 0 HG LEU B 25 4.538 13.265 -6.408 1.00 11.25 H new ATOM 0 HD11 LEU B 25 2.878 12.863 -8.184 1.00 24.14 H new ATOM 0 HD12 LEU B 25 2.900 11.544 -6.989 1.00 24.14 H new ATOM 0 HD13 LEU B 25 1.596 12.754 -6.954 1.00 24.14 H new ATOM 0 HD21 LEU B 25 3.422 15.171 -7.506 1.00 3.42 H new ATOM 0 HD22 LEU B 25 2.161 15.151 -6.250 1.00 3.42 H new ATOM 0 HD23 LEU B 25 3.844 15.538 -5.817 1.00 3.42 H new ATOM 1441 N LEU B 26 2.778 13.405 -1.635 1.00 75.22 N ATOM 1442 CA LEU B 26 1.892 13.671 -0.507 1.00 22.45 C ATOM 1443 C LEU B 26 2.250 14.990 0.169 1.00 74.24 C ATOM 1444 O LEU B 26 1.385 15.836 0.396 1.00 20.10 O ATOM 1445 CB LEU B 26 1.970 12.527 0.508 1.00 45.55 C ATOM 1446 CG LEU B 26 0.861 11.479 0.425 1.00 52.11 C ATOM 1447 CD1 LEU B 26 1.159 10.312 1.353 1.00 23.12 C ATOM 1448 CD2 LEU B 26 -0.487 12.100 0.762 1.00 12.23 C ATOM 0 H LEU B 26 3.202 12.477 -1.629 1.00 75.22 H new ATOM 0 HA LEU B 26 0.873 13.744 -0.887 1.00 22.45 H new ATOM 0 HB2 LEU B 26 2.929 12.023 0.384 1.00 45.55 H new ATOM 0 HB3 LEU B 26 1.963 12.956 1.510 1.00 45.55 H new ATOM 0 HG LEU B 26 0.819 11.103 -0.597 1.00 52.11 H new ATOM 0 HD11 LEU B 26 0.358 9.576 1.280 1.00 23.12 H new ATOM 0 HD12 LEU B 26 2.104 9.850 1.065 1.00 23.12 H new ATOM 0 HD13 LEU B 26 1.229 10.672 2.379 1.00 23.12 H new ATOM 0 HD21 LEU B 26 -1.265 11.339 0.698 1.00 12.23 H new ATOM 0 HD22 LEU B 26 -0.458 12.505 1.774 1.00 12.23 H new ATOM 0 HD23 LEU B 26 -0.705 12.902 0.056 1.00 12.23 H new ATOM 1460 N GLU B 27 3.530 15.160 0.484 1.00 50.13 N ATOM 1461 CA GLU B 27 4.001 16.378 1.131 1.00 45.22 C ATOM 1462 C GLU B 27 4.432 17.413 0.095 1.00 11.42 C ATOM 1463 O GLU B 27 5.066 18.413 0.428 1.00 52.34 O ATOM 1464 CB GLU B 27 5.169 16.064 2.069 1.00 14.22 C ATOM 1465 CG GLU B 27 4.916 14.873 2.978 1.00 11.11 C ATOM 1466 CD GLU B 27 3.829 15.140 4.001 1.00 74.11 C ATOM 1467 OE1 GLU B 27 2.658 14.806 3.723 1.00 51.24 O ATOM 1468 OE2 GLU B 27 4.148 15.684 5.079 1.00 33.32 O ATOM 0 H GLU B 27 4.259 14.470 0.302 1.00 50.13 H new ATOM 0 HA GLU B 27 3.177 16.792 1.712 1.00 45.22 H new ATOM 0 HB2 GLU B 27 6.061 15.872 1.473 1.00 14.22 H new ATOM 0 HB3 GLU B 27 5.377 16.941 2.682 1.00 14.22 H new ATOM 0 HG2 GLU B 27 4.636 14.011 2.372 1.00 11.11 H new ATOM 0 HG3 GLU B 27 5.840 14.612 3.495 1.00 11.11 H new ATOM 1476 N GLY B 28 4.082 17.164 -1.163 1.00 34.53 N ATOM 1477 CA GLY B 28 4.439 18.082 -2.228 1.00 62.25 C ATOM 1478 C GLY B 28 3.875 19.472 -2.010 1.00 33.40 C ATOM 1479 O GLY B 28 4.292 20.428 -2.663 1.00 34.23 O ATOM 0 H GLY B 28 3.557 16.342 -1.463 1.00 34.53 H new ATOM 0 HA2 GLY B 28 5.525 18.142 -2.303 1.00 62.25 H new ATOM 0 HA3 GLY B 28 4.075 17.691 -3.178 1.00 62.25 H new ATOM 1483 N GLY B 29 2.922 19.584 -1.090 1.00 12.31 N ATOM 1484 CA GLY B 29 2.314 20.871 -0.805 1.00 52.30 C ATOM 1485 C GLY B 29 0.807 20.782 -0.666 1.00 73.32 C ATOM 1486 O GLY B 29 0.076 21.605 -1.217 1.00 44.22 O ATOM 0 H GLY B 29 2.560 18.807 -0.537 1.00 12.31 H new ATOM 0 HA2 GLY B 29 2.738 21.274 0.115 1.00 52.30 H new ATOM 0 HA3 GLY B 29 2.562 21.571 -1.603 1.00 52.30 H new ATOM 1490 N GLY B 30 0.340 19.779 0.071 1.00 51.21 N ATOM 1491 CA GLY B 30 -1.087 19.603 0.266 1.00 24.30 C ATOM 1492 C GLY B 30 -1.576 20.221 1.560 1.00 72.23 C ATOM 1493 O GLY B 30 -2.241 21.256 1.550 1.00 52.21 O ATOM 0 H GLY B 30 0.925 19.085 0.537 1.00 51.21 H new ATOM 0 HA2 GLY B 30 -1.623 20.050 -0.572 1.00 24.30 H new ATOM 0 HA3 GLY B 30 -1.322 18.539 0.264 1.00 24.30 H new ATOM 1497 N GLY B 31 -1.250 19.583 2.680 1.00 42.01 N ATOM 1498 CA GLY B 31 -1.670 20.091 3.972 1.00 22.44 C ATOM 1499 C GLY B 31 -1.229 19.200 5.117 1.00 23.50 C ATOM 1500 O GLY B 31 -1.525 18.005 5.132 1.00 20.34 O ATOM 0 H GLY B 31 -0.702 18.723 2.715 1.00 42.01 H new ATOM 0 HA2 GLY B 31 -1.261 21.091 4.116 1.00 22.44 H new ATOM 0 HA3 GLY B 31 -2.756 20.185 3.986 1.00 22.44 H new ATOM 1504 N GLY B 32 -0.517 19.781 6.078 1.00 62.34 N ATOM 1505 CA GLY B 32 -0.045 19.016 7.217 1.00 63.21 C ATOM 1506 C GLY B 32 0.525 19.896 8.310 1.00 11.55 C ATOM 1507 O GLY B 32 0.111 21.043 8.473 1.00 33.54 O ATOM 0 H GLY B 32 -0.259 20.768 6.088 1.00 62.34 H new ATOM 0 HA2 GLY B 32 -0.868 18.427 7.621 1.00 63.21 H new ATOM 0 HA3 GLY B 32 0.719 18.312 6.887 1.00 63.21 H new ATOM 1511 N GLY B 33 1.480 19.359 9.065 1.00 52.11 N ATOM 1512 CA GLY B 33 2.090 20.117 10.141 1.00 53.33 C ATOM 1513 C GLY B 33 3.166 19.332 10.865 1.00 54.35 C ATOM 1514 O GLY B 33 4.210 19.879 11.221 1.00 73.40 O ATOM 0 H GLY B 33 1.841 18.412 8.950 1.00 52.11 H new ATOM 0 HA2 GLY B 33 2.522 21.032 9.737 1.00 53.33 H new ATOM 0 HA3 GLY B 33 1.321 20.415 10.853 1.00 53.33 H new ATOM 1518 N GLY B 34 2.911 18.046 11.086 1.00 12.53 N ATOM 1519 CA GLY B 34 3.874 17.207 11.773 1.00 4.43 C ATOM 1520 C GLY B 34 4.471 16.147 10.868 1.00 32.44 C ATOM 1521 O GLY B 34 3.835 15.712 9.909 1.00 32.02 O ATOM 0 H GLY B 34 2.055 17.571 10.801 1.00 12.53 H new ATOM 0 HA2 GLY B 34 4.673 17.830 12.174 1.00 4.43 H new ATOM 0 HA3 GLY B 34 3.390 16.724 12.622 1.00 4.43 H new ATOM 1525 N GLY B 35 5.696 15.731 11.173 1.00 10.00 N ATOM 1526 CA GLY B 35 6.357 14.720 10.369 1.00 22.52 C ATOM 1527 C GLY B 35 5.632 13.389 10.398 1.00 21.20 C ATOM 1528 O GLY B 35 5.746 12.592 9.468 1.00 41.33 O ATOM 0 H GLY B 35 6.242 16.076 11.962 1.00 10.00 H new ATOM 0 HA2 GLY B 35 6.428 15.069 9.339 1.00 22.52 H new ATOM 0 HA3 GLY B 35 7.376 14.583 10.730 1.00 22.52 H new ATOM 1532 N GLU B 36 4.885 13.148 11.471 1.00 14.32 N ATOM 1533 CA GLU B 36 4.140 11.903 11.618 1.00 34.33 C ATOM 1534 C GLU B 36 3.270 11.641 10.392 1.00 12.42 C ATOM 1535 O GLU B 36 3.012 10.491 10.034 1.00 74.20 O ATOM 1536 CB GLU B 36 3.269 11.949 12.876 1.00 73.41 C ATOM 1537 CG GLU B 36 2.298 10.785 12.987 1.00 42.40 C ATOM 1538 CD GLU B 36 1.502 10.811 14.277 1.00 22.40 C ATOM 1539 OE1 GLU B 36 0.291 11.109 14.220 1.00 33.43 O ATOM 1540 OE2 GLU B 36 2.090 10.534 15.343 1.00 24.24 O ATOM 0 H GLU B 36 4.780 13.798 12.250 1.00 14.32 H new ATOM 0 HA GLU B 36 4.858 11.089 11.712 1.00 34.33 H new ATOM 0 HB2 GLU B 36 3.914 11.958 13.754 1.00 73.41 H new ATOM 0 HB3 GLU B 36 2.706 12.883 12.884 1.00 73.41 H new ATOM 0 HG2 GLU B 36 1.612 10.807 12.140 1.00 42.40 H new ATOM 0 HG3 GLU B 36 2.851 9.848 12.925 1.00 42.40 H new ATOM 1548 N LEU B 37 2.820 12.716 9.754 1.00 23.43 N ATOM 1549 CA LEU B 37 1.978 12.604 8.568 1.00 73.33 C ATOM 1550 C LEU B 37 2.616 11.684 7.532 1.00 61.32 C ATOM 1551 O LEU B 37 2.002 10.714 7.086 1.00 13.11 O ATOM 1552 CB LEU B 37 1.734 13.985 7.959 1.00 72.04 C ATOM 1553 CG LEU B 37 1.026 14.007 6.604 1.00 63.44 C ATOM 1554 CD1 LEU B 37 -0.352 13.373 6.712 1.00 72.42 C ATOM 1555 CD2 LEU B 37 0.920 15.431 6.079 1.00 15.34 C ATOM 0 H LEU B 37 3.024 13.674 10.038 1.00 23.43 H new ATOM 0 HA LEU B 37 1.023 12.174 8.870 1.00 73.33 H new ATOM 0 HB2 LEU B 37 1.144 14.571 8.664 1.00 72.04 H new ATOM 0 HB3 LEU B 37 2.695 14.488 7.852 1.00 72.04 H new ATOM 0 HG LEU B 37 1.618 13.425 5.898 1.00 63.44 H new ATOM 0 HD11 LEU B 37 -0.841 13.398 5.738 1.00 72.42 H new ATOM 0 HD12 LEU B 37 -0.252 12.339 7.042 1.00 72.42 H new ATOM 0 HD13 LEU B 37 -0.952 13.927 7.433 1.00 72.42 H new ATOM 0 HD21 LEU B 37 0.413 15.426 5.114 1.00 15.34 H new ATOM 0 HD22 LEU B 37 0.352 16.037 6.784 1.00 15.34 H new ATOM 0 HD23 LEU B 37 1.919 15.851 5.962 1.00 15.34 H new ATOM 1567 N MET B 38 3.851 11.994 7.154 1.00 21.04 N ATOM 1568 CA MET B 38 4.574 11.193 6.172 1.00 21.35 C ATOM 1569 C MET B 38 4.976 9.845 6.762 1.00 1.31 C ATOM 1570 O MET B 38 4.920 8.818 6.085 1.00 2.13 O ATOM 1571 CB MET B 38 5.816 11.941 5.686 1.00 50.51 C ATOM 1572 CG MET B 38 6.610 11.184 4.635 1.00 23.30 C ATOM 1573 SD MET B 38 6.266 11.753 2.960 1.00 33.51 S ATOM 1574 CE MET B 38 4.516 11.390 2.832 1.00 1.03 C ATOM 0 H MET B 38 4.373 12.794 7.512 1.00 21.04 H new ATOM 0 HA MET B 38 3.911 11.017 5.325 1.00 21.35 H new ATOM 0 HB2 MET B 38 5.512 12.904 5.276 1.00 50.51 H new ATOM 0 HB3 MET B 38 6.463 12.147 6.539 1.00 50.51 H new ATOM 0 HG2 MET B 38 7.675 11.295 4.840 1.00 23.30 H new ATOM 0 HG3 MET B 38 6.380 10.121 4.708 1.00 23.30 H new ATOM 0 HE1 MET B 38 4.185 11.553 1.806 1.00 1.03 H new ATOM 0 HE2 MET B 38 4.339 10.351 3.110 1.00 1.03 H new ATOM 0 HE3 MET B 38 3.959 12.045 3.502 1.00 1.03 H new ATOM 1584 N LYS B 39 5.383 9.855 8.027 1.00 42.15 N ATOM 1585 CA LYS B 39 5.795 8.633 8.708 1.00 4.24 C ATOM 1586 C LYS B 39 4.686 7.587 8.666 1.00 34.43 C ATOM 1587 O LYS B 39 4.950 6.385 8.697 1.00 43.11 O ATOM 1588 CB LYS B 39 6.171 8.936 10.160 1.00 72.14 C ATOM 1589 CG LYS B 39 6.678 7.724 10.923 1.00 54.22 C ATOM 1590 CD LYS B 39 6.566 7.925 12.425 1.00 63.42 C ATOM 1591 CE LYS B 39 7.293 6.829 13.189 1.00 41.52 C ATOM 1592 NZ LYS B 39 6.647 6.543 14.499 1.00 14.43 N ATOM 0 H LYS B 39 5.436 10.696 8.602 1.00 42.15 H new ATOM 0 HA LYS B 39 6.667 8.234 8.190 1.00 4.24 H new ATOM 0 HB2 LYS B 39 6.938 9.710 10.174 1.00 72.14 H new ATOM 0 HB3 LYS B 39 5.300 9.341 10.675 1.00 72.14 H new ATOM 0 HG2 LYS B 39 6.107 6.843 10.629 1.00 54.22 H new ATOM 0 HG3 LYS B 39 7.718 7.534 10.657 1.00 54.22 H new ATOM 0 HD2 LYS B 39 6.982 8.896 12.695 1.00 63.42 H new ATOM 0 HD3 LYS B 39 5.515 7.936 12.714 1.00 63.42 H new ATOM 0 HE2 LYS B 39 7.313 5.920 12.588 1.00 41.52 H new ATOM 0 HE3 LYS B 39 8.329 7.126 13.352 1.00 41.52 H new ATOM 0 HZ1 LYS B 39 7.172 5.791 14.988 1.00 14.43 H new ATOM 0 HZ2 LYS B 39 6.650 7.404 15.083 1.00 14.43 H new ATOM 0 HZ3 LYS B 39 5.666 6.235 14.342 1.00 14.43 H new ATOM 1606 N LEU B 40 3.443 8.052 8.596 1.00 33.32 N ATOM 1607 CA LEU B 40 2.293 7.156 8.549 1.00 51.21 C ATOM 1608 C LEU B 40 2.217 6.437 7.206 1.00 62.33 C ATOM 1609 O LEU B 40 2.011 5.223 7.151 1.00 52.51 O ATOM 1610 CB LEU B 40 1.001 7.938 8.796 1.00 5.20 C ATOM 1611 CG LEU B 40 0.448 7.889 10.221 1.00 44.43 C ATOM 1612 CD1 LEU B 40 -0.802 8.747 10.337 1.00 32.34 C ATOM 1613 CD2 LEU B 40 0.153 6.453 10.628 1.00 73.02 C ATOM 0 H LEU B 40 3.206 9.044 8.571 1.00 33.32 H new ATOM 0 HA LEU B 40 2.414 6.409 9.334 1.00 51.21 H new ATOM 0 HB2 LEU B 40 1.175 8.981 8.531 1.00 5.20 H new ATOM 0 HB3 LEU B 40 0.236 7.560 8.118 1.00 5.20 H new ATOM 0 HG LEU B 40 1.202 8.289 10.899 1.00 44.43 H new ATOM 0 HD11 LEU B 40 -1.182 8.700 11.358 1.00 32.34 H new ATOM 0 HD12 LEU B 40 -0.559 9.780 10.087 1.00 32.34 H new ATOM 0 HD13 LEU B 40 -1.563 8.377 9.649 1.00 32.34 H new ATOM 0 HD21 LEU B 40 -0.240 6.436 11.645 1.00 73.02 H new ATOM 0 HD22 LEU B 40 -0.584 6.026 9.947 1.00 73.02 H new ATOM 0 HD23 LEU B 40 1.071 5.866 10.584 1.00 73.02 H new ATOM 1625 N CYS B 41 2.386 7.192 6.127 1.00 52.24 N ATOM 1626 CA CYS B 41 2.338 6.627 4.783 1.00 53.43 C ATOM 1627 C CYS B 41 3.608 5.841 4.478 1.00 1.14 C ATOM 1628 O CYS B 41 3.594 4.909 3.675 1.00 0.41 O ATOM 1629 CB CYS B 41 2.149 7.737 3.747 1.00 5.43 C ATOM 1630 SG CYS B 41 2.285 7.177 2.033 1.00 33.31 S ATOM 0 H CYS B 41 2.558 8.197 6.156 1.00 52.24 H new ATOM 0 HA CYS B 41 1.490 5.945 4.733 1.00 53.43 H new ATOM 0 HB2 CYS B 41 1.169 8.192 3.893 1.00 5.43 H new ATOM 0 HB3 CYS B 41 2.892 8.515 3.924 1.00 5.43 H new ATOM 0 HG CYS B 41 2.801 5.984 2.006 1.00 33.31 H new ATOM 1636 N GLU B 42 4.705 6.224 5.124 1.00 55.21 N ATOM 1637 CA GLU B 42 5.984 5.556 4.919 1.00 0.45 C ATOM 1638 C GLU B 42 5.857 4.054 5.153 1.00 30.32 C ATOM 1639 O GLU B 42 6.625 3.263 4.608 1.00 5.42 O ATOM 1640 CB GLU B 42 7.045 6.140 5.855 1.00 41.42 C ATOM 1641 CG GLU B 42 7.664 7.430 5.343 1.00 51.13 C ATOM 1642 CD GLU B 42 8.815 7.186 4.387 1.00 24.40 C ATOM 1643 OE1 GLU B 42 9.758 6.459 4.767 1.00 62.12 O ATOM 1644 OE2 GLU B 42 8.775 7.720 3.259 1.00 23.21 O ATOM 0 H GLU B 42 4.733 6.993 5.793 1.00 55.21 H new ATOM 0 HA GLU B 42 6.289 5.721 3.886 1.00 0.45 H new ATOM 0 HB2 GLU B 42 6.595 6.325 6.830 1.00 41.42 H new ATOM 0 HB3 GLU B 42 7.833 5.402 6.002 1.00 41.42 H new ATOM 0 HG2 GLU B 42 6.899 8.021 4.841 1.00 51.13 H new ATOM 0 HG3 GLU B 42 8.018 8.019 6.189 1.00 51.13 H new ATOM 1652 N GLU B 43 4.880 3.668 5.969 1.00 11.14 N ATOM 1653 CA GLU B 43 4.652 2.261 6.276 1.00 45.10 C ATOM 1654 C GLU B 43 4.454 1.450 4.998 1.00 12.35 C ATOM 1655 O GLU B 43 4.843 0.285 4.923 1.00 35.12 O ATOM 1656 CB GLU B 43 3.433 2.106 7.187 1.00 21.12 C ATOM 1657 CG GLU B 43 3.536 2.896 8.481 1.00 22.45 C ATOM 1658 CD GLU B 43 3.884 2.023 9.671 1.00 12.14 C ATOM 1659 OE1 GLU B 43 3.517 2.395 10.806 1.00 21.22 O ATOM 1660 OE2 GLU B 43 4.525 0.971 9.469 1.00 30.13 O ATOM 0 H GLU B 43 4.234 4.310 6.429 1.00 11.14 H new ATOM 0 HA GLU B 43 5.533 1.881 6.793 1.00 45.10 H new ATOM 0 HB2 GLU B 43 2.542 2.426 6.646 1.00 21.12 H new ATOM 0 HB3 GLU B 43 3.300 1.051 7.425 1.00 21.12 H new ATOM 0 HG2 GLU B 43 4.294 3.671 8.370 1.00 22.45 H new ATOM 0 HG3 GLU B 43 2.589 3.401 8.670 1.00 22.45 H new ATOM 1668 N ALA B 44 3.845 2.076 3.997 1.00 11.01 N ATOM 1669 CA ALA B 44 3.595 1.415 2.722 1.00 13.44 C ATOM 1670 C ALA B 44 4.867 0.778 2.175 1.00 4.24 C ATOM 1671 O ALA B 44 4.847 -0.351 1.687 1.00 25.44 O ATOM 1672 CB ALA B 44 3.024 2.405 1.717 1.00 20.42 C ATOM 0 H ALA B 44 3.515 3.040 4.044 1.00 11.01 H new ATOM 0 HA ALA B 44 2.866 0.622 2.889 1.00 13.44 H new ATOM 0 HB1 ALA B 44 2.842 1.898 0.770 1.00 20.42 H new ATOM 0 HB2 ALA B 44 2.086 2.810 2.098 1.00 20.42 H new ATOM 0 HB3 ALA B 44 3.734 3.218 1.563 1.00 20.42 H new ATOM 1678 N ALA B 45 5.973 1.511 2.260 1.00 62.45 N ATOM 1679 CA ALA B 45 7.256 1.015 1.774 1.00 55.30 C ATOM 1680 C ALA B 45 7.843 -0.018 2.730 1.00 43.13 C ATOM 1681 O ALA B 45 8.668 -0.843 2.338 1.00 62.35 O ATOM 1682 CB ALA B 45 8.228 2.170 1.581 1.00 51.44 C ATOM 0 H ALA B 45 6.007 2.449 2.660 1.00 62.45 H new ATOM 0 HA ALA B 45 7.090 0.529 0.813 1.00 55.30 H new ATOM 0 HB1 ALA B 45 9.182 1.786 1.218 1.00 51.44 H new ATOM 0 HB2 ALA B 45 7.819 2.872 0.854 1.00 51.44 H new ATOM 0 HB3 ALA B 45 8.380 2.680 2.532 1.00 51.44 H new ATOM 1688 N LYS B 46 7.413 0.033 3.986 1.00 35.40 N ATOM 1689 CA LYS B 46 7.894 -0.900 4.998 1.00 42.44 C ATOM 1690 C LYS B 46 7.224 -2.261 4.848 1.00 50.34 C ATOM 1691 O LYS B 46 7.894 -3.294 4.808 1.00 55.31 O ATOM 1692 CB LYS B 46 7.633 -0.343 6.399 1.00 53.31 C ATOM 1693 CG LYS B 46 8.899 -0.090 7.200 1.00 23.42 C ATOM 1694 CD LYS B 46 8.635 0.813 8.393 1.00 71.25 C ATOM 1695 CE LYS B 46 8.586 2.277 7.983 1.00 12.15 C ATOM 1696 NZ LYS B 46 9.518 3.110 8.793 1.00 73.30 N ATOM 0 H LYS B 46 6.732 0.711 4.328 1.00 35.40 H new ATOM 0 HA LYS B 46 8.967 -1.027 4.857 1.00 42.44 H new ATOM 0 HB2 LYS B 46 7.076 0.590 6.312 1.00 53.31 H new ATOM 0 HB3 LYS B 46 7.001 -1.042 6.946 1.00 53.31 H new ATOM 0 HG2 LYS B 46 9.308 -1.040 7.545 1.00 23.42 H new ATOM 0 HG3 LYS B 46 9.652 0.366 6.557 1.00 23.42 H new ATOM 0 HD2 LYS B 46 7.691 0.533 8.861 1.00 71.25 H new ATOM 0 HD3 LYS B 46 9.416 0.669 9.140 1.00 71.25 H new ATOM 0 HE2 LYS B 46 8.842 2.368 6.927 1.00 12.15 H new ATOM 0 HE3 LYS B 46 7.569 2.653 8.098 1.00 12.15 H new ATOM 0 HZ1 LYS B 46 9.456 4.101 8.484 1.00 73.30 H new ATOM 0 HZ2 LYS B 46 9.259 3.044 9.798 1.00 73.30 H new ATOM 0 HZ3 LYS B 46 10.491 2.768 8.664 1.00 73.30 H new ATOM 1710 N LYS B 47 5.898 -2.256 4.762 1.00 4.43 N ATOM 1711 CA LYS B 47 5.136 -3.491 4.612 1.00 15.34 C ATOM 1712 C LYS B 47 5.341 -4.092 3.226 1.00 12.00 C ATOM 1713 O LYS B 47 5.716 -5.257 3.094 1.00 40.42 O ATOM 1714 CB LYS B 47 3.647 -3.226 4.851 1.00 22.15 C ATOM 1715 CG LYS B 47 3.331 -2.758 6.260 1.00 22.24 C ATOM 1716 CD LYS B 47 3.682 -3.817 7.292 1.00 12.44 C ATOM 1717 CE LYS B 47 5.035 -3.544 7.932 1.00 33.53 C ATOM 1718 NZ LYS B 47 5.513 -4.704 8.733 1.00 20.32 N ATOM 0 H LYS B 47 5.328 -1.410 4.794 1.00 4.43 H new ATOM 0 HA LYS B 47 5.496 -4.204 5.354 1.00 15.34 H new ATOM 0 HB2 LYS B 47 3.302 -2.474 4.141 1.00 22.15 H new ATOM 0 HB3 LYS B 47 3.087 -4.138 4.646 1.00 22.15 H new ATOM 0 HG2 LYS B 47 3.885 -1.844 6.473 1.00 22.24 H new ATOM 0 HG3 LYS B 47 2.271 -2.514 6.334 1.00 22.24 H new ATOM 0 HD2 LYS B 47 2.912 -3.844 8.063 1.00 12.44 H new ATOM 0 HD3 LYS B 47 3.694 -4.799 6.818 1.00 12.44 H new ATOM 0 HE2 LYS B 47 5.764 -3.314 7.155 1.00 33.53 H new ATOM 0 HE3 LYS B 47 4.963 -2.665 8.573 1.00 33.53 H new ATOM 0 HZ1 LYS B 47 6.438 -4.479 9.153 1.00 20.32 H new ATOM 0 HZ2 LYS B 47 4.830 -4.908 9.490 1.00 20.32 H new ATOM 0 HZ3 LYS B 47 5.606 -5.537 8.117 1.00 20.32 H new ATOM 1732 N ALA B 48 5.094 -3.290 2.196 1.00 55.00 N ATOM 1733 CA ALA B 48 5.255 -3.743 0.820 1.00 53.44 C ATOM 1734 C ALA B 48 6.634 -4.357 0.602 1.00 62.41 C ATOM 1735 O ALA B 48 6.803 -5.243 -0.235 1.00 75.32 O ATOM 1736 CB ALA B 48 5.031 -2.588 -0.145 1.00 42.11 C ATOM 0 H ALA B 48 4.782 -2.323 2.288 1.00 55.00 H new ATOM 0 HA ALA B 48 4.508 -4.513 0.627 1.00 53.44 H new ATOM 0 HB1 ALA B 48 5.154 -2.940 -1.169 1.00 42.11 H new ATOM 0 HB2 ALA B 48 4.022 -2.196 -0.015 1.00 42.11 H new ATOM 0 HB3 ALA B 48 5.756 -1.799 0.057 1.00 42.11 H new ATOM 1742 N GLU B 49 7.615 -3.881 1.361 1.00 24.32 N ATOM 1743 CA GLU B 49 8.980 -4.384 1.248 1.00 22.22 C ATOM 1744 C GLU B 49 9.119 -5.738 1.939 1.00 50.42 C ATOM 1745 O GLU B 49 9.669 -6.681 1.372 1.00 62.15 O ATOM 1746 CB GLU B 49 9.967 -3.385 1.856 1.00 25.10 C ATOM 1747 CG GLU B 49 11.398 -3.895 1.902 1.00 30.33 C ATOM 1748 CD GLU B 49 12.419 -2.784 1.748 1.00 35.21 C ATOM 1749 OE1 GLU B 49 12.043 -1.606 1.924 1.00 23.14 O ATOM 1750 OE2 GLU B 49 13.591 -3.092 1.452 1.00 63.30 O ATOM 0 H GLU B 49 7.491 -3.149 2.060 1.00 24.32 H new ATOM 0 HA GLU B 49 9.208 -4.510 0.190 1.00 22.22 H new ATOM 0 HB2 GLU B 49 9.938 -2.461 1.279 1.00 25.10 H new ATOM 0 HB3 GLU B 49 9.645 -3.139 2.868 1.00 25.10 H new ATOM 0 HG2 GLU B 49 11.566 -4.409 2.848 1.00 30.33 H new ATOM 0 HG3 GLU B 49 11.544 -4.629 1.110 1.00 30.33 H new ATOM 1758 N GLU B 50 8.617 -5.823 3.167 1.00 1.12 N ATOM 1759 CA GLU B 50 8.687 -7.060 3.935 1.00 21.34 C ATOM 1760 C GLU B 50 8.095 -8.225 3.147 1.00 71.13 C ATOM 1761 O GLU B 50 8.619 -9.339 3.175 1.00 33.32 O ATOM 1762 CB GLU B 50 7.948 -6.904 5.265 1.00 10.53 C ATOM 1763 CG GLU B 50 8.691 -7.500 6.449 1.00 60.31 C ATOM 1764 CD GLU B 50 9.349 -6.446 7.317 1.00 63.21 C ATOM 1765 OE1 GLU B 50 8.675 -5.924 8.230 1.00 71.02 O ATOM 1766 OE2 GLU B 50 10.538 -6.143 7.084 1.00 13.33 O ATOM 0 H GLU B 50 8.158 -5.051 3.650 1.00 1.12 H new ATOM 0 HA GLU B 50 9.737 -7.274 4.133 1.00 21.34 H new ATOM 0 HB2 GLU B 50 7.774 -5.844 5.452 1.00 10.53 H new ATOM 0 HB3 GLU B 50 6.970 -7.378 5.185 1.00 10.53 H new ATOM 0 HG2 GLU B 50 7.995 -8.081 7.054 1.00 60.31 H new ATOM 0 HG3 GLU B 50 9.451 -8.192 6.085 1.00 60.31 H new ATOM 1774 N LEU B 51 7.000 -7.959 2.443 1.00 21.55 N ATOM 1775 CA LEU B 51 6.335 -8.985 1.646 1.00 34.14 C ATOM 1776 C LEU B 51 7.152 -9.325 0.405 1.00 24.12 C ATOM 1777 O LEU B 51 7.303 -10.494 0.050 1.00 4.25 O ATOM 1778 CB LEU B 51 4.938 -8.514 1.238 1.00 34.41 C ATOM 1779 CG LEU B 51 3.849 -8.636 2.304 1.00 33.32 C ATOM 1780 CD1 LEU B 51 2.795 -7.556 2.117 1.00 35.21 C ATOM 1781 CD2 LEU B 51 3.214 -10.018 2.261 1.00 34.32 C ATOM 0 H LEU B 51 6.554 -7.042 2.408 1.00 21.55 H new ATOM 0 HA LEU B 51 6.246 -9.884 2.256 1.00 34.14 H new ATOM 0 HB2 LEU B 51 5.004 -7.470 0.933 1.00 34.41 H new ATOM 0 HB3 LEU B 51 4.626 -9.083 0.362 1.00 34.41 H new ATOM 0 HG LEU B 51 4.308 -8.500 3.283 1.00 33.32 H new ATOM 0 HD11 LEU B 51 2.028 -7.659 2.885 1.00 35.21 H new ATOM 0 HD12 LEU B 51 3.261 -6.574 2.199 1.00 35.21 H new ATOM 0 HD13 LEU B 51 2.339 -7.659 1.133 1.00 35.21 H new ATOM 0 HD21 LEU B 51 2.441 -10.087 3.026 1.00 34.32 H new ATOM 0 HD22 LEU B 51 2.769 -10.184 1.280 1.00 34.32 H new ATOM 0 HD23 LEU B 51 3.976 -10.775 2.446 1.00 34.32 H new ATOM 1793 N PHE B 52 7.681 -8.297 -0.249 1.00 32.41 N ATOM 1794 CA PHE B 52 8.486 -8.487 -1.450 1.00 60.52 C ATOM 1795 C PHE B 52 9.660 -9.423 -1.177 1.00 33.53 C ATOM 1796 O PHE B 52 10.176 -10.074 -2.085 1.00 32.12 O ATOM 1797 CB PHE B 52 9.000 -7.141 -1.964 1.00 42.20 C ATOM 1798 CG PHE B 52 9.991 -7.267 -3.086 1.00 2.50 C ATOM 1799 CD1 PHE B 52 9.586 -7.692 -4.340 1.00 61.44 C ATOM 1800 CD2 PHE B 52 11.327 -6.958 -2.887 1.00 13.14 C ATOM 1801 CE1 PHE B 52 10.495 -7.809 -5.375 1.00 2.41 C ATOM 1802 CE2 PHE B 52 12.241 -7.073 -3.917 1.00 53.03 C ATOM 1803 CZ PHE B 52 11.825 -7.498 -5.162 1.00 73.54 C ATOM 0 H PHE B 52 7.567 -7.323 0.032 1.00 32.41 H new ATOM 0 HA PHE B 52 7.853 -8.941 -2.212 1.00 60.52 H new ATOM 0 HB2 PHE B 52 8.154 -6.543 -2.303 1.00 42.20 H new ATOM 0 HB3 PHE B 52 9.463 -6.599 -1.140 1.00 42.20 H new ATOM 0 HD1 PHE B 52 8.548 -7.935 -4.512 1.00 61.44 H new ATOM 0 HD2 PHE B 52 11.658 -6.623 -1.915 1.00 13.14 H new ATOM 0 HE1 PHE B 52 10.167 -8.143 -6.348 1.00 2.41 H new ATOM 0 HE2 PHE B 52 13.280 -6.831 -3.748 1.00 53.03 H new ATOM 0 HZ PHE B 52 12.537 -7.588 -5.969 1.00 73.54 H new ATOM 1813 N LYS B 53 10.077 -9.485 0.083 1.00 14.24 N ATOM 1814 CA LYS B 53 11.189 -10.339 0.481 1.00 64.13 C ATOM 1815 C LYS B 53 10.815 -11.813 0.352 1.00 3.30 C ATOM 1816 O LYS B 53 11.568 -12.608 -0.213 1.00 0.12 O ATOM 1817 CB LYS B 53 11.607 -10.032 1.920 1.00 2.24 C ATOM 1818 CG LYS B 53 12.574 -11.049 2.503 1.00 72.24 C ATOM 1819 CD LYS B 53 11.841 -12.147 3.257 1.00 41.05 C ATOM 1820 CE LYS B 53 12.253 -12.189 4.719 1.00 1.04 C ATOM 1821 NZ LYS B 53 11.889 -10.935 5.434 1.00 12.43 N ATOM 0 H LYS B 53 9.661 -8.953 0.847 1.00 14.24 H new ATOM 0 HA LYS B 53 12.028 -10.135 -0.185 1.00 64.13 H new ATOM 0 HB2 LYS B 53 12.068 -9.045 1.953 1.00 2.24 H new ATOM 0 HB3 LYS B 53 10.716 -9.989 2.547 1.00 2.24 H new ATOM 0 HG2 LYS B 53 13.167 -11.490 1.702 1.00 72.24 H new ATOM 0 HG3 LYS B 53 13.270 -10.547 3.175 1.00 72.24 H new ATOM 0 HD2 LYS B 53 10.766 -11.984 3.185 1.00 41.05 H new ATOM 0 HD3 LYS B 53 12.049 -13.111 2.792 1.00 41.05 H new ATOM 0 HE2 LYS B 53 11.774 -13.038 5.207 1.00 1.04 H new ATOM 0 HE3 LYS B 53 13.329 -12.347 4.789 1.00 1.04 H new ATOM 0 HZ1 LYS B 53 11.916 -11.100 6.460 1.00 12.43 H new ATOM 0 HZ2 LYS B 53 12.566 -10.185 5.186 1.00 12.43 H new ATOM 0 HZ3 LYS B 53 10.931 -10.642 5.155 1.00 12.43 H new ATOM 1835 N LEU B 54 9.649 -12.170 0.877 1.00 24.43 N ATOM 1836 CA LEU B 54 9.174 -13.549 0.819 1.00 5.34 C ATOM 1837 C LEU B 54 8.737 -13.915 -0.595 1.00 63.41 C ATOM 1838 O LEU B 54 8.728 -15.088 -0.968 1.00 12.02 O ATOM 1839 CB LEU B 54 8.012 -13.749 1.794 1.00 65.44 C ATOM 1840 CG LEU B 54 8.217 -14.812 2.874 1.00 50.44 C ATOM 1841 CD1 LEU B 54 9.383 -14.438 3.776 1.00 71.23 C ATOM 1842 CD2 LEU B 54 6.946 -14.996 3.689 1.00 0.31 C ATOM 0 H LEU B 54 9.015 -11.525 1.348 1.00 24.43 H new ATOM 0 HA LEU B 54 9.997 -14.204 1.105 1.00 5.34 H new ATOM 0 HB2 LEU B 54 7.807 -12.797 2.284 1.00 65.44 H new ATOM 0 HB3 LEU B 54 7.123 -14.010 1.220 1.00 65.44 H new ATOM 0 HG LEU B 54 8.451 -15.758 2.386 1.00 50.44 H new ATOM 0 HD11 LEU B 54 9.514 -15.206 4.538 1.00 71.23 H new ATOM 0 HD12 LEU B 54 10.293 -14.359 3.181 1.00 71.23 H new ATOM 0 HD13 LEU B 54 9.179 -13.481 4.256 1.00 71.23 H new ATOM 0 HD21 LEU B 54 7.110 -15.756 4.453 1.00 0.31 H new ATOM 0 HD22 LEU B 54 6.680 -14.053 4.167 1.00 0.31 H new ATOM 0 HD23 LEU B 54 6.135 -15.311 3.032 1.00 0.31 H new ATOM 1854 N ALA B 55 8.378 -12.904 -1.379 1.00 43.52 N ATOM 1855 CA ALA B 55 7.945 -13.120 -2.754 1.00 52.43 C ATOM 1856 C ALA B 55 9.002 -13.874 -3.552 1.00 4.34 C ATOM 1857 O ALA B 55 8.692 -14.540 -4.539 1.00 35.55 O ATOM 1858 CB ALA B 55 7.627 -11.789 -3.422 1.00 21.55 C ATOM 0 H ALA B 55 8.378 -11.927 -1.085 1.00 43.52 H new ATOM 0 HA ALA B 55 7.042 -13.730 -2.732 1.00 52.43 H new ATOM 0 HB1 ALA B 55 7.305 -11.965 -4.448 1.00 21.55 H new ATOM 0 HB2 ALA B 55 6.830 -11.287 -2.873 1.00 21.55 H new ATOM 0 HB3 ALA B 55 8.518 -11.161 -3.424 1.00 21.55 H new ATOM 1864 N GLU B 56 10.254 -13.765 -3.117 1.00 4.21 N ATOM 1865 CA GLU B 56 11.358 -14.437 -3.793 1.00 71.22 C ATOM 1866 C GLU B 56 11.390 -15.921 -3.441 1.00 73.21 C ATOM 1867 O GLU B 56 11.886 -16.742 -4.211 1.00 50.42 O ATOM 1868 CB GLU B 56 12.690 -13.784 -3.415 1.00 72.25 C ATOM 1869 CG GLU B 56 12.606 -12.275 -3.261 1.00 74.02 C ATOM 1870 CD GLU B 56 13.965 -11.631 -3.074 1.00 5.22 C ATOM 1871 OE1 GLU B 56 14.611 -11.899 -2.039 1.00 72.35 O ATOM 1872 OE2 GLU B 56 14.384 -10.858 -3.962 1.00 61.30 O ATOM 0 H GLU B 56 10.529 -13.219 -2.301 1.00 4.21 H new ATOM 0 HA GLU B 56 11.205 -14.339 -4.868 1.00 71.22 H new ATOM 0 HB2 GLU B 56 13.045 -14.217 -2.480 1.00 72.25 H new ATOM 0 HB3 GLU B 56 13.431 -14.022 -4.178 1.00 72.25 H new ATOM 0 HG2 GLU B 56 12.125 -11.850 -4.142 1.00 74.02 H new ATOM 0 HG3 GLU B 56 11.974 -12.036 -2.406 1.00 74.02 H new ATOM 1880 N GLU B 57 10.855 -16.258 -2.271 1.00 13.20 N ATOM 1881 CA GLU B 57 10.823 -17.642 -1.816 1.00 42.00 C ATOM 1882 C GLU B 57 9.933 -18.491 -2.719 1.00 61.22 C ATOM 1883 O GLU B 57 10.333 -19.564 -3.171 1.00 63.04 O ATOM 1884 CB GLU B 57 10.320 -17.717 -0.372 1.00 65.15 C ATOM 1885 CG GLU B 57 10.321 -19.124 0.201 1.00 43.41 C ATOM 1886 CD GLU B 57 11.715 -19.718 0.285 1.00 31.31 C ATOM 1887 OE1 GLU B 57 11.923 -20.819 -0.267 1.00 42.11 O ATOM 1888 OE2 GLU B 57 12.595 -19.084 0.904 1.00 54.15 O ATOM 0 H GLU B 57 10.438 -15.591 -1.622 1.00 13.20 H new ATOM 0 HA GLU B 57 11.839 -18.035 -1.861 1.00 42.00 H new ATOM 0 HB2 GLU B 57 10.943 -17.078 0.254 1.00 65.15 H new ATOM 0 HB3 GLU B 57 9.307 -17.317 -0.328 1.00 65.15 H new ATOM 0 HG2 GLU B 57 9.876 -19.108 1.196 1.00 43.41 H new ATOM 0 HG3 GLU B 57 9.693 -19.765 -0.418 1.00 43.41 H new ATOM 1896 N ARG B 58 8.724 -18.003 -2.978 1.00 23.13 N ATOM 1897 CA ARG B 58 7.777 -18.717 -3.825 1.00 72.21 C ATOM 1898 C ARG B 58 8.118 -18.527 -5.301 1.00 33.23 C ATOM 1899 O ARG B 58 7.630 -19.262 -6.161 1.00 32.31 O ATOM 1900 CB ARG B 58 6.352 -18.233 -3.554 1.00 12.24 C ATOM 1901 CG ARG B 58 6.230 -16.721 -3.455 1.00 51.12 C ATOM 1902 CD ARG B 58 5.842 -16.283 -2.052 1.00 20.35 C ATOM 1903 NE ARG B 58 6.593 -17.003 -1.026 1.00 62.02 N ATOM 1904 CZ ARG B 58 6.441 -16.797 0.277 1.00 33.12 C ATOM 1905 NH1 ARG B 58 5.568 -15.898 0.712 1.00 35.12 N ATOM 1906 NH2 ARG B 58 7.161 -17.491 1.149 1.00 74.22 N ATOM 0 H ARG B 58 8.378 -17.116 -2.613 1.00 23.13 H new ATOM 0 HA ARG B 58 7.844 -19.779 -3.587 1.00 72.21 H new ATOM 0 HB2 ARG B 58 5.699 -18.590 -4.350 1.00 12.24 H new ATOM 0 HB3 ARG B 58 5.996 -18.679 -2.625 1.00 12.24 H new ATOM 0 HG2 ARG B 58 7.178 -16.260 -3.732 1.00 51.12 H new ATOM 0 HG3 ARG B 58 5.484 -16.368 -4.167 1.00 51.12 H new ATOM 0 HD2 ARG B 58 6.017 -15.212 -1.945 1.00 20.35 H new ATOM 0 HD3 ARG B 58 4.775 -16.448 -1.903 1.00 20.35 H new ATOM 0 HE ARG B 58 7.271 -17.702 -1.327 1.00 62.02 H new ATOM 0 HH11 ARG B 58 5.012 -15.363 0.045 1.00 35.12 H new ATOM 0 HH12 ARG B 58 5.453 -15.742 1.713 1.00 35.12 H new ATOM 0 HH21 ARG B 58 7.833 -18.184 0.819 1.00 74.22 H new ATOM 0 HH22 ARG B 58 7.043 -17.331 2.149 1.00 74.22 H new ATOM 1920 N LEU B 59 8.957 -17.538 -5.586 1.00 62.40 N ATOM 1921 CA LEU B 59 9.364 -17.251 -6.958 1.00 30.52 C ATOM 1922 C LEU B 59 10.645 -17.998 -7.314 1.00 20.41 C ATOM 1923 O LEU B 59 10.611 -19.014 -8.010 1.00 12.32 O ATOM 1924 CB LEU B 59 9.568 -15.747 -7.146 1.00 23.54 C ATOM 1925 CG LEU B 59 10.109 -15.309 -8.507 1.00 53.41 C ATOM 1926 CD1 LEU B 59 9.286 -15.917 -9.631 1.00 34.23 C ATOM 1927 CD2 LEU B 59 10.120 -13.791 -8.612 1.00 51.32 C ATOM 0 H LEU B 59 9.369 -16.921 -4.886 1.00 62.40 H new ATOM 0 HA LEU B 59 8.571 -17.590 -7.624 1.00 30.52 H new ATOM 0 HB2 LEU B 59 8.614 -15.247 -6.979 1.00 23.54 H new ATOM 0 HB3 LEU B 59 10.252 -15.394 -6.375 1.00 23.54 H new ATOM 0 HG LEU B 59 11.134 -15.668 -8.601 1.00 53.41 H new ATOM 0 HD11 LEU B 59 9.687 -15.593 -10.592 1.00 34.23 H new ATOM 0 HD12 LEU B 59 9.330 -17.004 -9.567 1.00 34.23 H new ATOM 0 HD13 LEU B 59 8.250 -15.590 -9.541 1.00 34.23 H new ATOM 0 HD21 LEU B 59 10.508 -13.497 -9.587 1.00 51.32 H new ATOM 0 HD22 LEU B 59 9.105 -13.411 -8.495 1.00 51.32 H new ATOM 0 HD23 LEU B 59 10.755 -13.377 -7.829 1.00 51.32 H new ATOM 1939 N LYS B 60 11.774 -17.491 -6.831 1.00 15.04 N ATOM 1940 CA LYS B 60 13.067 -18.111 -7.094 1.00 72.13 C ATOM 1941 C LYS B 60 13.547 -18.902 -5.883 1.00 20.20 C ATOM 1942 O LYS B 60 12.832 -19.031 -4.888 1.00 1.00 O ATOM 1943 CB LYS B 60 14.101 -17.045 -7.464 1.00 13.22 C ATOM 1944 CG LYS B 60 14.126 -15.864 -6.507 1.00 75.43 C ATOM 1945 CD LYS B 60 13.658 -14.588 -7.187 1.00 33.15 C ATOM 1946 CE LYS B 60 14.828 -13.677 -7.526 1.00 50.22 C ATOM 1947 NZ LYS B 60 14.433 -12.595 -8.470 1.00 24.02 N ATOM 0 H LYS B 60 11.820 -16.651 -6.254 1.00 15.04 H new ATOM 0 HA LYS B 60 12.949 -18.799 -7.931 1.00 72.13 H new ATOM 0 HB2 LYS B 60 15.090 -17.503 -7.489 1.00 13.22 H new ATOM 0 HB3 LYS B 60 13.892 -16.682 -8.470 1.00 13.22 H new ATOM 0 HG2 LYS B 60 13.488 -16.076 -5.649 1.00 75.43 H new ATOM 0 HG3 LYS B 60 15.137 -15.725 -6.125 1.00 75.43 H new ATOM 0 HD2 LYS B 60 13.114 -14.838 -8.098 1.00 33.15 H new ATOM 0 HD3 LYS B 60 12.962 -14.061 -6.535 1.00 33.15 H new ATOM 0 HE2 LYS B 60 15.221 -13.235 -6.611 1.00 50.22 H new ATOM 0 HE3 LYS B 60 15.632 -14.267 -7.966 1.00 50.22 H new ATOM 0 HZ1 LYS B 60 15.258 -11.996 -8.676 1.00 24.02 H new ATOM 0 HZ2 LYS B 60 14.082 -13.016 -9.354 1.00 24.02 H new ATOM 0 HZ3 LYS B 60 13.683 -12.016 -8.040 1.00 24.02 H new ATOM 1961 N LYS B 61 14.763 -19.431 -5.971 1.00 22.12 N ATOM 1962 CA LYS B 61 15.341 -20.208 -4.882 1.00 0.44 C ATOM 1963 C LYS B 61 16.611 -19.546 -4.355 1.00 4.11 C ATOM 1964 O LYS B 61 17.710 -19.813 -4.843 1.00 2.23 O ATOM 1965 CB LYS B 61 15.653 -21.631 -5.351 1.00 33.10 C ATOM 1966 CG LYS B 61 15.782 -22.632 -4.216 1.00 52.02 C ATOM 1967 CD LYS B 61 16.575 -23.857 -4.640 1.00 50.34 C ATOM 1968 CE LYS B 61 16.212 -25.073 -3.803 1.00 64.34 C ATOM 1969 NZ LYS B 61 16.607 -26.344 -4.471 1.00 3.22 N ATOM 0 H LYS B 61 15.368 -19.335 -6.787 1.00 22.12 H new ATOM 0 HA LYS B 61 14.611 -20.250 -4.074 1.00 0.44 H new ATOM 0 HB2 LYS B 61 14.866 -21.962 -6.028 1.00 33.10 H new ATOM 0 HB3 LYS B 61 16.581 -21.621 -5.922 1.00 33.10 H new ATOM 0 HG2 LYS B 61 16.271 -22.158 -3.365 1.00 52.02 H new ATOM 0 HG3 LYS B 61 14.790 -22.937 -3.884 1.00 52.02 H new ATOM 0 HD2 LYS B 61 16.385 -24.068 -5.692 1.00 50.34 H new ATOM 0 HD3 LYS B 61 17.641 -23.653 -4.543 1.00 50.34 H new ATOM 0 HE2 LYS B 61 16.703 -25.005 -2.832 1.00 64.34 H new ATOM 0 HE3 LYS B 61 15.138 -25.079 -3.618 1.00 64.34 H new ATOM 0 HZ1 LYS B 61 16.343 -27.150 -3.869 1.00 3.22 H new ATOM 0 HZ2 LYS B 61 16.119 -26.421 -5.386 1.00 3.22 H new ATOM 0 HZ3 LYS B 61 17.635 -26.350 -4.625 1.00 3.22 H new ATOM 1983 N LEU B 62 16.453 -18.683 -3.358 1.00 33.24 N ATOM 1984 CA LEU B 62 17.587 -17.984 -2.764 1.00 34.21 C ATOM 1985 C LEU B 62 18.549 -18.967 -2.105 1.00 32.22 C ATOM 1986 O LEU B 62 18.096 -19.947 -1.514 1.00 5.42 O ATOM 1987 CB LEU B 62 17.099 -16.962 -1.735 1.00 42.30 C ATOM 1988 CG LEU B 62 16.147 -15.886 -2.257 1.00 50.12 C ATOM 1989 CD1 LEU B 62 15.041 -15.617 -1.248 1.00 44.34 C ATOM 1990 CD2 LEU B 62 16.909 -14.605 -2.570 1.00 25.25 C ATOM 0 H LEU B 62 15.550 -18.450 -2.944 1.00 33.24 H new ATOM 0 HA LEU B 62 18.119 -17.463 -3.560 1.00 34.21 H new ATOM 0 HB2 LEU B 62 16.601 -17.499 -0.928 1.00 42.30 H new ATOM 0 HB3 LEU B 62 17.969 -16.469 -1.301 1.00 42.30 H new ATOM 0 HG LEU B 62 15.691 -16.248 -3.178 1.00 50.12 H new ATOM 0 HD11 LEU B 62 14.373 -14.848 -1.637 1.00 44.34 H new ATOM 0 HD12 LEU B 62 14.477 -16.533 -1.073 1.00 44.34 H new ATOM 0 HD13 LEU B 62 15.479 -15.276 -0.310 1.00 44.34 H new ATOM 0 HD21 LEU B 62 16.215 -13.850 -2.940 1.00 25.25 H new ATOM 0 HD22 LEU B 62 17.394 -14.239 -1.665 1.00 25.25 H new ATOM 0 HD23 LEU B 62 17.664 -14.807 -3.329 1.00 25.25 H new