USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=9 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+ -162:sc= -0.0154 (180deg=-0.157) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -163:sc= -2.08 (180deg=-3.53!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -33:sc= 1.01 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.183 (180deg=-0.763) 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+ -169:sc= -1.31 (180deg=-1.63) USER MOD Single : B 2 LYS NZ :NH3+ -162:sc=-0.00981 (180deg=-0.116) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -124:sc= -1.91 (180deg=-5.21!) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -24:sc= -0.223 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 125:sc= -0.148 (180deg=-0.744) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.178 20.358 3.709 1.00 62.40 N ATOM 19 CA LYS A 2 -13.138 20.268 2.692 1.00 30.24 C ATOM 20 C LYS A 2 -13.207 21.454 1.736 1.00 33.41 C ATOM 21 O LYS A 2 -14.292 21.895 1.355 1.00 11.22 O ATOM 22 CB LYS A 2 -13.271 18.959 1.910 1.00 42.42 C ATOM 23 CG LYS A 2 -14.422 18.959 0.919 1.00 44.13 C ATOM 24 CD LYS A 2 -14.906 17.548 0.627 1.00 5.44 C ATOM 25 CE LYS A 2 -16.424 17.476 0.592 1.00 62.14 C ATOM 26 NZ LYS A 2 -17.020 17.669 1.944 1.00 71.12 N ATOM 0 HA LYS A 2 -12.171 20.286 3.195 1.00 30.24 H new ATOM 0 HB2 LYS A 2 -12.341 18.769 1.374 1.00 42.42 H new ATOM 0 HB3 LYS A 2 -13.407 18.137 2.613 1.00 42.42 H new ATOM 0 HG2 LYS A 2 -15.246 19.552 1.316 1.00 44.13 H new ATOM 0 HG3 LYS A 2 -14.105 19.435 -0.009 1.00 44.13 H new ATOM 0 HD2 LYS A 2 -14.503 17.214 -0.329 1.00 5.44 H new ATOM 0 HD3 LYS A 2 -14.526 16.867 1.388 1.00 5.44 H new ATOM 0 HE2 LYS A 2 -16.808 18.238 -0.086 1.00 62.14 H new ATOM 0 HE3 LYS A 2 -16.733 16.510 0.194 1.00 62.14 H new ATOM 0 HZ1 LYS A 2 -17.999 17.319 1.945 1.00 71.12 H new ATOM 0 HZ2 LYS A 2 -16.463 17.142 2.647 1.00 71.12 H new ATOM 0 HZ3 LYS A 2 -17.014 18.681 2.185 1.00 71.12 H new ATOM 40 N LYS A 3 -12.044 21.965 1.349 1.00 33.14 N ATOM 41 CA LYS A 3 -11.971 23.098 0.435 1.00 62.04 C ATOM 42 C LYS A 3 -11.221 22.723 -0.839 1.00 1.30 C ATOM 43 O LYS A 3 -11.492 23.262 -1.913 1.00 1.35 O ATOM 44 CB LYS A 3 -11.282 24.285 1.114 1.00 43.14 C ATOM 45 CG LYS A 3 -11.883 24.648 2.461 1.00 62.30 C ATOM 46 CD LYS A 3 -10.839 24.615 3.564 1.00 23.03 C ATOM 47 CE LYS A 3 -11.478 24.705 4.940 1.00 52.55 C ATOM 48 NZ LYS A 3 -11.029 25.915 5.683 1.00 52.31 N ATOM 0 H LYS A 3 -11.137 21.612 1.655 1.00 33.14 H new ATOM 0 HA LYS A 3 -12.989 23.381 0.167 1.00 62.04 H new ATOM 0 HB2 LYS A 3 -10.225 24.053 1.248 1.00 43.14 H new ATOM 0 HB3 LYS A 3 -11.337 25.152 0.455 1.00 43.14 H new ATOM 0 HG2 LYS A 3 -12.325 25.643 2.407 1.00 62.30 H new ATOM 0 HG3 LYS A 3 -12.688 23.954 2.700 1.00 62.30 H new ATOM 0 HD2 LYS A 3 -10.260 23.695 3.490 1.00 23.03 H new ATOM 0 HD3 LYS A 3 -10.142 25.442 3.431 1.00 23.03 H new ATOM 0 HE2 LYS A 3 -12.563 24.725 4.836 1.00 52.55 H new ATOM 0 HE3 LYS A 3 -11.229 23.813 5.515 1.00 52.55 H new ATOM 0 HZ1 LYS A 3 -11.487 25.939 6.616 1.00 52.31 H new ATOM 0 HZ2 LYS A 3 -9.997 25.884 5.805 1.00 52.31 H new ATOM 0 HZ3 LYS A 3 -11.289 26.768 5.147 1.00 52.31 H new ATOM 62 N LEU A 4 -10.280 21.795 -0.713 1.00 23.14 N ATOM 63 CA LEU A 4 -9.491 21.345 -1.856 1.00 43.40 C ATOM 64 C LEU A 4 -8.546 20.217 -1.455 1.00 2.31 C ATOM 65 O LEU A 4 -8.242 19.334 -2.258 1.00 72.13 O ATOM 66 CB LEU A 4 -8.692 22.511 -2.440 1.00 53.51 C ATOM 67 CG LEU A 4 -7.711 23.197 -1.487 1.00 42.14 C ATOM 68 CD1 LEU A 4 -6.342 23.328 -2.135 1.00 22.22 C ATOM 69 CD2 LEU A 4 -8.239 24.562 -1.071 1.00 11.43 C ATOM 0 H LEU A 4 -10.044 21.339 0.168 1.00 23.14 H new ATOM 0 HA LEU A 4 -10.178 20.967 -2.614 1.00 43.40 H new ATOM 0 HB2 LEU A 4 -8.135 22.147 -3.303 1.00 53.51 H new ATOM 0 HB3 LEU A 4 -9.395 23.259 -2.807 1.00 53.51 H new ATOM 0 HG LEU A 4 -7.610 22.581 -0.594 1.00 42.14 H new ATOM 0 HD11 LEU A 4 -5.657 23.818 -1.443 1.00 22.22 H new ATOM 0 HD12 LEU A 4 -5.960 22.337 -2.383 1.00 22.22 H new ATOM 0 HD13 LEU A 4 -6.425 23.923 -3.045 1.00 22.22 H new ATOM 0 HD21 LEU A 4 -7.529 25.036 -0.393 1.00 11.43 H new ATOM 0 HD22 LEU A 4 -8.369 25.187 -1.955 1.00 11.43 H new ATOM 0 HD23 LEU A 4 -9.198 24.443 -0.566 1.00 11.43 H new ATOM 81 N ARG A 5 -8.086 20.251 -0.209 1.00 13.41 N ATOM 82 CA ARG A 5 -7.176 19.231 0.299 1.00 42.13 C ATOM 83 C ARG A 5 -7.727 17.834 0.037 1.00 24.54 C ATOM 84 O ARG A 5 -6.970 16.872 -0.094 1.00 14.25 O ATOM 85 CB ARG A 5 -6.943 19.427 1.799 1.00 24.11 C ATOM 86 CG ARG A 5 -5.819 20.397 2.118 1.00 14.23 C ATOM 87 CD ARG A 5 -5.356 20.257 3.561 1.00 21.50 C ATOM 88 NE ARG A 5 -3.990 20.738 3.746 1.00 34.05 N ATOM 89 CZ ARG A 5 -3.431 20.923 4.937 1.00 64.21 C ATOM 90 NH1 ARG A 5 -4.117 20.667 6.042 1.00 44.13 N ATOM 91 NH2 ARG A 5 -2.183 21.363 5.024 1.00 14.42 N ATOM 0 H ARG A 5 -8.329 20.974 0.468 1.00 13.41 H new ATOM 0 HA ARG A 5 -6.226 19.332 -0.225 1.00 42.13 H new ATOM 0 HB2 ARG A 5 -7.864 19.788 2.257 1.00 24.11 H new ATOM 0 HB3 ARG A 5 -6.718 18.462 2.252 1.00 24.11 H new ATOM 0 HG2 ARG A 5 -4.980 20.217 1.446 1.00 14.23 H new ATOM 0 HG3 ARG A 5 -6.156 21.418 1.940 1.00 14.23 H new ATOM 0 HD2 ARG A 5 -6.028 20.815 4.213 1.00 21.50 H new ATOM 0 HD3 ARG A 5 -5.416 19.211 3.861 1.00 21.50 H new ATOM 0 HE ARG A 5 -3.434 20.943 2.916 1.00 34.05 H new ATOM 0 HH11 ARG A 5 -5.077 20.327 5.979 1.00 44.13 H new ATOM 0 HH12 ARG A 5 -3.685 20.810 6.955 1.00 44.13 H new ATOM 0 HH21 ARG A 5 -1.651 21.560 4.176 1.00 14.42 H new ATOM 0 HH22 ARG A 5 -1.755 21.505 5.939 1.00 14.42 H new ATOM 105 N GLU A 6 -9.050 17.728 -0.040 1.00 40.25 N ATOM 106 CA GLU A 6 -9.701 16.447 -0.285 1.00 4.13 C ATOM 107 C GLU A 6 -9.119 15.769 -1.522 1.00 1.13 C ATOM 108 O GLU A 6 -9.144 14.544 -1.641 1.00 72.34 O ATOM 109 CB GLU A 6 -11.209 16.640 -0.459 1.00 34.22 C ATOM 110 CG GLU A 6 -12.037 15.483 0.075 1.00 52.21 C ATOM 111 CD GLU A 6 -12.899 14.841 -0.993 1.00 65.14 C ATOM 112 OE1 GLU A 6 -13.094 13.609 -0.937 1.00 70.43 O ATOM 113 OE2 GLU A 6 -13.379 15.570 -1.887 1.00 74.25 O ATOM 0 H GLU A 6 -9.692 18.514 0.064 1.00 40.25 H new ATOM 0 HA GLU A 6 -9.521 15.807 0.579 1.00 4.13 H new ATOM 0 HB2 GLU A 6 -11.510 17.556 0.049 1.00 34.22 H new ATOM 0 HB3 GLU A 6 -11.430 16.775 -1.518 1.00 34.22 H new ATOM 0 HG2 GLU A 6 -11.372 14.731 0.500 1.00 52.21 H new ATOM 0 HG3 GLU A 6 -12.674 15.840 0.884 1.00 52.21 H new ATOM 121 N GLU A 7 -8.595 16.575 -2.441 1.00 50.13 N ATOM 122 CA GLU A 7 -8.008 16.053 -3.670 1.00 54.23 C ATOM 123 C GLU A 7 -6.960 14.988 -3.362 1.00 74.34 C ATOM 124 O GLU A 7 -6.821 14.009 -4.093 1.00 64.32 O ATOM 125 CB GLU A 7 -7.378 17.186 -4.481 1.00 11.42 C ATOM 126 CG GLU A 7 -8.372 18.249 -4.918 1.00 20.34 C ATOM 127 CD GLU A 7 -8.592 18.261 -6.418 1.00 22.45 C ATOM 128 OE1 GLU A 7 -7.915 19.049 -7.111 1.00 12.25 O ATOM 129 OE2 GLU A 7 -9.440 17.481 -6.900 1.00 0.32 O ATOM 0 H GLU A 7 -8.565 17.591 -2.358 1.00 50.13 H new ATOM 0 HA GLU A 7 -8.804 15.595 -4.257 1.00 54.23 H new ATOM 0 HB2 GLU A 7 -6.595 17.656 -3.885 1.00 11.42 H new ATOM 0 HB3 GLU A 7 -6.897 16.765 -5.364 1.00 11.42 H new ATOM 0 HG2 GLU A 7 -9.325 18.078 -4.416 1.00 20.34 H new ATOM 0 HG3 GLU A 7 -8.015 19.228 -4.599 1.00 20.34 H new ATOM 137 N ALA A 8 -6.224 15.189 -2.273 1.00 22.35 N ATOM 138 CA ALA A 8 -5.188 14.245 -1.868 1.00 51.14 C ATOM 139 C ALA A 8 -5.798 13.003 -1.229 1.00 72.31 C ATOM 140 O ALA A 8 -5.211 11.922 -1.266 1.00 15.32 O ATOM 141 CB ALA A 8 -4.215 14.911 -0.907 1.00 53.41 C ATOM 0 H ALA A 8 -6.325 15.995 -1.656 1.00 22.35 H new ATOM 0 HA ALA A 8 -4.645 13.934 -2.760 1.00 51.14 H new ATOM 0 HB1 ALA A 8 -3.447 14.196 -0.613 1.00 53.41 H new ATOM 0 HB2 ALA A 8 -3.747 15.765 -1.397 1.00 53.41 H new ATOM 0 HB3 ALA A 8 -4.753 15.251 -0.022 1.00 53.41 H new ATOM 147 N ALA A 9 -6.980 13.163 -0.641 1.00 43.31 N ATOM 148 CA ALA A 9 -7.670 12.054 0.005 1.00 12.25 C ATOM 149 C ALA A 9 -7.977 10.943 -0.993 1.00 1.13 C ATOM 150 O ALA A 9 -7.837 9.759 -0.683 1.00 71.13 O ATOM 151 CB ALA A 9 -8.950 12.542 0.665 1.00 71.32 C ATOM 0 H ALA A 9 -7.479 14.051 -0.599 1.00 43.31 H new ATOM 0 HA ALA A 9 -7.012 11.646 0.772 1.00 12.25 H new ATOM 0 HB1 ALA A 9 -9.455 11.703 1.144 1.00 71.32 H new ATOM 0 HB2 ALA A 9 -8.708 13.296 1.414 1.00 71.32 H new ATOM 0 HB3 ALA A 9 -9.605 12.978 -0.089 1.00 71.32 H new ATOM 157 N LYS A 10 -8.397 11.330 -2.193 1.00 34.14 N ATOM 158 CA LYS A 10 -8.723 10.367 -3.238 1.00 32.11 C ATOM 159 C LYS A 10 -7.543 9.441 -3.512 1.00 24.43 C ATOM 160 O LYS A 10 -7.724 8.262 -3.820 1.00 2.21 O ATOM 161 CB LYS A 10 -9.124 11.095 -4.523 1.00 33.21 C ATOM 162 CG LYS A 10 -10.148 12.195 -4.306 1.00 31.44 C ATOM 163 CD LYS A 10 -10.748 12.666 -5.619 1.00 64.24 C ATOM 164 CE LYS A 10 -11.983 11.859 -5.989 1.00 62.42 C ATOM 165 NZ LYS A 10 -12.946 12.657 -6.799 1.00 34.23 N ATOM 0 H LYS A 10 -8.520 12.305 -2.466 1.00 34.14 H new ATOM 0 HA LYS A 10 -9.562 9.763 -2.893 1.00 32.11 H new ATOM 0 HB2 LYS A 10 -8.233 11.525 -4.980 1.00 33.21 H new ATOM 0 HB3 LYS A 10 -9.527 10.370 -5.230 1.00 33.21 H new ATOM 0 HG2 LYS A 10 -10.941 11.831 -3.653 1.00 31.44 H new ATOM 0 HG3 LYS A 10 -9.677 13.036 -3.798 1.00 31.44 H new ATOM 0 HD2 LYS A 10 -11.011 13.721 -5.542 1.00 64.24 H new ATOM 0 HD3 LYS A 10 -10.005 12.580 -6.412 1.00 64.24 H new ATOM 0 HE2 LYS A 10 -11.684 10.973 -6.550 1.00 62.42 H new ATOM 0 HE3 LYS A 10 -12.474 11.510 -5.081 1.00 62.42 H new ATOM 0 HZ1 LYS A 10 -13.774 12.071 -7.031 1.00 34.23 H new ATOM 0 HZ2 LYS A 10 -13.252 13.489 -6.255 1.00 34.23 H new ATOM 0 HZ3 LYS A 10 -12.486 12.969 -7.678 1.00 34.23 H new ATOM 179 N LEU A 11 -6.334 9.980 -3.396 1.00 64.43 N ATOM 180 CA LEU A 11 -5.123 9.200 -3.630 1.00 52.31 C ATOM 181 C LEU A 11 -5.134 7.917 -2.805 1.00 10.35 C ATOM 182 O LEU A 11 -4.775 6.847 -3.297 1.00 3.42 O ATOM 183 CB LEU A 11 -3.885 10.030 -3.289 1.00 54.30 C ATOM 184 CG LEU A 11 -3.799 11.409 -3.945 1.00 33.24 C ATOM 185 CD1 LEU A 11 -2.457 12.060 -3.645 1.00 41.34 C ATOM 186 CD2 LEU A 11 -4.017 11.300 -5.446 1.00 30.13 C ATOM 0 H LEU A 11 -6.166 10.953 -3.141 1.00 64.43 H new ATOM 0 HA LEU A 11 -5.092 8.930 -4.686 1.00 52.31 H new ATOM 0 HB2 LEU A 11 -3.847 10.161 -2.208 1.00 54.30 H new ATOM 0 HB3 LEU A 11 -3.000 9.459 -3.572 1.00 54.30 H new ATOM 0 HG LEU A 11 -4.586 12.038 -3.529 1.00 33.24 H new ATOM 0 HD11 LEU A 11 -2.414 13.040 -4.120 1.00 41.34 H new ATOM 0 HD12 LEU A 11 -2.340 12.173 -2.567 1.00 41.34 H new ATOM 0 HD13 LEU A 11 -1.654 11.433 -4.033 1.00 41.34 H new ATOM 0 HD21 LEU A 11 -3.952 12.291 -5.896 1.00 30.13 H new ATOM 0 HD22 LEU A 11 -3.253 10.654 -5.879 1.00 30.13 H new ATOM 0 HD23 LEU A 11 -5.002 10.877 -5.641 1.00 30.13 H new ATOM 198 N PHE A 12 -5.548 8.032 -1.548 1.00 60.21 N ATOM 199 CA PHE A 12 -5.607 6.881 -0.655 1.00 52.11 C ATOM 200 C PHE A 12 -6.781 5.975 -1.011 1.00 32.11 C ATOM 201 O PHE A 12 -6.755 4.774 -0.744 1.00 71.11 O ATOM 202 CB PHE A 12 -5.727 7.344 0.799 1.00 30.53 C ATOM 203 CG PHE A 12 -4.513 8.073 1.298 1.00 55.04 C ATOM 204 CD1 PHE A 12 -3.241 7.598 1.025 1.00 5.32 C ATOM 205 CD2 PHE A 12 -4.645 9.236 2.041 1.00 34.43 C ATOM 206 CE1 PHE A 12 -2.122 8.267 1.483 1.00 50.34 C ATOM 207 CE2 PHE A 12 -3.529 9.910 2.503 1.00 64.52 C ATOM 208 CZ PHE A 12 -2.267 9.426 2.222 1.00 32.12 C ATOM 0 H PHE A 12 -5.848 8.910 -1.125 1.00 60.21 H new ATOM 0 HA PHE A 12 -4.685 6.312 -0.774 1.00 52.11 H new ATOM 0 HB2 PHE A 12 -6.596 7.995 0.894 1.00 30.53 H new ATOM 0 HB3 PHE A 12 -5.907 6.477 1.434 1.00 30.53 H new ATOM 0 HD1 PHE A 12 -3.122 6.693 0.447 1.00 5.32 H new ATOM 0 HD2 PHE A 12 -5.630 9.620 2.261 1.00 34.43 H new ATOM 0 HE1 PHE A 12 -1.136 7.885 1.264 1.00 50.34 H new ATOM 0 HE2 PHE A 12 -3.645 10.814 3.083 1.00 64.52 H new ATOM 0 HZ PHE A 12 -1.394 9.952 2.579 1.00 32.12 H new ATOM 218 N GLU A 13 -7.811 6.561 -1.614 1.00 24.41 N ATOM 219 CA GLU A 13 -8.995 5.805 -2.006 1.00 43.43 C ATOM 220 C GLU A 13 -8.643 4.732 -3.032 1.00 10.50 C ATOM 221 O GLU A 13 -9.033 3.574 -2.892 1.00 14.23 O ATOM 222 CB GLU A 13 -10.059 6.745 -2.579 1.00 62.43 C ATOM 223 CG GLU A 13 -11.468 6.431 -2.106 1.00 64.52 C ATOM 224 CD GLU A 13 -11.829 7.157 -0.825 1.00 61.04 C ATOM 225 OE1 GLU A 13 -11.182 6.891 0.209 1.00 54.13 O ATOM 226 OE2 GLU A 13 -12.758 7.992 -0.857 1.00 23.31 O ATOM 0 H GLU A 13 -7.849 7.555 -1.841 1.00 24.41 H new ATOM 0 HA GLU A 13 -9.392 5.315 -1.117 1.00 43.43 H new ATOM 0 HB2 GLU A 13 -9.812 7.770 -2.303 1.00 62.43 H new ATOM 0 HB3 GLU A 13 -10.030 6.692 -3.667 1.00 62.43 H new ATOM 0 HG2 GLU A 13 -12.178 6.704 -2.886 1.00 64.52 H new ATOM 0 HG3 GLU A 13 -11.564 5.357 -1.950 1.00 64.52 H new ATOM 234 N GLU A 14 -7.903 5.128 -4.063 1.00 23.11 N ATOM 235 CA GLU A 14 -7.499 4.200 -5.114 1.00 73.02 C ATOM 236 C GLU A 14 -6.382 3.282 -4.628 1.00 35.13 C ATOM 237 O GLU A 14 -6.237 2.157 -5.106 1.00 44.41 O ATOM 238 CB GLU A 14 -7.040 4.968 -6.355 1.00 55.14 C ATOM 239 CG GLU A 14 -7.959 6.117 -6.735 1.00 73.10 C ATOM 240 CD GLU A 14 -7.911 6.438 -8.216 1.00 10.04 C ATOM 241 OE1 GLU A 14 -8.093 7.621 -8.573 1.00 33.03 O ATOM 242 OE2 GLU A 14 -7.691 5.506 -9.018 1.00 71.12 O ATOM 0 H GLU A 14 -7.571 6.084 -4.193 1.00 23.11 H new ATOM 0 HA GLU A 14 -8.362 3.587 -5.374 1.00 73.02 H new ATOM 0 HB2 GLU A 14 -6.038 5.358 -6.180 1.00 55.14 H new ATOM 0 HB3 GLU A 14 -6.971 4.276 -7.195 1.00 55.14 H new ATOM 0 HG2 GLU A 14 -8.982 5.867 -6.454 1.00 73.10 H new ATOM 0 HG3 GLU A 14 -7.680 7.004 -6.166 1.00 73.10 H new ATOM 250 N TRP A 15 -5.595 3.770 -3.675 1.00 24.41 N ATOM 251 CA TRP A 15 -4.490 2.994 -3.125 1.00 34.44 C ATOM 252 C TRP A 15 -4.983 1.659 -2.575 1.00 0.14 C ATOM 253 O TRP A 15 -4.501 0.597 -2.971 1.00 11.32 O ATOM 254 CB TRP A 15 -3.784 3.784 -2.022 1.00 54.30 C ATOM 255 CG TRP A 15 -2.371 4.146 -2.362 1.00 4.13 C ATOM 256 CD1 TRP A 15 -1.851 4.336 -3.611 1.00 4.40 C ATOM 257 CD2 TRP A 15 -1.295 4.359 -1.442 1.00 41.31 C ATOM 258 NE1 TRP A 15 -0.517 4.655 -3.522 1.00 43.05 N ATOM 259 CE2 TRP A 15 -0.152 4.677 -2.203 1.00 60.42 C ATOM 260 CE3 TRP A 15 -1.186 4.316 -0.049 1.00 1.22 C ATOM 261 CZ2 TRP A 15 1.081 4.946 -1.615 1.00 42.44 C ATOM 262 CZ3 TRP A 15 0.039 4.584 0.532 1.00 62.43 C ATOM 263 CH2 TRP A 15 1.159 4.896 -0.250 1.00 13.23 C ATOM 0 H TRP A 15 -5.702 4.699 -3.268 1.00 24.41 H new ATOM 0 HA TRP A 15 -3.782 2.795 -3.930 1.00 34.44 H new ATOM 0 HB2 TRP A 15 -4.347 4.696 -1.821 1.00 54.30 H new ATOM 0 HB3 TRP A 15 -3.790 3.197 -1.104 1.00 54.30 H new ATOM 0 HD1 TRP A 15 -2.407 4.248 -4.533 1.00 4.40 H new ATOM 0 HE1 TRP A 15 0.101 4.845 -4.311 1.00 43.05 H new ATOM 0 HE3 TRP A 15 -2.044 4.078 0.562 1.00 1.22 H new ATOM 0 HZ2 TRP A 15 1.946 5.186 -2.216 1.00 42.44 H new ATOM 0 HZ3 TRP A 15 0.135 4.552 1.607 1.00 62.43 H new ATOM 0 HH2 TRP A 15 2.102 5.101 0.234 1.00 13.23 H new ATOM 274 N LYS A 16 -5.946 1.720 -1.661 1.00 23.13 N ATOM 275 CA LYS A 16 -6.505 0.517 -1.059 1.00 74.52 C ATOM 276 C LYS A 16 -7.316 -0.278 -2.078 1.00 12.42 C ATOM 277 O LYS A 16 -7.523 -1.481 -1.921 1.00 42.45 O ATOM 278 CB LYS A 16 -7.387 0.883 0.137 1.00 45.35 C ATOM 279 CG LYS A 16 -8.647 1.641 -0.247 1.00 1.23 C ATOM 280 CD LYS A 16 -9.367 2.183 0.977 1.00 31.12 C ATOM 281 CE LYS A 16 -10.305 1.146 1.576 1.00 10.51 C ATOM 282 NZ LYS A 16 -11.640 1.725 1.893 1.00 60.23 N ATOM 0 H LYS A 16 -6.355 2.591 -1.322 1.00 23.13 H new ATOM 0 HA LYS A 16 -5.678 -0.105 -0.717 1.00 74.52 H new ATOM 0 HB2 LYS A 16 -7.668 -0.029 0.664 1.00 45.35 H new ATOM 0 HB3 LYS A 16 -6.807 1.488 0.834 1.00 45.35 H new ATOM 0 HG2 LYS A 16 -8.389 2.465 -0.913 1.00 1.23 H new ATOM 0 HG3 LYS A 16 -9.315 0.981 -0.801 1.00 1.23 H new ATOM 0 HD2 LYS A 16 -8.636 2.489 1.725 1.00 31.12 H new ATOM 0 HD3 LYS A 16 -9.934 3.073 0.703 1.00 31.12 H new ATOM 0 HE2 LYS A 16 -10.425 0.318 0.878 1.00 10.51 H new ATOM 0 HE3 LYS A 16 -9.862 0.736 2.484 1.00 10.51 H new ATOM 0 HZ1 LYS A 16 -12.251 0.988 2.299 1.00 60.23 H new ATOM 0 HZ2 LYS A 16 -11.529 2.499 2.579 1.00 60.23 H new ATOM 0 HZ3 LYS A 16 -12.074 2.093 1.023 1.00 60.23 H new ATOM 296 N LYS A 17 -7.771 0.403 -3.124 1.00 2.51 N ATOM 297 CA LYS A 17 -8.556 -0.237 -4.172 1.00 30.11 C ATOM 298 C LYS A 17 -7.668 -1.085 -5.076 1.00 1.25 C ATOM 299 O LYS A 17 -8.017 -2.213 -5.427 1.00 61.24 O ATOM 300 CB LYS A 17 -9.291 0.817 -5.004 1.00 21.14 C ATOM 301 CG LYS A 17 -10.599 0.321 -5.596 1.00 35.33 C ATOM 302 CD LYS A 17 -11.674 1.393 -5.547 1.00 64.54 C ATOM 303 CE LYS A 17 -12.523 1.388 -6.809 1.00 61.34 C ATOM 304 NZ LYS A 17 -12.877 2.766 -7.246 1.00 42.21 N ATOM 0 H LYS A 17 -7.609 1.400 -3.268 1.00 2.51 H new ATOM 0 HA LYS A 17 -9.288 -0.889 -3.696 1.00 30.11 H new ATOM 0 HB2 LYS A 17 -9.492 1.687 -4.378 1.00 21.14 H new ATOM 0 HB3 LYS A 17 -8.639 1.149 -5.812 1.00 21.14 H new ATOM 0 HG2 LYS A 17 -10.438 0.012 -6.629 1.00 35.33 H new ATOM 0 HG3 LYS A 17 -10.936 -0.559 -5.049 1.00 35.33 H new ATOM 0 HD2 LYS A 17 -12.311 1.231 -4.678 1.00 64.54 H new ATOM 0 HD3 LYS A 17 -11.209 2.371 -5.424 1.00 64.54 H new ATOM 0 HE2 LYS A 17 -11.982 0.882 -7.608 1.00 61.34 H new ATOM 0 HE3 LYS A 17 -13.435 0.818 -6.631 1.00 61.34 H new ATOM 0 HZ1 LYS A 17 -13.456 2.719 -8.109 1.00 42.21 H new ATOM 0 HZ2 LYS A 17 -13.415 3.241 -6.494 1.00 42.21 H new ATOM 0 HZ3 LYS A 17 -12.008 3.302 -7.441 1.00 42.21 H new ATOM 318 N LEU A 18 -6.517 -0.537 -5.450 1.00 20.42 N ATOM 319 CA LEU A 18 -5.577 -1.244 -6.313 1.00 33.35 C ATOM 320 C LEU A 18 -5.170 -2.579 -5.696 1.00 11.22 C ATOM 321 O LEU A 18 -4.763 -3.502 -6.402 1.00 14.23 O ATOM 322 CB LEU A 18 -4.336 -0.385 -6.560 1.00 4.13 C ATOM 323 CG LEU A 18 -4.507 0.773 -7.545 1.00 74.54 C ATOM 324 CD1 LEU A 18 -3.736 1.995 -7.070 1.00 5.40 C ATOM 325 CD2 LEU A 18 -4.054 0.361 -8.938 1.00 33.32 C ATOM 0 H LEU A 18 -6.212 0.395 -5.169 1.00 20.42 H new ATOM 0 HA LEU A 18 -6.072 -1.439 -7.264 1.00 33.35 H new ATOM 0 HB2 LEU A 18 -4.005 0.023 -5.605 1.00 4.13 H new ATOM 0 HB3 LEU A 18 -3.538 -1.031 -6.925 1.00 4.13 H new ATOM 0 HG LEU A 18 -5.565 1.032 -7.592 1.00 74.54 H new ATOM 0 HD11 LEU A 18 -3.869 2.809 -7.783 1.00 5.40 H new ATOM 0 HD12 LEU A 18 -4.109 2.303 -6.093 1.00 5.40 H new ATOM 0 HD13 LEU A 18 -2.677 1.750 -6.993 1.00 5.40 H new ATOM 0 HD21 LEU A 18 -4.183 1.197 -9.625 1.00 33.32 H new ATOM 0 HD22 LEU A 18 -3.003 0.074 -8.909 1.00 33.32 H new ATOM 0 HD23 LEU A 18 -4.651 -0.484 -9.280 1.00 33.32 H new ATOM 337 N ALA A 19 -5.284 -2.675 -4.375 1.00 12.53 N ATOM 338 CA ALA A 19 -4.932 -3.896 -3.664 1.00 30.51 C ATOM 339 C ALA A 19 -5.960 -4.995 -3.918 1.00 51.25 C ATOM 340 O ALA A 19 -5.748 -6.151 -3.555 1.00 62.21 O ATOM 341 CB ALA A 19 -4.807 -3.623 -2.173 1.00 73.21 C ATOM 0 H ALA A 19 -5.618 -1.920 -3.776 1.00 12.53 H new ATOM 0 HA ALA A 19 -3.969 -4.240 -4.040 1.00 30.51 H new ATOM 0 HB1 ALA A 19 -4.544 -4.545 -1.655 1.00 73.21 H new ATOM 0 HB2 ALA A 19 -4.030 -2.877 -2.004 1.00 73.21 H new ATOM 0 HB3 ALA A 19 -5.757 -3.251 -1.790 1.00 73.21 H new ATOM 347 N GLU A 20 -7.074 -4.623 -4.541 1.00 22.31 N ATOM 348 CA GLU A 20 -8.135 -5.577 -4.841 1.00 24.41 C ATOM 349 C GLU A 20 -7.686 -6.573 -5.907 1.00 61.22 C ATOM 350 O GLU A 20 -7.834 -7.784 -5.741 1.00 53.32 O ATOM 351 CB GLU A 20 -9.393 -4.844 -5.311 1.00 20.33 C ATOM 352 CG GLU A 20 -10.579 -5.762 -5.552 1.00 34.45 C ATOM 353 CD GLU A 20 -11.766 -5.427 -4.670 1.00 13.52 C ATOM 354 OE1 GLU A 20 -12.265 -6.337 -3.975 1.00 65.33 O ATOM 355 OE2 GLU A 20 -12.196 -4.254 -4.674 1.00 64.23 O ATOM 0 H GLU A 20 -7.265 -3.669 -4.847 1.00 22.31 H new ATOM 0 HA GLU A 20 -8.363 -6.126 -3.928 1.00 24.41 H new ATOM 0 HB2 GLU A 20 -9.668 -4.098 -4.566 1.00 20.33 H new ATOM 0 HB3 GLU A 20 -9.167 -4.307 -6.232 1.00 20.33 H new ATOM 0 HG2 GLU A 20 -10.878 -5.695 -6.598 1.00 34.45 H new ATOM 0 HG3 GLU A 20 -10.277 -6.794 -5.372 1.00 34.45 H new ATOM 363 N GLU A 21 -7.137 -6.054 -7.001 1.00 54.04 N ATOM 364 CA GLU A 21 -6.669 -6.897 -8.094 1.00 11.22 C ATOM 365 C GLU A 21 -5.703 -7.963 -7.583 1.00 12.31 C ATOM 366 O GLU A 21 -5.668 -9.081 -8.096 1.00 73.35 O ATOM 367 CB GLU A 21 -5.986 -6.046 -9.167 1.00 35.43 C ATOM 368 CG GLU A 21 -4.797 -5.254 -8.650 1.00 51.31 C ATOM 369 CD GLU A 21 -3.495 -5.653 -9.316 1.00 1.34 C ATOM 370 OE1 GLU A 21 -3.027 -4.905 -10.200 1.00 20.10 O ATOM 371 OE2 GLU A 21 -2.944 -6.713 -8.954 1.00 32.24 O ATOM 0 H GLU A 21 -7.006 -5.054 -7.153 1.00 54.04 H new ATOM 0 HA GLU A 21 -7.534 -7.395 -8.532 1.00 11.22 H new ATOM 0 HB2 GLU A 21 -5.655 -6.695 -9.977 1.00 35.43 H new ATOM 0 HB3 GLU A 21 -6.716 -5.355 -9.590 1.00 35.43 H new ATOM 0 HG2 GLU A 21 -4.974 -4.191 -8.815 1.00 51.31 H new ATOM 0 HG3 GLU A 21 -4.709 -5.399 -7.573 1.00 51.31 H new ATOM 379 N ALA A 22 -4.919 -7.606 -6.571 1.00 52.43 N ATOM 380 CA ALA A 22 -3.953 -8.530 -5.989 1.00 65.44 C ATOM 381 C ALA A 22 -4.641 -9.536 -5.070 1.00 1.30 C ATOM 382 O ALA A 22 -4.200 -10.678 -4.944 1.00 10.43 O ATOM 383 CB ALA A 22 -2.882 -7.764 -5.229 1.00 24.44 C ATOM 0 H ALA A 22 -4.934 -6.683 -6.137 1.00 52.43 H new ATOM 0 HA ALA A 22 -3.481 -9.083 -6.801 1.00 65.44 H new ATOM 0 HB1 ALA A 22 -2.168 -8.467 -4.800 1.00 24.44 H new ATOM 0 HB2 ALA A 22 -2.363 -7.090 -5.911 1.00 24.44 H new ATOM 0 HB3 ALA A 22 -3.346 -7.185 -4.430 1.00 24.44 H new ATOM 389 N ALA A 23 -5.722 -9.102 -4.430 1.00 63.01 N ATOM 390 CA ALA A 23 -6.470 -9.964 -3.525 1.00 34.40 C ATOM 391 C ALA A 23 -7.248 -11.026 -4.294 1.00 50.03 C ATOM 392 O ALA A 23 -7.234 -12.204 -3.937 1.00 73.41 O ATOM 393 CB ALA A 23 -7.413 -9.135 -2.665 1.00 34.52 C ATOM 0 H ALA A 23 -6.099 -8.159 -4.522 1.00 63.01 H new ATOM 0 HA ALA A 23 -5.757 -10.473 -2.876 1.00 34.40 H new ATOM 0 HB1 ALA A 23 -7.966 -9.792 -1.994 1.00 34.52 H new ATOM 0 HB2 ALA A 23 -6.837 -8.419 -2.079 1.00 34.52 H new ATOM 0 HB3 ALA A 23 -8.113 -8.599 -3.306 1.00 34.52 H new ATOM 399 N LYS A 24 -7.928 -10.603 -5.354 1.00 41.35 N ATOM 400 CA LYS A 24 -8.714 -11.516 -6.176 1.00 1.21 C ATOM 401 C LYS A 24 -7.808 -12.488 -6.925 1.00 22.20 C ATOM 402 O LYS A 24 -8.149 -13.659 -7.103 1.00 15.54 O ATOM 403 CB LYS A 24 -9.571 -10.730 -7.171 1.00 24.14 C ATOM 404 CG LYS A 24 -8.771 -9.782 -8.047 1.00 32.34 C ATOM 405 CD LYS A 24 -8.469 -10.396 -9.404 1.00 73.25 C ATOM 406 CE LYS A 24 -9.712 -10.456 -10.278 1.00 60.14 C ATOM 407 NZ LYS A 24 -9.679 -9.435 -11.361 1.00 1.03 N ATOM 0 H LYS A 24 -7.951 -9.632 -5.665 1.00 41.35 H new ATOM 0 HA LYS A 24 -9.367 -12.089 -5.518 1.00 1.21 H new ATOM 0 HB2 LYS A 24 -10.110 -11.432 -7.807 1.00 24.14 H new ATOM 0 HB3 LYS A 24 -10.319 -10.159 -6.621 1.00 24.14 H new ATOM 0 HG2 LYS A 24 -9.327 -8.854 -8.182 1.00 32.34 H new ATOM 0 HG3 LYS A 24 -7.837 -9.524 -7.547 1.00 32.34 H new ATOM 0 HD2 LYS A 24 -7.698 -9.811 -9.906 1.00 73.25 H new ATOM 0 HD3 LYS A 24 -8.069 -11.401 -9.269 1.00 73.25 H new ATOM 0 HE2 LYS A 24 -9.799 -11.449 -10.718 1.00 60.14 H new ATOM 0 HE3 LYS A 24 -10.597 -10.302 -9.661 1.00 60.14 H new ATOM 0 HZ1 LYS A 24 -10.544 -9.509 -11.934 1.00 1.03 H new ATOM 0 HZ2 LYS A 24 -9.622 -8.485 -10.941 1.00 1.03 H new ATOM 0 HZ3 LYS A 24 -8.848 -9.597 -11.965 1.00 1.03 H new ATOM 421 N LEU A 25 -6.653 -11.997 -7.362 1.00 54.24 N ATOM 422 CA LEU A 25 -5.698 -12.823 -8.091 1.00 33.14 C ATOM 423 C LEU A 25 -4.938 -13.744 -7.141 1.00 72.10 C ATOM 424 O LEU A 25 -4.660 -14.899 -7.467 1.00 45.31 O ATOM 425 CB LEU A 25 -4.713 -11.940 -8.860 1.00 35.41 C ATOM 426 CG LEU A 25 -5.151 -11.508 -10.260 1.00 10.22 C ATOM 427 CD1 LEU A 25 -4.072 -10.664 -10.920 1.00 75.45 C ATOM 428 CD2 LEU A 25 -5.479 -12.723 -11.115 1.00 21.04 C ATOM 0 H LEU A 25 -6.356 -11.031 -7.224 1.00 54.24 H new ATOM 0 HA LEU A 25 -6.253 -13.439 -8.798 1.00 33.14 H new ATOM 0 HB2 LEU A 25 -4.521 -11.045 -8.269 1.00 35.41 H new ATOM 0 HB3 LEU A 25 -3.767 -12.475 -8.946 1.00 35.41 H new ATOM 0 HG LEU A 25 -6.052 -10.901 -10.167 1.00 10.22 H new ATOM 0 HD11 LEU A 25 -4.401 -10.366 -11.915 1.00 75.45 H new ATOM 0 HD12 LEU A 25 -3.886 -9.775 -10.318 1.00 75.45 H new ATOM 0 HD13 LEU A 25 -3.154 -11.246 -11.001 1.00 75.45 H new ATOM 0 HD21 LEU A 25 -5.789 -12.396 -12.108 1.00 21.04 H new ATOM 0 HD22 LEU A 25 -4.596 -13.357 -11.200 1.00 21.04 H new ATOM 0 HD23 LEU A 25 -6.287 -13.288 -10.650 1.00 21.04 H new ATOM 440 N LEU A 26 -4.606 -13.226 -5.963 1.00 1.32 N ATOM 441 CA LEU A 26 -3.879 -14.002 -4.964 1.00 70.11 C ATOM 442 C LEU A 26 -4.549 -15.353 -4.732 1.00 74.33 C ATOM 443 O LEU A 26 -3.884 -16.387 -4.689 1.00 13.54 O ATOM 444 CB LEU A 26 -3.799 -13.227 -3.648 1.00 15.22 C ATOM 445 CG LEU A 26 -2.500 -12.458 -3.399 1.00 45.14 C ATOM 446 CD1 LEU A 26 -2.754 -11.259 -2.500 1.00 0.52 C ATOM 447 CD2 LEU A 26 -1.447 -13.372 -2.790 1.00 64.35 C ATOM 0 H LEU A 26 -4.829 -12.273 -5.677 1.00 1.32 H new ATOM 0 HA LEU A 26 -2.870 -14.177 -5.338 1.00 70.11 H new ATOM 0 HB2 LEU A 26 -4.628 -12.520 -3.615 1.00 15.22 H new ATOM 0 HB3 LEU A 26 -3.945 -13.929 -2.827 1.00 15.22 H new ATOM 0 HG LEU A 26 -2.126 -12.095 -4.356 1.00 45.14 H new ATOM 0 HD11 LEU A 26 -1.819 -10.724 -2.334 1.00 0.52 H new ATOM 0 HD12 LEU A 26 -3.473 -10.593 -2.976 1.00 0.52 H new ATOM 0 HD13 LEU A 26 -3.152 -11.599 -1.544 1.00 0.52 H new ATOM 0 HD21 LEU A 26 -0.530 -12.808 -2.620 1.00 64.35 H new ATOM 0 HD22 LEU A 26 -1.812 -13.766 -1.841 1.00 64.35 H new ATOM 0 HD23 LEU A 26 -1.244 -14.198 -3.472 1.00 64.35 H new ATOM 459 N GLU A 27 -5.871 -15.335 -4.584 1.00 20.54 N ATOM 460 CA GLU A 27 -6.629 -16.559 -4.358 1.00 70.22 C ATOM 461 C GLU A 27 -7.258 -17.057 -5.657 1.00 74.32 C ATOM 462 O GLU A 27 -8.116 -17.939 -5.645 1.00 60.24 O ATOM 463 CB GLU A 27 -7.718 -16.324 -3.309 1.00 52.10 C ATOM 464 CG GLU A 27 -7.237 -15.545 -2.096 1.00 0.44 C ATOM 465 CD GLU A 27 -7.607 -16.215 -0.788 1.00 54.33 C ATOM 466 OE1 GLU A 27 -6.950 -17.213 -0.425 1.00 64.10 O ATOM 467 OE2 GLU A 27 -8.555 -15.742 -0.126 1.00 13.03 O ATOM 0 H GLU A 27 -6.437 -14.487 -4.617 1.00 20.54 H new ATOM 0 HA GLU A 27 -5.940 -17.321 -3.992 1.00 70.22 H new ATOM 0 HB2 GLU A 27 -8.546 -15.786 -3.771 1.00 52.10 H new ATOM 0 HB3 GLU A 27 -8.108 -17.287 -2.980 1.00 52.10 H new ATOM 0 HG2 GLU A 27 -6.154 -15.431 -2.148 1.00 0.44 H new ATOM 0 HG3 GLU A 27 -7.664 -14.543 -2.120 1.00 0.44 H new ATOM 475 N GLY A 28 -6.825 -16.485 -6.775 1.00 15.45 N ATOM 476 CA GLY A 28 -7.355 -16.883 -8.066 1.00 51.22 C ATOM 477 C GLY A 28 -7.130 -18.353 -8.358 1.00 41.00 C ATOM 478 O GLY A 28 -7.731 -18.910 -9.274 1.00 70.34 O ATOM 0 H GLY A 28 -6.116 -15.752 -6.810 1.00 15.45 H new ATOM 0 HA2 GLY A 28 -8.423 -16.669 -8.098 1.00 51.22 H new ATOM 0 HA3 GLY A 28 -6.886 -16.285 -8.848 1.00 51.22 H new ATOM 482 N GLY A 29 -6.257 -18.983 -7.577 1.00 53.15 N ATOM 483 CA GLY A 29 -5.968 -20.391 -7.773 1.00 35.55 C ATOM 484 C GLY A 29 -4.488 -20.700 -7.662 1.00 11.21 C ATOM 485 O GLY A 29 -3.941 -21.451 -8.469 1.00 35.41 O ATOM 0 H GLY A 29 -5.745 -18.543 -6.812 1.00 53.15 H new ATOM 0 HA2 GLY A 29 -6.515 -20.977 -7.034 1.00 35.55 H new ATOM 0 HA3 GLY A 29 -6.328 -20.699 -8.755 1.00 35.55 H new ATOM 489 N GLY A 30 -3.836 -20.117 -6.661 1.00 54.42 N ATOM 490 CA GLY A 30 -2.416 -20.345 -6.467 1.00 53.51 C ATOM 491 C GLY A 30 -1.910 -19.771 -5.159 1.00 75.22 C ATOM 492 O GLY A 30 -1.003 -18.940 -5.146 1.00 0.42 O ATOM 0 H GLY A 30 -4.266 -19.491 -5.981 1.00 54.42 H new ATOM 0 HA2 GLY A 30 -2.217 -21.416 -6.491 1.00 53.51 H new ATOM 0 HA3 GLY A 30 -1.863 -19.899 -7.294 1.00 53.51 H new ATOM 496 N GLY A 31 -2.499 -20.214 -4.052 1.00 73.04 N ATOM 497 CA GLY A 31 -2.091 -19.727 -2.747 1.00 3.23 C ATOM 498 C GLY A 31 -2.790 -20.451 -1.614 1.00 14.34 C ATOM 499 O GLY A 31 -2.673 -21.668 -1.479 1.00 2.35 O ATOM 0 H GLY A 31 -3.252 -20.902 -4.036 1.00 73.04 H new ATOM 0 HA2 GLY A 31 -1.013 -19.845 -2.639 1.00 3.23 H new ATOM 0 HA3 GLY A 31 -2.303 -18.660 -2.678 1.00 3.23 H new ATOM 503 N GLY A 32 -3.516 -19.699 -0.793 1.00 73.23 N ATOM 504 CA GLY A 32 -4.224 -20.294 0.326 1.00 14.35 C ATOM 505 C GLY A 32 -3.293 -20.998 1.293 1.00 1.33 C ATOM 506 O GLY A 32 -3.683 -21.960 1.953 1.00 51.34 O ATOM 0 H GLY A 32 -3.627 -18.689 -0.882 1.00 73.23 H new ATOM 0 HA2 GLY A 32 -4.775 -19.518 0.857 1.00 14.35 H new ATOM 0 HA3 GLY A 32 -4.958 -21.006 -0.050 1.00 14.35 H new ATOM 510 N GLY A 33 -2.055 -20.520 1.375 1.00 1.40 N ATOM 511 CA GLY A 33 -1.084 -21.123 2.269 1.00 20.15 C ATOM 512 C GLY A 33 -1.288 -20.708 3.713 1.00 4.24 C ATOM 513 O GLY A 33 -0.393 -20.137 4.334 1.00 72.42 O ATOM 0 H GLY A 33 -1.707 -19.726 0.838 1.00 1.40 H new ATOM 0 HA2 GLY A 33 -1.150 -22.208 2.193 1.00 20.15 H new ATOM 0 HA3 GLY A 33 -0.080 -20.842 1.952 1.00 20.15 H new ATOM 517 N GLY A 34 -2.471 -20.995 4.247 1.00 51.21 N ATOM 518 CA GLY A 34 -2.770 -20.639 5.622 1.00 53.23 C ATOM 519 C GLY A 34 -3.495 -19.312 5.733 1.00 12.24 C ATOM 520 O GLY A 34 -4.123 -19.024 6.750 1.00 60.54 O ATOM 0 H GLY A 34 -3.228 -21.468 3.752 1.00 51.21 H new ATOM 0 HA2 GLY A 34 -3.380 -21.422 6.072 1.00 53.23 H new ATOM 0 HA3 GLY A 34 -1.842 -20.591 6.192 1.00 53.23 H new ATOM 524 N GLY A 35 -3.405 -18.501 4.685 1.00 2.24 N ATOM 525 CA GLY A 35 -4.060 -17.205 4.690 1.00 24.45 C ATOM 526 C GLY A 35 -3.119 -16.081 5.075 1.00 71.42 C ATOM 527 O GLY A 35 -3.396 -14.913 4.807 1.00 41.04 O ATOM 0 H GLY A 35 -2.890 -18.717 3.831 1.00 2.24 H new ATOM 0 HA2 GLY A 35 -4.473 -17.006 3.701 1.00 24.45 H new ATOM 0 HA3 GLY A 35 -4.898 -17.228 5.387 1.00 24.45 H new ATOM 531 N GLU A 36 -2.005 -16.435 5.709 1.00 43.31 N ATOM 532 CA GLU A 36 -1.023 -15.445 6.134 1.00 71.01 C ATOM 533 C GLU A 36 -0.548 -14.606 4.951 1.00 2.20 C ATOM 534 O GLU A 36 -0.284 -13.410 5.088 1.00 35.54 O ATOM 535 CB GLU A 36 0.172 -16.132 6.799 1.00 22.13 C ATOM 536 CG GLU A 36 1.317 -15.186 7.120 1.00 34.41 C ATOM 537 CD GLU A 36 2.385 -15.835 7.979 1.00 62.00 C ATOM 538 OE1 GLU A 36 2.763 -15.235 9.007 1.00 34.22 O ATOM 539 OE2 GLU A 36 2.843 -16.940 7.624 1.00 22.41 O ATOM 0 H GLU A 36 -1.761 -17.398 5.939 1.00 43.31 H new ATOM 0 HA GLU A 36 -1.501 -14.784 6.857 1.00 71.01 H new ATOM 0 HB2 GLU A 36 -0.161 -16.611 7.720 1.00 22.13 H new ATOM 0 HB3 GLU A 36 0.538 -16.922 6.143 1.00 22.13 H new ATOM 0 HG2 GLU A 36 1.766 -14.836 6.190 1.00 34.41 H new ATOM 0 HG3 GLU A 36 0.925 -14.309 7.635 1.00 34.41 H new ATOM 547 N LEU A 37 -0.440 -15.241 3.790 1.00 64.24 N ATOM 548 CA LEU A 37 0.003 -14.555 2.581 1.00 0.42 C ATOM 549 C LEU A 37 -0.892 -13.359 2.273 1.00 0.20 C ATOM 550 O LEU A 37 -0.407 -12.260 2.007 1.00 10.53 O ATOM 551 CB LEU A 37 0.009 -15.521 1.395 1.00 52.41 C ATOM 552 CG LEU A 37 0.307 -14.904 0.028 1.00 2.25 C ATOM 553 CD1 LEU A 37 1.613 -14.124 0.068 1.00 13.22 C ATOM 554 CD2 LEU A 37 0.362 -15.983 -1.044 1.00 34.20 C ATOM 0 H LEU A 37 -0.653 -16.230 3.660 1.00 64.24 H new ATOM 0 HA LEU A 37 1.017 -14.192 2.751 1.00 0.42 H new ATOM 0 HB2 LEU A 37 0.748 -16.298 1.589 1.00 52.41 H new ATOM 0 HB3 LEU A 37 -0.964 -16.011 1.346 1.00 52.41 H new ATOM 0 HG LEU A 37 -0.499 -14.213 -0.221 1.00 2.25 H new ATOM 0 HD11 LEU A 37 1.809 -13.692 -0.913 1.00 13.22 H new ATOM 0 HD12 LEU A 37 1.538 -13.326 0.807 1.00 13.22 H new ATOM 0 HD13 LEU A 37 2.429 -14.794 0.339 1.00 13.22 H new ATOM 0 HD21 LEU A 37 0.575 -15.525 -2.010 1.00 34.20 H new ATOM 0 HD22 LEU A 37 1.147 -16.698 -0.800 1.00 34.20 H new ATOM 0 HD23 LEU A 37 -0.597 -16.499 -1.090 1.00 34.20 H new ATOM 566 N MET A 38 -2.202 -13.582 2.314 1.00 11.44 N ATOM 567 CA MET A 38 -3.166 -12.521 2.043 1.00 30.14 C ATOM 568 C MET A 38 -3.117 -11.451 3.130 1.00 23.32 C ATOM 569 O MET A 38 -3.366 -10.274 2.869 1.00 61.31 O ATOM 570 CB MET A 38 -4.578 -13.100 1.944 1.00 32.01 C ATOM 571 CG MET A 38 -5.667 -12.040 1.897 1.00 14.30 C ATOM 572 SD MET A 38 -7.166 -12.619 1.079 1.00 15.12 S ATOM 573 CE MET A 38 -6.604 -12.729 -0.618 1.00 20.30 C ATOM 0 H MET A 38 -2.620 -14.487 2.532 1.00 11.44 H new ATOM 0 HA MET A 38 -2.903 -12.059 1.092 1.00 30.14 H new ATOM 0 HB2 MET A 38 -4.646 -13.719 1.050 1.00 32.01 H new ATOM 0 HB3 MET A 38 -4.755 -13.753 2.798 1.00 32.01 H new ATOM 0 HG2 MET A 38 -5.909 -11.729 2.913 1.00 14.30 H new ATOM 0 HG3 MET A 38 -5.290 -11.160 1.375 1.00 14.30 H new ATOM 0 HE1 MET A 38 -7.465 -12.776 -1.284 1.00 20.30 H new ATOM 0 HE2 MET A 38 -6.005 -11.851 -0.861 1.00 20.30 H new ATOM 0 HE3 MET A 38 -5.999 -13.627 -0.743 1.00 20.30 H new ATOM 583 N LYS A 39 -2.794 -11.868 4.350 1.00 24.22 N ATOM 584 CA LYS A 39 -2.711 -10.947 5.477 1.00 42.53 C ATOM 585 C LYS A 39 -1.647 -9.882 5.232 1.00 11.14 C ATOM 586 O LYS A 39 -1.738 -8.767 5.749 1.00 64.42 O ATOM 587 CB LYS A 39 -2.397 -11.711 6.765 1.00 1.35 C ATOM 588 CG LYS A 39 -2.376 -10.832 8.004 1.00 44.22 C ATOM 589 CD LYS A 39 -1.135 -11.080 8.843 1.00 2.24 C ATOM 590 CE LYS A 39 -0.893 -9.948 9.830 1.00 71.25 C ATOM 591 NZ LYS A 39 0.124 -10.312 10.854 1.00 75.42 N ATOM 0 H LYS A 39 -2.585 -12.839 4.583 1.00 24.22 H new ATOM 0 HA LYS A 39 -3.677 -10.453 5.582 1.00 42.53 H new ATOM 0 HB2 LYS A 39 -3.139 -12.498 6.901 1.00 1.35 H new ATOM 0 HB3 LYS A 39 -1.429 -12.200 6.660 1.00 1.35 H new ATOM 0 HG2 LYS A 39 -2.412 -9.784 7.708 1.00 44.22 H new ATOM 0 HG3 LYS A 39 -3.266 -11.025 8.603 1.00 44.22 H new ATOM 0 HD2 LYS A 39 -1.243 -12.020 9.385 1.00 2.24 H new ATOM 0 HD3 LYS A 39 -0.269 -11.186 8.190 1.00 2.24 H new ATOM 0 HE2 LYS A 39 -0.563 -9.060 9.290 1.00 71.25 H new ATOM 0 HE3 LYS A 39 -1.830 -9.691 10.324 1.00 71.25 H new ATOM 0 HZ1 LYS A 39 0.260 -9.514 11.507 1.00 75.42 H new ATOM 0 HZ2 LYS A 39 -0.202 -11.144 11.386 1.00 75.42 H new ATOM 0 HZ3 LYS A 39 1.026 -10.533 10.385 1.00 75.42 H new ATOM 605 N LEU A 40 -0.638 -10.232 4.441 1.00 2.40 N ATOM 606 CA LEU A 40 0.444 -9.305 4.125 1.00 53.33 C ATOM 607 C LEU A 40 -0.061 -8.150 3.266 1.00 0.43 C ATOM 608 O LEU A 40 0.024 -6.986 3.661 1.00 42.10 O ATOM 609 CB LEU A 40 1.575 -10.038 3.403 1.00 44.14 C ATOM 610 CG LEU A 40 2.483 -10.900 4.279 1.00 25.13 C ATOM 611 CD1 LEU A 40 3.561 -11.566 3.437 1.00 3.22 C ATOM 612 CD2 LEU A 40 3.109 -10.064 5.386 1.00 43.40 C ATOM 0 H LEU A 40 -0.547 -11.150 4.007 1.00 2.40 H new ATOM 0 HA LEU A 40 0.824 -8.896 5.061 1.00 53.33 H new ATOM 0 HB2 LEU A 40 1.136 -10.673 2.634 1.00 44.14 H new ATOM 0 HB3 LEU A 40 2.192 -9.299 2.892 1.00 44.14 H new ATOM 0 HG LEU A 40 1.876 -11.680 4.740 1.00 25.13 H new ATOM 0 HD11 LEU A 40 4.198 -12.176 4.078 1.00 3.22 H new ATOM 0 HD12 LEU A 40 3.094 -12.198 2.682 1.00 3.22 H new ATOM 0 HD13 LEU A 40 4.164 -10.802 2.947 1.00 3.22 H new ATOM 0 HD21 LEU A 40 3.752 -10.695 5.999 1.00 43.40 H new ATOM 0 HD22 LEU A 40 3.701 -9.262 4.946 1.00 43.40 H new ATOM 0 HD23 LEU A 40 2.323 -9.635 6.007 1.00 43.40 H new ATOM 624 N CYS A 41 -0.587 -8.480 2.092 1.00 63.11 N ATOM 625 CA CYS A 41 -1.108 -7.471 1.177 1.00 43.51 C ATOM 626 C CYS A 41 -2.251 -6.691 1.819 1.00 31.33 C ATOM 627 O CYS A 41 -2.519 -5.549 1.451 1.00 61.04 O ATOM 628 CB CYS A 41 -1.586 -8.125 -0.120 1.00 15.11 C ATOM 629 SG CYS A 41 -3.132 -9.047 0.045 1.00 51.04 S ATOM 0 H CYS A 41 -0.664 -9.438 1.751 1.00 63.11 H new ATOM 0 HA CYS A 41 -0.301 -6.775 0.948 1.00 43.51 H new ATOM 0 HB2 CYS A 41 -1.715 -7.352 -0.878 1.00 15.11 H new ATOM 0 HB3 CYS A 41 -0.810 -8.800 -0.482 1.00 15.11 H new ATOM 0 HG CYS A 41 -3.199 -9.573 1.232 1.00 51.04 H new ATOM 635 N GLU A 42 -2.922 -7.320 2.779 1.00 53.00 N ATOM 636 CA GLU A 42 -4.039 -6.685 3.471 1.00 22.43 C ATOM 637 C GLU A 42 -3.580 -5.433 4.211 1.00 33.05 C ATOM 638 O GLU A 42 -4.369 -4.524 4.462 1.00 43.34 O ATOM 639 CB GLU A 42 -4.681 -7.666 4.454 1.00 33.32 C ATOM 640 CG GLU A 42 -5.727 -7.028 5.354 1.00 21.31 C ATOM 641 CD GLU A 42 -6.344 -8.018 6.322 1.00 54.04 C ATOM 642 OE1 GLU A 42 -5.661 -8.998 6.685 1.00 14.24 O ATOM 643 OE2 GLU A 42 -7.511 -7.812 6.718 1.00 35.55 O ATOM 0 H GLU A 42 -2.713 -8.267 3.095 1.00 53.00 H new ATOM 0 HA GLU A 42 -4.778 -6.393 2.724 1.00 22.43 H new ATOM 0 HB2 GLU A 42 -5.143 -8.479 3.894 1.00 33.32 H new ATOM 0 HB3 GLU A 42 -3.901 -8.109 5.074 1.00 33.32 H new ATOM 0 HG2 GLU A 42 -5.270 -6.213 5.915 1.00 21.31 H new ATOM 0 HG3 GLU A 42 -6.512 -6.590 4.738 1.00 21.31 H new ATOM 651 N GLU A 43 -2.297 -5.394 4.558 1.00 2.33 N ATOM 652 CA GLU A 43 -1.733 -4.253 5.270 1.00 33.34 C ATOM 653 C GLU A 43 -2.005 -2.954 4.518 1.00 54.52 C ATOM 654 O GLU A 43 -2.246 -1.911 5.127 1.00 0.10 O ATOM 655 CB GLU A 43 -0.226 -4.438 5.463 1.00 45.11 C ATOM 656 CG GLU A 43 0.140 -5.690 6.241 1.00 64.24 C ATOM 657 CD GLU A 43 0.729 -5.380 7.602 1.00 72.41 C ATOM 658 OE1 GLU A 43 1.943 -5.606 7.789 1.00 64.42 O ATOM 659 OE2 GLU A 43 -0.023 -4.911 8.482 1.00 65.15 O ATOM 0 H GLU A 43 -1.629 -6.139 4.358 1.00 2.33 H new ATOM 0 HA GLU A 43 -2.212 -4.194 6.247 1.00 33.34 H new ATOM 0 HB2 GLU A 43 0.255 -4.475 4.485 1.00 45.11 H new ATOM 0 HB3 GLU A 43 0.174 -3.568 5.983 1.00 45.11 H new ATOM 0 HG2 GLU A 43 -0.749 -6.308 6.366 1.00 64.24 H new ATOM 0 HG3 GLU A 43 0.856 -6.275 5.664 1.00 64.24 H new ATOM 667 N ALA A 44 -1.966 -3.024 3.192 1.00 21.44 N ATOM 668 CA ALA A 44 -2.209 -1.855 2.357 1.00 73.32 C ATOM 669 C ALA A 44 -3.508 -1.159 2.753 1.00 25.51 C ATOM 670 O ALA A 44 -3.556 0.065 2.870 1.00 70.14 O ATOM 671 CB ALA A 44 -2.248 -2.253 0.889 1.00 3.30 C ATOM 0 H ALA A 44 -1.768 -3.879 2.672 1.00 21.44 H new ATOM 0 HA ALA A 44 -1.389 -1.153 2.510 1.00 73.32 H new ATOM 0 HB1 ALA A 44 -2.430 -1.370 0.277 1.00 3.30 H new ATOM 0 HB2 ALA A 44 -1.294 -2.699 0.607 1.00 3.30 H new ATOM 0 HB3 ALA A 44 -3.048 -2.976 0.729 1.00 3.30 H new ATOM 677 N ALA A 45 -4.559 -1.948 2.954 1.00 35.15 N ATOM 678 CA ALA A 45 -5.857 -1.408 3.338 1.00 3.42 C ATOM 679 C ALA A 45 -5.867 -0.991 4.804 1.00 61.43 C ATOM 680 O ALA A 45 -6.677 -0.163 5.219 1.00 54.43 O ATOM 681 CB ALA A 45 -6.954 -2.428 3.068 1.00 0.54 C ATOM 0 H ALA A 45 -4.536 -2.963 2.857 1.00 35.15 H new ATOM 0 HA ALA A 45 -6.046 -0.520 2.735 1.00 3.42 H new ATOM 0 HB1 ALA A 45 -7.918 -2.011 3.360 1.00 0.54 H new ATOM 0 HB2 ALA A 45 -6.970 -2.672 2.006 1.00 0.54 H new ATOM 0 HB3 ALA A 45 -6.760 -3.332 3.645 1.00 0.54 H new ATOM 687 N LYS A 46 -4.963 -1.572 5.585 1.00 71.24 N ATOM 688 CA LYS A 46 -4.867 -1.262 7.007 1.00 1.12 C ATOM 689 C LYS A 46 -4.195 0.090 7.225 1.00 30.51 C ATOM 690 O LYS A 46 -4.705 0.938 7.957 1.00 11.12 O ATOM 691 CB LYS A 46 -4.085 -2.356 7.737 1.00 23.13 C ATOM 692 CG LYS A 46 -4.846 -2.979 8.895 1.00 14.23 C ATOM 693 CD LYS A 46 -4.563 -2.255 10.201 1.00 65.50 C ATOM 694 CE LYS A 46 -5.618 -1.200 10.492 1.00 75.10 C ATOM 695 NZ LYS A 46 -6.388 -1.512 11.729 1.00 1.41 N ATOM 0 H LYS A 46 -4.286 -2.261 5.257 1.00 71.24 H new ATOM 0 HA LYS A 46 -5.878 -1.215 7.412 1.00 1.12 H new ATOM 0 HB2 LYS A 46 -3.820 -3.138 7.025 1.00 23.13 H new ATOM 0 HB3 LYS A 46 -3.152 -1.935 8.111 1.00 23.13 H new ATOM 0 HG2 LYS A 46 -5.915 -2.950 8.686 1.00 14.23 H new ATOM 0 HG3 LYS A 46 -4.568 -4.028 8.992 1.00 14.23 H new ATOM 0 HD2 LYS A 46 -4.532 -2.975 11.018 1.00 65.50 H new ATOM 0 HD3 LYS A 46 -3.581 -1.785 10.153 1.00 65.50 H new ATOM 0 HE2 LYS A 46 -5.139 -0.227 10.598 1.00 75.10 H new ATOM 0 HE3 LYS A 46 -6.302 -1.128 9.647 1.00 75.10 H new ATOM 0 HZ1 LYS A 46 -7.097 -0.769 11.893 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 -6.866 -2.429 11.618 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 -5.739 -1.556 12.540 1.00 1.41 H new ATOM 709 N LYS A 47 -3.048 0.285 6.582 1.00 73.45 N ATOM 710 CA LYS A 47 -2.307 1.535 6.704 1.00 44.11 C ATOM 711 C LYS A 47 -3.091 2.693 6.095 1.00 3.44 C ATOM 712 O LYS A 47 -3.104 3.798 6.636 1.00 10.42 O ATOM 713 CB LYS A 47 -0.945 1.412 6.018 1.00 25.04 C ATOM 714 CG LYS A 47 -0.056 0.338 6.620 1.00 25.44 C ATOM 715 CD LYS A 47 0.161 0.562 8.108 1.00 43.03 C ATOM 716 CE LYS A 47 -0.706 -0.369 8.942 1.00 32.02 C ATOM 717 NZ LYS A 47 -0.222 -0.463 10.348 1.00 72.35 N ATOM 0 H LYS A 47 -2.612 -0.406 5.972 1.00 73.45 H new ATOM 0 HA LYS A 47 -2.157 1.738 7.764 1.00 44.11 H new ATOM 0 HB2 LYS A 47 -1.098 1.195 4.961 1.00 25.04 H new ATOM 0 HB3 LYS A 47 -0.431 2.371 6.075 1.00 25.04 H new ATOM 0 HG2 LYS A 47 -0.508 -0.641 6.461 1.00 25.44 H new ATOM 0 HG3 LYS A 47 0.906 0.332 6.108 1.00 25.44 H new ATOM 0 HD2 LYS A 47 1.211 0.400 8.352 1.00 43.03 H new ATOM 0 HD3 LYS A 47 -0.069 1.598 8.359 1.00 43.03 H new ATOM 0 HE2 LYS A 47 -1.735 -0.011 8.935 1.00 32.02 H new ATOM 0 HE3 LYS A 47 -0.711 -1.362 8.492 1.00 32.02 H new ATOM 0 HZ1 LYS A 47 -0.838 -1.106 10.885 1.00 72.35 H new ATOM 0 HZ2 LYS A 47 0.752 -0.829 10.356 1.00 72.35 H new ATOM 0 HZ3 LYS A 47 -0.241 0.480 10.786 1.00 72.35 H new ATOM 731 N ALA A 48 -3.744 2.433 4.967 1.00 60.22 N ATOM 732 CA ALA A 48 -4.533 3.453 4.287 1.00 34.41 C ATOM 733 C ALA A 48 -5.760 3.835 5.109 1.00 22.02 C ATOM 734 O ALA A 48 -6.064 5.016 5.273 1.00 62.43 O ATOM 735 CB ALA A 48 -4.949 2.965 2.908 1.00 72.35 C ATOM 0 H ALA A 48 -3.742 1.524 4.505 1.00 60.22 H new ATOM 0 HA ALA A 48 -3.913 4.342 4.173 1.00 34.41 H new ATOM 0 HB1 ALA A 48 -5.538 3.736 2.411 1.00 72.35 H new ATOM 0 HB2 ALA A 48 -4.060 2.749 2.315 1.00 72.35 H new ATOM 0 HB3 ALA A 48 -5.548 2.060 3.008 1.00 72.35 H new ATOM 741 N GLU A 49 -6.460 2.828 5.621 1.00 74.53 N ATOM 742 CA GLU A 49 -7.656 3.061 6.424 1.00 32.03 C ATOM 743 C GLU A 49 -7.289 3.620 7.795 1.00 54.42 C ATOM 744 O GLU A 49 -8.073 4.342 8.411 1.00 2.20 O ATOM 745 CB GLU A 49 -8.448 1.762 6.587 1.00 42.13 C ATOM 746 CG GLU A 49 -9.741 1.931 7.366 1.00 14.20 C ATOM 747 CD GLU A 49 -10.859 2.511 6.522 1.00 73.25 C ATOM 748 OE1 GLU A 49 -11.814 1.768 6.212 1.00 33.35 O ATOM 749 OE2 GLU A 49 -10.782 3.707 6.172 1.00 15.14 O ATOM 0 H GLU A 49 -6.221 1.845 5.495 1.00 74.53 H new ATOM 0 HA GLU A 49 -8.275 3.793 5.905 1.00 32.03 H new ATOM 0 HB2 GLU A 49 -8.678 1.361 5.600 1.00 42.13 H new ATOM 0 HB3 GLU A 49 -7.823 1.026 7.093 1.00 42.13 H new ATOM 0 HG2 GLU A 49 -10.053 0.964 7.760 1.00 14.20 H new ATOM 0 HG3 GLU A 49 -9.562 2.581 8.222 1.00 14.20 H new ATOM 757 N GLU A 50 -6.094 3.283 8.266 1.00 31.44 N ATOM 758 CA GLU A 50 -5.624 3.751 9.565 1.00 72.23 C ATOM 759 C GLU A 50 -5.304 5.242 9.522 1.00 51.33 C ATOM 760 O GLU A 50 -5.753 6.009 10.376 1.00 15.15 O ATOM 761 CB GLU A 50 -4.385 2.964 9.998 1.00 42.42 C ATOM 762 CG GLU A 50 -3.794 3.438 11.315 1.00 41.20 C ATOM 763 CD GLU A 50 -3.166 2.310 12.111 1.00 34.32 C ATOM 764 OE1 GLU A 50 -3.821 1.258 12.265 1.00 13.02 O ATOM 765 OE2 GLU A 50 -2.022 2.480 12.581 1.00 33.22 O ATOM 0 H GLU A 50 -5.433 2.687 7.768 1.00 31.44 H new ATOM 0 HA GLU A 50 -6.420 3.589 10.291 1.00 72.23 H new ATOM 0 HB2 GLU A 50 -4.647 1.909 10.085 1.00 42.42 H new ATOM 0 HB3 GLU A 50 -3.626 3.041 9.220 1.00 42.42 H new ATOM 0 HG2 GLU A 50 -3.041 4.201 11.118 1.00 41.20 H new ATOM 0 HG3 GLU A 50 -4.576 3.908 11.912 1.00 41.20 H new ATOM 773 N LEU A 51 -4.527 5.647 8.524 1.00 63.22 N ATOM 774 CA LEU A 51 -4.147 7.046 8.369 1.00 3.43 C ATOM 775 C LEU A 51 -5.328 7.882 7.888 1.00 41.23 C ATOM 776 O LEU A 51 -5.465 9.051 8.252 1.00 22.31 O ATOM 777 CB LEU A 51 -2.983 7.173 7.384 1.00 33.12 C ATOM 778 CG LEU A 51 -3.247 6.669 5.965 1.00 72.13 C ATOM 779 CD1 LEU A 51 -3.836 7.776 5.106 1.00 51.30 C ATOM 780 CD2 LEU A 51 -1.966 6.133 5.343 1.00 41.03 C ATOM 0 H LEU A 51 -4.148 5.026 7.810 1.00 63.22 H new ATOM 0 HA LEU A 51 -3.834 7.421 9.343 1.00 3.43 H new ATOM 0 HB2 LEU A 51 -2.694 8.222 7.327 1.00 33.12 H new ATOM 0 HB3 LEU A 51 -2.130 6.629 7.789 1.00 33.12 H new ATOM 0 HG LEU A 51 -3.970 5.855 6.018 1.00 72.13 H new ATOM 0 HD11 LEU A 51 -4.017 7.398 4.100 1.00 51.30 H new ATOM 0 HD12 LEU A 51 -4.776 8.113 5.542 1.00 51.30 H new ATOM 0 HD13 LEU A 51 -3.137 8.611 5.060 1.00 51.30 H new ATOM 0 HD21 LEU A 51 -2.173 5.778 4.333 1.00 41.03 H new ATOM 0 HD22 LEU A 51 -1.221 6.927 5.303 1.00 41.03 H new ATOM 0 HD23 LEU A 51 -1.586 5.309 5.946 1.00 41.03 H new ATOM 792 N PHE A 52 -6.181 7.275 7.069 1.00 41.21 N ATOM 793 CA PHE A 52 -7.353 7.963 6.539 1.00 62.12 C ATOM 794 C PHE A 52 -8.302 8.367 7.664 1.00 63.22 C ATOM 795 O PHE A 52 -9.025 9.357 7.556 1.00 41.12 O ATOM 796 CB PHE A 52 -8.084 7.069 5.535 1.00 72.14 C ATOM 797 CG PHE A 52 -9.322 7.698 4.963 1.00 54.23 C ATOM 798 CD1 PHE A 52 -9.233 8.801 4.128 1.00 32.13 C ATOM 799 CD2 PHE A 52 -10.575 7.188 5.260 1.00 45.02 C ATOM 800 CE1 PHE A 52 -10.369 9.383 3.599 1.00 35.23 C ATOM 801 CE2 PHE A 52 -11.716 7.765 4.733 1.00 54.11 C ATOM 802 CZ PHE A 52 -11.613 8.864 3.903 1.00 72.11 C ATOM 0 H PHE A 52 -6.083 6.309 6.758 1.00 41.21 H new ATOM 0 HA PHE A 52 -7.015 8.867 6.032 1.00 62.12 H new ATOM 0 HB2 PHE A 52 -7.404 6.819 4.721 1.00 72.14 H new ATOM 0 HB3 PHE A 52 -8.354 6.133 6.024 1.00 72.14 H new ATOM 0 HD1 PHE A 52 -8.263 9.211 3.888 1.00 32.13 H new ATOM 0 HD2 PHE A 52 -10.662 6.330 5.910 1.00 45.02 H new ATOM 0 HE1 PHE A 52 -10.285 10.242 2.949 1.00 35.23 H new ATOM 0 HE2 PHE A 52 -12.687 7.356 4.970 1.00 54.11 H new ATOM 0 HZ PHE A 52 -12.503 9.317 3.492 1.00 72.11 H new ATOM 812 N LYS A 53 -8.294 7.592 8.743 1.00 64.01 N ATOM 813 CA LYS A 53 -9.152 7.867 9.889 1.00 61.44 C ATOM 814 C LYS A 53 -8.858 9.247 10.470 1.00 34.22 C ATOM 815 O LYS A 53 -9.745 10.097 10.557 1.00 5.45 O ATOM 816 CB LYS A 53 -8.959 6.797 10.965 1.00 70.54 C ATOM 817 CG LYS A 53 -9.863 5.589 10.791 1.00 65.45 C ATOM 818 CD LYS A 53 -11.330 5.967 10.918 1.00 30.32 C ATOM 819 CE LYS A 53 -12.219 4.734 10.992 1.00 11.21 C ATOM 820 NZ LYS A 53 -12.687 4.472 12.382 1.00 44.12 N ATOM 0 H LYS A 53 -7.702 6.768 8.848 1.00 64.01 H new ATOM 0 HA LYS A 53 -10.187 7.848 9.549 1.00 61.44 H new ATOM 0 HB2 LYS A 53 -7.920 6.467 10.955 1.00 70.54 H new ATOM 0 HB3 LYS A 53 -9.143 7.240 11.944 1.00 70.54 H new ATOM 0 HG2 LYS A 53 -9.686 5.138 9.814 1.00 65.45 H new ATOM 0 HG3 LYS A 53 -9.614 4.836 11.539 1.00 65.45 H new ATOM 0 HD2 LYS A 53 -11.474 6.575 11.811 1.00 30.32 H new ATOM 0 HD3 LYS A 53 -11.624 6.579 10.065 1.00 30.32 H new ATOM 0 HE2 LYS A 53 -13.080 4.867 10.337 1.00 11.21 H new ATOM 0 HE3 LYS A 53 -11.670 3.867 10.624 1.00 11.21 H new ATOM 0 HZ1 LYS A 53 -13.290 3.624 12.391 1.00 44.12 H new ATOM 0 HZ2 LYS A 53 -11.866 4.320 13.002 1.00 44.12 H new ATOM 0 HZ3 LYS A 53 -13.233 5.289 12.724 1.00 44.12 H new ATOM 834 N LEU A 54 -7.608 9.462 10.868 1.00 61.24 N ATOM 835 CA LEU A 54 -7.198 10.739 11.440 1.00 11.54 C ATOM 836 C LEU A 54 -7.060 11.802 10.355 1.00 0.13 C ATOM 837 O LEU A 54 -7.465 12.949 10.541 1.00 12.33 O ATOM 838 CB LEU A 54 -5.871 10.582 12.187 1.00 73.42 C ATOM 839 CG LEU A 54 -5.865 11.038 13.646 1.00 70.33 C ATOM 840 CD1 LEU A 54 -6.272 12.500 13.750 1.00 0.42 C ATOM 841 CD2 LEU A 54 -6.791 10.166 14.482 1.00 22.40 C ATOM 0 H LEU A 54 -6.862 8.769 10.805 1.00 61.24 H new ATOM 0 HA LEU A 54 -7.968 11.060 12.141 1.00 11.54 H new ATOM 0 HB2 LEU A 54 -5.580 9.532 12.154 1.00 73.42 H new ATOM 0 HB3 LEU A 54 -5.106 11.142 11.649 1.00 73.42 H new ATOM 0 HG LEU A 54 -4.852 10.934 14.034 1.00 70.33 H new ATOM 0 HD11 LEU A 54 -6.262 12.807 14.796 1.00 0.42 H new ATOM 0 HD12 LEU A 54 -5.571 13.114 13.185 1.00 0.42 H new ATOM 0 HD13 LEU A 54 -7.275 12.628 13.344 1.00 0.42 H new ATOM 0 HD21 LEU A 54 -6.774 10.505 15.518 1.00 22.40 H new ATOM 0 HD22 LEU A 54 -7.807 10.237 14.094 1.00 22.40 H new ATOM 0 HD23 LEU A 54 -6.456 9.130 14.434 1.00 22.40 H new ATOM 853 N ALA A 55 -6.487 11.413 9.220 1.00 71.22 N ATOM 854 CA ALA A 55 -6.300 12.332 8.104 1.00 62.51 C ATOM 855 C ALA A 55 -7.639 12.848 7.588 1.00 55.30 C ATOM 856 O ALA A 55 -7.713 13.927 7.002 1.00 70.02 O ATOM 857 CB ALA A 55 -5.529 11.650 6.984 1.00 32.35 C ATOM 0 H ALA A 55 -6.144 10.467 9.050 1.00 71.22 H new ATOM 0 HA ALA A 55 -5.724 13.186 8.460 1.00 62.51 H new ATOM 0 HB1 ALA A 55 -5.396 12.347 6.157 1.00 32.35 H new ATOM 0 HB2 ALA A 55 -4.553 11.335 7.353 1.00 32.35 H new ATOM 0 HB3 ALA A 55 -6.085 10.778 6.638 1.00 32.35 H new ATOM 863 N GLU A 56 -8.694 12.071 7.811 1.00 72.10 N ATOM 864 CA GLU A 56 -10.030 12.450 7.367 1.00 40.21 C ATOM 865 C GLU A 56 -10.390 13.850 7.859 1.00 34.05 C ATOM 866 O GLU A 56 -11.215 14.537 7.259 1.00 21.25 O ATOM 867 CB GLU A 56 -11.064 11.440 7.867 1.00 54.23 C ATOM 868 CG GLU A 56 -12.498 11.932 7.755 1.00 62.42 C ATOM 869 CD GLU A 56 -13.474 10.816 7.437 1.00 61.22 C ATOM 870 OE1 GLU A 56 -14.030 10.226 8.387 1.00 73.12 O ATOM 871 OE2 GLU A 56 -13.681 10.531 6.239 1.00 60.14 O ATOM 0 H GLU A 56 -8.649 11.175 8.297 1.00 72.10 H new ATOM 0 HA GLU A 56 -10.035 12.454 6.277 1.00 40.21 H new ATOM 0 HB2 GLU A 56 -10.960 10.515 7.299 1.00 54.23 H new ATOM 0 HB3 GLU A 56 -10.851 11.200 8.909 1.00 54.23 H new ATOM 0 HG2 GLU A 56 -12.789 12.408 8.691 1.00 62.42 H new ATOM 0 HG3 GLU A 56 -12.557 12.694 6.978 1.00 62.42 H new ATOM 879 N GLU A 57 -9.763 14.264 8.957 1.00 44.00 N ATOM 880 CA GLU A 57 -10.018 15.581 9.530 1.00 20.32 C ATOM 881 C GLU A 57 -9.319 16.670 8.723 1.00 42.34 C ATOM 882 O GLU A 57 -9.953 17.619 8.261 1.00 41.11 O ATOM 883 CB GLU A 57 -9.548 15.627 10.985 1.00 5.23 C ATOM 884 CG GLU A 57 -9.838 16.948 11.677 1.00 64.00 C ATOM 885 CD GLU A 57 -8.841 17.264 12.775 1.00 22.45 C ATOM 886 OE1 GLU A 57 -8.264 16.312 13.342 1.00 55.24 O ATOM 887 OE2 GLU A 57 -8.637 18.460 13.065 1.00 13.22 O ATOM 0 H GLU A 57 -9.076 13.707 9.466 1.00 44.00 H new ATOM 0 HA GLU A 57 -11.092 15.762 9.497 1.00 20.32 H new ATOM 0 HB2 GLU A 57 -10.031 14.822 11.540 1.00 5.23 H new ATOM 0 HB3 GLU A 57 -8.475 15.437 11.018 1.00 5.23 H new ATOM 0 HG2 GLU A 57 -9.826 17.750 10.939 1.00 64.00 H new ATOM 0 HG3 GLU A 57 -10.842 16.919 12.101 1.00 64.00 H new ATOM 895 N ARG A 58 -8.008 16.527 8.557 1.00 24.20 N ATOM 896 CA ARG A 58 -7.222 17.499 7.807 1.00 41.11 C ATOM 897 C ARG A 58 -7.568 17.450 6.322 1.00 65.14 C ATOM 898 O ARG A 58 -7.166 18.321 5.550 1.00 32.13 O ATOM 899 CB ARG A 58 -5.728 17.238 8.001 1.00 31.33 C ATOM 900 CG ARG A 58 -5.338 15.778 7.832 1.00 31.13 C ATOM 901 CD ARG A 58 -5.284 15.383 6.365 1.00 43.42 C ATOM 902 NE ARG A 58 -4.506 16.331 5.571 1.00 61.05 N ATOM 903 CZ ARG A 58 -3.185 16.447 5.650 1.00 24.21 C ATOM 904 NH1 ARG A 58 -2.498 15.676 6.483 1.00 44.51 N ATOM 905 NH2 ARG A 58 -2.549 17.332 4.895 1.00 40.21 N ATOM 0 H ARG A 58 -7.468 15.747 8.932 1.00 24.20 H new ATOM 0 HA ARG A 58 -7.463 18.492 8.186 1.00 41.11 H new ATOM 0 HB2 ARG A 58 -5.167 17.840 7.287 1.00 31.33 H new ATOM 0 HB3 ARG A 58 -5.436 17.570 8.997 1.00 31.33 H new ATOM 0 HG2 ARG A 58 -4.366 15.604 8.293 1.00 31.13 H new ATOM 0 HG3 ARG A 58 -6.056 15.146 8.354 1.00 31.13 H new ATOM 0 HD2 ARG A 58 -4.847 14.389 6.273 1.00 43.42 H new ATOM 0 HD3 ARG A 58 -6.297 15.324 5.968 1.00 43.42 H new ATOM 0 HE ARG A 58 -5.005 16.937 4.920 1.00 61.05 H new ATOM 0 HH11 ARG A 58 -2.984 14.993 7.064 1.00 44.51 H new ATOM 0 HH12 ARG A 58 -1.484 15.766 6.542 1.00 44.51 H new ATOM 0 HH21 ARG A 58 -3.074 17.925 4.252 1.00 40.21 H new ATOM 0 HH22 ARG A 58 -1.535 17.420 4.957 1.00 40.21 H new ATOM 919 N LEU A 59 -8.317 16.425 5.929 1.00 42.54 N ATOM 920 CA LEU A 59 -8.719 16.262 4.535 1.00 15.11 C ATOM 921 C LEU A 59 -10.156 16.726 4.324 1.00 32.30 C ATOM 922 O LEU A 59 -10.410 17.686 3.597 1.00 52.34 O ATOM 923 CB LEU A 59 -8.575 14.799 4.111 1.00 74.13 C ATOM 924 CG LEU A 59 -7.233 14.408 3.492 1.00 73.42 C ATOM 925 CD1 LEU A 59 -7.157 12.903 3.289 1.00 20.31 C ATOM 926 CD2 LEU A 59 -7.021 15.138 2.174 1.00 23.23 C ATOM 0 H LEU A 59 -8.658 15.695 6.555 1.00 42.54 H new ATOM 0 HA LEU A 59 -8.065 16.879 3.919 1.00 15.11 H new ATOM 0 HB2 LEU A 59 -8.746 14.170 4.985 1.00 74.13 H new ATOM 0 HB3 LEU A 59 -9.363 14.570 3.394 1.00 74.13 H new ATOM 0 HG LEU A 59 -6.439 14.701 4.178 1.00 73.42 H new ATOM 0 HD11 LEU A 59 -6.195 12.644 2.848 1.00 20.31 H new ATOM 0 HD12 LEU A 59 -7.262 12.400 4.250 1.00 20.31 H new ATOM 0 HD13 LEU A 59 -7.959 12.585 2.623 1.00 20.31 H new ATOM 0 HD21 LEU A 59 -6.061 14.848 1.748 1.00 23.23 H new ATOM 0 HD22 LEU A 59 -7.820 14.876 1.480 1.00 23.23 H new ATOM 0 HD23 LEU A 59 -7.030 16.214 2.348 1.00 23.23 H new ATOM 938 N LYS A 60 -11.094 16.038 4.967 1.00 61.23 N ATOM 939 CA LYS A 60 -12.507 16.380 4.853 1.00 70.02 C ATOM 940 C LYS A 60 -12.905 17.405 5.911 1.00 41.50 C ATOM 941 O LYS A 60 -13.204 18.557 5.593 1.00 22.42 O ATOM 942 CB LYS A 60 -13.370 15.125 4.994 1.00 71.43 C ATOM 943 CG LYS A 60 -12.743 13.883 4.384 1.00 40.04 C ATOM 944 CD LYS A 60 -12.398 14.095 2.920 1.00 12.50 C ATOM 945 CE LYS A 60 -12.407 12.785 2.149 1.00 35.24 C ATOM 946 NZ LYS A 60 -13.754 12.150 2.149 1.00 4.14 N ATOM 0 H LYS A 60 -10.901 15.240 5.572 1.00 61.23 H new ATOM 0 HA LYS A 60 -12.671 16.817 3.868 1.00 70.02 H new ATOM 0 HB2 LYS A 60 -13.561 14.943 6.052 1.00 71.43 H new ATOM 0 HB3 LYS A 60 -14.336 15.304 4.521 1.00 71.43 H new ATOM 0 HG2 LYS A 60 -11.841 13.620 4.937 1.00 40.04 H new ATOM 0 HG3 LYS A 60 -13.431 13.043 4.479 1.00 40.04 H new ATOM 0 HD2 LYS A 60 -13.113 14.786 2.473 1.00 12.50 H new ATOM 0 HD3 LYS A 60 -11.415 14.558 2.840 1.00 12.50 H new ATOM 0 HE2 LYS A 60 -12.091 12.966 1.122 1.00 35.24 H new ATOM 0 HE3 LYS A 60 -11.683 12.100 2.589 1.00 35.24 H new ATOM 0 HZ1 LYS A 60 -13.866 11.574 1.290 1.00 4.14 H new ATOM 0 HZ2 LYS A 60 -13.852 11.544 2.988 1.00 4.14 H new ATOM 0 HZ3 LYS A 60 -14.486 12.889 2.168 1.00 4.14 H new ATOM 960 N LYS A 61 -12.906 16.980 7.170 1.00 42.42 N ATOM 961 CA LYS A 61 -13.264 17.861 8.275 1.00 70.41 C ATOM 962 C LYS A 61 -13.192 17.120 9.606 1.00 64.54 C ATOM 963 O LYS A 61 -12.432 17.498 10.499 1.00 5.24 O ATOM 964 CB LYS A 61 -14.672 18.425 8.068 1.00 75.51 C ATOM 965 CG LYS A 61 -14.780 19.911 8.364 1.00 71.12 C ATOM 966 CD LYS A 61 -14.585 20.201 9.843 1.00 3.42 C ATOM 967 CE LYS A 61 -14.785 21.677 10.152 1.00 13.00 C ATOM 968 NZ LYS A 61 -14.006 22.104 11.348 1.00 23.54 N ATOM 0 H LYS A 61 -12.663 16.030 7.450 1.00 42.42 H new ATOM 0 HA LYS A 61 -12.549 18.684 8.298 1.00 70.41 H new ATOM 0 HB2 LYS A 61 -14.979 18.245 7.038 1.00 75.51 H new ATOM 0 HB3 LYS A 61 -15.369 17.884 8.708 1.00 75.51 H new ATOM 0 HG2 LYS A 61 -14.033 20.454 7.784 1.00 71.12 H new ATOM 0 HG3 LYS A 61 -15.757 20.276 8.046 1.00 71.12 H new ATOM 0 HD2 LYS A 61 -15.288 19.607 10.427 1.00 3.42 H new ATOM 0 HD3 LYS A 61 -13.583 19.897 10.146 1.00 3.42 H new ATOM 0 HE2 LYS A 61 -14.483 22.273 9.290 1.00 13.00 H new ATOM 0 HE3 LYS A 61 -15.844 21.873 10.320 1.00 13.00 H new ATOM 0 HZ1 LYS A 61 -14.169 23.116 11.525 1.00 23.54 H new ATOM 0 HZ2 LYS A 61 -14.311 21.554 12.176 1.00 23.54 H new ATOM 0 HZ3 LYS A 61 -12.993 21.941 11.179 1.00 23.54 H new ATOM 982 N LEU A 62 -13.987 16.063 9.733 1.00 13.42 N ATOM 983 CA LEU A 62 -14.011 15.267 10.957 1.00 5.30 C ATOM 984 C LEU A 62 -14.217 16.155 12.179 1.00 12.41 C ATOM 985 O LEU A 62 -15.303 16.145 12.755 1.00 74.23 O ATOM 986 CB LEU A 62 -12.710 14.476 11.099 1.00 22.10 C ATOM 987 CG LEU A 62 -12.825 13.116 11.789 1.00 33.34 C ATOM 988 CD1 LEU A 62 -11.449 12.502 11.990 1.00 33.45 C ATOM 989 CD2 LEU A 62 -13.549 13.253 13.121 1.00 34.54 C ATOM 0 H LEU A 62 -14.623 15.737 9.005 1.00 13.42 H new ATOM 0 HA LEU A 62 -14.847 14.570 10.893 1.00 5.30 H new ATOM 0 HB2 LEU A 62 -12.291 14.323 10.105 1.00 22.10 H new ATOM 0 HB3 LEU A 62 -11.997 15.084 11.655 1.00 22.10 H new ATOM 0 HG LEU A 62 -13.407 12.453 11.148 1.00 33.34 H new ATOM 0 HD11 LEU A 62 -11.551 11.535 12.482 1.00 33.45 H new ATOM 0 HD12 LEU A 62 -10.966 12.368 11.022 1.00 33.45 H new ATOM 0 HD13 LEU A 62 -10.843 13.163 12.610 1.00 33.45 H new ATOM 0 HD21 LEU A 62 -13.622 12.276 13.598 1.00 34.54 H new ATOM 0 HD22 LEU A 62 -12.994 13.932 13.768 1.00 34.54 H new ATOM 0 HD23 LEU A 62 -14.550 13.649 12.952 1.00 34.54 H new ATOM 1002 N MET B 1 16.057 -21.442 -6.936 1.00 13.12 N ATOM 1003 CA MET B 1 15.612 -20.274 -7.688 1.00 54.35 C ATOM 1004 C MET B 1 14.110 -20.337 -7.951 1.00 2.14 C ATOM 1005 O MET B 1 13.511 -21.412 -7.934 1.00 22.04 O ATOM 1006 CB MET B 1 16.370 -20.174 -9.012 1.00 4.24 C ATOM 1007 CG MET B 1 15.946 -21.214 -10.036 1.00 41.14 C ATOM 1008 SD MET B 1 16.947 -21.162 -11.534 1.00 24.21 S ATOM 1009 CE MET B 1 17.071 -22.907 -11.919 1.00 33.13 C ATOM 0 H1 MET B 1 17.033 -21.293 -6.608 1.00 13.12 H new ATOM 0 H2 MET B 1 15.434 -21.585 -6.115 1.00 13.12 H new ATOM 0 H3 MET B 1 16.022 -22.283 -7.547 1.00 13.12 H new ATOM 0 HA MET B 1 15.821 -19.387 -7.091 1.00 54.35 H new ATOM 0 HB2 MET B 1 16.220 -19.180 -9.433 1.00 4.24 H new ATOM 0 HB3 MET B 1 17.437 -20.281 -8.819 1.00 4.24 H new ATOM 0 HG2 MET B 1 16.017 -22.206 -9.591 1.00 41.14 H new ATOM 0 HG3 MET B 1 14.900 -21.056 -10.297 1.00 41.14 H new ATOM 0 HE1 MET B 1 17.664 -23.039 -12.824 1.00 33.13 H new ATOM 0 HE2 MET B 1 17.552 -23.429 -11.092 1.00 33.13 H new ATOM 0 HE3 MET B 1 16.073 -23.317 -12.076 1.00 33.13 H new ATOM 1019 N LYS B 2 13.508 -19.178 -8.195 1.00 25.41 N ATOM 1020 CA LYS B 2 12.077 -19.101 -8.464 1.00 34.41 C ATOM 1021 C LYS B 2 11.678 -20.074 -9.569 1.00 51.12 C ATOM 1022 O LYS B 2 12.407 -20.256 -10.544 1.00 53.44 O ATOM 1023 CB LYS B 2 11.687 -17.675 -8.860 1.00 1.12 C ATOM 1024 CG LYS B 2 12.115 -17.296 -10.267 1.00 24.44 C ATOM 1025 CD LYS B 2 12.294 -15.794 -10.410 1.00 44.03 C ATOM 1026 CE LYS B 2 13.543 -15.455 -11.207 1.00 5.44 C ATOM 1027 NZ LYS B 2 14.787 -15.773 -10.452 1.00 15.11 N ATOM 0 H LYS B 2 13.989 -18.279 -8.212 1.00 25.41 H new ATOM 0 HA LYS B 2 11.546 -19.376 -7.553 1.00 34.41 H new ATOM 0 HB2 LYS B 2 10.606 -17.567 -8.777 1.00 1.12 H new ATOM 0 HB3 LYS B 2 12.133 -16.976 -8.153 1.00 1.12 H new ATOM 0 HG2 LYS B 2 13.050 -17.800 -10.512 1.00 24.44 H new ATOM 0 HG3 LYS B 2 11.369 -17.644 -10.981 1.00 24.44 H new ATOM 0 HD2 LYS B 2 11.420 -15.368 -10.903 1.00 44.03 H new ATOM 0 HD3 LYS B 2 12.357 -15.338 -9.422 1.00 44.03 H new ATOM 0 HE2 LYS B 2 13.536 -16.009 -12.146 1.00 5.44 H new ATOM 0 HE3 LYS B 2 13.534 -14.395 -11.462 1.00 5.44 H new ATOM 0 HZ1 LYS B 2 15.589 -15.264 -10.875 1.00 15.11 H new ATOM 0 HZ2 LYS B 2 14.675 -15.481 -9.460 1.00 15.11 H new ATOM 0 HZ3 LYS B 2 14.966 -16.797 -10.493 1.00 15.11 H new ATOM 1041 N LYS B 3 10.514 -20.697 -9.410 1.00 5.31 N ATOM 1042 CA LYS B 3 10.016 -21.649 -10.396 1.00 54.14 C ATOM 1043 C LYS B 3 8.690 -21.177 -10.986 1.00 24.32 C ATOM 1044 O LYS B 3 8.365 -21.488 -12.133 1.00 74.33 O ATOM 1045 CB LYS B 3 9.840 -23.029 -9.758 1.00 43.42 C ATOM 1046 CG LYS B 3 11.077 -23.525 -9.030 1.00 53.40 C ATOM 1047 CD LYS B 3 10.775 -23.853 -7.578 1.00 74.32 C ATOM 1048 CE LYS B 3 12.051 -24.083 -6.780 1.00 44.42 C ATOM 1049 NZ LYS B 3 12.116 -25.462 -6.223 1.00 54.54 N ATOM 0 H LYS B 3 9.899 -20.559 -8.608 1.00 5.31 H new ATOM 0 HA LYS B 3 10.748 -21.718 -11.201 1.00 54.14 H new ATOM 0 HB2 LYS B 3 9.006 -22.992 -9.057 1.00 43.42 H new ATOM 0 HB3 LYS B 3 9.573 -23.747 -10.533 1.00 43.42 H new ATOM 0 HG2 LYS B 3 11.464 -24.412 -9.531 1.00 53.40 H new ATOM 0 HG3 LYS B 3 11.857 -22.766 -9.078 1.00 53.40 H new ATOM 0 HD2 LYS B 3 10.207 -23.037 -7.130 1.00 74.32 H new ATOM 0 HD3 LYS B 3 10.148 -24.743 -7.528 1.00 74.32 H new ATOM 0 HE2 LYS B 3 12.916 -23.909 -7.420 1.00 44.42 H new ATOM 0 HE3 LYS B 3 12.106 -23.360 -5.966 1.00 44.42 H new ATOM 0 HZ1 LYS B 3 12.999 -25.578 -5.687 1.00 54.54 H new ATOM 0 HZ2 LYS B 3 11.304 -25.620 -5.592 1.00 54.54 H new ATOM 0 HZ3 LYS B 3 12.090 -26.152 -7.001 1.00 54.54 H new ATOM 1063 N LEU B 4 7.931 -20.425 -10.197 1.00 50.00 N ATOM 1064 CA LEU B 4 6.641 -19.909 -10.643 1.00 30.54 C ATOM 1065 C LEU B 4 6.019 -19.009 -9.580 1.00 45.54 C ATOM 1066 O LEU B 4 5.307 -18.057 -9.899 1.00 70.33 O ATOM 1067 CB LEU B 4 5.692 -21.064 -10.968 1.00 20.42 C ATOM 1068 CG LEU B 4 5.391 -22.029 -9.821 1.00 51.34 C ATOM 1069 CD1 LEU B 4 3.890 -22.230 -9.673 1.00 2.42 C ATOM 1070 CD2 LEU B 4 6.089 -23.362 -10.047 1.00 33.03 C ATOM 0 H LEU B 4 8.186 -20.159 -9.246 1.00 50.00 H new ATOM 0 HA LEU B 4 6.805 -19.318 -11.544 1.00 30.54 H new ATOM 0 HB2 LEU B 4 4.749 -20.645 -11.320 1.00 20.42 H new ATOM 0 HB3 LEU B 4 6.116 -21.635 -11.794 1.00 20.42 H new ATOM 0 HG LEU B 4 5.772 -21.594 -8.897 1.00 51.34 H new ATOM 0 HD11 LEU B 4 3.694 -22.920 -8.852 1.00 2.42 H new ATOM 0 HD12 LEU B 4 3.414 -21.272 -9.464 1.00 2.42 H new ATOM 0 HD13 LEU B 4 3.485 -22.642 -10.597 1.00 2.42 H new ATOM 0 HD21 LEU B 4 5.863 -24.036 -9.220 1.00 33.03 H new ATOM 0 HD22 LEU B 4 5.739 -23.803 -10.980 1.00 33.03 H new ATOM 0 HD23 LEU B 4 7.166 -23.204 -10.102 1.00 33.03 H new ATOM 1082 N ARG B 5 6.294 -19.315 -8.317 1.00 20.31 N ATOM 1083 CA ARG B 5 5.763 -18.533 -7.207 1.00 64.55 C ATOM 1084 C ARG B 5 6.044 -17.048 -7.406 1.00 41.53 C ATOM 1085 O ARG B 5 5.303 -16.195 -6.915 1.00 2.42 O ATOM 1086 CB ARG B 5 6.369 -19.007 -5.885 1.00 55.22 C ATOM 1087 CG ARG B 5 5.617 -20.164 -5.250 1.00 71.42 C ATOM 1088 CD ARG B 5 5.976 -20.323 -3.780 1.00 11.42 C ATOM 1089 NE ARG B 5 4.939 -21.032 -3.036 1.00 41.12 N ATOM 1090 CZ ARG B 5 5.097 -21.473 -1.793 1.00 43.41 C ATOM 1091 NH1 ARG B 5 6.245 -21.280 -1.159 1.00 50.22 N ATOM 1092 NH2 ARG B 5 4.105 -22.109 -1.183 1.00 33.25 N ATOM 0 H ARG B 5 6.882 -20.100 -8.036 1.00 20.31 H new ATOM 0 HA ARG B 5 4.683 -18.679 -7.175 1.00 64.55 H new ATOM 0 HB2 ARG B 5 7.403 -19.307 -6.056 1.00 55.22 H new ATOM 0 HB3 ARG B 5 6.391 -18.172 -5.185 1.00 55.22 H new ATOM 0 HG2 ARG B 5 4.544 -19.999 -5.348 1.00 71.42 H new ATOM 0 HG3 ARG B 5 5.848 -21.086 -5.784 1.00 71.42 H new ATOM 0 HD2 ARG B 5 6.918 -20.864 -3.694 1.00 11.42 H new ATOM 0 HD3 ARG B 5 6.132 -19.339 -3.337 1.00 11.42 H new ATOM 0 HE ARG B 5 4.044 -21.198 -3.496 1.00 41.12 H new ATOM 0 HH11 ARG B 5 7.009 -20.792 -1.626 1.00 50.22 H new ATOM 0 HH12 ARG B 5 6.364 -21.620 -0.205 1.00 50.22 H new ATOM 0 HH21 ARG B 5 3.221 -22.259 -1.669 1.00 33.25 H new ATOM 0 HH22 ARG B 5 4.227 -22.447 -0.229 1.00 33.25 H new ATOM 1106 N GLU B 6 7.118 -16.745 -8.127 1.00 11.22 N ATOM 1107 CA GLU B 6 7.498 -15.361 -8.388 1.00 64.50 C ATOM 1108 C GLU B 6 6.324 -14.575 -8.968 1.00 21.55 C ATOM 1109 O GLU B 6 6.246 -13.357 -8.818 1.00 14.40 O ATOM 1110 CB GLU B 6 8.686 -15.308 -9.350 1.00 1.52 C ATOM 1111 CG GLU B 6 9.664 -14.184 -9.049 1.00 45.15 C ATOM 1112 CD GLU B 6 9.849 -13.242 -10.222 1.00 24.11 C ATOM 1113 OE1 GLU B 6 10.047 -12.031 -9.985 1.00 24.15 O ATOM 1114 OE2 GLU B 6 9.795 -13.713 -11.378 1.00 35.24 O ATOM 0 H GLU B 6 7.741 -17.439 -8.541 1.00 11.22 H new ATOM 0 HA GLU B 6 7.786 -14.905 -7.441 1.00 64.50 H new ATOM 0 HB2 GLU B 6 9.216 -16.260 -9.312 1.00 1.52 H new ATOM 0 HB3 GLU B 6 8.314 -15.191 -10.368 1.00 1.52 H new ATOM 0 HG2 GLU B 6 9.309 -13.619 -8.187 1.00 45.15 H new ATOM 0 HG3 GLU B 6 10.629 -14.611 -8.775 1.00 45.15 H new ATOM 1122 N GLU B 7 5.416 -15.284 -9.631 1.00 73.04 N ATOM 1123 CA GLU B 7 4.248 -14.653 -10.234 1.00 63.13 C ATOM 1124 C GLU B 7 3.496 -13.808 -9.209 1.00 65.44 C ATOM 1125 O GLU B 7 2.929 -12.768 -9.542 1.00 23.11 O ATOM 1126 CB GLU B 7 3.314 -15.713 -10.823 1.00 53.23 C ATOM 1127 CG GLU B 7 3.949 -16.534 -11.931 1.00 22.31 C ATOM 1128 CD GLU B 7 3.327 -16.264 -13.287 1.00 65.33 C ATOM 1129 OE1 GLU B 7 2.409 -17.015 -13.679 1.00 22.51 O ATOM 1130 OE2 GLU B 7 3.757 -15.302 -13.957 1.00 72.43 O ATOM 0 H GLU B 7 5.467 -16.294 -9.764 1.00 73.04 H new ATOM 0 HA GLU B 7 4.593 -13.999 -11.035 1.00 63.13 H new ATOM 0 HB2 GLU B 7 2.990 -16.382 -10.026 1.00 53.23 H new ATOM 0 HB3 GLU B 7 2.421 -15.223 -11.211 1.00 53.23 H new ATOM 0 HG2 GLU B 7 5.016 -16.315 -11.975 1.00 22.31 H new ATOM 0 HG3 GLU B 7 3.851 -17.594 -11.695 1.00 22.31 H new ATOM 1138 N ALA B 8 3.494 -14.266 -7.961 1.00 5.42 N ATOM 1139 CA ALA B 8 2.813 -13.553 -6.887 1.00 23.24 C ATOM 1140 C ALA B 8 3.614 -12.335 -6.444 1.00 14.40 C ATOM 1141 O ALA B 8 3.051 -11.351 -5.963 1.00 71.34 O ATOM 1142 CB ALA B 8 2.568 -14.484 -5.709 1.00 1.35 C ATOM 0 H ALA B 8 3.956 -15.127 -7.669 1.00 5.42 H new ATOM 0 HA ALA B 8 1.852 -13.205 -7.266 1.00 23.24 H new ATOM 0 HB1 ALA B 8 2.059 -13.939 -4.914 1.00 1.35 H new ATOM 0 HB2 ALA B 8 1.948 -15.321 -6.030 1.00 1.35 H new ATOM 0 HB3 ALA B 8 3.521 -14.860 -5.338 1.00 1.35 H new ATOM 1148 N ALA B 9 4.931 -12.405 -6.608 1.00 14.03 N ATOM 1149 CA ALA B 9 5.809 -11.307 -6.225 1.00 13.11 C ATOM 1150 C ALA B 9 5.469 -10.037 -6.999 1.00 30.33 C ATOM 1151 O ALA B 9 5.481 -8.938 -6.445 1.00 5.14 O ATOM 1152 CB ALA B 9 7.264 -11.691 -6.448 1.00 5.32 C ATOM 0 H ALA B 9 5.413 -13.212 -7.004 1.00 14.03 H new ATOM 0 HA ALA B 9 5.657 -11.106 -5.164 1.00 13.11 H new ATOM 0 HB1 ALA B 9 7.908 -10.861 -6.157 1.00 5.32 H new ATOM 0 HB2 ALA B 9 7.506 -12.566 -5.845 1.00 5.32 H new ATOM 0 HB3 ALA B 9 7.422 -11.921 -7.502 1.00 5.32 H new ATOM 1158 N LYS B 10 5.168 -10.197 -8.283 1.00 54.33 N ATOM 1159 CA LYS B 10 4.824 -9.063 -9.134 1.00 24.43 C ATOM 1160 C LYS B 10 3.658 -8.276 -8.548 1.00 71.13 C ATOM 1161 O LYS B 10 3.594 -7.052 -8.676 1.00 1.22 O ATOM 1162 CB LYS B 10 4.470 -9.547 -10.542 1.00 23.11 C ATOM 1163 CG LYS B 10 5.482 -10.518 -11.125 1.00 32.32 C ATOM 1164 CD LYS B 10 5.270 -10.718 -12.617 1.00 74.15 C ATOM 1165 CE LYS B 10 6.063 -9.708 -13.432 1.00 50.14 C ATOM 1166 NZ LYS B 10 6.444 -10.250 -14.766 1.00 43.41 N ATOM 0 H LYS B 10 5.155 -11.100 -8.757 1.00 54.33 H new ATOM 0 HA LYS B 10 5.691 -8.405 -9.188 1.00 24.43 H new ATOM 0 HB2 LYS B 10 3.492 -10.027 -10.517 1.00 23.11 H new ATOM 0 HB3 LYS B 10 4.385 -8.684 -11.203 1.00 23.11 H new ATOM 0 HG2 LYS B 10 6.490 -10.144 -10.947 1.00 32.32 H new ATOM 0 HG3 LYS B 10 5.403 -11.477 -10.614 1.00 32.32 H new ATOM 0 HD2 LYS B 10 5.570 -11.728 -12.896 1.00 74.15 H new ATOM 0 HD3 LYS B 10 4.210 -10.624 -12.851 1.00 74.15 H new ATOM 0 HE2 LYS B 10 5.471 -8.802 -13.563 1.00 50.14 H new ATOM 0 HE3 LYS B 10 6.962 -9.425 -12.885 1.00 50.14 H new ATOM 0 HZ1 LYS B 10 6.983 -9.532 -15.291 1.00 43.41 H new ATOM 0 HZ2 LYS B 10 7.030 -11.100 -14.641 1.00 43.41 H new ATOM 0 HZ3 LYS B 10 5.585 -10.497 -15.299 1.00 43.41 H new ATOM 1180 N LEU B 11 2.737 -8.983 -7.903 1.00 71.20 N ATOM 1181 CA LEU B 11 1.573 -8.350 -7.294 1.00 51.14 C ATOM 1182 C LEU B 11 1.993 -7.210 -6.371 1.00 63.04 C ATOM 1183 O LEU B 11 1.387 -6.138 -6.377 1.00 53.24 O ATOM 1184 CB LEU B 11 0.758 -9.380 -6.510 1.00 62.33 C ATOM 1185 CG LEU B 11 0.402 -10.665 -7.260 1.00 33.34 C ATOM 1186 CD1 LEU B 11 -0.510 -11.541 -6.415 1.00 60.12 C ATOM 1187 CD2 LEU B 11 -0.253 -10.340 -8.594 1.00 31.22 C ATOM 0 H LEU B 11 2.774 -9.996 -7.788 1.00 71.20 H new ATOM 0 HA LEU B 11 0.956 -7.939 -8.093 1.00 51.14 H new ATOM 0 HB2 LEU B 11 1.316 -9.649 -5.613 1.00 62.33 H new ATOM 0 HB3 LEU B 11 -0.167 -8.907 -6.180 1.00 62.33 H new ATOM 0 HG LEU B 11 1.322 -11.216 -7.455 1.00 33.34 H new ATOM 0 HD11 LEU B 11 -0.753 -12.450 -6.965 1.00 60.12 H new ATOM 0 HD12 LEU B 11 -0.004 -11.803 -5.486 1.00 60.12 H new ATOM 0 HD13 LEU B 11 -1.428 -10.998 -6.188 1.00 60.12 H new ATOM 0 HD21 LEU B 11 -0.499 -11.266 -9.114 1.00 31.22 H new ATOM 0 HD22 LEU B 11 -1.164 -9.767 -8.422 1.00 31.22 H new ATOM 0 HD23 LEU B 11 0.435 -9.754 -9.204 1.00 31.22 H new ATOM 1199 N PHE B 12 3.034 -7.448 -5.582 1.00 12.22 N ATOM 1200 CA PHE B 12 3.537 -6.440 -4.655 1.00 75.42 C ATOM 1201 C PHE B 12 4.293 -5.345 -5.400 1.00 54.42 C ATOM 1202 O PHE B 12 4.402 -4.216 -4.920 1.00 3.24 O ATOM 1203 CB PHE B 12 4.451 -7.087 -3.612 1.00 62.21 C ATOM 1204 CG PHE B 12 3.718 -7.944 -2.620 1.00 71.24 C ATOM 1205 CD1 PHE B 12 2.540 -7.500 -2.040 1.00 73.32 C ATOM 1206 CD2 PHE B 12 4.204 -9.192 -2.269 1.00 35.42 C ATOM 1207 CE1 PHE B 12 1.863 -8.286 -1.126 1.00 31.14 C ATOM 1208 CE2 PHE B 12 3.532 -9.982 -1.356 1.00 31.20 C ATOM 1209 CZ PHE B 12 2.359 -9.529 -0.785 1.00 53.10 C ATOM 0 H PHE B 12 3.546 -8.330 -5.565 1.00 12.22 H new ATOM 0 HA PHE B 12 2.683 -5.988 -4.150 1.00 75.42 H new ATOM 0 HB2 PHE B 12 5.198 -7.695 -4.123 1.00 62.21 H new ATOM 0 HB3 PHE B 12 4.988 -6.304 -3.076 1.00 62.21 H new ATOM 0 HD1 PHE B 12 2.147 -6.530 -2.305 1.00 73.32 H new ATOM 0 HD2 PHE B 12 5.120 -9.552 -2.714 1.00 35.42 H new ATOM 0 HE1 PHE B 12 0.947 -7.928 -0.679 1.00 31.14 H new ATOM 0 HE2 PHE B 12 3.924 -10.953 -1.089 1.00 31.20 H new ATOM 0 HZ PHE B 12 1.830 -10.146 -0.073 1.00 53.10 H new ATOM 1219 N GLU B 13 4.811 -5.685 -6.576 1.00 33.51 N ATOM 1220 CA GLU B 13 5.558 -4.730 -7.386 1.00 70.31 C ATOM 1221 C GLU B 13 4.743 -3.461 -7.621 1.00 23.31 C ATOM 1222 O GLU B 13 5.284 -2.357 -7.623 1.00 1.02 O ATOM 1223 CB GLU B 13 5.943 -5.358 -8.728 1.00 53.03 C ATOM 1224 CG GLU B 13 7.358 -5.029 -9.170 1.00 4.53 C ATOM 1225 CD GLU B 13 8.378 -6.029 -8.659 1.00 73.14 C ATOM 1226 OE1 GLU B 13 8.545 -6.127 -7.425 1.00 62.34 O ATOM 1227 OE2 GLU B 13 9.008 -6.714 -9.492 1.00 41.44 O ATOM 0 H GLU B 13 4.727 -6.614 -6.989 1.00 33.51 H new ATOM 0 HA GLU B 13 6.465 -4.463 -6.844 1.00 70.31 H new ATOM 0 HB2 GLU B 13 5.836 -6.440 -8.657 1.00 53.03 H new ATOM 0 HB3 GLU B 13 5.244 -5.018 -9.492 1.00 53.03 H new ATOM 0 HG2 GLU B 13 7.397 -5.001 -10.259 1.00 4.53 H new ATOM 0 HG3 GLU B 13 7.623 -4.033 -8.816 1.00 4.53 H new ATOM 1235 N GLU B 14 3.439 -3.631 -7.818 1.00 0.14 N ATOM 1236 CA GLU B 14 2.551 -2.499 -8.056 1.00 73.22 C ATOM 1237 C GLU B 14 2.459 -1.611 -6.818 1.00 52.25 C ATOM 1238 O GLU B 14 2.193 -0.413 -6.920 1.00 72.01 O ATOM 1239 CB GLU B 14 1.156 -2.991 -8.448 1.00 33.40 C ATOM 1240 CG GLU B 14 1.173 -4.133 -9.450 1.00 22.50 C ATOM 1241 CD GLU B 14 -0.084 -4.185 -10.297 1.00 24.13 C ATOM 1242 OE1 GLU B 14 -0.493 -5.300 -10.682 1.00 23.14 O ATOM 1243 OE2 GLU B 14 -0.657 -3.111 -10.576 1.00 32.43 O ATOM 0 H GLU B 14 2.975 -4.539 -7.817 1.00 0.14 H new ATOM 0 HA GLU B 14 2.965 -1.911 -8.875 1.00 73.22 H new ATOM 0 HB2 GLU B 14 0.628 -3.314 -7.551 1.00 33.40 H new ATOM 0 HB3 GLU B 14 0.591 -2.159 -8.868 1.00 33.40 H new ATOM 0 HG2 GLU B 14 2.041 -4.027 -10.101 1.00 22.50 H new ATOM 0 HG3 GLU B 14 1.287 -5.077 -8.917 1.00 22.50 H new ATOM 1251 N TRP B 15 2.680 -2.207 -5.652 1.00 12.01 N ATOM 1252 CA TRP B 15 2.622 -1.470 -4.395 1.00 34.02 C ATOM 1253 C TRP B 15 3.696 -0.389 -4.347 1.00 54.24 C ATOM 1254 O TRP B 15 3.396 0.789 -4.153 1.00 11.51 O ATOM 1255 CB TRP B 15 2.790 -2.425 -3.212 1.00 35.31 C ATOM 1256 CG TRP B 15 2.245 -1.881 -1.926 1.00 25.50 C ATOM 1257 CD1 TRP B 15 2.068 -0.567 -1.603 1.00 13.32 C ATOM 1258 CD2 TRP B 15 1.808 -2.638 -0.792 1.00 51.12 C ATOM 1259 NE1 TRP B 15 1.547 -0.460 -0.335 1.00 12.32 N ATOM 1260 CE2 TRP B 15 1.378 -1.717 0.183 1.00 73.12 C ATOM 1261 CE3 TRP B 15 1.736 -4.004 -0.506 1.00 31.22 C ATOM 1262 CZ2 TRP B 15 0.885 -2.120 1.421 1.00 2.52 C ATOM 1263 CZ3 TRP B 15 1.247 -4.403 0.723 1.00 12.51 C ATOM 1264 CH2 TRP B 15 0.826 -3.463 1.674 1.00 34.02 C ATOM 0 H TRP B 15 2.901 -3.198 -5.551 1.00 12.01 H new ATOM 0 HA TRP B 15 1.646 -0.989 -4.330 1.00 34.02 H new ATOM 0 HB2 TRP B 15 2.290 -3.366 -3.441 1.00 35.31 H new ATOM 0 HB3 TRP B 15 3.849 -2.649 -3.083 1.00 35.31 H new ATOM 0 HD1 TRP B 15 2.303 0.266 -2.248 1.00 13.32 H new ATOM 0 HE1 TRP B 15 1.323 0.413 0.142 1.00 12.32 H new ATOM 0 HE3 TRP B 15 2.057 -4.735 -1.233 1.00 31.22 H new ATOM 0 HZ2 TRP B 15 0.561 -1.398 2.156 1.00 2.52 H new ATOM 0 HZ3 TRP B 15 1.188 -5.456 0.955 1.00 12.51 H new ATOM 0 HH2 TRP B 15 0.447 -3.806 2.626 1.00 34.02 H new ATOM 1275 N LYS B 16 4.948 -0.796 -4.525 1.00 51.21 N ATOM 1276 CA LYS B 16 6.067 0.138 -4.504 1.00 12.34 C ATOM 1277 C LYS B 16 6.065 1.019 -5.750 1.00 73.14 C ATOM 1278 O LYS B 16 6.588 2.133 -5.737 1.00 33.25 O ATOM 1279 CB LYS B 16 7.392 -0.621 -4.406 1.00 62.41 C ATOM 1280 CG LYS B 16 7.707 -1.454 -5.637 1.00 64.12 C ATOM 1281 CD LYS B 16 8.907 -2.358 -5.407 1.00 75.35 C ATOM 1282 CE LYS B 16 10.213 -1.635 -5.701 1.00 62.34 C ATOM 1283 NZ LYS B 16 11.131 -2.465 -6.529 1.00 22.14 N ATOM 0 H LYS B 16 5.213 -1.768 -4.686 1.00 51.21 H new ATOM 0 HA LYS B 16 5.956 0.777 -3.628 1.00 12.34 H new ATOM 0 HB2 LYS B 16 8.199 0.093 -4.244 1.00 62.41 H new ATOM 0 HB3 LYS B 16 7.364 -1.273 -3.533 1.00 62.41 H new ATOM 0 HG2 LYS B 16 6.839 -2.059 -5.899 1.00 64.12 H new ATOM 0 HG3 LYS B 16 7.904 -0.795 -6.483 1.00 64.12 H new ATOM 0 HD2 LYS B 16 8.908 -2.708 -4.375 1.00 75.35 H new ATOM 0 HD3 LYS B 16 8.827 -3.240 -6.043 1.00 75.35 H new ATOM 0 HE2 LYS B 16 10.002 -0.700 -6.219 1.00 62.34 H new ATOM 0 HE3 LYS B 16 10.704 -1.376 -4.763 1.00 62.34 H new ATOM 0 HZ1 LYS B 16 12.009 -1.938 -6.708 1.00 22.14 H new ATOM 0 HZ2 LYS B 16 11.353 -3.346 -6.024 1.00 22.14 H new ATOM 0 HZ3 LYS B 16 10.673 -2.691 -7.435 1.00 22.14 H new ATOM 1297 N LYS B 17 5.470 0.513 -6.825 1.00 64.34 N ATOM 1298 CA LYS B 17 5.397 1.253 -8.079 1.00 62.33 C ATOM 1299 C LYS B 17 4.356 2.364 -7.994 1.00 63.24 C ATOM 1300 O LYS B 17 4.684 3.547 -8.103 1.00 31.41 O ATOM 1301 CB LYS B 17 5.056 0.308 -9.234 1.00 75.52 C ATOM 1302 CG LYS B 17 5.454 0.845 -10.597 1.00 52.52 C ATOM 1303 CD LYS B 17 6.010 -0.252 -11.489 1.00 73.43 C ATOM 1304 CE LYS B 17 5.538 -0.094 -12.927 1.00 32.13 C ATOM 1305 NZ LYS B 17 5.239 -1.408 -13.560 1.00 30.44 N ATOM 0 H LYS B 17 5.031 -0.407 -6.853 1.00 64.34 H new ATOM 0 HA LYS B 17 6.372 1.705 -8.263 1.00 62.33 H new ATOM 0 HB2 LYS B 17 5.554 -0.647 -9.070 1.00 75.52 H new ATOM 0 HB3 LYS B 17 3.984 0.113 -9.229 1.00 75.52 H new ATOM 0 HG2 LYS B 17 4.588 1.301 -11.076 1.00 52.52 H new ATOM 0 HG3 LYS B 17 6.201 1.630 -10.476 1.00 52.52 H new ATOM 0 HD2 LYS B 17 7.099 -0.230 -11.458 1.00 73.43 H new ATOM 0 HD3 LYS B 17 5.699 -1.225 -11.108 1.00 73.43 H new ATOM 0 HE2 LYS B 17 4.646 0.531 -12.950 1.00 32.13 H new ATOM 0 HE3 LYS B 17 6.304 0.422 -13.506 1.00 32.13 H new ATOM 0 HZ1 LYS B 17 4.921 -1.257 -14.539 1.00 30.44 H new ATOM 0 HZ2 LYS B 17 6.097 -1.996 -13.562 1.00 30.44 H new ATOM 0 HZ3 LYS B 17 4.490 -1.890 -13.023 1.00 30.44 H new ATOM 1319 N LEU B 18 3.099 1.978 -7.798 1.00 5.22 N ATOM 1320 CA LEU B 18 2.010 2.943 -7.697 1.00 53.22 C ATOM 1321 C LEU B 18 2.262 3.932 -6.564 1.00 71.31 C ATOM 1322 O LEU B 18 1.746 5.050 -6.575 1.00 64.21 O ATOM 1323 CB LEU B 18 0.681 2.220 -7.471 1.00 62.31 C ATOM 1324 CG LEU B 18 0.047 1.580 -8.707 1.00 70.03 C ATOM 1325 CD1 LEU B 18 -0.597 0.249 -8.349 1.00 1.43 C ATOM 1326 CD2 LEU B 18 -0.977 2.519 -9.328 1.00 4.15 C ATOM 0 H LEU B 18 2.810 1.004 -7.706 1.00 5.22 H new ATOM 0 HA LEU B 18 1.961 3.497 -8.634 1.00 53.22 H new ATOM 0 HB2 LEU B 18 0.836 1.443 -6.723 1.00 62.31 H new ATOM 0 HB3 LEU B 18 -0.030 2.931 -7.050 1.00 62.31 H new ATOM 0 HG LEU B 18 0.833 1.395 -9.439 1.00 70.03 H new ATOM 0 HD11 LEU B 18 -1.043 -0.191 -9.241 1.00 1.43 H new ATOM 0 HD12 LEU B 18 0.160 -0.426 -7.951 1.00 1.43 H new ATOM 0 HD13 LEU B 18 -1.371 0.409 -7.598 1.00 1.43 H new ATOM 0 HD21 LEU B 18 -1.418 2.047 -10.206 1.00 4.15 H new ATOM 0 HD22 LEU B 18 -1.760 2.736 -8.601 1.00 4.15 H new ATOM 0 HD23 LEU B 18 -0.488 3.448 -9.622 1.00 4.15 H new ATOM 1338 N ALA B 19 3.059 3.514 -5.586 1.00 3.21 N ATOM 1339 CA ALA B 19 3.384 4.364 -4.448 1.00 75.34 C ATOM 1340 C ALA B 19 4.365 5.461 -4.844 1.00 3.41 C ATOM 1341 O ALA B 19 4.619 6.386 -4.073 1.00 3.40 O ATOM 1342 CB ALA B 19 3.952 3.529 -3.311 1.00 15.24 C ATOM 0 H ALA B 19 3.492 2.591 -5.559 1.00 3.21 H new ATOM 0 HA ALA B 19 2.465 4.842 -4.109 1.00 75.34 H new ATOM 0 HB1 ALA B 19 4.190 4.177 -2.468 1.00 15.24 H new ATOM 0 HB2 ALA B 19 3.216 2.787 -3.002 1.00 15.24 H new ATOM 0 HB3 ALA B 19 4.857 3.024 -3.648 1.00 15.24 H new ATOM 1348 N GLU B 20 4.914 5.351 -6.050 1.00 41.40 N ATOM 1349 CA GLU B 20 5.870 6.334 -6.546 1.00 43.43 C ATOM 1350 C GLU B 20 5.169 7.641 -6.906 1.00 55.21 C ATOM 1351 O GLU B 20 5.595 8.719 -6.493 1.00 5.33 O ATOM 1352 CB GLU B 20 6.610 5.787 -7.768 1.00 45.44 C ATOM 1353 CG GLU B 20 7.691 6.717 -8.292 1.00 43.12 C ATOM 1354 CD GLU B 20 9.068 6.082 -8.266 1.00 44.14 C ATOM 1355 OE1 GLU B 20 9.991 6.691 -7.684 1.00 64.14 O ATOM 1356 OE2 GLU B 20 9.224 4.978 -8.829 1.00 52.13 O ATOM 0 H GLU B 20 4.713 4.592 -6.701 1.00 41.40 H new ATOM 0 HA GLU B 20 6.591 6.534 -5.753 1.00 43.43 H new ATOM 0 HB2 GLU B 20 7.061 4.829 -7.510 1.00 45.44 H new ATOM 0 HB3 GLU B 20 5.889 5.597 -8.563 1.00 45.44 H new ATOM 0 HG2 GLU B 20 7.449 7.010 -9.314 1.00 43.12 H new ATOM 0 HG3 GLU B 20 7.703 7.628 -7.693 1.00 43.12 H new ATOM 1364 N GLU B 21 4.091 7.535 -7.677 1.00 12.41 N ATOM 1365 CA GLU B 21 3.332 8.709 -8.093 1.00 54.13 C ATOM 1366 C GLU B 21 2.925 9.550 -6.885 1.00 3.04 C ATOM 1367 O GLU B 21 2.863 10.776 -6.963 1.00 14.34 O ATOM 1368 CB GLU B 21 2.088 8.287 -8.877 1.00 55.25 C ATOM 1369 CG GLU B 21 1.130 7.420 -8.078 1.00 73.12 C ATOM 1370 CD GLU B 21 -0.214 8.087 -7.852 1.00 10.34 C ATOM 1371 OE1 GLU B 21 -1.183 7.718 -8.548 1.00 1.41 O ATOM 1372 OE2 GLU B 21 -0.295 8.979 -6.981 1.00 33.52 O ATOM 0 H GLU B 21 3.724 6.650 -8.026 1.00 12.41 H new ATOM 0 HA GLU B 21 3.971 9.314 -8.737 1.00 54.13 H new ATOM 0 HB2 GLU B 21 1.561 9.180 -9.214 1.00 55.25 H new ATOM 0 HB3 GLU B 21 2.398 7.744 -9.769 1.00 55.25 H new ATOM 0 HG2 GLU B 21 0.979 6.476 -8.601 1.00 73.12 H new ATOM 0 HG3 GLU B 21 1.580 7.182 -7.114 1.00 73.12 H new ATOM 1380 N ALA B 22 2.648 8.880 -5.771 1.00 31.15 N ATOM 1381 CA ALA B 22 2.250 9.564 -4.547 1.00 1.02 C ATOM 1382 C ALA B 22 3.456 10.175 -3.842 1.00 41.24 C ATOM 1383 O ALA B 22 3.345 11.214 -3.193 1.00 13.31 O ATOM 1384 CB ALA B 22 1.524 8.602 -3.619 1.00 55.24 C ATOM 0 H ALA B 22 2.692 7.864 -5.691 1.00 31.15 H new ATOM 0 HA ALA B 22 1.572 10.374 -4.816 1.00 1.02 H new ATOM 0 HB1 ALA B 22 1.232 9.125 -2.708 1.00 55.24 H new ATOM 0 HB2 ALA B 22 0.634 8.217 -4.117 1.00 55.24 H new ATOM 0 HB3 ALA B 22 2.185 7.773 -3.365 1.00 55.24 H new ATOM 1390 N ALA B 23 4.606 9.523 -3.974 1.00 43.11 N ATOM 1391 CA ALA B 23 5.833 10.004 -3.351 1.00 51.42 C ATOM 1392 C ALA B 23 6.347 11.260 -4.048 1.00 33.13 C ATOM 1393 O ALA B 23 6.710 12.240 -3.396 1.00 23.44 O ATOM 1394 CB ALA B 23 6.895 8.916 -3.368 1.00 34.31 C ATOM 0 H ALA B 23 4.714 8.660 -4.507 1.00 43.11 H new ATOM 0 HA ALA B 23 5.609 10.261 -2.316 1.00 51.42 H new ATOM 0 HB1 ALA B 23 7.806 9.289 -2.900 1.00 34.31 H new ATOM 0 HB2 ALA B 23 6.534 8.047 -2.818 1.00 34.31 H new ATOM 0 HB3 ALA B 23 7.107 8.631 -4.398 1.00 34.31 H new ATOM 1400 N LYS B 24 6.377 11.223 -5.375 1.00 52.04 N ATOM 1401 CA LYS B 24 6.846 12.358 -6.161 1.00 4.43 C ATOM 1402 C LYS B 24 5.890 13.540 -6.036 1.00 14.24 C ATOM 1403 O LYS B 24 6.317 14.695 -5.996 1.00 73.03 O ATOM 1404 CB LYS B 24 6.992 11.961 -7.632 1.00 21.14 C ATOM 1405 CG LYS B 24 5.722 11.386 -8.236 1.00 33.02 C ATOM 1406 CD LYS B 24 4.961 12.431 -9.032 1.00 54.34 C ATOM 1407 CE LYS B 24 5.663 12.756 -10.341 1.00 1.31 C ATOM 1408 NZ LYS B 24 4.961 12.158 -11.511 1.00 73.35 N ATOM 0 H LYS B 24 6.082 10.419 -5.929 1.00 52.04 H new ATOM 0 HA LYS B 24 7.819 12.658 -5.773 1.00 4.43 H new ATOM 0 HB2 LYS B 24 7.294 12.836 -8.207 1.00 21.14 H new ATOM 0 HB3 LYS B 24 7.793 11.227 -7.724 1.00 21.14 H new ATOM 0 HG2 LYS B 24 5.974 10.546 -8.884 1.00 33.02 H new ATOM 0 HG3 LYS B 24 5.085 10.996 -7.442 1.00 33.02 H new ATOM 0 HD2 LYS B 24 3.953 12.070 -9.238 1.00 54.34 H new ATOM 0 HD3 LYS B 24 4.859 13.339 -8.438 1.00 54.34 H new ATOM 0 HE2 LYS B 24 5.718 13.838 -10.465 1.00 1.31 H new ATOM 0 HE3 LYS B 24 6.688 12.387 -10.305 1.00 1.31 H new ATOM 0 HZ1 LYS B 24 5.471 12.403 -12.384 1.00 73.35 H new ATOM 0 HZ2 LYS B 24 4.930 11.124 -11.406 1.00 73.35 H new ATOM 0 HZ3 LYS B 24 3.991 12.530 -11.561 1.00 73.35 H new ATOM 1422 N LEU B 25 4.597 13.245 -5.973 1.00 21.54 N ATOM 1423 CA LEU B 25 3.580 14.283 -5.850 1.00 14.51 C ATOM 1424 C LEU B 25 3.519 14.819 -4.423 1.00 41.50 C ATOM 1425 O LEU B 25 3.322 16.016 -4.206 1.00 31.43 O ATOM 1426 CB LEU B 25 2.212 13.737 -6.261 1.00 61.31 C ATOM 1427 CG LEU B 25 1.883 13.802 -7.753 1.00 53.44 C ATOM 1428 CD1 LEU B 25 0.486 13.263 -8.016 1.00 35.35 C ATOM 1429 CD2 LEU B 25 2.009 15.231 -8.264 1.00 21.45 C ATOM 0 H LEU B 25 4.228 12.295 -6.005 1.00 21.54 H new ATOM 0 HA LEU B 25 3.851 15.103 -6.515 1.00 14.51 H new ATOM 0 HB2 LEU B 25 2.147 12.697 -5.940 1.00 61.31 H new ATOM 0 HB3 LEU B 25 1.445 14.287 -5.716 1.00 61.31 H new ATOM 0 HG LEU B 25 2.598 13.179 -8.291 1.00 53.44 H new ATOM 0 HD11 LEU B 25 0.270 13.317 -9.083 1.00 35.35 H new ATOM 0 HD12 LEU B 25 0.428 12.226 -7.686 1.00 35.35 H new ATOM 0 HD13 LEU B 25 -0.243 13.859 -7.467 1.00 35.35 H new ATOM 0 HD21 LEU B 25 1.771 15.259 -9.327 1.00 21.45 H new ATOM 0 HD22 LEU B 25 1.317 15.874 -7.720 1.00 21.45 H new ATOM 0 HD23 LEU B 25 3.029 15.584 -8.111 1.00 21.45 H new ATOM 1441 N LEU B 26 3.690 13.927 -3.454 1.00 10.22 N ATOM 1442 CA LEU B 26 3.657 14.311 -2.047 1.00 71.42 C ATOM 1443 C LEU B 26 4.576 15.499 -1.784 1.00 32.34 C ATOM 1444 O LEU B 26 4.186 16.464 -1.130 1.00 50.30 O ATOM 1445 CB LEU B 26 4.067 13.129 -1.167 1.00 73.33 C ATOM 1446 CG LEU B 26 2.923 12.324 -0.548 1.00 35.25 C ATOM 1447 CD1 LEU B 26 3.351 10.884 -0.311 1.00 1.43 C ATOM 1448 CD2 LEU B 26 2.462 12.966 0.752 1.00 71.05 C ATOM 0 H LEU B 26 3.853 12.933 -3.616 1.00 10.22 H new ATOM 0 HA LEU B 26 2.637 14.604 -1.800 1.00 71.42 H new ATOM 0 HB2 LEU B 26 4.679 12.453 -1.764 1.00 73.33 H new ATOM 0 HB3 LEU B 26 4.699 13.503 -0.361 1.00 73.33 H new ATOM 0 HG LEU B 26 2.086 12.322 -1.246 1.00 35.25 H new ATOM 0 HD11 LEU B 26 2.524 10.327 0.130 1.00 1.43 H new ATOM 0 HD12 LEU B 26 3.632 10.427 -1.260 1.00 1.43 H new ATOM 0 HD13 LEU B 26 4.204 10.865 0.367 1.00 1.43 H new ATOM 0 HD21 LEU B 26 1.648 12.380 1.178 1.00 71.05 H new ATOM 0 HD22 LEU B 26 3.293 12.999 1.456 1.00 71.05 H new ATOM 0 HD23 LEU B 26 2.114 13.980 0.554 1.00 71.05 H new ATOM 1460 N GLU B 27 5.799 15.420 -2.301 1.00 62.23 N ATOM 1461 CA GLU B 27 6.773 16.490 -2.122 1.00 4.42 C ATOM 1462 C GLU B 27 6.844 17.374 -3.364 1.00 41.44 C ATOM 1463 O GLU B 27 7.753 18.189 -3.508 1.00 3.52 O ATOM 1464 CB GLU B 27 8.155 15.908 -1.819 1.00 65.41 C ATOM 1465 CG GLU B 27 8.130 14.787 -0.793 1.00 32.42 C ATOM 1466 CD GLU B 27 9.145 14.990 0.316 1.00 73.31 C ATOM 1467 OE1 GLU B 27 8.892 15.831 1.204 1.00 21.20 O ATOM 1468 OE2 GLU B 27 10.191 14.308 0.296 1.00 54.23 O ATOM 0 H GLU B 27 6.138 14.627 -2.846 1.00 62.23 H new ATOM 0 HA GLU B 27 6.451 17.101 -1.279 1.00 4.42 H new ATOM 0 HB2 GLU B 27 8.593 15.533 -2.744 1.00 65.41 H new ATOM 0 HB3 GLU B 27 8.805 16.705 -1.458 1.00 65.41 H new ATOM 0 HG2 GLU B 27 7.132 14.718 -0.359 1.00 32.42 H new ATOM 0 HG3 GLU B 27 8.327 13.838 -1.292 1.00 32.42 H new ATOM 1476 N GLY B 28 5.876 17.205 -4.260 1.00 71.24 N ATOM 1477 CA GLY B 28 5.845 17.993 -5.478 1.00 11.01 C ATOM 1478 C GLY B 28 5.766 19.482 -5.204 1.00 20.42 C ATOM 1479 O GLY B 28 5.996 20.297 -6.096 1.00 52.43 O ATOM 0 H GLY B 28 5.112 16.536 -4.164 1.00 71.24 H new ATOM 0 HA2 GLY B 28 6.738 17.782 -6.066 1.00 11.01 H new ATOM 0 HA3 GLY B 28 4.988 17.692 -6.080 1.00 11.01 H new ATOM 1483 N GLY B 29 5.439 19.838 -3.965 1.00 23.44 N ATOM 1484 CA GLY B 29 5.334 21.238 -3.598 1.00 23.24 C ATOM 1485 C GLY B 29 4.094 21.531 -2.777 1.00 11.55 C ATOM 1486 O GLY B 29 3.403 22.520 -3.014 1.00 1.33 O ATOM 0 H GLY B 29 5.245 19.181 -3.209 1.00 23.44 H new ATOM 0 HA2 GLY B 29 6.218 21.529 -3.031 1.00 23.24 H new ATOM 0 HA3 GLY B 29 5.320 21.847 -4.502 1.00 23.24 H new ATOM 1490 N GLY B 30 3.810 20.666 -1.808 1.00 11.52 N ATOM 1491 CA GLY B 30 2.645 20.854 -0.965 1.00 74.13 C ATOM 1492 C GLY B 30 2.619 19.896 0.210 1.00 61.24 C ATOM 1493 O GLY B 30 1.712 19.073 0.329 1.00 15.14 O ATOM 0 H GLY B 30 4.366 19.839 -1.592 1.00 11.52 H new ATOM 0 HA2 GLY B 30 2.630 21.879 -0.595 1.00 74.13 H new ATOM 0 HA3 GLY B 30 1.743 20.717 -1.561 1.00 74.13 H new ATOM 1497 N GLY B 31 3.619 20.002 1.081 1.00 64.14 N ATOM 1498 CA GLY B 31 3.688 19.130 2.239 1.00 11.32 C ATOM 1499 C GLY B 31 4.780 19.541 3.208 1.00 52.41 C ATOM 1500 O GLY B 31 4.821 20.685 3.660 1.00 43.30 O ATOM 0 H GLY B 31 4.381 20.675 1.005 1.00 64.14 H new ATOM 0 HA2 GLY B 31 2.727 19.138 2.754 1.00 11.32 H new ATOM 0 HA3 GLY B 31 3.865 18.106 1.909 1.00 11.32 H new ATOM 1504 N GLY B 32 5.666 18.604 3.531 1.00 33.21 N ATOM 1505 CA GLY B 32 6.750 18.894 4.452 1.00 73.50 C ATOM 1506 C GLY B 32 6.253 19.408 5.789 1.00 45.43 C ATOM 1507 O GLY B 32 6.948 20.160 6.470 1.00 53.01 O ATOM 0 H GLY B 32 5.653 17.650 3.172 1.00 33.21 H new ATOM 0 HA2 GLY B 32 7.340 17.991 4.610 1.00 73.50 H new ATOM 0 HA3 GLY B 32 7.414 19.634 4.006 1.00 73.50 H new ATOM 1511 N GLY B 33 5.042 19.004 6.164 1.00 1.34 N ATOM 1512 CA GLY B 33 4.472 19.440 7.425 1.00 13.24 C ATOM 1513 C GLY B 33 5.022 18.668 8.608 1.00 14.24 C ATOM 1514 O GLY B 33 4.268 18.049 9.358 1.00 24.14 O ATOM 0 H GLY B 33 4.446 18.383 5.617 1.00 1.34 H new ATOM 0 HA2 GLY B 33 4.673 20.502 7.563 1.00 13.24 H new ATOM 0 HA3 GLY B 33 3.389 19.323 7.390 1.00 13.24 H new ATOM 1518 N GLY B 34 6.341 18.703 8.775 1.00 21.11 N ATOM 1519 CA GLY B 34 6.968 17.995 9.876 1.00 43.44 C ATOM 1520 C GLY B 34 7.410 16.598 9.490 1.00 60.42 C ATOM 1521 O GLY B 34 8.278 16.013 10.135 1.00 31.02 O ATOM 0 H GLY B 34 6.986 19.209 8.168 1.00 21.11 H new ATOM 0 HA2 GLY B 34 7.831 18.562 10.224 1.00 43.44 H new ATOM 0 HA3 GLY B 34 6.269 17.934 10.710 1.00 43.44 H new ATOM 1525 N GLY B 35 6.808 16.058 8.434 1.00 42.50 N ATOM 1526 CA GLY B 35 7.156 14.725 7.982 1.00 23.44 C ATOM 1527 C GLY B 35 6.220 13.665 8.528 1.00 75.53 C ATOM 1528 O GLY B 35 6.123 12.569 7.977 1.00 31.11 O ATOM 0 H GLY B 35 6.085 16.521 7.884 1.00 42.50 H new ATOM 0 HA2 GLY B 35 7.135 14.697 6.893 1.00 23.44 H new ATOM 0 HA3 GLY B 35 8.177 14.496 8.287 1.00 23.44 H new ATOM 1532 N GLU B 36 5.530 13.991 9.617 1.00 54.40 N ATOM 1533 CA GLU B 36 4.599 13.057 10.239 1.00 33.12 C ATOM 1534 C GLU B 36 3.522 12.621 9.250 1.00 25.34 C ATOM 1535 O GLU B 36 3.124 11.455 9.222 1.00 3.24 O ATOM 1536 CB GLU B 36 3.948 13.694 11.469 1.00 2.13 C ATOM 1537 CG GLU B 36 2.842 12.849 12.079 1.00 5.25 C ATOM 1538 CD GLU B 36 2.375 13.381 13.420 1.00 64.43 C ATOM 1539 OE1 GLU B 36 2.309 12.587 14.381 1.00 35.33 O ATOM 1540 OE2 GLU B 36 2.073 14.590 13.507 1.00 23.11 O ATOM 0 H GLU B 36 5.598 14.894 10.086 1.00 54.40 H new ATOM 0 HA GLU B 36 5.162 12.176 10.549 1.00 33.12 H new ATOM 0 HB2 GLU B 36 4.714 13.874 12.223 1.00 2.13 H new ATOM 0 HB3 GLU B 36 3.540 14.666 11.191 1.00 2.13 H new ATOM 0 HG2 GLU B 36 1.996 12.813 11.392 1.00 5.25 H new ATOM 0 HG3 GLU B 36 3.197 11.826 12.202 1.00 5.25 H new ATOM 1548 N LEU B 37 3.056 13.563 8.438 1.00 40.43 N ATOM 1549 CA LEU B 37 2.025 13.279 7.446 1.00 23.44 C ATOM 1550 C LEU B 37 2.492 12.204 6.469 1.00 30.33 C ATOM 1551 O LEU B 37 1.774 11.243 6.198 1.00 74.00 O ATOM 1552 CB LEU B 37 1.657 14.552 6.683 1.00 71.11 C ATOM 1553 CG LEU B 37 0.812 14.359 5.423 1.00 54.42 C ATOM 1554 CD1 LEU B 37 -0.415 13.514 5.728 1.00 24.44 C ATOM 1555 CD2 LEU B 37 0.403 15.706 4.844 1.00 34.21 C ATOM 0 H LEU B 37 3.376 14.531 8.447 1.00 40.43 H new ATOM 0 HA LEU B 37 1.143 12.911 7.970 1.00 23.44 H new ATOM 0 HB2 LEU B 37 1.118 15.214 7.360 1.00 71.11 H new ATOM 0 HB3 LEU B 37 2.578 15.063 6.404 1.00 71.11 H new ATOM 0 HG LEU B 37 1.414 13.834 4.681 1.00 54.42 H new ATOM 0 HD11 LEU B 37 -1.004 13.387 4.820 1.00 24.44 H new ATOM 0 HD12 LEU B 37 -0.102 12.537 6.097 1.00 24.44 H new ATOM 0 HD13 LEU B 37 -1.020 14.011 6.486 1.00 24.44 H new ATOM 0 HD21 LEU B 37 -0.198 15.550 3.948 1.00 34.21 H new ATOM 0 HD22 LEU B 37 -0.182 16.257 5.581 1.00 34.21 H new ATOM 0 HD23 LEU B 37 1.295 16.278 4.588 1.00 34.21 H new ATOM 1567 N MET B 38 3.702 12.373 5.946 1.00 1.42 N ATOM 1568 CA MET B 38 4.267 11.417 5.001 1.00 70.30 C ATOM 1569 C MET B 38 4.520 10.072 5.675 1.00 70.24 C ATOM 1570 O MET B 38 4.414 9.020 5.045 1.00 71.44 O ATOM 1571 CB MET B 38 5.571 11.958 4.412 1.00 33.54 C ATOM 1572 CG MET B 38 6.345 10.929 3.603 1.00 40.23 C ATOM 1573 SD MET B 38 7.505 11.685 2.448 1.00 12.23 S ATOM 1574 CE MET B 38 6.379 12.420 1.266 1.00 73.34 C ATOM 0 H MET B 38 4.310 13.163 6.161 1.00 1.42 H new ATOM 0 HA MET B 38 3.547 11.271 4.196 1.00 70.30 H new ATOM 0 HB2 MET B 38 5.345 12.814 3.776 1.00 33.54 H new ATOM 0 HB3 MET B 38 6.203 12.321 5.222 1.00 33.54 H new ATOM 0 HG2 MET B 38 6.890 10.273 4.282 1.00 40.23 H new ATOM 0 HG3 MET B 38 5.643 10.304 3.051 1.00 40.23 H new ATOM 0 HE1 MET B 38 6.609 12.051 0.266 1.00 73.34 H new ATOM 0 HE2 MET B 38 5.354 12.153 1.525 1.00 73.34 H new ATOM 0 HE3 MET B 38 6.487 13.504 1.286 1.00 73.34 H new ATOM 1584 N LYS B 39 4.854 10.113 6.961 1.00 44.02 N ATOM 1585 CA LYS B 39 5.120 8.899 7.722 1.00 32.45 C ATOM 1586 C LYS B 39 3.910 7.969 7.704 1.00 13.05 C ATOM 1587 O LYS B 39 4.054 6.747 7.759 1.00 23.40 O ATOM 1588 CB LYS B 39 5.488 9.247 9.166 1.00 4.43 C ATOM 1589 CG LYS B 39 5.819 8.034 10.019 1.00 4.53 C ATOM 1590 CD LYS B 39 5.097 8.079 11.354 1.00 74.31 C ATOM 1591 CE LYS B 39 5.079 6.713 12.024 1.00 60.11 C ATOM 1592 NZ LYS B 39 4.655 6.799 13.449 1.00 71.43 N ATOM 0 H LYS B 39 4.947 10.975 7.498 1.00 44.02 H new ATOM 0 HA LYS B 39 5.959 8.384 7.254 1.00 32.45 H new ATOM 0 HB2 LYS B 39 6.344 9.922 9.161 1.00 4.43 H new ATOM 0 HB3 LYS B 39 4.659 9.787 9.623 1.00 4.43 H new ATOM 0 HG2 LYS B 39 5.542 7.125 9.485 1.00 4.53 H new ATOM 0 HG3 LYS B 39 6.895 7.989 10.187 1.00 4.53 H new ATOM 0 HD2 LYS B 39 5.586 8.800 12.009 1.00 74.31 H new ATOM 0 HD3 LYS B 39 4.074 8.426 11.204 1.00 74.31 H new ATOM 0 HE2 LYS B 39 4.402 6.052 11.483 1.00 60.11 H new ATOM 0 HE3 LYS B 39 6.072 6.268 11.967 1.00 60.11 H new ATOM 0 HZ1 LYS B 39 4.656 5.848 13.869 1.00 71.43 H new ATOM 0 HZ2 LYS B 39 5.316 7.409 13.972 1.00 71.43 H new ATOM 0 HZ3 LYS B 39 3.697 7.200 13.503 1.00 71.43 H new ATOM 1606 N LEU B 40 2.722 8.555 7.628 1.00 62.35 N ATOM 1607 CA LEU B 40 1.486 7.779 7.602 1.00 42.22 C ATOM 1608 C LEU B 40 1.372 6.981 6.307 1.00 64.23 C ATOM 1609 O LEU B 40 1.306 5.751 6.328 1.00 44.25 O ATOM 1610 CB LEU B 40 0.277 8.703 7.752 1.00 74.11 C ATOM 1611 CG LEU B 40 -0.045 9.160 9.176 1.00 24.10 C ATOM 1612 CD1 LEU B 40 -1.248 10.090 9.179 1.00 11.42 C ATOM 1613 CD2 LEU B 40 -0.296 7.959 10.077 1.00 53.13 C ATOM 0 H LEU B 40 2.587 9.565 7.583 1.00 62.35 H new ATOM 0 HA LEU B 40 1.507 7.080 8.438 1.00 42.22 H new ATOM 0 HB2 LEU B 40 0.442 9.587 7.136 1.00 74.11 H new ATOM 0 HB3 LEU B 40 -0.598 8.193 7.349 1.00 74.11 H new ATOM 0 HG LEU B 40 0.813 9.708 9.564 1.00 24.10 H new ATOM 0 HD11 LEU B 40 -1.462 10.405 10.200 1.00 11.42 H new ATOM 0 HD12 LEU B 40 -1.032 10.966 8.567 1.00 11.42 H new ATOM 0 HD13 LEU B 40 -2.113 9.567 8.772 1.00 11.42 H new ATOM 0 HD21 LEU B 40 -0.524 8.302 11.086 1.00 53.13 H new ATOM 0 HD22 LEU B 40 -1.138 7.384 9.691 1.00 53.13 H new ATOM 0 HD23 LEU B 40 0.593 7.329 10.100 1.00 53.13 H new ATOM 1625 N CYS B 41 1.352 7.688 5.182 1.00 25.34 N ATOM 1626 CA CYS B 41 1.248 7.045 3.876 1.00 72.14 C ATOM 1627 C CYS B 41 2.478 6.191 3.591 1.00 30.52 C ATOM 1628 O CYS B 41 2.421 5.249 2.802 1.00 23.51 O ATOM 1629 CB CYS B 41 1.076 8.096 2.779 1.00 15.52 C ATOM 1630 SG CYS B 41 2.563 9.073 2.455 1.00 1.55 S ATOM 0 H CYS B 41 1.406 8.706 5.148 1.00 25.34 H new ATOM 0 HA CYS B 41 0.372 6.396 3.887 1.00 72.14 H new ATOM 0 HB2 CYS B 41 0.773 7.598 1.858 1.00 15.52 H new ATOM 0 HB3 CYS B 41 0.266 8.769 3.059 1.00 15.52 H new ATOM 0 HG CYS B 41 3.327 9.061 3.506 1.00 1.55 H new ATOM 1636 N GLU B 42 3.589 6.526 4.239 1.00 14.12 N ATOM 1637 CA GLU B 42 4.834 5.791 4.053 1.00 65.42 C ATOM 1638 C GLU B 42 4.711 4.367 4.590 1.00 40.25 C ATOM 1639 O GLU B 42 5.413 3.462 4.144 1.00 30.04 O ATOM 1640 CB GLU B 42 5.988 6.512 4.750 1.00 0.14 C ATOM 1641 CG GLU B 42 7.283 5.717 4.765 1.00 4.52 C ATOM 1642 CD GLU B 42 8.411 6.452 5.464 1.00 23.20 C ATOM 1643 OE1 GLU B 42 8.118 7.267 6.363 1.00 13.15 O ATOM 1644 OE2 GLU B 42 9.585 6.211 5.111 1.00 13.00 O ATOM 0 H GLU B 42 3.652 7.302 4.898 1.00 14.12 H new ATOM 0 HA GLU B 42 5.040 5.742 2.984 1.00 65.42 H new ATOM 0 HB2 GLU B 42 6.163 7.466 4.252 1.00 0.14 H new ATOM 0 HB3 GLU B 42 5.698 6.737 5.776 1.00 0.14 H new ATOM 0 HG2 GLU B 42 7.113 4.762 5.263 1.00 4.52 H new ATOM 0 HG3 GLU B 42 7.580 5.494 3.740 1.00 4.52 H new ATOM 1652 N GLU B 43 3.812 4.181 5.552 1.00 24.33 N ATOM 1653 CA GLU B 43 3.597 2.869 6.152 1.00 23.44 C ATOM 1654 C GLU B 43 3.287 1.826 5.081 1.00 74.14 C ATOM 1655 O GLU B 43 3.821 0.717 5.107 1.00 71.02 O ATOM 1656 CB GLU B 43 2.455 2.928 7.168 1.00 14.42 C ATOM 1657 CG GLU B 43 2.680 3.942 8.276 1.00 53.53 C ATOM 1658 CD GLU B 43 2.868 3.293 9.633 1.00 51.12 C ATOM 1659 OE1 GLU B 43 1.962 3.422 10.483 1.00 14.43 O ATOM 1660 OE2 GLU B 43 3.921 2.656 9.845 1.00 52.00 O ATOM 0 H GLU B 43 3.222 4.921 5.932 1.00 24.33 H new ATOM 0 HA GLU B 43 4.514 2.578 6.665 1.00 23.44 H new ATOM 0 HB2 GLU B 43 1.529 3.171 6.647 1.00 14.42 H new ATOM 0 HB3 GLU B 43 2.323 1.941 7.611 1.00 14.42 H new ATOM 0 HG2 GLU B 43 3.558 4.543 8.040 1.00 53.53 H new ATOM 0 HG3 GLU B 43 1.830 4.623 8.318 1.00 53.53 H new ATOM 1668 N ALA B 44 2.420 2.190 4.143 1.00 3.11 N ATOM 1669 CA ALA B 44 2.039 1.287 3.064 1.00 45.43 C ATOM 1670 C ALA B 44 3.268 0.713 2.367 1.00 53.41 C ATOM 1671 O ALA B 44 3.329 -0.481 2.081 1.00 32.53 O ATOM 1672 CB ALA B 44 1.151 2.009 2.061 1.00 41.44 C ATOM 0 H ALA B 44 1.968 3.104 4.108 1.00 3.11 H new ATOM 0 HA ALA B 44 1.480 0.458 3.498 1.00 45.43 H new ATOM 0 HB1 ALA B 44 0.874 1.323 1.261 1.00 41.44 H new ATOM 0 HB2 ALA B 44 0.251 2.365 2.562 1.00 41.44 H new ATOM 0 HB3 ALA B 44 1.692 2.857 1.641 1.00 41.44 H new ATOM 1678 N ALA B 45 4.245 1.574 2.098 1.00 31.31 N ATOM 1679 CA ALA B 45 5.473 1.151 1.436 1.00 54.41 C ATOM 1680 C ALA B 45 6.384 0.399 2.400 1.00 33.53 C ATOM 1681 O ALA B 45 7.242 -0.379 1.981 1.00 4.04 O ATOM 1682 CB ALA B 45 6.199 2.354 0.852 1.00 54.54 C ATOM 0 H ALA B 45 4.210 2.567 2.328 1.00 31.31 H new ATOM 0 HA ALA B 45 5.205 0.473 0.626 1.00 54.41 H new ATOM 0 HB1 ALA B 45 7.114 2.023 0.361 1.00 54.54 H new ATOM 0 HB2 ALA B 45 5.556 2.850 0.125 1.00 54.54 H new ATOM 0 HB3 ALA B 45 6.448 3.052 1.651 1.00 54.54 H new ATOM 1688 N LYS B 46 6.194 0.634 3.694 1.00 2.44 N ATOM 1689 CA LYS B 46 6.998 -0.021 4.718 1.00 2.11 C ATOM 1690 C LYS B 46 6.558 -1.469 4.912 1.00 41.15 C ATOM 1691 O LYS B 46 7.382 -2.383 4.930 1.00 50.32 O ATOM 1692 CB LYS B 46 6.890 0.737 6.043 1.00 13.15 C ATOM 1693 CG LYS B 46 8.234 1.164 6.609 1.00 73.55 C ATOM 1694 CD LYS B 46 8.804 0.112 7.546 1.00 24.23 C ATOM 1695 CE LYS B 46 9.765 -0.817 6.821 1.00 30.14 C ATOM 1696 NZ LYS B 46 11.153 -0.702 7.350 1.00 74.40 N ATOM 0 H LYS B 46 5.489 1.274 4.058 1.00 2.44 H new ATOM 0 HA LYS B 46 8.036 -0.016 4.387 1.00 2.11 H new ATOM 0 HB2 LYS B 46 6.269 1.621 5.897 1.00 13.15 H new ATOM 0 HB3 LYS B 46 6.381 0.107 6.772 1.00 13.15 H new ATOM 0 HG2 LYS B 46 8.934 1.343 5.792 1.00 73.55 H new ATOM 0 HG3 LYS B 46 8.121 2.107 7.144 1.00 73.55 H new ATOM 0 HD2 LYS B 46 9.322 0.600 8.372 1.00 24.23 H new ATOM 0 HD3 LYS B 46 7.991 -0.470 7.979 1.00 24.23 H new ATOM 0 HE2 LYS B 46 9.422 -1.846 6.923 1.00 30.14 H new ATOM 0 HE3 LYS B 46 9.762 -0.584 5.756 1.00 30.14 H new ATOM 0 HZ1 LYS B 46 11.778 -1.351 6.830 1.00 74.40 H new ATOM 0 HZ2 LYS B 46 11.491 0.274 7.230 1.00 74.40 H new ATOM 0 HZ3 LYS B 46 11.161 -0.949 8.360 1.00 74.40 H new ATOM 1710 N LYS B 47 5.252 -1.671 5.055 1.00 12.10 N ATOM 1711 CA LYS B 47 4.700 -3.007 5.244 1.00 32.33 C ATOM 1712 C LYS B 47 4.997 -3.894 4.039 1.00 74.14 C ATOM 1713 O LYS B 47 5.288 -5.080 4.187 1.00 1.34 O ATOM 1714 CB LYS B 47 3.189 -2.930 5.474 1.00 53.10 C ATOM 1715 CG LYS B 47 2.802 -2.142 6.714 1.00 1.54 C ATOM 1716 CD LYS B 47 3.463 -2.704 7.961 1.00 31.12 C ATOM 1717 CE LYS B 47 4.655 -1.862 8.390 1.00 51.22 C ATOM 1718 NZ LYS B 47 5.050 -2.136 9.799 1.00 52.15 N ATOM 0 H LYS B 47 4.556 -0.925 5.044 1.00 12.10 H new ATOM 0 HA LYS B 47 5.173 -3.447 6.122 1.00 32.33 H new ATOM 0 HB2 LYS B 47 2.720 -2.473 4.602 1.00 53.10 H new ATOM 0 HB3 LYS B 47 2.791 -3.941 5.557 1.00 53.10 H new ATOM 0 HG2 LYS B 47 3.090 -1.098 6.587 1.00 1.54 H new ATOM 0 HG3 LYS B 47 1.719 -2.161 6.835 1.00 1.54 H new ATOM 0 HD2 LYS B 47 2.736 -2.746 8.772 1.00 31.12 H new ATOM 0 HD3 LYS B 47 3.788 -3.727 7.772 1.00 31.12 H new ATOM 0 HE2 LYS B 47 5.499 -2.065 7.730 1.00 51.22 H new ATOM 0 HE3 LYS B 47 4.411 -0.805 8.280 1.00 51.22 H new ATOM 0 HZ1 LYS B 47 5.866 -1.543 10.053 1.00 52.15 H new ATOM 0 HZ2 LYS B 47 4.254 -1.918 10.431 1.00 52.15 H new ATOM 0 HZ3 LYS B 47 5.307 -3.139 9.899 1.00 52.15 H new ATOM 1732 N ALA B 48 4.919 -3.310 2.847 1.00 34.24 N ATOM 1733 CA ALA B 48 5.184 -4.047 1.618 1.00 62.22 C ATOM 1734 C ALA B 48 6.658 -4.419 1.507 1.00 65.51 C ATOM 1735 O ALA B 48 6.996 -5.552 1.162 1.00 64.35 O ATOM 1736 CB ALA B 48 4.752 -3.228 0.410 1.00 61.53 C ATOM 0 H ALA B 48 4.675 -2.330 2.707 1.00 34.24 H new ATOM 0 HA ALA B 48 4.605 -4.970 1.645 1.00 62.22 H new ATOM 0 HB1 ALA B 48 4.955 -3.790 -0.502 1.00 61.53 H new ATOM 0 HB2 ALA B 48 3.685 -3.017 0.476 1.00 61.53 H new ATOM 0 HB3 ALA B 48 5.306 -2.290 0.389 1.00 61.53 H new ATOM 1742 N GLU B 49 7.530 -3.461 1.799 1.00 11.40 N ATOM 1743 CA GLU B 49 8.969 -3.690 1.730 1.00 52.15 C ATOM 1744 C GLU B 49 9.426 -4.616 2.854 1.00 10.53 C ATOM 1745 O GLU B 49 10.418 -5.331 2.716 1.00 70.14 O ATOM 1746 CB GLU B 49 9.723 -2.361 1.809 1.00 3.04 C ATOM 1747 CG GLU B 49 11.231 -2.510 1.684 1.00 45.55 C ATOM 1748 CD GLU B 49 11.682 -2.675 0.246 1.00 22.23 C ATOM 1749 OE1 GLU B 49 12.297 -1.733 -0.295 1.00 4.25 O ATOM 1750 OE2 GLU B 49 11.420 -3.747 -0.339 1.00 40.21 O ATOM 0 H GLU B 49 7.266 -2.518 2.086 1.00 11.40 H new ATOM 0 HA GLU B 49 9.191 -4.168 0.776 1.00 52.15 H new ATOM 0 HB2 GLU B 49 9.364 -1.702 1.019 1.00 3.04 H new ATOM 0 HB3 GLU B 49 9.491 -1.877 2.758 1.00 3.04 H new ATOM 0 HG2 GLU B 49 11.716 -1.634 2.115 1.00 45.55 H new ATOM 0 HG3 GLU B 49 11.557 -3.373 2.265 1.00 45.55 H new ATOM 1758 N GLU B 50 8.697 -4.594 3.965 1.00 15.50 N ATOM 1759 CA GLU B 50 9.030 -5.429 5.112 1.00 33.21 C ATOM 1760 C GLU B 50 8.689 -6.892 4.838 1.00 41.45 C ATOM 1761 O GLU B 50 9.506 -7.785 5.065 1.00 62.22 O ATOM 1762 CB GLU B 50 8.283 -4.945 6.358 1.00 23.34 C ATOM 1763 CG GLU B 50 8.525 -5.807 7.585 1.00 51.43 C ATOM 1764 CD GLU B 50 8.497 -5.007 8.873 1.00 33.52 C ATOM 1765 OE1 GLU B 50 9.157 -3.949 8.929 1.00 34.44 O ATOM 1766 OE2 GLU B 50 7.815 -5.440 9.826 1.00 33.11 O ATOM 0 H GLU B 50 7.873 -4.007 4.095 1.00 15.50 H new ATOM 0 HA GLU B 50 10.103 -5.350 5.286 1.00 33.21 H new ATOM 0 HB2 GLU B 50 8.586 -3.921 6.578 1.00 23.34 H new ATOM 0 HB3 GLU B 50 7.214 -4.923 6.145 1.00 23.34 H new ATOM 0 HG2 GLU B 50 7.767 -6.589 7.631 1.00 51.43 H new ATOM 0 HG3 GLU B 50 9.491 -6.304 7.491 1.00 51.43 H new ATOM 1774 N LEU B 51 7.476 -7.128 4.349 1.00 2.21 N ATOM 1775 CA LEU B 51 7.025 -8.481 4.044 1.00 44.20 C ATOM 1776 C LEU B 51 7.744 -9.030 2.816 1.00 32.12 C ATOM 1777 O LEU B 51 8.004 -10.230 2.721 1.00 2.34 O ATOM 1778 CB LEU B 51 5.512 -8.495 3.812 1.00 21.14 C ATOM 1779 CG LEU B 51 4.996 -7.592 2.691 1.00 23.13 C ATOM 1780 CD1 LEU B 51 5.025 -8.325 1.359 1.00 13.14 C ATOM 1781 CD2 LEU B 51 3.589 -7.106 3.004 1.00 41.40 C ATOM 0 H LEU B 51 6.788 -6.400 4.156 1.00 2.21 H new ATOM 0 HA LEU B 51 7.262 -9.118 4.896 1.00 44.20 H new ATOM 0 HB2 LEU B 51 5.207 -9.519 3.596 1.00 21.14 H new ATOM 0 HB3 LEU B 51 5.020 -8.205 4.740 1.00 21.14 H new ATOM 0 HG LEU B 51 5.651 -6.724 2.618 1.00 23.13 H new ATOM 0 HD11 LEU B 51 4.654 -7.667 0.573 1.00 13.14 H new ATOM 0 HD12 LEU B 51 6.048 -8.623 1.130 1.00 13.14 H new ATOM 0 HD13 LEU B 51 4.393 -9.211 1.418 1.00 13.14 H new ATOM 0 HD21 LEU B 51 3.237 -6.465 2.196 1.00 41.40 H new ATOM 0 HD22 LEU B 51 2.922 -7.962 3.104 1.00 41.40 H new ATOM 0 HD23 LEU B 51 3.598 -6.542 3.937 1.00 41.40 H new ATOM 1793 N PHE B 52 8.064 -8.145 1.878 1.00 51.32 N ATOM 1794 CA PHE B 52 8.755 -8.541 0.657 1.00 22.30 C ATOM 1795 C PHE B 52 10.151 -9.069 0.968 1.00 33.13 C ATOM 1796 O PHE B 52 10.684 -9.916 0.250 1.00 65.24 O ATOM 1797 CB PHE B 52 8.849 -7.357 -0.309 1.00 75.04 C ATOM 1798 CG PHE B 52 9.575 -7.679 -1.583 1.00 52.22 C ATOM 1799 CD1 PHE B 52 9.035 -8.569 -2.497 1.00 12.23 C ATOM 1800 CD2 PHE B 52 10.797 -7.090 -1.867 1.00 64.52 C ATOM 1801 CE1 PHE B 52 9.701 -8.867 -3.672 1.00 72.32 C ATOM 1802 CE2 PHE B 52 11.467 -7.384 -3.040 1.00 32.11 C ATOM 1803 CZ PHE B 52 10.919 -8.274 -3.942 1.00 63.33 C ATOM 0 H PHE B 52 7.856 -7.148 1.940 1.00 51.32 H new ATOM 0 HA PHE B 52 8.180 -9.339 0.188 1.00 22.30 H new ATOM 0 HB2 PHE B 52 7.843 -7.015 -0.550 1.00 75.04 H new ATOM 0 HB3 PHE B 52 9.356 -6.531 0.190 1.00 75.04 H new ATOM 0 HD1 PHE B 52 8.083 -9.035 -2.290 1.00 12.23 H new ATOM 0 HD2 PHE B 52 11.231 -6.394 -1.164 1.00 64.52 H new ATOM 0 HE1 PHE B 52 9.270 -9.562 -4.377 1.00 72.32 H new ATOM 0 HE2 PHE B 52 12.418 -6.918 -3.251 1.00 32.11 H new ATOM 0 HZ PHE B 52 11.442 -8.506 -4.858 1.00 63.33 H new ATOM 1813 N LYS B 53 10.743 -8.564 2.046 1.00 70.35 N ATOM 1814 CA LYS B 53 12.077 -8.984 2.456 1.00 23.10 C ATOM 1815 C LYS B 53 12.107 -10.478 2.761 1.00 31.22 C ATOM 1816 O LYS B 53 12.901 -11.224 2.185 1.00 33.33 O ATOM 1817 CB LYS B 53 12.528 -8.192 3.686 1.00 5.33 C ATOM 1818 CG LYS B 53 13.193 -6.869 3.346 1.00 73.53 C ATOM 1819 CD LYS B 53 14.479 -7.075 2.564 1.00 23.21 C ATOM 1820 CE LYS B 53 15.262 -5.779 2.428 1.00 30.12 C ATOM 1821 NZ LYS B 53 16.430 -5.737 3.352 1.00 75.04 N ATOM 0 H LYS B 53 10.318 -7.862 2.652 1.00 70.35 H new ATOM 0 HA LYS B 53 12.763 -8.785 1.632 1.00 23.10 H new ATOM 0 HB2 LYS B 53 11.664 -8.002 4.323 1.00 5.33 H new ATOM 0 HB3 LYS B 53 13.223 -8.800 4.265 1.00 5.33 H new ATOM 0 HG2 LYS B 53 12.506 -6.255 2.763 1.00 73.53 H new ATOM 0 HG3 LYS B 53 13.408 -6.323 4.264 1.00 73.53 H new ATOM 0 HD2 LYS B 53 15.095 -7.822 3.064 1.00 23.21 H new ATOM 0 HD3 LYS B 53 14.245 -7.466 1.574 1.00 23.21 H new ATOM 0 HE2 LYS B 53 15.608 -5.670 1.400 1.00 30.12 H new ATOM 0 HE3 LYS B 53 14.605 -4.934 2.635 1.00 30.12 H new ATOM 0 HZ1 LYS B 53 16.938 -4.838 3.229 1.00 75.04 H new ATOM 0 HZ2 LYS B 53 16.098 -5.816 4.335 1.00 75.04 H new ATOM 0 HZ3 LYS B 53 17.070 -6.528 3.138 1.00 75.04 H new ATOM 1835 N LEU B 54 11.238 -10.910 3.669 1.00 12.51 N ATOM 1836 CA LEU B 54 11.165 -12.316 4.050 1.00 64.54 C ATOM 1837 C LEU B 54 10.478 -13.139 2.964 1.00 52.25 C ATOM 1838 O LEU B 54 10.909 -14.246 2.644 1.00 1.25 O ATOM 1839 CB LEU B 54 10.412 -12.467 5.372 1.00 73.43 C ATOM 1840 CG LEU B 54 11.153 -13.211 6.485 1.00 43.11 C ATOM 1841 CD1 LEU B 54 11.545 -14.607 6.025 1.00 54.13 C ATOM 1842 CD2 LEU B 54 12.381 -12.427 6.923 1.00 10.14 C ATOM 0 H LEU B 54 10.574 -10.307 4.155 1.00 12.51 H new ATOM 0 HA LEU B 54 12.182 -12.687 4.173 1.00 64.54 H new ATOM 0 HB2 LEU B 54 10.154 -11.472 5.736 1.00 73.43 H new ATOM 0 HB3 LEU B 54 9.475 -12.987 5.176 1.00 73.43 H new ATOM 0 HG LEU B 54 10.484 -13.308 7.340 1.00 43.11 H new ATOM 0 HD11 LEU B 54 12.071 -15.121 6.830 1.00 54.13 H new ATOM 0 HD12 LEU B 54 10.649 -15.168 5.761 1.00 54.13 H new ATOM 0 HD13 LEU B 54 12.197 -14.534 5.154 1.00 54.13 H new ATOM 0 HD21 LEU B 54 12.896 -12.970 7.715 1.00 10.14 H new ATOM 0 HD22 LEU B 54 13.053 -12.299 6.074 1.00 10.14 H new ATOM 0 HD23 LEU B 54 12.075 -11.449 7.294 1.00 10.14 H new ATOM 1854 N ALA B 55 9.408 -12.588 2.399 1.00 32.21 N ATOM 1855 CA ALA B 55 8.664 -13.269 1.347 1.00 1.04 C ATOM 1856 C ALA B 55 9.535 -13.490 0.115 1.00 63.22 C ATOM 1857 O ALA B 55 9.290 -14.403 -0.674 1.00 15.31 O ATOM 1858 CB ALA B 55 7.419 -12.474 0.981 1.00 13.21 C ATOM 0 H ALA B 55 9.038 -11.672 2.653 1.00 32.21 H new ATOM 0 HA ALA B 55 8.359 -14.245 1.724 1.00 1.04 H new ATOM 0 HB1 ALA B 55 6.873 -12.995 0.194 1.00 13.21 H new ATOM 0 HB2 ALA B 55 6.781 -12.372 1.859 1.00 13.21 H new ATOM 0 HB3 ALA B 55 7.710 -11.485 0.627 1.00 13.21 H new ATOM 1864 N GLU B 56 10.550 -12.647 -0.045 1.00 2.52 N ATOM 1865 CA GLU B 56 11.456 -12.751 -1.184 1.00 50.43 C ATOM 1866 C GLU B 56 12.031 -14.159 -1.295 1.00 24.32 C ATOM 1867 O GLU B 56 12.423 -14.597 -2.377 1.00 2.21 O ATOM 1868 CB GLU B 56 12.590 -11.733 -1.055 1.00 1.11 C ATOM 1869 CG GLU B 56 13.751 -11.992 -2.001 1.00 43.32 C ATOM 1870 CD GLU B 56 14.411 -10.713 -2.479 1.00 35.15 C ATOM 1871 OE1 GLU B 56 15.384 -10.271 -1.830 1.00 63.12 O ATOM 1872 OE2 GLU B 56 13.957 -10.155 -3.499 1.00 10.42 O ATOM 0 H GLU B 56 10.766 -11.885 0.598 1.00 2.52 H new ATOM 0 HA GLU B 56 10.887 -12.538 -2.089 1.00 50.43 H new ATOM 0 HB2 GLU B 56 12.194 -10.735 -1.244 1.00 1.11 H new ATOM 0 HB3 GLU B 56 12.959 -11.741 -0.029 1.00 1.11 H new ATOM 0 HG2 GLU B 56 14.492 -12.613 -1.499 1.00 43.32 H new ATOM 0 HG3 GLU B 56 13.394 -12.556 -2.863 1.00 43.32 H new ATOM 1880 N GLU B 57 12.079 -14.863 -0.168 1.00 1.43 N ATOM 1881 CA GLU B 57 12.609 -16.222 -0.140 1.00 33.11 C ATOM 1882 C GLU B 57 11.600 -17.211 -0.718 1.00 14.33 C ATOM 1883 O GLU B 57 11.909 -17.953 -1.651 1.00 32.33 O ATOM 1884 CB GLU B 57 12.968 -16.622 1.293 1.00 10.21 C ATOM 1885 CG GLU B 57 13.576 -18.010 1.403 1.00 3.41 C ATOM 1886 CD GLU B 57 13.307 -18.661 2.745 1.00 62.11 C ATOM 1887 OE1 GLU B 57 13.119 -17.922 3.734 1.00 60.40 O ATOM 1888 OE2 GLU B 57 13.285 -19.907 2.808 1.00 64.42 O ATOM 0 H GLU B 57 11.758 -14.516 0.736 1.00 1.43 H new ATOM 0 HA GLU B 57 13.509 -16.247 -0.754 1.00 33.11 H new ATOM 0 HB2 GLU B 57 13.670 -15.894 1.700 1.00 10.21 H new ATOM 0 HB3 GLU B 57 12.070 -16.578 1.909 1.00 10.21 H new ATOM 0 HG2 GLU B 57 13.175 -18.642 0.610 1.00 3.41 H new ATOM 0 HG3 GLU B 57 14.652 -17.944 1.245 1.00 3.41 H new ATOM 1896 N ARG B 58 10.396 -17.214 -0.158 1.00 40.10 N ATOM 1897 CA ARG B 58 9.343 -18.112 -0.616 1.00 30.44 C ATOM 1898 C ARG B 58 8.868 -17.725 -2.013 1.00 75.14 C ATOM 1899 O ARG B 58 8.130 -18.471 -2.659 1.00 71.22 O ATOM 1900 CB ARG B 58 8.165 -18.092 0.360 1.00 40.41 C ATOM 1901 CG ARG B 58 7.730 -16.691 0.760 1.00 1.44 C ATOM 1902 CD ARG B 58 6.915 -16.025 -0.337 1.00 2.10 C ATOM 1903 NE ARG B 58 5.840 -16.888 -0.819 1.00 63.23 N ATOM 1904 CZ ARG B 58 4.753 -17.175 -0.111 1.00 25.41 C ATOM 1905 NH1 ARG B 58 4.599 -16.670 1.105 1.00 64.21 N ATOM 1906 NH2 ARG B 58 3.819 -17.969 -0.619 1.00 14.32 N ATOM 0 H ARG B 58 10.125 -16.605 0.614 1.00 40.10 H new ATOM 0 HA ARG B 58 9.753 -19.121 -0.658 1.00 30.44 H new ATOM 0 HB2 ARG B 58 7.320 -18.610 -0.093 1.00 40.41 H new ATOM 0 HB3 ARG B 58 8.437 -18.649 1.257 1.00 40.41 H new ATOM 0 HG2 ARG B 58 7.139 -16.740 1.675 1.00 1.44 H new ATOM 0 HG3 ARG B 58 8.609 -16.085 0.980 1.00 1.44 H new ATOM 0 HD2 ARG B 58 6.491 -15.094 0.040 1.00 2.10 H new ATOM 0 HD3 ARG B 58 7.570 -15.763 -1.168 1.00 2.10 H new ATOM 0 HE ARG B 58 5.929 -17.293 -1.751 1.00 63.23 H new ATOM 0 HH11 ARG B 58 5.316 -16.060 1.498 1.00 64.21 H new ATOM 0 HH12 ARG B 58 3.764 -16.891 1.647 1.00 64.21 H new ATOM 0 HH21 ARG B 58 3.935 -18.360 -1.554 1.00 14.32 H new ATOM 0 HH22 ARG B 58 2.985 -18.189 -0.074 1.00 14.32 H new ATOM 1920 N LEU B 59 9.293 -16.555 -2.473 1.00 2.41 N ATOM 1921 CA LEU B 59 8.912 -16.067 -3.794 1.00 41.11 C ATOM 1922 C LEU B 59 10.032 -16.292 -4.803 1.00 2.44 C ATOM 1923 O LEU B 59 9.880 -17.054 -5.758 1.00 41.11 O ATOM 1924 CB LEU B 59 8.560 -14.580 -3.728 1.00 44.52 C ATOM 1925 CG LEU B 59 7.088 -14.248 -3.478 1.00 2.40 C ATOM 1926 CD1 LEU B 59 6.893 -12.744 -3.359 1.00 22.35 C ATOM 1927 CD2 LEU B 59 6.218 -14.814 -4.591 1.00 73.25 C ATOM 0 H LEU B 59 9.902 -15.925 -1.951 1.00 2.41 H new ATOM 0 HA LEU B 59 8.036 -16.627 -4.122 1.00 41.11 H new ATOM 0 HB2 LEU B 59 9.154 -14.121 -2.938 1.00 44.52 H new ATOM 0 HB3 LEU B 59 8.863 -14.114 -4.666 1.00 44.52 H new ATOM 0 HG LEU B 59 6.786 -14.708 -2.537 1.00 2.40 H new ATOM 0 HD11 LEU B 59 5.840 -12.527 -3.181 1.00 22.35 H new ATOM 0 HD12 LEU B 59 7.487 -12.365 -2.528 1.00 22.35 H new ATOM 0 HD13 LEU B 59 7.212 -12.262 -4.283 1.00 22.35 H new ATOM 0 HD21 LEU B 59 5.174 -14.569 -4.397 1.00 73.25 H new ATOM 0 HD22 LEU B 59 6.521 -14.382 -5.545 1.00 73.25 H new ATOM 0 HD23 LEU B 59 6.335 -15.897 -4.629 1.00 73.25 H new ATOM 1939 N LYS B 60 11.162 -15.626 -4.584 1.00 51.35 N ATOM 1940 CA LYS B 60 12.311 -15.755 -5.471 1.00 2.05 C ATOM 1941 C LYS B 60 13.209 -16.908 -5.035 1.00 55.30 C ATOM 1942 O LYS B 60 13.308 -17.926 -5.719 1.00 22.14 O ATOM 1943 CB LYS B 60 13.113 -14.451 -5.495 1.00 62.25 C ATOM 1944 CG LYS B 60 12.252 -13.206 -5.369 1.00 30.40 C ATOM 1945 CD LYS B 60 11.186 -13.153 -6.451 1.00 52.21 C ATOM 1946 CE LYS B 60 10.783 -11.720 -6.766 1.00 75.35 C ATOM 1947 NZ LYS B 60 11.924 -10.927 -7.301 1.00 23.41 N ATOM 0 H LYS B 60 11.305 -14.991 -3.799 1.00 51.35 H new ATOM 0 HA LYS B 60 11.941 -15.965 -6.474 1.00 2.05 H new ATOM 0 HB2 LYS B 60 13.838 -14.465 -4.681 1.00 62.25 H new ATOM 0 HB3 LYS B 60 13.679 -14.399 -6.425 1.00 62.25 H new ATOM 0 HG2 LYS B 60 11.777 -13.189 -4.388 1.00 30.40 H new ATOM 0 HG3 LYS B 60 12.882 -12.319 -5.434 1.00 30.40 H new ATOM 0 HD2 LYS B 60 11.559 -13.634 -7.355 1.00 52.21 H new ATOM 0 HD3 LYS B 60 10.310 -13.716 -6.128 1.00 52.21 H new ATOM 0 HE2 LYS B 60 9.971 -11.723 -7.493 1.00 75.35 H new ATOM 0 HE3 LYS B 60 10.401 -11.243 -5.863 1.00 75.35 H new ATOM 0 HZ1 LYS B 60 11.659 -10.511 -8.217 1.00 23.41 H new ATOM 0 HZ2 LYS B 60 12.163 -10.167 -6.632 1.00 23.41 H new ATOM 0 HZ3 LYS B 60 12.749 -11.548 -7.428 1.00 23.41 H new ATOM 1961 N LYS B 61 13.861 -16.742 -3.889 1.00 74.10 N ATOM 1962 CA LYS B 61 14.749 -17.770 -3.357 1.00 22.04 C ATOM 1963 C LYS B 61 15.374 -17.321 -2.040 1.00 4.33 C ATOM 1964 O LYS B 61 15.189 -17.960 -1.004 1.00 52.11 O ATOM 1965 CB LYS B 61 15.849 -18.097 -4.371 1.00 40.22 C ATOM 1966 CG LYS B 61 16.118 -19.585 -4.518 1.00 52.33 C ATOM 1967 CD LYS B 61 16.721 -20.169 -3.252 1.00 72.53 C ATOM 1968 CE LYS B 61 17.071 -21.639 -3.429 1.00 4.42 C ATOM 1969 NZ LYS B 61 17.038 -22.377 -2.137 1.00 32.31 N ATOM 0 H LYS B 61 13.791 -15.905 -3.310 1.00 74.10 H new ATOM 0 HA LYS B 61 14.157 -18.666 -3.171 1.00 22.04 H new ATOM 0 HB2 LYS B 61 15.569 -17.689 -5.342 1.00 40.22 H new ATOM 0 HB3 LYS B 61 16.770 -17.598 -4.069 1.00 40.22 H new ATOM 0 HG2 LYS B 61 15.188 -20.103 -4.752 1.00 52.33 H new ATOM 0 HG3 LYS B 61 16.795 -19.752 -5.356 1.00 52.33 H new ATOM 0 HD2 LYS B 61 17.617 -19.610 -2.983 1.00 72.53 H new ATOM 0 HD3 LYS B 61 16.017 -20.058 -2.427 1.00 72.53 H new ATOM 0 HE2 LYS B 61 16.370 -22.097 -4.127 1.00 4.42 H new ATOM 0 HE3 LYS B 61 18.064 -21.725 -3.871 1.00 4.42 H new ATOM 0 HZ1 LYS B 61 17.282 -23.375 -2.301 1.00 32.31 H new ATOM 0 HZ2 LYS B 61 17.725 -21.956 -1.479 1.00 32.31 H new ATOM 0 HZ3 LYS B 61 16.084 -22.317 -1.727 1.00 32.31 H new ATOM 1983 N LEU B 62 16.115 -16.219 -2.088 1.00 51.23 N ATOM 1984 CA LEU B 62 16.767 -15.683 -0.897 1.00 21.40 C ATOM 1985 C LEU B 62 17.582 -16.762 -0.191 1.00 64.13 C ATOM 1986 O LEU B 62 18.810 -16.729 -0.258 1.00 62.22 O ATOM 1987 CB LEU B 62 15.725 -15.105 0.062 1.00 64.42 C ATOM 1988 CG LEU B 62 16.171 -13.901 0.891 1.00 24.32 C ATOM 1989 CD1 LEU B 62 15.099 -13.520 1.900 1.00 60.41 C ATOM 1990 CD2 LEU B 62 17.488 -14.197 1.595 1.00 51.35 C ATOM 0 H LEU B 62 16.279 -15.679 -2.938 1.00 51.23 H new ATOM 0 HA LEU B 62 17.444 -14.888 -1.210 1.00 21.40 H new ATOM 0 HB2 LEU B 62 14.848 -14.817 -0.517 1.00 64.42 H new ATOM 0 HB3 LEU B 62 15.411 -15.895 0.745 1.00 64.42 H new ATOM 0 HG LEU B 62 16.323 -13.057 0.218 1.00 24.32 H new ATOM 0 HD11 LEU B 62 15.435 -12.661 2.481 1.00 60.41 H new ATOM 0 HD12 LEU B 62 14.179 -13.265 1.374 1.00 60.41 H new ATOM 0 HD13 LEU B 62 14.914 -14.360 2.569 1.00 60.41 H new ATOM 0 HD21 LEU B 62 17.791 -13.329 2.181 1.00 51.35 H new ATOM 0 HD22 LEU B 62 17.363 -15.055 2.256 1.00 51.35 H new ATOM 0 HD23 LEU B 62 18.255 -14.420 0.853 1.00 51.35 H new