USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 170:sc= -0.305 (180deg=-0.489) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -107:sc= 0.397 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+ 154:sc= -0.101 (180deg=-0.248) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 168:sc= -0.312 (180deg=-0.436) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -107:sc= 0.431 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+ 152:sc= -0.148 (180deg=-0.359) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.498 21.994 3.030 1.00 15.03 N ATOM 19 CA LYS A 2 -13.498 21.525 2.078 1.00 22.41 C ATOM 20 C LYS A 2 -13.650 22.234 0.736 1.00 63.21 C ATOM 21 O LYS A 2 -14.679 22.852 0.462 1.00 32.21 O ATOM 22 CB LYS A 2 -13.619 20.011 1.885 1.00 64.24 C ATOM 23 CG LYS A 2 -14.891 19.590 1.167 1.00 30.01 C ATOM 24 CD LYS A 2 -15.789 18.759 2.068 1.00 21.21 C ATOM 25 CE LYS A 2 -17.074 18.360 1.358 1.00 22.23 C ATOM 26 NZ LYS A 2 -18.283 18.785 2.117 1.00 21.33 N ATOM 0 HA LYS A 2 -12.512 21.756 2.481 1.00 22.41 H new ATOM 0 HB2 LYS A 2 -12.758 19.655 1.320 1.00 64.24 H new ATOM 0 HB3 LYS A 2 -13.584 19.525 2.860 1.00 64.24 H new ATOM 0 HG2 LYS A 2 -15.430 20.475 0.830 1.00 30.01 H new ATOM 0 HG3 LYS A 2 -14.635 19.015 0.277 1.00 30.01 H new ATOM 0 HD2 LYS A 2 -15.256 17.864 2.389 1.00 21.21 H new ATOM 0 HD3 LYS A 2 -16.030 19.326 2.967 1.00 21.21 H new ATOM 0 HE2 LYS A 2 -17.094 18.807 0.364 1.00 22.23 H new ATOM 0 HE3 LYS A 2 -17.093 17.279 1.221 1.00 22.23 H new ATOM 0 HZ1 LYS A 2 -19.137 18.495 1.600 1.00 21.33 H new ATOM 0 HZ2 LYS A 2 -18.278 18.338 3.056 1.00 21.33 H new ATOM 0 HZ3 LYS A 2 -18.279 19.819 2.225 1.00 21.33 H new ATOM 40 N LYS A 3 -12.621 22.139 -0.098 1.00 24.03 N ATOM 41 CA LYS A 3 -12.640 22.768 -1.414 1.00 55.31 C ATOM 42 C LYS A 3 -12.023 21.850 -2.464 1.00 65.14 C ATOM 43 O LYS A 3 -12.732 21.263 -3.284 1.00 52.44 O ATOM 44 CB LYS A 3 -11.885 24.099 -1.376 1.00 34.13 C ATOM 45 CG LYS A 3 -11.677 24.718 -2.747 1.00 52.45 C ATOM 46 CD LYS A 3 -11.846 26.228 -2.708 1.00 33.15 C ATOM 47 CE LYS A 3 -11.486 26.865 -4.041 1.00 72.53 C ATOM 48 NZ LYS A 3 -12.358 28.032 -4.351 1.00 24.02 N ATOM 0 H LYS A 3 -11.762 21.632 0.114 1.00 24.03 H new ATOM 0 HA LYS A 3 -13.679 22.955 -1.686 1.00 55.31 H new ATOM 0 HB2 LYS A 3 -12.434 24.801 -0.749 1.00 34.13 H new ATOM 0 HB3 LYS A 3 -10.914 23.943 -0.905 1.00 34.13 H new ATOM 0 HG2 LYS A 3 -10.679 24.472 -3.111 1.00 52.45 H new ATOM 0 HG3 LYS A 3 -12.389 24.289 -3.453 1.00 52.45 H new ATOM 0 HD2 LYS A 3 -12.877 26.473 -2.453 1.00 33.15 H new ATOM 0 HD3 LYS A 3 -11.216 26.645 -1.922 1.00 33.15 H new ATOM 0 HE2 LYS A 3 -10.444 27.185 -4.021 1.00 72.53 H new ATOM 0 HE3 LYS A 3 -11.576 26.123 -4.834 1.00 72.53 H new ATOM 0 HZ1 LYS A 3 -12.081 28.439 -5.267 1.00 24.02 H new ATOM 0 HZ2 LYS A 3 -13.350 27.722 -4.395 1.00 24.02 H new ATOM 0 HZ3 LYS A 3 -12.253 28.751 -3.607 1.00 24.02 H new ATOM 62 N LEU A 4 -10.701 21.730 -2.435 1.00 25.20 N ATOM 63 CA LEU A 4 -9.989 20.882 -3.386 1.00 53.30 C ATOM 64 C LEU A 4 -9.105 19.874 -2.659 1.00 1.44 C ATOM 65 O LEU A 4 -8.444 19.047 -3.287 1.00 64.44 O ATOM 66 CB LEU A 4 -9.139 21.739 -4.326 1.00 61.33 C ATOM 67 CG LEU A 4 -7.782 22.187 -3.784 1.00 11.34 C ATOM 68 CD1 LEU A 4 -6.966 22.859 -4.876 1.00 45.24 C ATOM 69 CD2 LEU A 4 -7.965 23.124 -2.598 1.00 61.10 C ATOM 0 H LEU A 4 -10.100 22.208 -1.764 1.00 25.20 H new ATOM 0 HA LEU A 4 -10.727 20.334 -3.972 1.00 53.30 H new ATOM 0 HB2 LEU A 4 -8.973 21.178 -5.246 1.00 61.33 H new ATOM 0 HB3 LEU A 4 -9.712 22.627 -4.593 1.00 61.33 H new ATOM 0 HG LEU A 4 -7.239 21.305 -3.445 1.00 11.34 H new ATOM 0 HD11 LEU A 4 -6.003 23.171 -4.471 1.00 45.24 H new ATOM 0 HD12 LEU A 4 -6.805 22.157 -5.694 1.00 45.24 H new ATOM 0 HD13 LEU A 4 -7.504 23.732 -5.247 1.00 45.24 H new ATOM 0 HD21 LEU A 4 -6.989 23.433 -2.225 1.00 61.10 H new ATOM 0 HD22 LEU A 4 -8.528 24.003 -2.912 1.00 61.10 H new ATOM 0 HD23 LEU A 4 -8.509 22.608 -1.807 1.00 61.10 H new ATOM 81 N ARG A 5 -9.099 19.948 -1.332 1.00 5.21 N ATOM 82 CA ARG A 5 -8.296 19.041 -0.520 1.00 61.21 C ATOM 83 C ARG A 5 -8.784 17.602 -0.669 1.00 52.33 C ATOM 84 O ARG A 5 -8.005 16.658 -0.544 1.00 44.21 O ATOM 85 CB ARG A 5 -8.348 19.459 0.951 1.00 62.54 C ATOM 86 CG ARG A 5 -7.209 20.376 1.363 1.00 33.24 C ATOM 87 CD ARG A 5 -5.866 19.663 1.295 1.00 72.25 C ATOM 88 NE ARG A 5 -4.791 20.463 1.874 1.00 71.23 N ATOM 89 CZ ARG A 5 -3.510 20.113 1.832 1.00 41.24 C ATOM 90 NH1 ARG A 5 -3.147 18.984 1.241 1.00 60.24 N ATOM 91 NH2 ARG A 5 -2.590 20.895 2.381 1.00 1.45 N ATOM 0 H ARG A 5 -9.641 20.626 -0.796 1.00 5.21 H new ATOM 0 HA ARG A 5 -7.265 19.095 -0.870 1.00 61.21 H new ATOM 0 HB2 ARG A 5 -9.296 19.961 1.144 1.00 62.54 H new ATOM 0 HB3 ARG A 5 -8.328 18.565 1.575 1.00 62.54 H new ATOM 0 HG2 ARG A 5 -7.191 21.250 0.713 1.00 33.24 H new ATOM 0 HG3 ARG A 5 -7.380 20.737 2.377 1.00 33.24 H new ATOM 0 HD2 ARG A 5 -5.934 18.711 1.822 1.00 72.25 H new ATOM 0 HD3 ARG A 5 -5.629 19.435 0.256 1.00 72.25 H new ATOM 0 HE ARG A 5 -5.037 21.339 2.336 1.00 71.23 H new ATOM 0 HH11 ARG A 5 -3.852 18.381 0.817 1.00 60.24 H new ATOM 0 HH12 ARG A 5 -2.163 18.718 1.210 1.00 60.24 H new ATOM 0 HH21 ARG A 5 -2.866 21.765 2.836 1.00 1.45 H new ATOM 0 HH22 ARG A 5 -1.607 20.626 2.349 1.00 1.45 H new ATOM 105 N GLU A 6 -10.077 17.446 -0.935 1.00 31.11 N ATOM 106 CA GLU A 6 -10.667 16.122 -1.099 1.00 53.34 C ATOM 107 C GLU A 6 -9.962 15.346 -2.207 1.00 70.43 C ATOM 108 O GLU A 6 -9.918 14.116 -2.186 1.00 52.43 O ATOM 109 CB GLU A 6 -12.160 16.241 -1.415 1.00 51.52 C ATOM 110 CG GLU A 6 -13.059 15.708 -0.312 1.00 14.21 C ATOM 111 CD GLU A 6 -14.474 15.445 -0.790 1.00 31.50 C ATOM 112 OE1 GLU A 6 -14.654 15.199 -2.001 1.00 62.03 O ATOM 113 OE2 GLU A 6 -15.400 15.483 0.046 1.00 32.30 O ATOM 0 H GLU A 6 -10.735 18.218 -1.041 1.00 31.11 H new ATOM 0 HA GLU A 6 -10.543 15.578 -0.163 1.00 53.34 H new ATOM 0 HB2 GLU A 6 -12.402 17.288 -1.596 1.00 51.52 H new ATOM 0 HB3 GLU A 6 -12.372 15.701 -2.338 1.00 51.52 H new ATOM 0 HG2 GLU A 6 -12.635 14.785 0.083 1.00 14.21 H new ATOM 0 HG3 GLU A 6 -13.084 16.424 0.509 1.00 14.21 H new ATOM 121 N GLU A 7 -9.412 16.073 -3.175 1.00 53.31 N ATOM 122 CA GLU A 7 -8.710 15.453 -4.291 1.00 63.22 C ATOM 123 C GLU A 7 -7.607 14.524 -3.793 1.00 51.22 C ATOM 124 O GLU A 7 -7.342 13.481 -4.390 1.00 32.24 O ATOM 125 CB GLU A 7 -8.115 16.524 -5.207 1.00 25.25 C ATOM 126 CG GLU A 7 -9.147 17.490 -5.765 1.00 22.23 C ATOM 127 CD GLU A 7 -9.492 17.201 -7.214 1.00 52.34 C ATOM 128 OE1 GLU A 7 -9.941 16.072 -7.503 1.00 53.34 O ATOM 129 OE2 GLU A 7 -9.313 18.104 -8.058 1.00 14.13 O ATOM 0 H GLU A 7 -9.440 17.092 -3.208 1.00 53.31 H new ATOM 0 HA GLU A 7 -9.431 14.862 -4.856 1.00 63.22 H new ATOM 0 HB2 GLU A 7 -7.364 17.088 -4.653 1.00 25.25 H new ATOM 0 HB3 GLU A 7 -7.601 16.037 -6.035 1.00 25.25 H new ATOM 0 HG2 GLU A 7 -10.053 17.436 -5.162 1.00 22.23 H new ATOM 0 HG3 GLU A 7 -8.768 18.509 -5.682 1.00 22.23 H new ATOM 137 N ALA A 8 -6.967 14.912 -2.694 1.00 23.53 N ATOM 138 CA ALA A 8 -5.893 14.115 -2.114 1.00 74.21 C ATOM 139 C ALA A 8 -6.441 12.853 -1.455 1.00 60.23 C ATOM 140 O ALA A 8 -5.747 11.843 -1.352 1.00 20.24 O ATOM 141 CB ALA A 8 -5.108 14.940 -1.106 1.00 50.14 C ATOM 0 H ALA A 8 -7.174 15.773 -2.188 1.00 23.53 H new ATOM 0 HA ALA A 8 -5.223 13.812 -2.919 1.00 74.21 H new ATOM 0 HB1 ALA A 8 -4.309 14.332 -0.681 1.00 50.14 H new ATOM 0 HB2 ALA A 8 -4.677 15.809 -1.604 1.00 50.14 H new ATOM 0 HB3 ALA A 8 -5.774 15.272 -0.310 1.00 50.14 H new ATOM 147 N ALA A 9 -7.692 12.919 -1.010 1.00 72.30 N ATOM 148 CA ALA A 9 -8.334 11.782 -0.362 1.00 1.11 C ATOM 149 C ALA A 9 -8.407 10.584 -1.302 1.00 3.43 C ATOM 150 O ALA A 9 -8.195 9.443 -0.889 1.00 44.20 O ATOM 151 CB ALA A 9 -9.725 12.165 0.119 1.00 20.32 C ATOM 0 H ALA A 9 -8.281 13.748 -1.087 1.00 72.30 H new ATOM 0 HA ALA A 9 -7.730 11.497 0.500 1.00 1.11 H new ATOM 0 HB1 ALA A 9 -10.193 11.306 0.601 1.00 20.32 H new ATOM 0 HB2 ALA A 9 -9.650 12.985 0.833 1.00 20.32 H new ATOM 0 HB3 ALA A 9 -10.331 12.478 -0.731 1.00 20.32 H new ATOM 157 N LYS A 10 -8.710 10.850 -2.568 1.00 24.35 N ATOM 158 CA LYS A 10 -8.811 9.793 -3.569 1.00 53.54 C ATOM 159 C LYS A 10 -7.500 9.022 -3.680 1.00 44.44 C ATOM 160 O LYS A 10 -7.494 7.831 -3.992 1.00 33.32 O ATOM 161 CB LYS A 10 -9.184 10.387 -4.929 1.00 21.12 C ATOM 162 CG LYS A 10 -10.363 11.342 -4.874 1.00 42.45 C ATOM 163 CD LYS A 10 -11.117 11.375 -6.193 1.00 1.34 C ATOM 164 CE LYS A 10 -10.739 12.594 -7.022 1.00 13.31 C ATOM 165 NZ LYS A 10 -11.859 13.039 -7.896 1.00 61.12 N ATOM 0 H LYS A 10 -8.890 11.788 -2.926 1.00 24.35 H new ATOM 0 HA LYS A 10 -9.592 9.101 -3.255 1.00 53.54 H new ATOM 0 HB2 LYS A 10 -8.320 10.913 -5.335 1.00 21.12 H new ATOM 0 HB3 LYS A 10 -9.417 9.576 -5.619 1.00 21.12 H new ATOM 0 HG2 LYS A 10 -11.040 11.040 -4.075 1.00 42.45 H new ATOM 0 HG3 LYS A 10 -10.010 12.344 -4.631 1.00 42.45 H new ATOM 0 HD2 LYS A 10 -10.902 10.468 -6.759 1.00 1.34 H new ATOM 0 HD3 LYS A 10 -12.190 11.384 -6.000 1.00 1.34 H new ATOM 0 HE2 LYS A 10 -10.450 13.409 -6.358 1.00 13.31 H new ATOM 0 HE3 LYS A 10 -9.870 12.360 -7.637 1.00 13.31 H new ATOM 0 HZ1 LYS A 10 -11.562 13.871 -8.444 1.00 61.12 H new ATOM 0 HZ2 LYS A 10 -12.118 12.270 -8.547 1.00 61.12 H new ATOM 0 HZ3 LYS A 10 -12.681 13.287 -7.308 1.00 61.12 H new ATOM 179 N LEU A 11 -6.392 9.708 -3.423 1.00 21.44 N ATOM 180 CA LEU A 11 -5.073 9.086 -3.493 1.00 74.22 C ATOM 181 C LEU A 11 -5.030 7.808 -2.662 1.00 11.41 C ATOM 182 O LEU A 11 -4.508 6.784 -3.105 1.00 54.53 O ATOM 183 CB LEU A 11 -4.002 10.062 -3.007 1.00 4.51 C ATOM 184 CG LEU A 11 -3.984 11.433 -3.685 1.00 71.03 C ATOM 185 CD1 LEU A 11 -2.886 12.305 -3.096 1.00 61.02 C ATOM 186 CD2 LEU A 11 -3.800 11.282 -5.188 1.00 3.52 C ATOM 0 H LEU A 11 -6.380 10.695 -3.164 1.00 21.44 H new ATOM 0 HA LEU A 11 -4.874 8.827 -4.533 1.00 74.22 H new ATOM 0 HB2 LEU A 11 -4.134 10.211 -1.935 1.00 4.51 H new ATOM 0 HB3 LEU A 11 -3.026 9.597 -3.146 1.00 4.51 H new ATOM 0 HG LEU A 11 -4.942 11.920 -3.504 1.00 71.03 H new ATOM 0 HD11 LEU A 11 -2.888 13.276 -3.590 1.00 61.02 H new ATOM 0 HD12 LEU A 11 -3.062 12.441 -2.029 1.00 61.02 H new ATOM 0 HD13 LEU A 11 -1.920 11.824 -3.246 1.00 61.02 H new ATOM 0 HD21 LEU A 11 -3.790 12.267 -5.654 1.00 3.52 H new ATOM 0 HD22 LEU A 11 -2.856 10.775 -5.390 1.00 3.52 H new ATOM 0 HD23 LEU A 11 -4.622 10.695 -5.598 1.00 3.52 H new ATOM 198 N PHE A 12 -5.582 7.875 -1.454 1.00 24.11 N ATOM 199 CA PHE A 12 -5.607 6.723 -0.561 1.00 14.00 C ATOM 200 C PHE A 12 -6.632 5.694 -1.028 1.00 12.22 C ATOM 201 O PHE A 12 -6.507 4.504 -0.742 1.00 10.33 O ATOM 202 CB PHE A 12 -5.926 7.166 0.868 1.00 71.13 C ATOM 203 CG PHE A 12 -4.847 8.002 1.493 1.00 24.23 C ATOM 204 CD1 PHE A 12 -3.518 7.616 1.409 1.00 64.40 C ATOM 205 CD2 PHE A 12 -5.159 9.174 2.163 1.00 33.30 C ATOM 206 CE1 PHE A 12 -2.522 8.384 1.983 1.00 32.15 C ATOM 207 CE2 PHE A 12 -4.167 9.945 2.739 1.00 11.01 C ATOM 208 CZ PHE A 12 -2.847 9.550 2.648 1.00 4.13 C ATOM 0 H PHE A 12 -6.017 8.715 -1.072 1.00 24.11 H new ATOM 0 HA PHE A 12 -4.620 6.260 -0.579 1.00 14.00 H new ATOM 0 HB2 PHE A 12 -6.857 7.733 0.864 1.00 71.13 H new ATOM 0 HB3 PHE A 12 -6.093 6.283 1.485 1.00 71.13 H new ATOM 0 HD1 PHE A 12 -3.258 6.706 0.890 1.00 64.40 H new ATOM 0 HD2 PHE A 12 -6.190 9.489 2.236 1.00 33.30 H new ATOM 0 HE1 PHE A 12 -1.490 8.072 1.911 1.00 32.15 H new ATOM 0 HE2 PHE A 12 -4.424 10.856 3.260 1.00 11.01 H new ATOM 0 HZ PHE A 12 -2.070 10.152 3.096 1.00 4.13 H new ATOM 218 N GLU A 13 -7.647 6.163 -1.748 1.00 23.21 N ATOM 219 CA GLU A 13 -8.694 5.284 -2.254 1.00 53.34 C ATOM 220 C GLU A 13 -8.107 4.194 -3.145 1.00 41.42 C ATOM 221 O GLU A 13 -8.551 3.047 -3.113 1.00 3.24 O ATOM 222 CB GLU A 13 -9.736 6.091 -3.033 1.00 30.31 C ATOM 223 CG GLU A 13 -11.170 5.756 -2.660 1.00 35.53 C ATOM 224 CD GLU A 13 -12.126 6.900 -2.930 1.00 34.02 C ATOM 225 OE1 GLU A 13 -13.059 7.096 -2.123 1.00 43.33 O ATOM 226 OE2 GLU A 13 -11.943 7.599 -3.948 1.00 0.44 O ATOM 0 H GLU A 13 -7.766 7.146 -1.993 1.00 23.21 H new ATOM 0 HA GLU A 13 -9.177 4.809 -1.401 1.00 53.34 H new ATOM 0 HB2 GLU A 13 -9.564 7.153 -2.860 1.00 30.31 H new ATOM 0 HB3 GLU A 13 -9.596 5.915 -4.100 1.00 30.31 H new ATOM 0 HG2 GLU A 13 -11.492 4.879 -3.221 1.00 35.53 H new ATOM 0 HG3 GLU A 13 -11.214 5.492 -1.603 1.00 35.53 H new ATOM 234 N GLU A 14 -7.109 4.563 -3.941 1.00 4.44 N ATOM 235 CA GLU A 14 -6.461 3.618 -4.843 1.00 11.10 C ATOM 236 C GLU A 14 -5.557 2.661 -4.071 1.00 45.41 C ATOM 237 O GLU A 14 -5.431 1.488 -4.423 1.00 42.43 O ATOM 238 CB GLU A 14 -5.647 4.364 -5.902 1.00 61.42 C ATOM 239 CG GLU A 14 -6.395 5.523 -6.538 1.00 64.44 C ATOM 240 CD GLU A 14 -5.724 6.027 -7.801 1.00 44.12 C ATOM 241 OE1 GLU A 14 -6.395 6.069 -8.854 1.00 50.45 O ATOM 242 OE2 GLU A 14 -4.528 6.381 -7.737 1.00 21.32 O ATOM 0 H GLU A 14 -6.731 5.510 -3.980 1.00 4.44 H new ATOM 0 HA GLU A 14 -7.239 3.036 -5.337 1.00 11.10 H new ATOM 0 HB2 GLU A 14 -4.731 4.740 -5.446 1.00 61.42 H new ATOM 0 HB3 GLU A 14 -5.350 3.662 -6.681 1.00 61.42 H new ATOM 0 HG2 GLU A 14 -7.412 5.209 -6.772 1.00 64.44 H new ATOM 0 HG3 GLU A 14 -6.470 6.340 -5.820 1.00 64.44 H new ATOM 250 N TRP A 15 -4.928 3.171 -3.018 1.00 73.03 N ATOM 251 CA TRP A 15 -4.034 2.364 -2.196 1.00 74.41 C ATOM 252 C TRP A 15 -4.745 1.115 -1.685 1.00 13.52 C ATOM 253 O TRP A 15 -4.260 -0.003 -1.859 1.00 55.23 O ATOM 254 CB TRP A 15 -3.510 3.186 -1.018 1.00 2.35 C ATOM 255 CG TRP A 15 -2.383 4.102 -1.388 1.00 24.33 C ATOM 256 CD1 TRP A 15 -2.173 4.694 -2.600 1.00 44.11 C ATOM 257 CD2 TRP A 15 -1.310 4.527 -0.540 1.00 44.13 C ATOM 258 NE1 TRP A 15 -1.034 5.463 -2.557 1.00 32.53 N ATOM 259 CE2 TRP A 15 -0.487 5.378 -1.305 1.00 34.20 C ATOM 260 CE3 TRP A 15 -0.967 4.275 0.791 1.00 25.23 C ATOM 261 CZ2 TRP A 15 0.656 5.974 -0.781 1.00 14.41 C ATOM 262 CZ3 TRP A 15 0.169 4.867 1.309 1.00 45.12 C ATOM 263 CH2 TRP A 15 0.969 5.709 0.525 1.00 3.44 C ATOM 0 H TRP A 15 -5.021 4.140 -2.713 1.00 73.03 H new ATOM 0 HA TRP A 15 -3.192 2.053 -2.815 1.00 74.41 H new ATOM 0 HB2 TRP A 15 -4.327 3.776 -0.604 1.00 2.35 H new ATOM 0 HB3 TRP A 15 -3.175 2.509 -0.232 1.00 2.35 H new ATOM 0 HD1 TRP A 15 -2.808 4.576 -3.465 1.00 44.11 H new ATOM 0 HE1 TRP A 15 -0.658 6.008 -3.332 1.00 32.53 H new ATOM 0 HE3 TRP A 15 -1.579 3.629 1.404 1.00 25.23 H new ATOM 0 HZ2 TRP A 15 1.274 6.623 -1.383 1.00 14.41 H new ATOM 0 HZ3 TRP A 15 0.445 4.678 2.336 1.00 45.12 H new ATOM 0 HH2 TRP A 15 1.850 6.158 0.960 1.00 3.44 H new ATOM 274 N LYS A 16 -5.897 1.313 -1.052 1.00 32.02 N ATOM 275 CA LYS A 16 -6.675 0.203 -0.515 1.00 64.34 C ATOM 276 C LYS A 16 -7.305 -0.614 -1.639 1.00 65.34 C ATOM 277 O LYS A 16 -7.580 -1.803 -1.479 1.00 53.43 O ATOM 278 CB LYS A 16 -7.766 0.725 0.423 1.00 71.43 C ATOM 279 CG LYS A 16 -8.695 -0.362 0.940 1.00 45.32 C ATOM 280 CD LYS A 16 -10.071 -0.269 0.301 1.00 23.15 C ATOM 281 CE LYS A 16 -11.023 0.562 1.146 1.00 33.04 C ATOM 282 NZ LYS A 16 -11.880 -0.290 2.017 1.00 23.22 N ATOM 0 H LYS A 16 -6.312 2.232 -0.899 1.00 32.02 H new ATOM 0 HA LYS A 16 -6.000 -0.443 0.046 1.00 64.34 H new ATOM 0 HB2 LYS A 16 -7.297 1.224 1.271 1.00 71.43 H new ATOM 0 HB3 LYS A 16 -8.356 1.476 -0.102 1.00 71.43 H new ATOM 0 HG2 LYS A 16 -8.262 -1.341 0.733 1.00 45.32 H new ATOM 0 HG3 LYS A 16 -8.789 -0.277 2.023 1.00 45.32 H new ATOM 0 HD2 LYS A 16 -9.983 0.173 -0.691 1.00 23.15 H new ATOM 0 HD3 LYS A 16 -10.480 -1.271 0.169 1.00 23.15 H new ATOM 0 HE2 LYS A 16 -10.450 1.253 1.764 1.00 33.04 H new ATOM 0 HE3 LYS A 16 -11.654 1.166 0.494 1.00 33.04 H new ATOM 0 HZ1 LYS A 16 -12.515 0.314 2.577 1.00 23.22 H new ATOM 0 HZ2 LYS A 16 -12.445 -0.932 1.426 1.00 23.22 H new ATOM 0 HZ3 LYS A 16 -11.279 -0.847 2.657 1.00 23.22 H new ATOM 296 N LYS A 17 -7.529 0.032 -2.780 1.00 35.01 N ATOM 297 CA LYS A 17 -8.123 -0.635 -3.932 1.00 51.42 C ATOM 298 C LYS A 17 -7.160 -1.655 -4.527 1.00 22.43 C ATOM 299 O LYS A 17 -7.463 -2.848 -4.589 1.00 4.35 O ATOM 300 CB LYS A 17 -8.513 0.395 -4.996 1.00 21.32 C ATOM 301 CG LYS A 17 -10.003 0.431 -5.290 1.00 14.05 C ATOM 302 CD LYS A 17 -10.278 0.413 -6.783 1.00 62.12 C ATOM 303 CE LYS A 17 -10.781 -0.947 -7.241 1.00 41.01 C ATOM 304 NZ LYS A 17 -11.804 -0.826 -8.318 1.00 12.14 N ATOM 0 H LYS A 17 -7.308 1.016 -2.930 1.00 35.01 H new ATOM 0 HA LYS A 17 -9.017 -1.160 -3.596 1.00 51.42 H new ATOM 0 HB2 LYS A 17 -8.192 1.384 -4.668 1.00 21.32 H new ATOM 0 HB3 LYS A 17 -7.974 0.175 -5.918 1.00 21.32 H new ATOM 0 HG2 LYS A 17 -10.488 -0.424 -4.820 1.00 14.05 H new ATOM 0 HG3 LYS A 17 -10.440 1.327 -4.850 1.00 14.05 H new ATOM 0 HD2 LYS A 17 -11.017 1.176 -7.027 1.00 62.12 H new ATOM 0 HD3 LYS A 17 -9.367 0.666 -7.325 1.00 62.12 H new ATOM 0 HE2 LYS A 17 -9.942 -1.542 -7.602 1.00 41.01 H new ATOM 0 HE3 LYS A 17 -11.208 -1.481 -6.392 1.00 41.01 H new ATOM 0 HZ1 LYS A 17 -12.122 -1.774 -8.603 1.00 12.14 H new ATOM 0 HZ2 LYS A 17 -12.616 -0.280 -7.966 1.00 12.14 H new ATOM 0 HZ3 LYS A 17 -11.389 -0.339 -9.138 1.00 12.14 H new ATOM 318 N LEU A 18 -5.997 -1.182 -4.963 1.00 14.22 N ATOM 319 CA LEU A 18 -4.987 -2.055 -5.551 1.00 31.34 C ATOM 320 C LEU A 18 -4.608 -3.175 -4.587 1.00 2.34 C ATOM 321 O LEU A 18 -4.158 -4.241 -5.006 1.00 21.53 O ATOM 322 CB LEU A 18 -3.745 -1.248 -5.928 1.00 4.44 C ATOM 323 CG LEU A 18 -3.923 -0.226 -7.051 1.00 54.43 C ATOM 324 CD1 LEU A 18 -3.238 1.085 -6.693 1.00 72.52 C ATOM 325 CD2 LEU A 18 -3.380 -0.772 -8.362 1.00 64.22 C ATOM 0 H LEU A 18 -5.730 -0.198 -4.920 1.00 14.22 H new ATOM 0 HA LEU A 18 -5.408 -2.503 -6.451 1.00 31.34 H new ATOM 0 HB2 LEU A 18 -3.394 -0.724 -5.039 1.00 4.44 H new ATOM 0 HB3 LEU A 18 -2.959 -1.944 -6.219 1.00 4.44 H new ATOM 0 HG LEU A 18 -4.989 -0.034 -7.175 1.00 54.43 H new ATOM 0 HD11 LEU A 18 -3.375 1.800 -7.504 1.00 72.52 H new ATOM 0 HD12 LEU A 18 -3.674 1.486 -5.778 1.00 72.52 H new ATOM 0 HD13 LEU A 18 -2.173 0.909 -6.540 1.00 72.52 H new ATOM 0 HD21 LEU A 18 -3.516 -0.030 -9.149 1.00 64.22 H new ATOM 0 HD22 LEU A 18 -2.319 -0.994 -8.252 1.00 64.22 H new ATOM 0 HD23 LEU A 18 -3.916 -1.684 -8.626 1.00 64.22 H new ATOM 337 N ALA A 19 -4.793 -2.926 -3.295 1.00 1.42 N ATOM 338 CA ALA A 19 -4.474 -3.914 -2.272 1.00 63.03 C ATOM 339 C ALA A 19 -5.498 -5.043 -2.262 1.00 13.22 C ATOM 340 O ALA A 19 -5.179 -6.179 -1.912 1.00 75.14 O ATOM 341 CB ALA A 19 -4.400 -3.253 -0.904 1.00 2.20 C ATOM 0 H ALA A 19 -5.163 -2.047 -2.932 1.00 1.42 H new ATOM 0 HA ALA A 19 -3.500 -4.344 -2.508 1.00 63.03 H new ATOM 0 HB1 ALA A 19 -4.161 -4.003 -0.150 1.00 2.20 H new ATOM 0 HB2 ALA A 19 -3.625 -2.486 -0.912 1.00 2.20 H new ATOM 0 HB3 ALA A 19 -5.361 -2.795 -0.669 1.00 2.20 H new ATOM 347 N GLU A 20 -6.730 -4.723 -2.647 1.00 63.11 N ATOM 348 CA GLU A 20 -7.801 -5.711 -2.679 1.00 21.43 C ATOM 349 C GLU A 20 -7.615 -6.678 -3.846 1.00 13.51 C ATOM 350 O GLU A 20 -7.668 -7.894 -3.671 1.00 22.21 O ATOM 351 CB GLU A 20 -9.162 -5.019 -2.789 1.00 11.24 C ATOM 352 CG GLU A 20 -10.300 -5.815 -2.173 1.00 14.40 C ATOM 353 CD GLU A 20 -11.647 -5.146 -2.363 1.00 55.12 C ATOM 354 OE1 GLU A 20 -12.654 -5.872 -2.511 1.00 44.12 O ATOM 355 OE2 GLU A 20 -11.697 -3.898 -2.363 1.00 71.51 O ATOM 0 H GLU A 20 -7.010 -3.787 -2.941 1.00 63.11 H new ATOM 0 HA GLU A 20 -7.764 -6.278 -1.749 1.00 21.43 H new ATOM 0 HB2 GLU A 20 -9.106 -4.045 -2.302 1.00 11.24 H new ATOM 0 HB3 GLU A 20 -9.384 -4.837 -3.841 1.00 11.24 H new ATOM 0 HG2 GLU A 20 -10.326 -6.809 -2.618 1.00 14.40 H new ATOM 0 HG3 GLU A 20 -10.111 -5.948 -1.108 1.00 14.40 H new ATOM 363 N GLU A 21 -7.397 -6.124 -5.035 1.00 22.45 N ATOM 364 CA GLU A 21 -7.204 -6.937 -6.231 1.00 2.03 C ATOM 365 C GLU A 21 -6.043 -7.912 -6.046 1.00 55.31 C ATOM 366 O GLU A 21 -6.156 -9.095 -6.363 1.00 62.03 O ATOM 367 CB GLU A 21 -6.944 -6.044 -7.446 1.00 55.53 C ATOM 368 CG GLU A 21 -5.828 -5.035 -7.231 1.00 62.34 C ATOM 369 CD GLU A 21 -5.711 -4.044 -8.374 1.00 22.23 C ATOM 370 OE1 GLU A 21 -4.807 -4.220 -9.219 1.00 63.14 O ATOM 371 OE2 GLU A 21 -6.520 -3.096 -8.423 1.00 44.50 O ATOM 0 H GLU A 21 -7.350 -5.118 -5.196 1.00 22.45 H new ATOM 0 HA GLU A 21 -8.115 -7.511 -6.399 1.00 2.03 H new ATOM 0 HB2 GLU A 21 -6.695 -6.672 -8.301 1.00 55.53 H new ATOM 0 HB3 GLU A 21 -7.861 -5.511 -7.698 1.00 55.53 H new ATOM 0 HG2 GLU A 21 -6.006 -4.493 -6.302 1.00 62.34 H new ATOM 0 HG3 GLU A 21 -4.882 -5.564 -7.115 1.00 62.34 H new ATOM 379 N ALA A 22 -4.929 -7.404 -5.529 1.00 73.13 N ATOM 380 CA ALA A 22 -3.749 -8.228 -5.300 1.00 70.25 C ATOM 381 C ALA A 22 -4.026 -9.307 -4.259 1.00 55.05 C ATOM 382 O ALA A 22 -3.479 -10.407 -4.329 1.00 5.41 O ATOM 383 CB ALA A 22 -2.576 -7.362 -4.865 1.00 44.13 C ATOM 0 H ALA A 22 -4.819 -6.426 -5.261 1.00 73.13 H new ATOM 0 HA ALA A 22 -3.494 -8.721 -6.238 1.00 70.25 H new ATOM 0 HB1 ALA A 22 -1.702 -7.991 -4.698 1.00 44.13 H new ATOM 0 HB2 ALA A 22 -2.354 -6.632 -5.644 1.00 44.13 H new ATOM 0 HB3 ALA A 22 -2.831 -6.842 -3.942 1.00 44.13 H new ATOM 389 N ALA A 23 -4.881 -8.984 -3.293 1.00 23.32 N ATOM 390 CA ALA A 23 -5.231 -9.928 -2.238 1.00 53.53 C ATOM 391 C ALA A 23 -6.099 -11.058 -2.778 1.00 64.24 C ATOM 392 O ALA A 23 -5.823 -12.234 -2.543 1.00 24.24 O ATOM 393 CB ALA A 23 -5.946 -9.208 -1.104 1.00 52.42 C ATOM 0 H ALA A 23 -5.343 -8.078 -3.219 1.00 23.32 H new ATOM 0 HA ALA A 23 -4.309 -10.365 -1.854 1.00 53.53 H new ATOM 0 HB1 ALA A 23 -6.202 -9.924 -0.323 1.00 52.42 H new ATOM 0 HB2 ALA A 23 -5.292 -8.439 -0.692 1.00 52.42 H new ATOM 0 HB3 ALA A 23 -6.856 -8.745 -1.484 1.00 52.42 H new ATOM 399 N LYS A 24 -7.152 -10.695 -3.504 1.00 71.51 N ATOM 400 CA LYS A 24 -8.062 -11.679 -4.080 1.00 2.23 C ATOM 401 C LYS A 24 -7.345 -12.541 -5.115 1.00 53.11 C ATOM 402 O LYS A 24 -7.609 -13.739 -5.228 1.00 24.44 O ATOM 403 CB LYS A 24 -9.261 -10.980 -4.724 1.00 22.14 C ATOM 404 CG LYS A 24 -8.879 -10.023 -5.840 1.00 0.30 C ATOM 405 CD LYS A 24 -10.105 -9.384 -6.470 1.00 54.40 C ATOM 406 CE LYS A 24 -10.016 -9.386 -7.988 1.00 70.13 C ATOM 407 NZ LYS A 24 -10.836 -10.474 -8.590 1.00 4.24 N ATOM 0 H LYS A 24 -7.396 -9.726 -3.707 1.00 71.51 H new ATOM 0 HA LYS A 24 -8.416 -12.325 -3.277 1.00 2.23 H new ATOM 0 HB2 LYS A 24 -9.941 -11.734 -5.120 1.00 22.14 H new ATOM 0 HB3 LYS A 24 -9.806 -10.431 -3.956 1.00 22.14 H new ATOM 0 HG2 LYS A 24 -8.224 -9.246 -5.446 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -8.314 -10.559 -6.603 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -10.999 -9.922 -6.156 1.00 54.40 H new ATOM 0 HD3 LYS A 24 -10.208 -8.360 -6.112 1.00 54.40 H new ATOM 0 HE2 LYS A 24 -10.352 -8.423 -8.373 1.00 70.13 H new ATOM 0 HE3 LYS A 24 -8.976 -9.505 -8.291 1.00 70.13 H new ATOM 0 HZ1 LYS A 24 -10.749 -10.442 -9.626 1.00 4.24 H new ATOM 0 HZ2 LYS A 24 -10.500 -11.395 -8.243 1.00 4.24 H new ATOM 0 HZ3 LYS A 24 -11.833 -10.346 -8.322 1.00 4.24 H new ATOM 421 N LEU A 25 -6.439 -11.927 -5.866 1.00 44.42 N ATOM 422 CA LEU A 25 -5.684 -12.639 -6.890 1.00 44.33 C ATOM 423 C LEU A 25 -4.582 -13.486 -6.264 1.00 22.33 C ATOM 424 O LEU A 25 -4.316 -14.604 -6.708 1.00 13.33 O ATOM 425 CB LEU A 25 -5.077 -11.647 -7.885 1.00 64.43 C ATOM 426 CG LEU A 25 -5.927 -11.326 -9.116 1.00 71.43 C ATOM 427 CD1 LEU A 25 -5.205 -10.341 -10.022 1.00 1.33 C ATOM 428 CD2 LEU A 25 -6.270 -12.600 -9.875 1.00 1.43 C ATOM 0 H LEU A 25 -6.209 -10.937 -5.785 1.00 44.42 H new ATOM 0 HA LEU A 25 -6.370 -13.301 -7.418 1.00 44.33 H new ATOM 0 HB2 LEU A 25 -4.870 -10.715 -7.358 1.00 64.43 H new ATOM 0 HB3 LEU A 25 -4.119 -12.042 -8.223 1.00 64.43 H new ATOM 0 HG LEU A 25 -6.856 -10.865 -8.781 1.00 71.43 H new ATOM 0 HD11 LEU A 25 -5.825 -10.125 -10.892 1.00 1.33 H new ATOM 0 HD12 LEU A 25 -5.012 -9.418 -9.475 1.00 1.33 H new ATOM 0 HD13 LEU A 25 -4.259 -10.773 -10.349 1.00 1.33 H new ATOM 0 HD21 LEU A 25 -6.875 -12.352 -10.747 1.00 1.43 H new ATOM 0 HD22 LEU A 25 -5.351 -13.090 -10.198 1.00 1.43 H new ATOM 0 HD23 LEU A 25 -6.830 -13.272 -9.224 1.00 1.43 H new ATOM 440 N LEU A 26 -3.944 -12.948 -5.230 1.00 33.32 N ATOM 441 CA LEU A 26 -2.872 -13.657 -4.540 1.00 54.30 C ATOM 442 C LEU A 26 -3.305 -15.071 -4.167 1.00 13.00 C ATOM 443 O LEU A 26 -2.569 -16.033 -4.382 1.00 65.21 O ATOM 444 CB LEU A 26 -2.454 -12.891 -3.284 1.00 52.21 C ATOM 445 CG LEU A 26 -1.223 -11.994 -3.422 1.00 22.51 C ATOM 446 CD1 LEU A 26 -1.082 -11.089 -2.209 1.00 50.43 C ATOM 447 CD2 LEU A 26 0.032 -12.836 -3.609 1.00 73.32 C ATOM 0 H LEU A 26 -4.150 -12.024 -4.851 1.00 33.32 H new ATOM 0 HA LEU A 26 -2.021 -13.725 -5.217 1.00 54.30 H new ATOM 0 HB2 LEU A 26 -3.294 -12.275 -2.963 1.00 52.21 H new ATOM 0 HB3 LEU A 26 -2.266 -13.612 -2.489 1.00 52.21 H new ATOM 0 HG LEU A 26 -1.352 -11.367 -4.304 1.00 22.51 H new ATOM 0 HD11 LEU A 26 -0.201 -10.459 -2.326 1.00 50.43 H new ATOM 0 HD12 LEU A 26 -1.968 -10.461 -2.119 1.00 50.43 H new ATOM 0 HD13 LEU A 26 -0.976 -11.698 -1.311 1.00 50.43 H new ATOM 0 HD21 LEU A 26 0.898 -12.181 -3.706 1.00 73.32 H new ATOM 0 HD22 LEU A 26 0.164 -13.488 -2.746 1.00 73.32 H new ATOM 0 HD23 LEU A 26 -0.067 -13.442 -4.510 1.00 73.32 H new ATOM 459 N GLU A 27 -4.505 -15.188 -3.607 1.00 35.40 N ATOM 460 CA GLU A 27 -5.036 -16.486 -3.206 1.00 14.43 C ATOM 461 C GLU A 27 -5.808 -17.136 -4.350 1.00 43.10 C ATOM 462 O GLU A 27 -6.151 -18.315 -4.290 1.00 21.20 O ATOM 463 CB GLU A 27 -5.946 -16.334 -1.984 1.00 52.43 C ATOM 464 CG GLU A 27 -5.276 -15.641 -0.808 1.00 20.41 C ATOM 465 CD GLU A 27 -6.049 -15.811 0.485 1.00 42.22 C ATOM 466 OE1 GLU A 27 -5.438 -16.234 1.489 1.00 51.21 O ATOM 467 OE2 GLU A 27 -7.264 -15.521 0.494 1.00 45.41 O ATOM 0 H GLU A 27 -5.127 -14.401 -3.421 1.00 35.40 H new ATOM 0 HA GLU A 27 -4.195 -17.129 -2.947 1.00 14.43 H new ATOM 0 HB2 GLU A 27 -6.833 -15.769 -2.270 1.00 52.43 H new ATOM 0 HB3 GLU A 27 -6.284 -17.321 -1.669 1.00 52.43 H new ATOM 0 HG2 GLU A 27 -4.270 -16.040 -0.681 1.00 20.41 H new ATOM 0 HG3 GLU A 27 -5.172 -14.579 -1.028 1.00 20.41 H new ATOM 475 N GLY A 28 -6.076 -16.356 -5.392 1.00 61.14 N ATOM 476 CA GLY A 28 -6.806 -16.872 -6.536 1.00 4.21 C ATOM 477 C GLY A 28 -8.246 -17.207 -6.202 1.00 3.04 C ATOM 478 O GLY A 28 -8.836 -18.107 -6.800 1.00 52.34 O ATOM 0 H GLY A 28 -5.801 -15.376 -5.465 1.00 61.14 H new ATOM 0 HA2 GLY A 28 -6.785 -16.135 -7.339 1.00 4.21 H new ATOM 0 HA3 GLY A 28 -6.306 -17.765 -6.909 1.00 4.21 H new ATOM 482 N GLY A 29 -8.813 -16.483 -5.242 1.00 35.23 N ATOM 483 CA GLY A 29 -10.188 -16.726 -4.845 1.00 52.31 C ATOM 484 C GLY A 29 -10.306 -17.818 -3.802 1.00 33.54 C ATOM 485 O GLY A 29 -11.374 -18.403 -3.622 1.00 21.40 O ATOM 0 H GLY A 29 -8.346 -15.733 -4.732 1.00 35.23 H new ATOM 0 HA2 GLY A 29 -10.618 -15.805 -4.452 1.00 52.31 H new ATOM 0 HA3 GLY A 29 -10.773 -17.001 -5.723 1.00 52.31 H new ATOM 489 N GLY A 30 -9.204 -18.098 -3.112 1.00 53.31 N ATOM 490 CA GLY A 30 -9.210 -19.130 -2.091 1.00 12.22 C ATOM 491 C GLY A 30 -8.008 -20.049 -2.189 1.00 52.23 C ATOM 492 O GLY A 30 -7.874 -20.806 -3.149 1.00 52.34 O ATOM 0 H GLY A 30 -8.308 -17.629 -3.242 1.00 53.31 H new ATOM 0 HA2 GLY A 30 -9.227 -18.663 -1.106 1.00 12.22 H new ATOM 0 HA3 GLY A 30 -10.123 -19.720 -2.180 1.00 12.22 H new ATOM 496 N GLY A 31 -7.131 -19.983 -1.192 1.00 72.04 N ATOM 497 CA GLY A 31 -5.946 -20.819 -1.190 1.00 25.20 C ATOM 498 C GLY A 31 -4.733 -20.106 -0.624 1.00 71.40 C ATOM 499 O GLY A 31 -4.867 -19.149 0.139 1.00 62.31 O ATOM 0 H GLY A 31 -7.221 -19.365 -0.386 1.00 72.04 H new ATOM 0 HA2 GLY A 31 -6.141 -21.718 -0.605 1.00 25.20 H new ATOM 0 HA3 GLY A 31 -5.731 -21.142 -2.209 1.00 25.20 H new ATOM 503 N GLY A 32 -3.546 -20.574 -0.995 1.00 65.53 N ATOM 504 CA GLY A 32 -2.322 -19.964 -0.508 1.00 61.45 C ATOM 505 C GLY A 32 -1.816 -20.617 0.763 1.00 43.43 C ATOM 506 O GLY A 32 -2.536 -21.375 1.409 1.00 0.10 O ATOM 0 H GLY A 32 -3.409 -21.365 -1.624 1.00 65.53 H new ATOM 0 HA2 GLY A 32 -1.554 -20.032 -1.279 1.00 61.45 H new ATOM 0 HA3 GLY A 32 -2.496 -18.904 -0.324 1.00 61.45 H new ATOM 510 N GLY A 33 -0.570 -20.321 1.121 1.00 12.32 N ATOM 511 CA GLY A 33 0.012 -20.894 2.320 1.00 34.12 C ATOM 512 C GLY A 33 -0.500 -20.234 3.586 1.00 4.40 C ATOM 513 O GLY A 33 0.166 -19.372 4.158 1.00 12.24 O ATOM 0 H GLY A 33 0.046 -19.695 0.602 1.00 12.32 H new ATOM 0 HA2 GLY A 33 -0.211 -21.960 2.354 1.00 34.12 H new ATOM 0 HA3 GLY A 33 1.097 -20.796 2.276 1.00 34.12 H new ATOM 517 N GLY A 34 -1.689 -20.638 4.022 1.00 15.42 N ATOM 518 CA GLY A 34 -2.270 -20.068 5.225 1.00 61.42 C ATOM 519 C GLY A 34 -2.802 -18.667 5.002 1.00 40.44 C ATOM 520 O GLY A 34 -2.609 -18.083 3.936 1.00 21.01 O ATOM 0 H GLY A 34 -2.260 -21.349 3.565 1.00 15.42 H new ATOM 0 HA2 GLY A 34 -3.079 -20.710 5.574 1.00 61.42 H new ATOM 0 HA3 GLY A 34 -1.518 -20.047 6.014 1.00 61.42 H new ATOM 524 N GLY A 35 -3.477 -18.124 6.011 1.00 33.02 N ATOM 525 CA GLY A 35 -4.030 -16.787 5.900 1.00 32.24 C ATOM 526 C GLY A 35 -3.174 -15.746 6.594 1.00 73.12 C ATOM 527 O GLY A 35 -3.245 -14.560 6.272 1.00 71.44 O ATOM 0 H GLY A 35 -3.651 -18.587 6.903 1.00 33.02 H new ATOM 0 HA2 GLY A 35 -4.132 -16.526 4.847 1.00 32.24 H new ATOM 0 HA3 GLY A 35 -5.032 -16.775 6.330 1.00 32.24 H new ATOM 531 N GLU A 36 -2.364 -16.190 7.550 1.00 13.20 N ATOM 532 CA GLU A 36 -1.492 -15.287 8.293 1.00 45.25 C ATOM 533 C GLU A 36 -0.500 -14.598 7.359 1.00 33.13 C ATOM 534 O GLU A 36 -0.238 -13.402 7.486 1.00 71.23 O ATOM 535 CB GLU A 36 -0.738 -16.051 9.382 1.00 52.52 C ATOM 536 CG GLU A 36 0.297 -15.210 10.110 1.00 2.11 C ATOM 537 CD GLU A 36 0.355 -15.511 11.595 1.00 25.14 C ATOM 538 OE1 GLU A 36 1.366 -16.092 12.043 1.00 70.23 O ATOM 539 OE2 GLU A 36 -0.609 -15.166 12.309 1.00 11.00 O ATOM 0 H GLU A 36 -2.293 -17.169 7.828 1.00 13.20 H new ATOM 0 HA GLU A 36 -2.115 -14.524 8.760 1.00 45.25 H new ATOM 0 HB2 GLU A 36 -1.455 -16.437 10.106 1.00 52.52 H new ATOM 0 HB3 GLU A 36 -0.243 -16.913 8.934 1.00 52.52 H new ATOM 0 HG2 GLU A 36 1.278 -15.386 9.669 1.00 2.11 H new ATOM 0 HG3 GLU A 36 0.068 -14.154 9.966 1.00 2.11 H new ATOM 547 N LEU A 37 0.050 -15.364 6.423 1.00 52.42 N ATOM 548 CA LEU A 37 1.015 -14.830 5.467 1.00 52.30 C ATOM 549 C LEU A 37 0.410 -13.680 4.668 1.00 42.31 C ATOM 550 O LEU A 37 1.014 -12.615 4.540 1.00 74.31 O ATOM 551 CB LEU A 37 1.487 -15.933 4.519 1.00 2.13 C ATOM 552 CG LEU A 37 2.425 -15.494 3.394 1.00 41.42 C ATOM 553 CD1 LEU A 37 3.672 -14.836 3.965 1.00 63.15 C ATOM 554 CD2 LEU A 37 2.799 -16.681 2.518 1.00 10.12 C ATOM 0 H LEU A 37 -0.155 -16.356 6.305 1.00 52.42 H new ATOM 0 HA LEU A 37 1.870 -14.449 6.025 1.00 52.30 H new ATOM 0 HB2 LEU A 37 1.992 -16.699 5.108 1.00 2.13 H new ATOM 0 HB3 LEU A 37 0.610 -16.401 4.072 1.00 2.13 H new ATOM 0 HG LEU A 37 1.904 -14.762 2.777 1.00 41.42 H new ATOM 0 HD11 LEU A 37 4.328 -14.530 3.150 1.00 63.15 H new ATOM 0 HD12 LEU A 37 3.387 -13.961 4.549 1.00 63.15 H new ATOM 0 HD13 LEU A 37 4.196 -15.545 4.606 1.00 63.15 H new ATOM 0 HD21 LEU A 37 3.467 -16.350 1.723 1.00 10.12 H new ATOM 0 HD22 LEU A 37 3.301 -17.436 3.123 1.00 10.12 H new ATOM 0 HD23 LEU A 37 1.897 -17.108 2.080 1.00 10.12 H new ATOM 566 N MET A 38 -0.786 -13.903 4.134 1.00 50.54 N ATOM 567 CA MET A 38 -1.474 -12.884 3.350 1.00 64.13 C ATOM 568 C MET A 38 -1.986 -11.761 4.247 1.00 70.03 C ATOM 569 O MET A 38 -2.117 -10.616 3.813 1.00 62.44 O ATOM 570 CB MET A 38 -2.639 -13.505 2.576 1.00 51.31 C ATOM 571 CG MET A 38 -3.361 -12.520 1.672 1.00 74.23 C ATOM 572 SD MET A 38 -5.148 -12.527 1.925 1.00 24.21 S ATOM 573 CE MET A 38 -5.252 -11.951 3.617 1.00 40.54 C ATOM 0 H MET A 38 -1.299 -14.780 4.230 1.00 50.54 H new ATOM 0 HA MET A 38 -0.760 -12.463 2.642 1.00 64.13 H new ATOM 0 HB2 MET A 38 -2.264 -14.332 1.973 1.00 51.31 H new ATOM 0 HB3 MET A 38 -3.352 -13.925 3.285 1.00 51.31 H new ATOM 0 HG2 MET A 38 -2.976 -11.517 1.853 1.00 74.23 H new ATOM 0 HG3 MET A 38 -3.144 -12.761 0.631 1.00 74.23 H new ATOM 0 HE1 MET A 38 -6.291 -11.732 3.864 1.00 40.54 H new ATOM 0 HE2 MET A 38 -4.875 -12.723 4.288 1.00 40.54 H new ATOM 0 HE3 MET A 38 -4.654 -11.047 3.731 1.00 40.54 H new ATOM 583 N LYS A 39 -2.273 -12.095 5.500 1.00 33.22 N ATOM 584 CA LYS A 39 -2.769 -11.116 6.459 1.00 54.34 C ATOM 585 C LYS A 39 -1.824 -9.923 6.558 1.00 51.20 C ATOM 586 O LYS A 39 -2.245 -8.807 6.866 1.00 54.41 O ATOM 587 CB LYS A 39 -2.939 -11.760 7.837 1.00 32.43 C ATOM 588 CG LYS A 39 -3.869 -10.990 8.759 1.00 3.12 C ATOM 589 CD LYS A 39 -3.270 -10.829 10.146 1.00 2.35 C ATOM 590 CE LYS A 39 -3.647 -9.491 10.764 1.00 63.20 C ATOM 591 NZ LYS A 39 -4.696 -9.640 11.810 1.00 74.54 N ATOM 0 H LYS A 39 -2.170 -13.038 5.876 1.00 33.22 H new ATOM 0 HA LYS A 39 -3.738 -10.762 6.108 1.00 54.34 H new ATOM 0 HB2 LYS A 39 -3.323 -12.772 7.711 1.00 32.43 H new ATOM 0 HB3 LYS A 39 -1.961 -11.847 8.311 1.00 32.43 H new ATOM 0 HG2 LYS A 39 -4.073 -10.008 8.334 1.00 3.12 H new ATOM 0 HG3 LYS A 39 -4.824 -11.511 8.832 1.00 3.12 H new ATOM 0 HD2 LYS A 39 -3.616 -11.638 10.789 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -2.185 -10.911 10.087 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -2.761 -9.030 11.201 1.00 63.20 H new ATOM 0 HE3 LYS A 39 -4.004 -8.818 9.984 1.00 63.20 H new ATOM 0 HZ1 LYS A 39 -4.926 -8.707 12.207 1.00 74.54 H new ATOM 0 HZ2 LYS A 39 -5.550 -10.056 11.388 1.00 74.54 H new ATOM 0 HZ3 LYS A 39 -4.346 -10.261 12.567 1.00 74.54 H new ATOM 605 N LEU A 40 -0.545 -10.164 6.293 1.00 32.42 N ATOM 606 CA LEU A 40 0.461 -9.110 6.351 1.00 32.11 C ATOM 607 C LEU A 40 0.308 -8.147 5.177 1.00 30.02 C ATOM 608 O LEU A 40 0.566 -6.950 5.306 1.00 1.12 O ATOM 609 CB LEU A 40 1.866 -9.716 6.348 1.00 61.33 C ATOM 610 CG LEU A 40 2.328 -10.345 7.663 1.00 40.54 C ATOM 611 CD1 LEU A 40 3.395 -11.398 7.405 1.00 53.43 C ATOM 612 CD2 LEU A 40 2.850 -9.275 8.610 1.00 21.14 C ATOM 0 H LEU A 40 -0.180 -11.081 6.036 1.00 32.42 H new ATOM 0 HA LEU A 40 0.315 -8.553 7.277 1.00 32.11 H new ATOM 0 HB2 LEU A 40 1.910 -10.477 5.569 1.00 61.33 H new ATOM 0 HB3 LEU A 40 2.576 -8.936 6.072 1.00 61.33 H new ATOM 0 HG LEU A 40 1.473 -10.832 8.132 1.00 40.54 H new ATOM 0 HD11 LEU A 40 3.712 -11.835 8.352 1.00 53.43 H new ATOM 0 HD12 LEU A 40 2.988 -12.179 6.763 1.00 53.43 H new ATOM 0 HD13 LEU A 40 4.251 -10.936 6.914 1.00 53.43 H new ATOM 0 HD21 LEU A 40 3.175 -9.740 9.541 1.00 21.14 H new ATOM 0 HD22 LEU A 40 3.693 -8.760 8.148 1.00 21.14 H new ATOM 0 HD23 LEU A 40 2.057 -8.557 8.820 1.00 21.14 H new ATOM 624 N CYS A 41 -0.114 -8.677 4.036 1.00 64.21 N ATOM 625 CA CYS A 41 -0.303 -7.865 2.839 1.00 32.01 C ATOM 626 C CYS A 41 -1.528 -6.967 2.980 1.00 3.33 C ATOM 627 O CYS A 41 -1.514 -5.811 2.556 1.00 25.01 O ATOM 628 CB CYS A 41 -0.452 -8.760 1.607 1.00 0.23 C ATOM 629 SG CYS A 41 0.846 -10.008 1.442 1.00 40.11 S ATOM 0 H CYS A 41 -0.332 -9.666 3.913 1.00 64.21 H new ATOM 0 HA CYS A 41 0.577 -7.234 2.716 1.00 32.01 H new ATOM 0 HB2 CYS A 41 -1.419 -9.260 1.649 1.00 0.23 H new ATOM 0 HB3 CYS A 41 -0.455 -8.134 0.715 1.00 0.23 H new ATOM 0 HG CYS A 41 1.646 -9.677 0.472 1.00 40.11 H new ATOM 635 N GLU A 42 -2.586 -7.506 3.578 1.00 61.25 N ATOM 636 CA GLU A 42 -3.819 -6.753 3.771 1.00 15.01 C ATOM 637 C GLU A 42 -3.576 -5.525 4.645 1.00 63.34 C ATOM 638 O GLU A 42 -4.293 -4.530 4.548 1.00 22.11 O ATOM 639 CB GLU A 42 -4.891 -7.641 4.408 1.00 2.31 C ATOM 640 CG GLU A 42 -6.166 -6.896 4.763 1.00 32.42 C ATOM 641 CD GLU A 42 -7.416 -7.677 4.408 1.00 33.04 C ATOM 642 OE1 GLU A 42 -8.312 -7.787 5.272 1.00 24.44 O ATOM 643 OE2 GLU A 42 -7.499 -8.180 3.268 1.00 62.04 O ATOM 0 H GLU A 42 -2.614 -8.460 3.937 1.00 61.25 H new ATOM 0 HA GLU A 42 -4.167 -6.419 2.793 1.00 15.01 H new ATOM 0 HB2 GLU A 42 -5.133 -8.452 3.722 1.00 2.31 H new ATOM 0 HB3 GLU A 42 -4.484 -8.097 5.310 1.00 2.31 H new ATOM 0 HG2 GLU A 42 -6.169 -6.678 5.831 1.00 32.42 H new ATOM 0 HG3 GLU A 42 -6.180 -5.939 4.242 1.00 32.42 H new ATOM 651 N GLU A 43 -2.559 -5.605 5.497 1.00 1.34 N ATOM 652 CA GLU A 43 -2.221 -4.501 6.388 1.00 73.41 C ATOM 653 C GLU A 43 -1.987 -3.218 5.599 1.00 44.51 C ATOM 654 O GLU A 43 -2.163 -2.116 6.119 1.00 41.05 O ATOM 655 CB GLU A 43 -0.977 -4.843 7.211 1.00 70.24 C ATOM 656 CG GLU A 43 -1.126 -6.104 8.044 1.00 21.33 C ATOM 657 CD GLU A 43 -1.200 -5.815 9.532 1.00 61.54 C ATOM 658 OE1 GLU A 43 -0.593 -6.576 10.314 1.00 61.11 O ATOM 659 OE2 GLU A 43 -1.865 -4.830 9.912 1.00 70.04 O ATOM 0 H GLU A 43 -1.955 -6.422 5.589 1.00 1.34 H new ATOM 0 HA GLU A 43 -3.061 -4.342 7.064 1.00 73.41 H new ATOM 0 HB2 GLU A 43 -0.128 -4.961 6.538 1.00 70.24 H new ATOM 0 HB3 GLU A 43 -0.747 -4.007 7.871 1.00 70.24 H new ATOM 0 HG2 GLU A 43 -2.027 -6.635 7.735 1.00 21.33 H new ATOM 0 HG3 GLU A 43 -0.283 -6.766 7.848 1.00 21.33 H new ATOM 667 N ALA A 44 -1.587 -3.368 4.341 1.00 2.10 N ATOM 668 CA ALA A 44 -1.329 -2.221 3.479 1.00 62.32 C ATOM 669 C ALA A 44 -2.519 -1.268 3.461 1.00 11.22 C ATOM 670 O ALA A 44 -2.354 -0.051 3.541 1.00 12.43 O ATOM 671 CB ALA A 44 -1.001 -2.685 2.067 1.00 52.32 C ATOM 0 H ALA A 44 -1.434 -4.273 3.896 1.00 2.10 H new ATOM 0 HA ALA A 44 -0.471 -1.682 3.881 1.00 62.32 H new ATOM 0 HB1 ALA A 44 -0.811 -1.818 1.434 1.00 52.32 H new ATOM 0 HB2 ALA A 44 -0.115 -3.320 2.089 1.00 52.32 H new ATOM 0 HB3 ALA A 44 -1.842 -3.250 1.665 1.00 52.32 H new ATOM 677 N ALA A 45 -3.719 -1.829 3.357 1.00 43.14 N ATOM 678 CA ALA A 45 -4.937 -1.029 3.330 1.00 31.41 C ATOM 679 C ALA A 45 -5.277 -0.501 4.720 1.00 70.22 C ATOM 680 O ALA A 45 -5.951 0.519 4.861 1.00 64.24 O ATOM 681 CB ALA A 45 -6.094 -1.847 2.776 1.00 40.40 C ATOM 0 H ALA A 45 -3.874 -2.835 3.290 1.00 43.14 H new ATOM 0 HA ALA A 45 -4.766 -0.174 2.676 1.00 31.41 H new ATOM 0 HB1 ALA A 45 -6.997 -1.237 2.762 1.00 40.40 H new ATOM 0 HB2 ALA A 45 -5.858 -2.170 1.762 1.00 40.40 H new ATOM 0 HB3 ALA A 45 -6.257 -2.721 3.407 1.00 40.40 H new ATOM 687 N LYS A 46 -4.809 -1.204 5.745 1.00 13.54 N ATOM 688 CA LYS A 46 -5.062 -0.807 7.125 1.00 14.31 C ATOM 689 C LYS A 46 -4.334 0.490 7.461 1.00 51.42 C ATOM 690 O LYS A 46 -4.910 1.403 8.053 1.00 53.24 O ATOM 691 CB LYS A 46 -4.622 -1.915 8.085 1.00 5.35 C ATOM 692 CG LYS A 46 -5.732 -2.406 8.998 1.00 41.13 C ATOM 693 CD LYS A 46 -5.840 -1.553 10.252 1.00 34.12 C ATOM 694 CE LYS A 46 -4.757 -1.905 11.260 1.00 33.35 C ATOM 695 NZ LYS A 46 -3.933 -0.720 11.625 1.00 62.53 N ATOM 0 H LYS A 46 -4.252 -2.053 5.646 1.00 13.54 H new ATOM 0 HA LYS A 46 -6.133 -0.641 7.238 1.00 14.31 H new ATOM 0 HB2 LYS A 46 -4.241 -2.756 7.506 1.00 5.35 H new ATOM 0 HB3 LYS A 46 -3.797 -1.549 8.695 1.00 5.35 H new ATOM 0 HG2 LYS A 46 -6.681 -2.388 8.461 1.00 41.13 H new ATOM 0 HG3 LYS A 46 -5.543 -3.443 9.277 1.00 41.13 H new ATOM 0 HD2 LYS A 46 -5.761 -0.499 9.985 1.00 34.12 H new ATOM 0 HD3 LYS A 46 -6.821 -1.694 10.706 1.00 34.12 H new ATOM 0 HE2 LYS A 46 -5.217 -2.318 12.158 1.00 33.35 H new ATOM 0 HE3 LYS A 46 -4.114 -2.681 10.846 1.00 33.35 H new ATOM 0 HZ1 LYS A 46 -3.206 -1.001 12.314 1.00 62.53 H new ATOM 0 HZ2 LYS A 46 -3.474 -0.341 10.773 1.00 62.53 H new ATOM 0 HZ3 LYS A 46 -4.543 0.011 12.044 1.00 62.53 H new ATOM 709 N LYS A 47 -3.064 0.567 7.077 1.00 34.31 N ATOM 710 CA LYS A 47 -2.257 1.754 7.334 1.00 13.02 C ATOM 711 C LYS A 47 -2.925 3.000 6.763 1.00 64.22 C ATOM 712 O LYS A 47 -3.145 3.979 7.475 1.00 53.02 O ATOM 713 CB LYS A 47 -0.861 1.587 6.729 1.00 43.32 C ATOM 714 CG LYS A 47 0.065 0.721 7.564 1.00 12.50 C ATOM 715 CD LYS A 47 0.812 1.543 8.602 1.00 21.32 C ATOM 716 CE LYS A 47 0.333 1.231 10.011 1.00 24.31 C ATOM 717 NZ LYS A 47 1.214 0.241 10.691 1.00 62.34 N ATOM 0 H LYS A 47 -2.571 -0.179 6.586 1.00 34.31 H new ATOM 0 HA LYS A 47 -2.166 1.875 8.413 1.00 13.02 H new ATOM 0 HB2 LYS A 47 -0.955 1.150 5.735 1.00 43.32 H new ATOM 0 HB3 LYS A 47 -0.409 2.571 6.603 1.00 43.32 H new ATOM 0 HG2 LYS A 47 -0.514 -0.057 8.062 1.00 12.50 H new ATOM 0 HG3 LYS A 47 0.780 0.219 6.913 1.00 12.50 H new ATOM 0 HD2 LYS A 47 1.881 1.341 8.527 1.00 21.32 H new ATOM 0 HD3 LYS A 47 0.673 2.604 8.396 1.00 21.32 H new ATOM 0 HE2 LYS A 47 0.301 2.150 10.596 1.00 24.31 H new ATOM 0 HE3 LYS A 47 -0.685 0.844 9.971 1.00 24.31 H new ATOM 0 HZ1 LYS A 47 0.853 0.055 11.649 1.00 62.34 H new ATOM 0 HZ2 LYS A 47 1.225 -0.645 10.147 1.00 62.34 H new ATOM 0 HZ3 LYS A 47 2.180 0.621 10.753 1.00 62.34 H new ATOM 731 N ALA A 48 -3.245 2.956 5.474 1.00 53.45 N ATOM 732 CA ALA A 48 -3.892 4.081 4.809 1.00 30.22 C ATOM 733 C ALA A 48 -5.245 4.389 5.441 1.00 30.11 C ATOM 734 O ALA A 48 -5.680 5.540 5.468 1.00 23.12 O ATOM 735 CB ALA A 48 -4.055 3.793 3.323 1.00 14.23 C ATOM 0 H ALA A 48 -3.067 2.154 4.869 1.00 53.45 H new ATOM 0 HA ALA A 48 -3.256 4.958 4.931 1.00 30.22 H new ATOM 0 HB1 ALA A 48 -4.539 4.641 2.839 1.00 14.23 H new ATOM 0 HB2 ALA A 48 -3.075 3.630 2.874 1.00 14.23 H new ATOM 0 HB3 ALA A 48 -4.667 2.901 3.190 1.00 14.23 H new ATOM 741 N GLU A 49 -5.906 3.353 5.948 1.00 41.31 N ATOM 742 CA GLU A 49 -7.211 3.514 6.579 1.00 64.13 C ATOM 743 C GLU A 49 -7.074 4.161 7.954 1.00 61.34 C ATOM 744 O GLU A 49 -7.972 4.868 8.410 1.00 72.31 O ATOM 745 CB GLU A 49 -7.911 2.161 6.706 1.00 34.50 C ATOM 746 CG GLU A 49 -8.857 1.853 5.557 1.00 25.22 C ATOM 747 CD GLU A 49 -9.773 0.681 5.852 1.00 44.23 C ATOM 748 OE1 GLU A 49 -10.920 0.921 6.284 1.00 42.01 O ATOM 749 OE2 GLU A 49 -9.344 -0.473 5.652 1.00 21.20 O ATOM 0 H GLU A 49 -5.560 2.394 5.934 1.00 41.31 H new ATOM 0 HA GLU A 49 -7.813 4.168 5.948 1.00 64.13 H new ATOM 0 HB2 GLU A 49 -7.157 1.376 6.765 1.00 34.50 H new ATOM 0 HB3 GLU A 49 -8.470 2.137 7.642 1.00 34.50 H new ATOM 0 HG2 GLU A 49 -9.460 2.735 5.342 1.00 25.22 H new ATOM 0 HG3 GLU A 49 -8.275 1.638 4.661 1.00 25.22 H new ATOM 757 N GLU A 50 -5.944 3.911 8.608 1.00 12.51 N ATOM 758 CA GLU A 50 -5.691 4.467 9.932 1.00 12.22 C ATOM 759 C GLU A 50 -5.434 5.970 9.852 1.00 23.51 C ATOM 760 O GLU A 50 -6.048 6.755 10.574 1.00 42.51 O ATOM 761 CB GLU A 50 -4.495 3.769 10.583 1.00 1.33 C ATOM 762 CG GLU A 50 -4.475 3.880 12.099 1.00 62.05 C ATOM 763 CD GLU A 50 -3.162 3.418 12.700 1.00 55.31 C ATOM 764 OE1 GLU A 50 -2.482 4.244 13.344 1.00 52.51 O ATOM 765 OE2 GLU A 50 -2.816 2.232 12.528 1.00 31.52 O ATOM 0 H GLU A 50 -5.191 3.328 8.243 1.00 12.51 H new ATOM 0 HA GLU A 50 -6.578 4.299 10.543 1.00 12.22 H new ATOM 0 HB2 GLU A 50 -4.505 2.715 10.305 1.00 1.33 H new ATOM 0 HB3 GLU A 50 -3.575 4.196 10.184 1.00 1.33 H new ATOM 0 HG2 GLU A 50 -4.657 4.916 12.386 1.00 62.05 H new ATOM 0 HG3 GLU A 50 -5.289 3.286 12.514 1.00 62.05 H new ATOM 773 N LEU A 51 -4.523 6.361 8.968 1.00 44.33 N ATOM 774 CA LEU A 51 -4.183 7.769 8.792 1.00 74.43 C ATOM 775 C LEU A 51 -5.337 8.531 8.146 1.00 60.22 C ATOM 776 O LEU A 51 -5.512 9.727 8.380 1.00 72.43 O ATOM 777 CB LEU A 51 -2.923 7.907 7.935 1.00 34.10 C ATOM 778 CG LEU A 51 -2.941 7.175 6.593 1.00 31.44 C ATOM 779 CD1 LEU A 51 -3.363 8.117 5.476 1.00 25.15 C ATOM 780 CD2 LEU A 51 -1.577 6.571 6.297 1.00 5.34 C ATOM 0 H LEU A 51 -4.007 5.723 8.362 1.00 44.33 H new ATOM 0 HA LEU A 51 -3.994 8.197 9.776 1.00 74.43 H new ATOM 0 HB2 LEU A 51 -2.751 8.967 7.746 1.00 34.10 H new ATOM 0 HB3 LEU A 51 -2.073 7.544 8.513 1.00 34.10 H new ATOM 0 HG LEU A 51 -3.669 6.366 6.652 1.00 31.44 H new ATOM 0 HD11 LEU A 51 -3.370 7.578 4.529 1.00 25.15 H new ATOM 0 HD12 LEU A 51 -4.362 8.501 5.682 1.00 25.15 H new ATOM 0 HD13 LEU A 51 -2.660 8.948 5.416 1.00 25.15 H new ATOM 0 HD21 LEU A 51 -1.608 6.054 5.338 1.00 5.34 H new ATOM 0 HD22 LEU A 51 -0.829 7.363 6.258 1.00 5.34 H new ATOM 0 HD23 LEU A 51 -1.314 5.863 7.083 1.00 5.34 H new ATOM 792 N PHE A 52 -6.121 7.829 7.335 1.00 63.15 N ATOM 793 CA PHE A 52 -7.259 8.439 6.657 1.00 63.34 C ATOM 794 C PHE A 52 -8.213 9.077 7.661 1.00 41.02 C ATOM 795 O PHE A 52 -8.936 10.020 7.337 1.00 2.43 O ATOM 796 CB PHE A 52 -8.003 7.394 5.822 1.00 35.12 C ATOM 797 CG PHE A 52 -9.278 7.906 5.218 1.00 63.44 C ATOM 798 CD1 PHE A 52 -9.251 8.728 4.102 1.00 62.31 C ATOM 799 CD2 PHE A 52 -10.505 7.566 5.764 1.00 73.12 C ATOM 800 CE1 PHE A 52 -10.423 9.201 3.544 1.00 12.41 C ATOM 801 CE2 PHE A 52 -11.681 8.036 5.209 1.00 13.20 C ATOM 802 CZ PHE A 52 -11.639 8.854 4.097 1.00 75.04 C ATOM 0 H PHE A 52 -5.990 6.838 7.131 1.00 63.15 H new ATOM 0 HA PHE A 52 -6.880 9.219 5.997 1.00 63.34 H new ATOM 0 HB2 PHE A 52 -7.347 7.044 5.024 1.00 35.12 H new ATOM 0 HB3 PHE A 52 -8.228 6.532 6.450 1.00 35.12 H new ATOM 0 HD1 PHE A 52 -8.303 9.002 3.664 1.00 62.31 H new ATOM 0 HD2 PHE A 52 -10.543 6.926 6.633 1.00 73.12 H new ATOM 0 HE1 PHE A 52 -10.388 9.842 2.675 1.00 12.41 H new ATOM 0 HE2 PHE A 52 -12.631 7.764 5.644 1.00 13.20 H new ATOM 0 HZ PHE A 52 -12.556 9.222 3.661 1.00 75.04 H new ATOM 812 N LYS A 53 -8.212 8.556 8.883 1.00 73.01 N ATOM 813 CA LYS A 53 -9.076 9.074 9.937 1.00 20.43 C ATOM 814 C LYS A 53 -8.819 10.559 10.171 1.00 30.34 C ATOM 815 O LYS A 53 -9.729 11.381 10.064 1.00 60.15 O ATOM 816 CB LYS A 53 -8.852 8.295 11.237 1.00 63.24 C ATOM 817 CG LYS A 53 -10.071 8.258 12.141 1.00 74.33 C ATOM 818 CD LYS A 53 -10.951 7.056 11.841 1.00 73.42 C ATOM 819 CE LYS A 53 -12.412 7.455 11.700 1.00 51.44 C ATOM 820 NZ LYS A 53 -13.280 6.286 11.389 1.00 22.13 N ATOM 0 H LYS A 53 -7.622 7.775 9.168 1.00 73.01 H new ATOM 0 HA LYS A 53 -10.111 8.949 9.619 1.00 20.43 H new ATOM 0 HB2 LYS A 53 -8.560 7.274 10.993 1.00 63.24 H new ATOM 0 HB3 LYS A 53 -8.020 8.743 11.781 1.00 63.24 H new ATOM 0 HG2 LYS A 53 -9.752 8.226 13.183 1.00 74.33 H new ATOM 0 HG3 LYS A 53 -10.648 9.174 12.013 1.00 74.33 H new ATOM 0 HD2 LYS A 53 -10.613 6.577 10.922 1.00 73.42 H new ATOM 0 HD3 LYS A 53 -10.849 6.321 12.639 1.00 73.42 H new ATOM 0 HE2 LYS A 53 -12.751 7.923 12.624 1.00 51.44 H new ATOM 0 HE3 LYS A 53 -12.510 8.200 10.911 1.00 51.44 H new ATOM 0 HZ1 LYS A 53 -14.267 6.600 11.301 1.00 22.13 H new ATOM 0 HZ2 LYS A 53 -12.973 5.854 10.494 1.00 22.13 H new ATOM 0 HZ3 LYS A 53 -13.207 5.586 12.154 1.00 22.13 H new ATOM 834 N LEU A 54 -7.574 10.896 10.490 1.00 31.23 N ATOM 835 CA LEU A 54 -7.197 12.283 10.737 1.00 34.20 C ATOM 836 C LEU A 54 -7.130 13.070 9.432 1.00 0.15 C ATOM 837 O LEU A 54 -7.611 14.200 9.352 1.00 1.31 O ATOM 838 CB LEU A 54 -5.847 12.345 11.454 1.00 21.20 C ATOM 839 CG LEU A 54 -5.900 12.409 12.981 1.00 64.02 C ATOM 840 CD1 LEU A 54 -4.511 12.219 13.571 1.00 33.53 C ATOM 841 CD2 LEU A 54 -6.499 13.730 13.439 1.00 73.41 C ATOM 0 H LEU A 54 -6.809 10.228 10.584 1.00 31.23 H new ATOM 0 HA LEU A 54 -7.960 12.734 11.372 1.00 34.20 H new ATOM 0 HB2 LEU A 54 -5.265 11.469 11.167 1.00 21.20 H new ATOM 0 HB3 LEU A 54 -5.306 13.219 11.092 1.00 21.20 H new ATOM 0 HG LEU A 54 -6.538 11.601 13.338 1.00 64.02 H new ATOM 0 HD11 LEU A 54 -4.568 12.268 14.658 1.00 33.53 H new ATOM 0 HD12 LEU A 54 -4.118 11.248 13.271 1.00 33.53 H new ATOM 0 HD13 LEU A 54 -3.850 13.006 13.207 1.00 33.53 H new ATOM 0 HD21 LEU A 54 -6.529 13.758 14.528 1.00 73.41 H new ATOM 0 HD22 LEU A 54 -5.887 14.554 13.072 1.00 73.41 H new ATOM 0 HD23 LEU A 54 -7.511 13.826 13.046 1.00 73.41 H new ATOM 853 N ALA A 55 -6.532 12.464 8.412 1.00 1.45 N ATOM 854 CA ALA A 55 -6.405 13.107 7.110 1.00 62.32 C ATOM 855 C ALA A 55 -7.771 13.492 6.553 1.00 70.41 C ATOM 856 O ALA A 55 -7.890 14.434 5.770 1.00 12.25 O ATOM 857 CB ALA A 55 -5.676 12.191 6.139 1.00 62.13 C ATOM 0 H ALA A 55 -6.128 11.529 8.462 1.00 1.45 H new ATOM 0 HA ALA A 55 -5.823 14.020 7.238 1.00 62.32 H new ATOM 0 HB1 ALA A 55 -5.588 12.683 5.171 1.00 62.13 H new ATOM 0 HB2 ALA A 55 -4.681 11.969 6.525 1.00 62.13 H new ATOM 0 HB3 ALA A 55 -6.236 11.263 6.024 1.00 62.13 H new ATOM 863 N GLU A 56 -8.801 12.755 6.961 1.00 3.53 N ATOM 864 CA GLU A 56 -10.158 13.020 6.500 1.00 75.43 C ATOM 865 C GLU A 56 -10.622 14.405 6.941 1.00 52.42 C ATOM 866 O GLU A 56 -11.392 15.064 6.243 1.00 51.25 O ATOM 867 CB GLU A 56 -11.118 11.954 7.034 1.00 40.23 C ATOM 868 CG GLU A 56 -12.580 12.362 6.960 1.00 74.53 C ATOM 869 CD GLU A 56 -13.482 11.221 6.526 1.00 42.43 C ATOM 870 OE1 GLU A 56 -13.943 10.462 7.404 1.00 40.40 O ATOM 871 OE2 GLU A 56 -13.727 11.089 5.309 1.00 23.11 O ATOM 0 H GLU A 56 -8.721 11.971 7.609 1.00 3.53 H new ATOM 0 HA GLU A 56 -10.158 12.986 5.411 1.00 75.43 H new ATOM 0 HB2 GLU A 56 -10.977 11.033 6.468 1.00 40.23 H new ATOM 0 HB3 GLU A 56 -10.863 11.733 8.070 1.00 40.23 H new ATOM 0 HG2 GLU A 56 -12.902 12.724 7.936 1.00 74.53 H new ATOM 0 HG3 GLU A 56 -12.687 13.191 6.261 1.00 74.53 H new ATOM 879 N GLU A 57 -10.148 14.839 8.105 1.00 54.15 N ATOM 880 CA GLU A 57 -10.516 16.145 8.640 1.00 45.24 C ATOM 881 C GLU A 57 -10.121 17.259 7.673 1.00 30.23 C ATOM 882 O GLU A 57 -10.952 18.081 7.285 1.00 4.15 O ATOM 883 CB GLU A 57 -9.848 16.372 9.997 1.00 21.24 C ATOM 884 CG GLU A 57 -10.329 17.623 10.711 1.00 4.52 C ATOM 885 CD GLU A 57 -9.853 17.694 12.149 1.00 31.34 C ATOM 886 OE1 GLU A 57 -8.898 18.451 12.421 1.00 32.00 O ATOM 887 OE2 GLU A 57 -10.436 16.991 13.002 1.00 44.44 O ATOM 0 H GLU A 57 -9.509 14.306 8.695 1.00 54.15 H new ATOM 0 HA GLU A 57 -11.598 16.165 8.769 1.00 45.24 H new ATOM 0 HB2 GLU A 57 -10.034 15.507 10.633 1.00 21.24 H new ATOM 0 HB3 GLU A 57 -8.769 16.437 9.855 1.00 21.24 H new ATOM 0 HG2 GLU A 57 -9.977 18.502 10.172 1.00 4.52 H new ATOM 0 HG3 GLU A 57 -11.418 17.652 10.691 1.00 4.52 H new ATOM 895 N ARG A 58 -8.849 17.279 7.291 1.00 20.02 N ATOM 896 CA ARG A 58 -8.343 18.292 6.372 1.00 12.42 C ATOM 897 C ARG A 58 -8.744 17.971 4.936 1.00 2.51 C ATOM 898 O ARG A 58 -8.905 18.872 4.110 1.00 70.54 O ATOM 899 CB ARG A 58 -6.819 18.392 6.479 1.00 61.43 C ATOM 900 CG ARG A 58 -6.309 18.411 7.910 1.00 4.14 C ATOM 901 CD ARG A 58 -5.746 17.059 8.318 1.00 31.14 C ATOM 902 NE ARG A 58 -4.788 17.173 9.414 1.00 13.44 N ATOM 903 CZ ARG A 58 -3.884 16.242 9.700 1.00 35.33 C ATOM 904 NH1 ARG A 58 -3.816 15.133 8.976 1.00 53.22 N ATOM 905 NH2 ARG A 58 -3.046 16.419 10.715 1.00 64.23 N ATOM 0 H ARG A 58 -8.149 16.606 7.603 1.00 20.02 H new ATOM 0 HA ARG A 58 -8.783 19.250 6.648 1.00 12.42 H new ATOM 0 HB2 ARG A 58 -6.370 17.549 5.954 1.00 61.43 H new ATOM 0 HB3 ARG A 58 -6.486 19.298 5.972 1.00 61.43 H new ATOM 0 HG2 ARG A 58 -5.537 19.174 8.012 1.00 4.14 H new ATOM 0 HG3 ARG A 58 -7.121 18.687 8.583 1.00 4.14 H new ATOM 0 HD2 ARG A 58 -6.562 16.402 8.617 1.00 31.14 H new ATOM 0 HD3 ARG A 58 -5.261 16.594 7.460 1.00 31.14 H new ATOM 0 HE ARG A 58 -4.814 18.013 9.992 1.00 13.44 H new ATOM 0 HH11 ARG A 58 -4.459 14.993 8.197 1.00 53.22 H new ATOM 0 HH12 ARG A 58 -3.121 14.421 9.198 1.00 53.22 H new ATOM 0 HH21 ARG A 58 -3.096 17.270 11.275 1.00 64.23 H new ATOM 0 HH22 ARG A 58 -2.352 15.704 10.934 1.00 64.23 H new ATOM 919 N LEU A 59 -8.903 16.686 4.643 1.00 34.04 N ATOM 920 CA LEU A 59 -9.284 16.246 3.306 1.00 74.44 C ATOM 921 C LEU A 59 -10.705 16.690 2.972 1.00 1.12 C ATOM 922 O LEU A 59 -10.926 17.423 2.008 1.00 53.25 O ATOM 923 CB LEU A 59 -9.174 14.724 3.198 1.00 73.23 C ATOM 924 CG LEU A 59 -7.783 14.172 2.885 1.00 75.44 C ATOM 925 CD1 LEU A 59 -7.778 12.654 2.981 1.00 44.42 C ATOM 926 CD2 LEU A 59 -7.328 14.622 1.505 1.00 53.14 C ATOM 0 H LEU A 59 -8.774 15.929 5.314 1.00 34.04 H new ATOM 0 HA LEU A 59 -8.602 16.705 2.590 1.00 74.44 H new ATOM 0 HB2 LEU A 59 -9.513 14.288 4.138 1.00 73.23 H new ATOM 0 HB3 LEU A 59 -9.861 14.384 2.423 1.00 73.23 H new ATOM 0 HG LEU A 59 -7.083 14.565 3.622 1.00 75.44 H new ATOM 0 HD11 LEU A 59 -6.780 12.278 2.755 1.00 44.42 H new ATOM 0 HD12 LEU A 59 -8.059 12.352 3.990 1.00 44.42 H new ATOM 0 HD13 LEU A 59 -8.491 12.242 2.267 1.00 44.42 H new ATOM 0 HD21 LEU A 59 -6.336 14.220 1.300 1.00 53.14 H new ATOM 0 HD22 LEU A 59 -8.030 14.259 0.754 1.00 53.14 H new ATOM 0 HD23 LEU A 59 -7.292 15.711 1.471 1.00 53.14 H new ATOM 938 N LYS A 60 -11.664 16.244 3.776 1.00 23.44 N ATOM 939 CA LYS A 60 -13.063 16.597 3.568 1.00 22.34 C ATOM 940 C LYS A 60 -13.644 17.268 4.809 1.00 64.54 C ATOM 941 O LYS A 60 -13.603 18.491 4.942 1.00 2.33 O ATOM 942 CB LYS A 60 -13.879 15.350 3.221 1.00 45.34 C ATOM 943 CG LYS A 60 -13.246 14.056 3.700 1.00 63.51 C ATOM 944 CD LYS A 60 -12.288 13.487 2.667 1.00 25.12 C ATOM 945 CE LYS A 60 -12.876 12.268 1.972 1.00 3.11 C ATOM 946 NZ LYS A 60 -14.184 12.573 1.329 1.00 75.02 N ATOM 0 H LYS A 60 -11.498 15.637 4.578 1.00 23.44 H new ATOM 0 HA LYS A 60 -13.115 17.300 2.737 1.00 22.34 H new ATOM 0 HB2 LYS A 60 -14.873 15.443 3.660 1.00 45.34 H new ATOM 0 HB3 LYS A 60 -14.011 15.302 2.140 1.00 45.34 H new ATOM 0 HG2 LYS A 60 -12.712 14.235 4.633 1.00 63.51 H new ATOM 0 HG3 LYS A 60 -14.026 13.326 3.915 1.00 63.51 H new ATOM 0 HD2 LYS A 60 -12.054 14.252 1.926 1.00 25.12 H new ATOM 0 HD3 LYS A 60 -11.350 13.214 3.151 1.00 25.12 H new ATOM 0 HE2 LYS A 60 -12.176 11.907 1.218 1.00 3.11 H new ATOM 0 HE3 LYS A 60 -13.006 11.464 2.697 1.00 3.11 H new ATOM 0 HZ1 LYS A 60 -14.342 11.919 0.536 1.00 75.02 H new ATOM 0 HZ2 LYS A 60 -14.948 12.462 2.026 1.00 75.02 H new ATOM 0 HZ3 LYS A 60 -14.177 13.551 0.976 1.00 75.02 H new ATOM 960 N LYS A 61 -14.185 16.460 5.715 1.00 3.21 N ATOM 961 CA LYS A 61 -14.771 16.975 6.946 1.00 35.12 C ATOM 962 C LYS A 61 -15.443 15.857 7.737 1.00 1.03 C ATOM 963 O LYS A 61 -16.464 16.073 8.392 1.00 72.13 O ATOM 964 CB LYS A 61 -15.789 18.073 6.630 1.00 73.21 C ATOM 965 CG LYS A 61 -15.509 19.386 7.340 1.00 12.34 C ATOM 966 CD LYS A 61 -16.593 19.715 8.352 1.00 10.40 C ATOM 967 CE LYS A 61 -16.210 20.914 9.208 1.00 34.52 C ATOM 968 NZ LYS A 61 -17.401 21.717 9.601 1.00 51.33 N ATOM 0 H LYS A 61 -14.229 15.445 5.619 1.00 3.21 H new ATOM 0 HA LYS A 61 -13.969 17.395 7.553 1.00 35.12 H new ATOM 0 HB2 LYS A 61 -15.801 18.247 5.554 1.00 73.21 H new ATOM 0 HB3 LYS A 61 -16.784 17.725 6.907 1.00 73.21 H new ATOM 0 HG2 LYS A 61 -14.544 19.329 7.844 1.00 12.34 H new ATOM 0 HG3 LYS A 61 -15.439 20.189 6.607 1.00 12.34 H new ATOM 0 HD2 LYS A 61 -17.528 19.922 7.831 1.00 10.40 H new ATOM 0 HD3 LYS A 61 -16.769 18.851 8.992 1.00 10.40 H new ATOM 0 HE2 LYS A 61 -15.692 20.571 10.103 1.00 34.52 H new ATOM 0 HE3 LYS A 61 -15.512 21.545 8.658 1.00 34.52 H new ATOM 0 HZ1 LYS A 61 -17.099 22.524 10.183 1.00 51.33 H new ATOM 0 HZ2 LYS A 61 -17.881 22.066 8.747 1.00 51.33 H new ATOM 0 HZ3 LYS A 61 -18.056 21.122 10.148 1.00 51.33 H new ATOM 982 N LEU A 62 -14.863 14.664 7.674 1.00 11.01 N ATOM 983 CA LEU A 62 -15.406 13.512 8.387 1.00 22.44 C ATOM 984 C LEU A 62 -16.894 13.344 8.098 1.00 14.32 C ATOM 985 O LEU A 62 -17.348 12.216 7.916 1.00 64.51 O ATOM 986 CB LEU A 62 -15.180 13.665 9.891 1.00 5.44 C ATOM 987 CG LEU A 62 -13.970 12.927 10.467 1.00 0.44 C ATOM 988 CD1 LEU A 62 -12.789 13.875 10.618 1.00 64.21 C ATOM 989 CD2 LEU A 62 -14.320 12.292 11.805 1.00 34.12 C ATOM 0 H LEU A 62 -14.018 14.468 7.137 1.00 11.01 H new ATOM 0 HA LEU A 62 -14.885 12.621 8.037 1.00 22.44 H new ATOM 0 HB2 LEU A 62 -15.074 14.726 10.116 1.00 5.44 H new ATOM 0 HB3 LEU A 62 -16.073 13.317 10.410 1.00 5.44 H new ATOM 0 HG LEU A 62 -13.688 12.135 9.774 1.00 0.44 H new ATOM 0 HD11 LEU A 62 -11.937 13.333 11.029 1.00 64.21 H new ATOM 0 HD12 LEU A 62 -12.523 14.283 9.643 1.00 64.21 H new ATOM 0 HD13 LEU A 62 -13.060 14.689 11.290 1.00 64.21 H new ATOM 0 HD21 LEU A 62 -13.448 11.771 12.200 1.00 34.12 H new ATOM 0 HD22 LEU A 62 -14.628 13.067 12.506 1.00 34.12 H new ATOM 0 HD23 LEU A 62 -15.135 11.582 11.668 1.00 34.12 H new ATOM 1002 N MET B 1 14.779 -23.184 -7.301 1.00 61.14 N ATOM 1003 CA MET B 1 14.573 -22.856 -8.707 1.00 61.42 C ATOM 1004 C MET B 1 13.165 -22.314 -8.939 1.00 20.35 C ATOM 1005 O MET B 1 12.176 -23.010 -8.708 1.00 72.34 O ATOM 1006 CB MET B 1 14.807 -24.091 -9.580 1.00 72.24 C ATOM 1007 CG MET B 1 16.210 -24.168 -10.159 1.00 13.54 C ATOM 1008 SD MET B 1 17.258 -25.346 -9.284 1.00 4.41 S ATOM 1009 CE MET B 1 18.880 -24.655 -9.600 1.00 1.24 C ATOM 0 H1 MET B 1 15.743 -23.550 -7.168 1.00 61.14 H new ATOM 0 H2 MET B 1 14.650 -22.329 -6.723 1.00 61.14 H new ATOM 0 H3 MET B 1 14.090 -23.907 -7.009 1.00 61.14 H new ATOM 0 HA MET B 1 15.290 -22.083 -8.983 1.00 61.42 H new ATOM 0 HB2 MET B 1 14.618 -24.986 -8.987 1.00 72.24 H new ATOM 0 HB3 MET B 1 14.085 -24.091 -10.397 1.00 72.24 H new ATOM 0 HG2 MET B 1 16.150 -24.451 -11.210 1.00 13.54 H new ATOM 0 HG3 MET B 1 16.670 -23.180 -10.121 1.00 13.54 H new ATOM 0 HE1 MET B 1 19.639 -25.274 -9.122 1.00 1.24 H new ATOM 0 HE2 MET B 1 19.060 -24.626 -10.675 1.00 1.24 H new ATOM 0 HE3 MET B 1 18.930 -23.644 -9.196 1.00 1.24 H new ATOM 1019 N LYS B 2 13.083 -21.070 -9.396 1.00 61.53 N ATOM 1020 CA LYS B 2 11.797 -20.436 -9.661 1.00 14.51 C ATOM 1021 C LYS B 2 11.308 -20.761 -11.068 1.00 24.11 C ATOM 1022 O LYS B 2 12.077 -21.222 -11.914 1.00 15.24 O ATOM 1023 CB LYS B 2 11.909 -18.919 -9.487 1.00 74.04 C ATOM 1024 CG LYS B 2 12.763 -18.247 -10.548 1.00 55.23 C ATOM 1025 CD LYS B 2 14.010 -17.621 -9.946 1.00 35.24 C ATOM 1026 CE LYS B 2 14.877 -16.970 -11.011 1.00 20.01 C ATOM 1027 NZ LYS B 2 16.269 -17.500 -10.993 1.00 5.41 N ATOM 0 H LYS B 2 13.892 -20.480 -9.591 1.00 61.53 H new ATOM 0 HA LYS B 2 11.074 -20.827 -8.945 1.00 14.51 H new ATOM 0 HB2 LYS B 2 10.910 -18.484 -9.508 1.00 74.04 H new ATOM 0 HB3 LYS B 2 12.329 -18.704 -8.504 1.00 74.04 H new ATOM 0 HG2 LYS B 2 13.050 -18.979 -11.303 1.00 55.23 H new ATOM 0 HG3 LYS B 2 12.178 -17.480 -11.055 1.00 55.23 H new ATOM 0 HD2 LYS B 2 13.722 -16.876 -9.204 1.00 35.24 H new ATOM 0 HD3 LYS B 2 14.586 -18.385 -9.424 1.00 35.24 H new ATOM 0 HE2 LYS B 2 14.436 -17.141 -11.993 1.00 20.01 H new ATOM 0 HE3 LYS B 2 14.897 -15.892 -10.854 1.00 20.01 H new ATOM 0 HZ1 LYS B 2 16.829 -17.031 -11.734 1.00 5.41 H new ATOM 0 HZ2 LYS B 2 16.699 -17.314 -10.064 1.00 5.41 H new ATOM 0 HZ3 LYS B 2 16.252 -18.525 -11.168 1.00 5.41 H new ATOM 1041 N LYS B 3 10.025 -20.519 -11.315 1.00 22.31 N ATOM 1042 CA LYS B 3 9.434 -20.784 -12.621 1.00 60.52 C ATOM 1043 C LYS B 3 8.476 -19.666 -13.022 1.00 71.21 C ATOM 1044 O LYS B 3 8.791 -18.842 -13.882 1.00 34.43 O ATOM 1045 CB LYS B 3 8.694 -22.123 -12.607 1.00 60.41 C ATOM 1046 CG LYS B 3 7.876 -22.380 -13.860 1.00 70.44 C ATOM 1047 CD LYS B 3 7.957 -23.835 -14.292 1.00 60.15 C ATOM 1048 CE LYS B 3 7.017 -24.125 -15.453 1.00 15.02 C ATOM 1049 NZ LYS B 3 7.598 -25.115 -16.401 1.00 52.42 N ATOM 0 H LYS B 3 9.374 -20.140 -10.627 1.00 22.31 H new ATOM 0 HA LYS B 3 10.240 -20.829 -13.354 1.00 60.52 H new ATOM 0 HB2 LYS B 3 9.419 -22.928 -12.485 1.00 60.41 H new ATOM 0 HB3 LYS B 3 8.034 -22.155 -11.740 1.00 60.41 H new ATOM 0 HG2 LYS B 3 6.836 -22.111 -13.677 1.00 70.44 H new ATOM 0 HG3 LYS B 3 8.234 -21.740 -14.666 1.00 70.44 H new ATOM 0 HD2 LYS B 3 8.980 -24.073 -14.583 1.00 60.15 H new ATOM 0 HD3 LYS B 3 7.707 -24.480 -13.450 1.00 60.15 H new ATOM 0 HE2 LYS B 3 6.070 -24.503 -15.068 1.00 15.02 H new ATOM 0 HE3 LYS B 3 6.798 -23.198 -15.984 1.00 15.02 H new ATOM 0 HZ1 LYS B 3 6.928 -25.286 -17.178 1.00 52.42 H new ATOM 0 HZ2 LYS B 3 8.489 -24.744 -16.788 1.00 52.42 H new ATOM 0 HZ3 LYS B 3 7.783 -26.008 -15.901 1.00 52.42 H new ATOM 1063 N LEU B 4 7.306 -19.643 -12.392 1.00 65.10 N ATOM 1064 CA LEU B 4 6.302 -18.625 -12.682 1.00 5.02 C ATOM 1065 C LEU B 4 5.881 -17.898 -11.409 1.00 75.41 C ATOM 1066 O LEU B 4 5.061 -16.980 -11.448 1.00 23.42 O ATOM 1067 CB LEU B 4 5.081 -19.259 -13.349 1.00 34.43 C ATOM 1068 CG LEU B 4 4.071 -19.920 -12.410 1.00 14.40 C ATOM 1069 CD1 LEU B 4 2.824 -20.337 -13.174 1.00 52.43 C ATOM 1070 CD2 LEU B 4 4.696 -21.119 -11.712 1.00 15.44 C ATOM 0 H LEU B 4 7.030 -20.317 -11.678 1.00 65.10 H new ATOM 0 HA LEU B 4 6.744 -17.899 -13.364 1.00 5.02 H new ATOM 0 HB2 LEU B 4 4.564 -18.489 -13.922 1.00 34.43 H new ATOM 0 HB3 LEU B 4 5.429 -20.007 -14.061 1.00 34.43 H new ATOM 0 HG LEU B 4 3.781 -19.193 -11.651 1.00 14.40 H new ATOM 0 HD11 LEU B 4 2.117 -20.805 -12.489 1.00 52.43 H new ATOM 0 HD12 LEU B 4 2.363 -19.459 -13.626 1.00 52.43 H new ATOM 0 HD13 LEU B 4 3.096 -21.046 -13.955 1.00 52.43 H new ATOM 0 HD21 LEU B 4 3.963 -21.577 -11.048 1.00 15.44 H new ATOM 0 HD22 LEU B 4 5.016 -21.848 -12.457 1.00 15.44 H new ATOM 0 HD23 LEU B 4 5.558 -20.793 -11.130 1.00 15.44 H new ATOM 1082 N ARG B 5 6.447 -18.314 -10.281 1.00 23.21 N ATOM 1083 CA ARG B 5 6.131 -17.703 -8.996 1.00 44.21 C ATOM 1084 C ARG B 5 6.588 -16.248 -8.959 1.00 44.51 C ATOM 1085 O ARG B 5 5.997 -15.419 -8.267 1.00 43.32 O ATOM 1086 CB ARG B 5 6.791 -18.485 -7.859 1.00 51.44 C ATOM 1087 CG ARG B 5 5.892 -19.548 -7.249 1.00 15.31 C ATOM 1088 CD ARG B 5 4.696 -18.929 -6.542 1.00 5.32 C ATOM 1089 NE ARG B 5 3.933 -19.919 -5.787 1.00 5.40 N ATOM 1090 CZ ARG B 5 2.782 -19.652 -5.179 1.00 4.32 C ATOM 1091 NH1 ARG B 5 2.265 -18.433 -5.236 1.00 25.11 N ATOM 1092 NH2 ARG B 5 2.148 -20.607 -4.512 1.00 15.00 N ATOM 0 H ARG B 5 7.127 -19.072 -10.231 1.00 23.21 H new ATOM 0 HA ARG B 5 5.049 -17.730 -8.866 1.00 44.21 H new ATOM 0 HB2 ARG B 5 7.698 -18.960 -8.234 1.00 51.44 H new ATOM 0 HB3 ARG B 5 7.096 -17.788 -7.079 1.00 51.44 H new ATOM 0 HG2 ARG B 5 5.544 -20.224 -8.030 1.00 15.31 H new ATOM 0 HG3 ARG B 5 6.464 -20.147 -6.541 1.00 15.31 H new ATOM 0 HD2 ARG B 5 5.040 -18.145 -5.867 1.00 5.32 H new ATOM 0 HD3 ARG B 5 4.046 -18.454 -7.277 1.00 5.32 H new ATOM 0 HE ARG B 5 4.304 -20.867 -5.723 1.00 5.40 H new ATOM 0 HH11 ARG B 5 2.751 -17.696 -5.748 1.00 25.11 H new ATOM 0 HH12 ARG B 5 1.381 -18.231 -4.768 1.00 25.11 H new ATOM 0 HH21 ARG B 5 2.544 -21.546 -4.466 1.00 15.00 H new ATOM 0 HH22 ARG B 5 1.264 -20.403 -4.045 1.00 15.00 H new ATOM 1106 N GLU B 6 7.644 -15.945 -9.708 1.00 24.01 N ATOM 1107 CA GLU B 6 8.181 -14.590 -9.759 1.00 25.32 C ATOM 1108 C GLU B 6 7.112 -13.598 -10.208 1.00 21.34 C ATOM 1109 O GLU B 6 7.153 -12.423 -9.848 1.00 44.14 O ATOM 1110 CB GLU B 6 9.380 -14.528 -10.708 1.00 33.24 C ATOM 1111 CG GLU B 6 10.698 -14.245 -10.005 1.00 24.41 C ATOM 1112 CD GLU B 6 11.780 -13.778 -10.960 1.00 74.45 C ATOM 1113 OE1 GLU B 6 11.432 -13.216 -12.021 1.00 55.51 O ATOM 1114 OE2 GLU B 6 12.973 -13.974 -10.649 1.00 73.33 O ATOM 0 H GLU B 6 8.144 -16.619 -10.287 1.00 24.01 H new ATOM 0 HA GLU B 6 8.507 -14.318 -8.755 1.00 25.32 H new ATOM 0 HB2 GLU B 6 9.459 -15.475 -11.243 1.00 33.24 H new ATOM 0 HB3 GLU B 6 9.202 -13.754 -11.455 1.00 33.24 H new ATOM 0 HG2 GLU B 6 10.541 -13.485 -9.240 1.00 24.41 H new ATOM 0 HG3 GLU B 6 11.034 -15.147 -9.494 1.00 24.41 H new ATOM 1122 N GLU B 7 6.158 -14.083 -10.997 1.00 53.34 N ATOM 1123 CA GLU B 7 5.079 -13.237 -11.496 1.00 61.40 C ATOM 1124 C GLU B 7 4.356 -12.542 -10.347 1.00 73.01 C ATOM 1125 O GLU B 7 3.921 -11.398 -10.475 1.00 51.13 O ATOM 1126 CB GLU B 7 4.085 -14.069 -12.310 1.00 61.01 C ATOM 1127 CG GLU B 7 4.716 -14.790 -13.489 1.00 43.04 C ATOM 1128 CD GLU B 7 4.417 -14.115 -14.814 1.00 2.15 C ATOM 1129 OE1 GLU B 7 4.763 -12.924 -14.962 1.00 70.24 O ATOM 1130 OE2 GLU B 7 3.839 -14.776 -15.701 1.00 32.44 O ATOM 0 H GLU B 7 6.110 -15.055 -11.304 1.00 53.34 H new ATOM 0 HA GLU B 7 5.518 -12.474 -12.140 1.00 61.40 H new ATOM 0 HB2 GLU B 7 3.616 -14.803 -11.655 1.00 61.01 H new ATOM 0 HB3 GLU B 7 3.292 -13.417 -12.676 1.00 61.01 H new ATOM 0 HG2 GLU B 7 5.795 -14.838 -13.345 1.00 43.04 H new ATOM 0 HG3 GLU B 7 4.353 -15.817 -13.519 1.00 43.04 H new ATOM 1138 N ALA B 8 4.232 -13.243 -9.224 1.00 51.14 N ATOM 1139 CA ALA B 8 3.563 -12.693 -8.051 1.00 42.15 C ATOM 1140 C ALA B 8 4.416 -11.618 -7.387 1.00 54.30 C ATOM 1141 O ALA B 8 3.895 -10.715 -6.733 1.00 52.11 O ATOM 1142 CB ALA B 8 3.241 -13.801 -7.059 1.00 64.02 C ATOM 0 H ALA B 8 4.586 -14.192 -9.102 1.00 51.14 H new ATOM 0 HA ALA B 8 2.631 -12.231 -8.378 1.00 42.15 H new ATOM 0 HB1 ALA B 8 2.742 -13.376 -6.188 1.00 64.02 H new ATOM 0 HB2 ALA B 8 2.586 -14.533 -7.531 1.00 64.02 H new ATOM 0 HB3 ALA B 8 4.164 -14.289 -6.746 1.00 64.02 H new ATOM 1148 N ALA B 9 5.730 -11.722 -7.557 1.00 5.22 N ATOM 1149 CA ALA B 9 6.655 -10.757 -6.975 1.00 74.30 C ATOM 1150 C ALA B 9 6.389 -9.352 -7.505 1.00 54.44 C ATOM 1151 O ALA B 9 6.442 -8.375 -6.758 1.00 11.24 O ATOM 1152 CB ALA B 9 8.093 -11.166 -7.260 1.00 35.22 C ATOM 0 H ALA B 9 6.178 -12.465 -8.093 1.00 5.22 H new ATOM 0 HA ALA B 9 6.498 -10.746 -5.896 1.00 74.30 H new ATOM 0 HB1 ALA B 9 8.773 -10.437 -6.820 1.00 35.22 H new ATOM 0 HB2 ALA B 9 8.285 -12.148 -6.827 1.00 35.22 H new ATOM 0 HB3 ALA B 9 8.253 -11.207 -8.337 1.00 35.22 H new ATOM 1158 N LYS B 10 6.101 -9.256 -8.799 1.00 32.45 N ATOM 1159 CA LYS B 10 5.825 -7.972 -9.429 1.00 53.02 C ATOM 1160 C LYS B 10 4.643 -7.280 -8.759 1.00 71.35 C ATOM 1161 O LYS B 10 4.573 -6.051 -8.712 1.00 2.33 O ATOM 1162 CB LYS B 10 5.540 -8.163 -10.920 1.00 64.03 C ATOM 1163 CG LYS B 10 6.567 -9.026 -11.630 1.00 24.54 C ATOM 1164 CD LYS B 10 6.679 -8.666 -13.102 1.00 10.41 C ATOM 1165 CE LYS B 10 5.908 -9.643 -13.976 1.00 54.40 C ATOM 1166 NZ LYS B 10 6.515 -9.773 -15.329 1.00 62.31 N ATOM 0 H LYS B 10 6.053 -10.054 -9.432 1.00 32.45 H new ATOM 0 HA LYS B 10 6.706 -7.341 -9.312 1.00 53.02 H new ATOM 0 HB2 LYS B 10 4.555 -8.614 -11.038 1.00 64.03 H new ATOM 0 HB3 LYS B 10 5.503 -7.186 -11.402 1.00 64.03 H new ATOM 0 HG2 LYS B 10 7.538 -8.905 -11.150 1.00 24.54 H new ATOM 0 HG3 LYS B 10 6.291 -10.076 -11.532 1.00 24.54 H new ATOM 0 HD2 LYS B 10 6.299 -7.657 -13.261 1.00 10.41 H new ATOM 0 HD3 LYS B 10 7.728 -8.662 -13.398 1.00 10.41 H new ATOM 0 HE2 LYS B 10 5.883 -10.620 -13.494 1.00 54.40 H new ATOM 0 HE3 LYS B 10 4.875 -9.308 -14.072 1.00 54.40 H new ATOM 0 HZ1 LYS B 10 5.961 -10.447 -15.895 1.00 62.31 H new ATOM 0 HZ2 LYS B 10 6.516 -8.846 -15.800 1.00 62.31 H new ATOM 0 HZ3 LYS B 10 7.492 -10.117 -15.239 1.00 62.31 H new ATOM 1180 N LEU B 11 3.714 -8.075 -8.240 1.00 63.25 N ATOM 1181 CA LEU B 11 2.533 -7.539 -7.571 1.00 4.41 C ATOM 1182 C LEU B 11 2.927 -6.530 -6.498 1.00 23.20 C ATOM 1183 O LEU B 11 2.329 -5.460 -6.387 1.00 31.10 O ATOM 1184 CB LEU B 11 1.717 -8.673 -6.947 1.00 2.31 C ATOM 1185 CG LEU B 11 1.330 -9.816 -7.885 1.00 33.20 C ATOM 1186 CD1 LEU B 11 0.541 -10.878 -7.135 1.00 14.42 C ATOM 1187 CD2 LEU B 11 0.527 -9.288 -9.066 1.00 55.32 C ATOM 0 H LEU B 11 3.755 -9.094 -8.269 1.00 63.25 H new ATOM 0 HA LEU B 11 1.923 -7.029 -8.317 1.00 4.41 H new ATOM 0 HB2 LEU B 11 2.287 -9.089 -6.116 1.00 2.31 H new ATOM 0 HB3 LEU B 11 0.805 -8.249 -6.528 1.00 2.31 H new ATOM 0 HG LEU B 11 2.243 -10.272 -8.267 1.00 33.20 H new ATOM 0 HD11 LEU B 11 0.274 -11.684 -7.819 1.00 14.42 H new ATOM 0 HD12 LEU B 11 1.149 -11.277 -6.323 1.00 14.42 H new ATOM 0 HD13 LEU B 11 -0.366 -10.435 -6.725 1.00 14.42 H new ATOM 0 HD21 LEU B 11 0.260 -10.115 -9.723 1.00 55.32 H new ATOM 0 HD22 LEU B 11 -0.381 -8.806 -8.703 1.00 55.32 H new ATOM 0 HD23 LEU B 11 1.126 -8.564 -9.619 1.00 55.32 H new ATOM 1199 N PHE B 12 3.940 -6.877 -5.710 1.00 3.22 N ATOM 1200 CA PHE B 12 4.416 -6.001 -4.646 1.00 1.50 C ATOM 1201 C PHE B 12 5.200 -4.824 -5.220 1.00 22.11 C ATOM 1202 O PHE B 12 5.282 -3.761 -4.606 1.00 51.45 O ATOM 1203 CB PHE B 12 5.293 -6.783 -3.666 1.00 53.23 C ATOM 1204 CG PHE B 12 4.538 -7.818 -2.882 1.00 72.01 C ATOM 1205 CD1 PHE B 12 3.328 -7.506 -2.282 1.00 21.33 C ATOM 1206 CD2 PHE B 12 5.037 -9.103 -2.745 1.00 22.44 C ATOM 1207 CE1 PHE B 12 2.632 -8.457 -1.560 1.00 30.54 C ATOM 1208 CE2 PHE B 12 4.346 -10.058 -2.024 1.00 21.50 C ATOM 1209 CZ PHE B 12 3.141 -9.735 -1.431 1.00 44.03 C ATOM 0 H PHE B 12 4.447 -7.759 -5.789 1.00 3.22 H new ATOM 0 HA PHE B 12 3.548 -5.612 -4.115 1.00 1.50 H new ATOM 0 HB2 PHE B 12 6.096 -7.271 -4.219 1.00 53.23 H new ATOM 0 HB3 PHE B 12 5.762 -6.084 -2.973 1.00 53.23 H new ATOM 0 HD1 PHE B 12 2.925 -6.509 -2.380 1.00 21.33 H new ATOM 0 HD2 PHE B 12 5.978 -9.362 -3.208 1.00 22.44 H new ATOM 0 HE1 PHE B 12 1.691 -8.201 -1.097 1.00 30.54 H new ATOM 0 HE2 PHE B 12 4.748 -11.056 -1.924 1.00 21.50 H new ATOM 0 HZ PHE B 12 2.598 -10.480 -0.868 1.00 44.03 H new ATOM 1219 N GLU B 13 5.776 -5.025 -6.401 1.00 4.23 N ATOM 1220 CA GLU B 13 6.557 -3.981 -7.057 1.00 60.45 C ATOM 1221 C GLU B 13 5.708 -2.734 -7.289 1.00 24.30 C ATOM 1222 O GLU B 13 6.190 -1.610 -7.151 1.00 51.05 O ATOM 1223 CB GLU B 13 7.111 -4.490 -8.390 1.00 51.21 C ATOM 1224 CG GLU B 13 8.584 -4.176 -8.594 1.00 62.24 C ATOM 1225 CD GLU B 13 9.261 -5.149 -9.539 1.00 3.04 C ATOM 1226 OE1 GLU B 13 10.436 -5.492 -9.294 1.00 0.13 O ATOM 1227 OE2 GLU B 13 8.617 -5.567 -10.524 1.00 73.33 O ATOM 0 H GLU B 13 5.717 -5.899 -6.923 1.00 4.23 H new ATOM 0 HA GLU B 13 7.389 -3.718 -6.403 1.00 60.45 H new ATOM 0 HB2 GLU B 13 6.967 -5.569 -8.446 1.00 51.21 H new ATOM 0 HB3 GLU B 13 6.537 -4.049 -9.205 1.00 51.21 H new ATOM 0 HG2 GLU B 13 8.685 -3.164 -8.986 1.00 62.24 H new ATOM 0 HG3 GLU B 13 9.093 -4.197 -7.630 1.00 62.24 H new ATOM 1235 N GLU B 14 4.444 -2.942 -7.643 1.00 4.23 N ATOM 1236 CA GLU B 14 3.530 -1.835 -7.896 1.00 41.21 C ATOM 1237 C GLU B 14 3.105 -1.171 -6.589 1.00 64.12 C ATOM 1238 O GLU B 14 2.908 0.043 -6.533 1.00 63.21 O ATOM 1239 CB GLU B 14 2.296 -2.326 -8.656 1.00 65.34 C ATOM 1240 CG GLU B 14 2.627 -3.229 -9.832 1.00 74.53 C ATOM 1241 CD GLU B 14 1.448 -3.424 -10.768 1.00 10.51 C ATOM 1242 OE1 GLU B 14 1.598 -3.146 -11.976 1.00 3.53 O ATOM 1243 OE2 GLU B 14 0.376 -3.852 -10.292 1.00 14.21 O ATOM 0 H GLU B 14 4.030 -3.867 -7.761 1.00 4.23 H new ATOM 0 HA GLU B 14 4.053 -1.098 -8.505 1.00 41.21 H new ATOM 0 HB2 GLU B 14 1.645 -2.864 -7.967 1.00 65.34 H new ATOM 0 HB3 GLU B 14 1.735 -1.464 -9.017 1.00 65.34 H new ATOM 0 HG2 GLU B 14 3.462 -2.803 -10.389 1.00 74.53 H new ATOM 0 HG3 GLU B 14 2.955 -4.199 -9.459 1.00 74.53 H new ATOM 1251 N TRP B 15 2.965 -1.976 -5.543 1.00 15.12 N ATOM 1252 CA TRP B 15 2.562 -1.467 -4.237 1.00 34.14 C ATOM 1253 C TRP B 15 3.494 -0.353 -3.775 1.00 4.34 C ATOM 1254 O TRP B 15 3.048 0.740 -3.425 1.00 62.43 O ATOM 1255 CB TRP B 15 2.551 -2.599 -3.207 1.00 13.30 C ATOM 1256 CG TRP B 15 1.321 -3.453 -3.276 1.00 54.44 C ATOM 1257 CD1 TRP B 15 0.570 -3.719 -4.385 1.00 54.42 C ATOM 1258 CD2 TRP B 15 0.700 -4.149 -2.191 1.00 75.05 C ATOM 1259 NE1 TRP B 15 -0.482 -4.540 -4.054 1.00 4.41 N ATOM 1260 CE2 TRP B 15 -0.424 -4.818 -2.714 1.00 61.54 C ATOM 1261 CE3 TRP B 15 0.983 -4.275 -0.828 1.00 41.54 C ATOM 1262 CZ2 TRP B 15 -1.262 -5.599 -1.922 1.00 12.45 C ATOM 1263 CZ3 TRP B 15 0.151 -5.049 -0.042 1.00 44.10 C ATOM 1264 CH2 TRP B 15 -0.960 -5.703 -0.591 1.00 32.34 C ATOM 0 H TRP B 15 3.124 -2.983 -5.573 1.00 15.12 H new ATOM 0 HA TRP B 15 1.556 -1.058 -4.329 1.00 34.14 H new ATOM 0 HB2 TRP B 15 3.429 -3.227 -3.358 1.00 13.30 H new ATOM 0 HB3 TRP B 15 2.633 -2.172 -2.207 1.00 13.30 H new ATOM 0 HD1 TRP B 15 0.773 -3.340 -5.376 1.00 54.42 H new ATOM 0 HE1 TRP B 15 -1.191 -4.886 -4.701 1.00 4.41 H new ATOM 0 HE3 TRP B 15 1.838 -3.776 -0.396 1.00 41.54 H new ATOM 0 HZ2 TRP B 15 -2.119 -6.104 -2.343 1.00 12.45 H new ATOM 0 HZ3 TRP B 15 0.360 -5.152 1.013 1.00 44.10 H new ATOM 0 HH2 TRP B 15 -1.591 -6.302 0.049 1.00 32.34 H new ATOM 1275 N LYS B 16 4.792 -0.636 -3.776 1.00 5.23 N ATOM 1276 CA LYS B 16 5.790 0.343 -3.359 1.00 3.13 C ATOM 1277 C LYS B 16 5.920 1.460 -4.390 1.00 72.11 C ATOM 1278 O LYS B 16 6.307 2.582 -4.060 1.00 34.11 O ATOM 1279 CB LYS B 16 7.146 -0.335 -3.153 1.00 20.04 C ATOM 1280 CG LYS B 16 8.268 0.634 -2.822 1.00 71.03 C ATOM 1281 CD LYS B 16 9.227 0.796 -3.990 1.00 31.24 C ATOM 1282 CE LYS B 16 10.400 -0.167 -3.884 1.00 73.11 C ATOM 1283 NZ LYS B 16 11.595 0.480 -3.277 1.00 21.13 N ATOM 0 H LYS B 16 5.178 -1.536 -4.061 1.00 5.23 H new ATOM 0 HA LYS B 16 5.462 0.779 -2.415 1.00 3.13 H new ATOM 0 HB2 LYS B 16 7.059 -1.065 -2.348 1.00 20.04 H new ATOM 0 HB3 LYS B 16 7.408 -0.886 -4.056 1.00 20.04 H new ATOM 0 HG2 LYS B 16 7.846 1.604 -2.559 1.00 71.03 H new ATOM 0 HG3 LYS B 16 8.814 0.276 -1.949 1.00 71.03 H new ATOM 0 HD2 LYS B 16 8.695 0.622 -4.926 1.00 31.24 H new ATOM 0 HD3 LYS B 16 9.597 1.821 -4.019 1.00 31.24 H new ATOM 0 HE2 LYS B 16 10.109 -1.029 -3.283 1.00 73.11 H new ATOM 0 HE3 LYS B 16 10.654 -0.541 -4.876 1.00 73.11 H new ATOM 0 HZ1 LYS B 16 12.372 -0.209 -3.222 1.00 21.13 H new ATOM 0 HZ2 LYS B 16 11.888 1.287 -3.864 1.00 21.13 H new ATOM 0 HZ3 LYS B 16 11.361 0.814 -2.320 1.00 21.13 H new ATOM 1297 N LYS B 17 5.594 1.147 -5.639 1.00 51.12 N ATOM 1298 CA LYS B 17 5.671 2.124 -6.718 1.00 2.41 C ATOM 1299 C LYS B 17 4.606 3.204 -6.553 1.00 22.33 C ATOM 1300 O LYS B 17 4.922 4.387 -6.428 1.00 61.14 O ATOM 1301 CB LYS B 17 5.506 1.432 -8.073 1.00 72.14 C ATOM 1302 CG LYS B 17 6.719 1.567 -8.978 1.00 14.25 C ATOM 1303 CD LYS B 17 6.324 1.989 -10.383 1.00 15.02 C ATOM 1304 CE LYS B 17 6.656 3.450 -10.639 1.00 63.42 C ATOM 1305 NZ LYS B 17 7.108 3.678 -12.040 1.00 14.03 N ATOM 0 H LYS B 17 5.274 0.223 -5.929 1.00 51.12 H new ATOM 0 HA LYS B 17 6.652 2.598 -6.676 1.00 2.41 H new ATOM 0 HB2 LYS B 17 5.302 0.374 -7.909 1.00 72.14 H new ATOM 0 HB3 LYS B 17 4.636 1.849 -8.581 1.00 72.14 H new ATOM 0 HG2 LYS B 17 7.408 2.300 -8.557 1.00 14.25 H new ATOM 0 HG3 LYS B 17 7.251 0.616 -9.019 1.00 14.25 H new ATOM 0 HD2 LYS B 17 6.841 1.364 -11.111 1.00 15.02 H new ATOM 0 HD3 LYS B 17 5.256 1.827 -10.526 1.00 15.02 H new ATOM 0 HE2 LYS B 17 5.778 4.063 -10.436 1.00 63.42 H new ATOM 0 HE3 LYS B 17 7.436 3.772 -9.949 1.00 63.42 H new ATOM 0 HZ1 LYS B 17 7.325 4.686 -12.175 1.00 14.03 H new ATOM 0 HZ2 LYS B 17 7.961 3.112 -12.226 1.00 14.03 H new ATOM 0 HZ3 LYS B 17 6.354 3.395 -12.698 1.00 14.03 H new ATOM 1319 N LEU B 18 3.345 2.787 -6.551 1.00 63.25 N ATOM 1320 CA LEU B 18 2.231 3.718 -6.399 1.00 5.41 C ATOM 1321 C LEU B 18 2.367 4.523 -5.111 1.00 4.52 C ATOM 1322 O LEU B 18 1.844 5.632 -5.002 1.00 20.42 O ATOM 1323 CB LEU B 18 0.903 2.961 -6.403 1.00 13.00 C ATOM 1324 CG LEU B 18 0.523 2.279 -7.718 1.00 20.13 C ATOM 1325 CD1 LEU B 18 -0.017 0.881 -7.457 1.00 3.22 C ATOM 1326 CD2 LEU B 18 -0.498 3.114 -8.475 1.00 63.32 C ATOM 0 H LEU B 18 3.068 1.811 -6.653 1.00 63.25 H new ATOM 0 HA LEU B 18 2.250 4.409 -7.242 1.00 5.41 H new ATOM 0 HB2 LEU B 18 0.938 2.203 -5.621 1.00 13.00 H new ATOM 0 HB3 LEU B 18 0.109 3.659 -6.136 1.00 13.00 H new ATOM 0 HG LEU B 18 1.419 2.191 -8.333 1.00 20.13 H new ATOM 0 HD11 LEU B 18 -0.282 0.411 -8.404 1.00 3.22 H new ATOM 0 HD12 LEU B 18 0.745 0.284 -6.956 1.00 3.22 H new ATOM 0 HD13 LEU B 18 -0.902 0.945 -6.823 1.00 3.22 H new ATOM 0 HD21 LEU B 18 -0.757 2.614 -9.408 1.00 63.32 H new ATOM 0 HD22 LEU B 18 -1.394 3.233 -7.866 1.00 63.32 H new ATOM 0 HD23 LEU B 18 -0.076 4.095 -8.694 1.00 63.32 H new ATOM 1338 N ALA B 19 3.076 3.959 -4.138 1.00 62.13 N ATOM 1339 CA ALA B 19 3.285 4.626 -2.859 1.00 60.31 C ATOM 1340 C ALA B 19 4.277 5.776 -2.996 1.00 10.24 C ATOM 1341 O ALA B 19 4.206 6.759 -2.260 1.00 73.32 O ATOM 1342 CB ALA B 19 3.768 3.629 -1.816 1.00 64.23 C ATOM 0 H ALA B 19 3.515 3.041 -4.212 1.00 62.13 H new ATOM 0 HA ALA B 19 2.331 5.041 -2.533 1.00 60.31 H new ATOM 0 HB1 ALA B 19 3.920 4.141 -0.866 1.00 64.23 H new ATOM 0 HB2 ALA B 19 3.022 2.844 -1.690 1.00 64.23 H new ATOM 0 HB3 ALA B 19 4.709 3.186 -2.144 1.00 64.23 H new ATOM 1348 N GLU B 20 5.203 5.643 -3.940 1.00 22.21 N ATOM 1349 CA GLU B 20 6.211 6.671 -4.170 1.00 12.33 C ATOM 1350 C GLU B 20 5.599 7.894 -4.847 1.00 74.22 C ATOM 1351 O GLU B 20 5.791 9.024 -4.402 1.00 13.22 O ATOM 1352 CB GLU B 20 7.351 6.117 -5.028 1.00 20.52 C ATOM 1353 CG GLU B 20 8.688 6.795 -4.777 1.00 74.53 C ATOM 1354 CD GLU B 20 9.782 6.283 -5.693 1.00 43.12 C ATOM 1355 OE1 GLU B 20 10.667 7.083 -6.065 1.00 75.31 O ATOM 1356 OE2 GLU B 20 9.754 5.083 -6.040 1.00 14.20 O ATOM 0 H GLU B 20 5.276 4.834 -4.557 1.00 22.21 H new ATOM 0 HA GLU B 20 6.609 6.975 -3.202 1.00 12.33 H new ATOM 0 HB2 GLU B 20 7.453 5.049 -4.836 1.00 20.52 H new ATOM 0 HB3 GLU B 20 7.089 6.228 -6.080 1.00 20.52 H new ATOM 0 HG2 GLU B 20 8.577 7.871 -4.915 1.00 74.53 H new ATOM 0 HG3 GLU B 20 8.983 6.635 -3.740 1.00 74.53 H new ATOM 1364 N GLU B 21 4.859 7.657 -5.926 1.00 33.52 N ATOM 1365 CA GLU B 21 4.218 8.738 -6.665 1.00 21.13 C ATOM 1366 C GLU B 21 3.308 9.556 -5.753 1.00 4.12 C ATOM 1367 O GLU B 21 3.342 10.786 -5.767 1.00 41.14 O ATOM 1368 CB GLU B 21 3.411 8.176 -7.838 1.00 14.12 C ATOM 1369 CG GLU B 21 2.438 7.079 -7.437 1.00 22.03 C ATOM 1370 CD GLU B 21 1.785 6.414 -8.633 1.00 75.02 C ATOM 1371 OE1 GLU B 21 0.617 6.745 -8.930 1.00 4.44 O ATOM 1372 OE2 GLU B 21 2.439 5.563 -9.270 1.00 71.42 O ATOM 0 H GLU B 21 4.689 6.726 -6.307 1.00 33.52 H new ATOM 0 HA GLU B 21 4.999 9.392 -7.051 1.00 21.13 H new ATOM 0 HB2 GLU B 21 2.856 8.988 -8.309 1.00 14.12 H new ATOM 0 HB3 GLU B 21 4.099 7.784 -8.587 1.00 14.12 H new ATOM 0 HG2 GLU B 21 2.966 6.327 -6.851 1.00 22.03 H new ATOM 0 HG3 GLU B 21 1.666 7.501 -6.794 1.00 22.03 H new ATOM 1380 N ALA B 22 2.496 8.863 -4.961 1.00 43.35 N ATOM 1381 CA ALA B 22 1.579 9.524 -4.042 1.00 74.21 C ATOM 1382 C ALA B 22 2.338 10.311 -2.979 1.00 3.24 C ATOM 1383 O ALA B 22 1.877 11.354 -2.518 1.00 2.44 O ATOM 1384 CB ALA B 22 0.659 8.503 -3.389 1.00 51.20 C ATOM 0 H ALA B 22 2.455 7.844 -4.938 1.00 43.35 H new ATOM 0 HA ALA B 22 0.975 10.228 -4.615 1.00 74.21 H new ATOM 0 HB1 ALA B 22 -0.021 9.011 -2.705 1.00 51.20 H new ATOM 0 HB2 ALA B 22 0.083 7.988 -4.158 1.00 51.20 H new ATOM 0 HB3 ALA B 22 1.255 7.777 -2.836 1.00 51.20 H new ATOM 1390 N ALA B 23 3.504 9.803 -2.594 1.00 21.21 N ATOM 1391 CA ALA B 23 4.328 10.459 -1.586 1.00 70.31 C ATOM 1392 C ALA B 23 4.943 11.744 -2.131 1.00 35.41 C ATOM 1393 O ALA B 23 4.862 12.799 -1.502 1.00 31.31 O ATOM 1394 CB ALA B 23 5.418 9.515 -1.099 1.00 41.13 C ATOM 0 H ALA B 23 3.899 8.939 -2.965 1.00 21.21 H new ATOM 0 HA ALA B 23 3.688 10.722 -0.744 1.00 70.31 H new ATOM 0 HB1 ALA B 23 6.026 10.018 -0.347 1.00 41.13 H new ATOM 0 HB2 ALA B 23 4.962 8.627 -0.662 1.00 41.13 H new ATOM 0 HB3 ALA B 23 6.049 9.223 -1.939 1.00 41.13 H new ATOM 1400 N LYS B 24 5.558 11.648 -3.305 1.00 31.34 N ATOM 1401 CA LYS B 24 6.187 12.802 -3.936 1.00 50.43 C ATOM 1402 C LYS B 24 5.147 13.858 -4.299 1.00 25.44 C ATOM 1403 O LYS B 24 5.404 15.058 -4.199 1.00 15.10 O ATOM 1404 CB LYS B 24 6.950 12.370 -5.190 1.00 2.53 C ATOM 1405 CG LYS B 24 6.073 11.714 -6.241 1.00 31.00 C ATOM 1406 CD LYS B 24 6.871 11.338 -7.478 1.00 73.43 C ATOM 1407 CE LYS B 24 6.139 11.730 -8.753 1.00 22.10 C ATOM 1408 NZ LYS B 24 6.682 12.986 -9.340 1.00 54.52 N ATOM 0 H LYS B 24 5.634 10.782 -3.839 1.00 31.34 H new ATOM 0 HA LYS B 24 6.888 13.238 -3.224 1.00 50.43 H new ATOM 0 HB2 LYS B 24 7.436 13.242 -5.628 1.00 2.53 H new ATOM 0 HB3 LYS B 24 7.740 11.676 -4.903 1.00 2.53 H new ATOM 0 HG2 LYS B 24 5.607 10.822 -5.822 1.00 31.00 H new ATOM 0 HG3 LYS B 24 5.267 12.393 -6.519 1.00 31.00 H new ATOM 0 HD2 LYS B 24 7.843 11.830 -7.449 1.00 73.43 H new ATOM 0 HD3 LYS B 24 7.058 10.264 -7.480 1.00 73.43 H new ATOM 0 HE2 LYS B 24 6.221 10.923 -9.482 1.00 22.10 H new ATOM 0 HE3 LYS B 24 5.078 11.859 -8.538 1.00 22.10 H new ATOM 0 HZ1 LYS B 24 6.157 13.219 -10.207 1.00 54.52 H new ATOM 0 HZ2 LYS B 24 6.581 13.762 -8.655 1.00 54.52 H new ATOM 0 HZ3 LYS B 24 7.688 12.856 -9.569 1.00 54.52 H new ATOM 1422 N LEU B 25 3.972 13.403 -4.720 1.00 63.31 N ATOM 1423 CA LEU B 25 2.892 14.308 -5.097 1.00 30.32 C ATOM 1424 C LEU B 25 2.217 14.893 -3.861 1.00 41.12 C ATOM 1425 O LEU B 25 1.851 16.069 -3.840 1.00 15.42 O ATOM 1426 CB LEU B 25 1.861 13.574 -5.956 1.00 24.43 C ATOM 1427 CG LEU B 25 2.080 13.637 -7.469 1.00 33.22 C ATOM 1428 CD1 LEU B 25 0.984 12.877 -8.199 1.00 70.30 C ATOM 1429 CD2 LEU B 25 2.135 15.082 -7.940 1.00 11.31 C ATOM 0 H LEU B 25 3.743 12.413 -4.809 1.00 63.31 H new ATOM 0 HA LEU B 25 3.321 15.126 -5.676 1.00 30.32 H new ATOM 0 HB2 LEU B 25 1.846 12.527 -5.655 1.00 24.43 H new ATOM 0 HB3 LEU B 25 0.875 13.983 -5.734 1.00 24.43 H new ATOM 0 HG LEU B 25 3.035 13.165 -7.699 1.00 33.22 H new ATOM 0 HD11 LEU B 25 1.156 12.933 -9.274 1.00 70.30 H new ATOM 0 HD12 LEU B 25 0.993 11.834 -7.884 1.00 70.30 H new ATOM 0 HD13 LEU B 25 0.016 13.319 -7.963 1.00 70.30 H new ATOM 0 HD21 LEU B 25 2.291 15.107 -9.018 1.00 11.31 H new ATOM 0 HD22 LEU B 25 1.196 15.580 -7.698 1.00 11.31 H new ATOM 0 HD23 LEU B 25 2.957 15.596 -7.442 1.00 11.31 H new ATOM 1441 N LEU B 26 2.056 14.067 -2.833 1.00 63.44 N ATOM 1442 CA LEU B 26 1.426 14.504 -1.593 1.00 0.15 C ATOM 1443 C LEU B 26 2.058 15.796 -1.086 1.00 44.11 C ATOM 1444 O LEU B 26 1.358 16.734 -0.707 1.00 71.54 O ATOM 1445 CB LEU B 26 1.546 13.413 -0.527 1.00 14.14 C ATOM 1446 CG LEU B 26 0.325 12.509 -0.352 1.00 2.30 C ATOM 1447 CD1 LEU B 26 0.669 11.312 0.521 1.00 61.44 C ATOM 1448 CD2 LEU B 26 -0.837 13.290 0.244 1.00 13.13 C ATOM 0 H LEU B 26 2.353 13.091 -2.834 1.00 63.44 H new ATOM 0 HA LEU B 26 0.372 14.693 -1.797 1.00 0.15 H new ATOM 0 HB2 LEU B 26 2.404 12.787 -0.771 1.00 14.14 H new ATOM 0 HB3 LEU B 26 1.761 13.890 0.430 1.00 14.14 H new ATOM 0 HG LEU B 26 0.024 12.143 -1.334 1.00 2.30 H new ATOM 0 HD11 LEU B 26 -0.212 10.680 0.635 1.00 61.44 H new ATOM 0 HD12 LEU B 26 1.470 10.739 0.053 1.00 61.44 H new ATOM 0 HD13 LEU B 26 0.996 11.659 1.501 1.00 61.44 H new ATOM 0 HD21 LEU B 26 -1.697 12.630 0.361 1.00 13.13 H new ATOM 0 HD22 LEU B 26 -0.548 13.686 1.218 1.00 13.13 H new ATOM 0 HD23 LEU B 26 -1.100 14.114 -0.419 1.00 13.13 H new ATOM 1460 N GLU B 27 3.388 15.839 -1.086 1.00 54.15 N ATOM 1461 CA GLU B 27 4.112 17.018 -0.628 1.00 43.41 C ATOM 1462 C GLU B 27 4.352 17.990 -1.779 1.00 25.15 C ATOM 1463 O GLU B 27 4.756 19.134 -1.568 1.00 31.42 O ATOM 1464 CB GLU B 27 5.448 16.611 -0.003 1.00 50.32 C ATOM 1465 CG GLU B 27 5.310 15.598 1.121 1.00 12.54 C ATOM 1466 CD GLU B 27 6.572 15.473 1.953 1.00 42.52 C ATOM 1467 OE1 GLU B 27 6.478 15.583 3.194 1.00 21.41 O ATOM 1468 OE2 GLU B 27 7.655 15.268 1.364 1.00 75.24 O ATOM 0 H GLU B 27 3.984 15.072 -1.398 1.00 54.15 H new ATOM 0 HA GLU B 27 3.503 17.518 0.125 1.00 43.41 H new ATOM 0 HB2 GLU B 27 6.091 16.195 -0.779 1.00 50.32 H new ATOM 0 HB3 GLU B 27 5.946 17.501 0.381 1.00 50.32 H new ATOM 0 HG2 GLU B 27 4.481 15.888 1.767 1.00 12.54 H new ATOM 0 HG3 GLU B 27 5.060 14.625 0.699 1.00 12.54 H new ATOM 1476 N GLY B 28 4.103 17.526 -3.000 1.00 21.20 N ATOM 1477 CA GLY B 28 4.299 18.366 -4.168 1.00 74.42 C ATOM 1478 C GLY B 28 5.758 18.694 -4.408 1.00 3.12 C ATOM 1479 O GLY B 28 6.084 19.752 -4.944 1.00 12.14 O ATOM 0 H GLY B 28 3.769 16.583 -3.201 1.00 21.20 H new ATOM 0 HA2 GLY B 28 3.894 17.862 -5.046 1.00 74.42 H new ATOM 0 HA3 GLY B 28 3.737 19.292 -4.044 1.00 74.42 H new ATOM 1483 N GLY B 29 6.641 17.783 -4.010 1.00 25.32 N ATOM 1484 CA GLY B 29 8.064 18.000 -4.192 1.00 25.20 C ATOM 1485 C GLY B 29 8.681 18.790 -3.056 1.00 1.35 C ATOM 1486 O GLY B 29 9.754 19.374 -3.206 1.00 32.50 O ATOM 0 H GLY B 29 6.396 16.899 -3.565 1.00 25.32 H new ATOM 0 HA2 GLY B 29 8.567 17.037 -4.276 1.00 25.20 H new ATOM 0 HA3 GLY B 29 8.230 18.529 -5.130 1.00 25.20 H new ATOM 1490 N GLY B 30 8.001 18.811 -1.913 1.00 73.41 N ATOM 1491 CA GLY B 30 8.503 19.540 -0.764 1.00 35.21 C ATOM 1492 C GLY B 30 7.429 20.375 -0.093 1.00 3.31 C ATOM 1493 O GLY B 30 6.939 21.346 -0.669 1.00 1.00 O ATOM 0 H GLY B 30 7.111 18.336 -1.763 1.00 73.41 H new ATOM 0 HA2 GLY B 30 8.915 18.835 -0.042 1.00 35.21 H new ATOM 0 HA3 GLY B 30 9.320 20.189 -1.078 1.00 35.21 H new ATOM 1497 N GLY B 31 7.062 19.996 1.128 1.00 24.01 N ATOM 1498 CA GLY B 31 6.042 20.728 1.855 1.00 21.42 C ATOM 1499 C GLY B 31 5.152 19.817 2.678 1.00 70.32 C ATOM 1500 O GLY B 31 5.545 18.705 3.029 1.00 50.02 O ATOM 0 H GLY B 31 7.453 19.196 1.626 1.00 24.01 H new ATOM 0 HA2 GLY B 31 6.519 21.455 2.512 1.00 21.42 H new ATOM 0 HA3 GLY B 31 5.429 21.289 1.150 1.00 21.42 H new ATOM 1504 N GLY B 32 3.948 20.290 2.986 1.00 1.12 N ATOM 1505 CA GLY B 32 3.019 19.498 3.772 1.00 3.34 C ATOM 1506 C GLY B 32 3.145 19.764 5.259 1.00 54.35 C ATOM 1507 O GLY B 32 4.114 20.372 5.709 1.00 44.15 O ATOM 0 H GLY B 32 3.599 21.207 2.706 1.00 1.12 H new ATOM 0 HA2 GLY B 32 2.000 19.715 3.452 1.00 3.34 H new ATOM 0 HA3 GLY B 32 3.195 18.440 3.579 1.00 3.34 H new ATOM 1511 N GLY B 33 2.158 19.307 6.025 1.00 52.11 N ATOM 1512 CA GLY B 33 2.180 19.511 7.462 1.00 22.32 C ATOM 1513 C GLY B 33 3.147 18.579 8.164 1.00 51.41 C ATOM 1514 O GLY B 33 2.744 17.558 8.719 1.00 50.00 O ATOM 0 H GLY B 33 1.345 18.800 5.676 1.00 52.11 H new ATOM 0 HA2 GLY B 33 2.456 20.544 7.675 1.00 22.32 H new ATOM 0 HA3 GLY B 33 1.178 19.359 7.863 1.00 22.32 H new ATOM 1518 N GLY B 34 4.430 18.931 8.140 1.00 53.14 N ATOM 1519 CA GLY B 34 5.437 18.108 8.782 1.00 20.35 C ATOM 1520 C GLY B 34 5.743 16.848 7.995 1.00 13.25 C ATOM 1521 O GLY B 34 5.079 16.551 7.003 1.00 54.00 O ATOM 0 H GLY B 34 4.789 19.772 7.687 1.00 53.14 H new ATOM 0 HA2 GLY B 34 6.352 18.688 8.904 1.00 20.35 H new ATOM 0 HA3 GLY B 34 5.096 17.835 9.781 1.00 20.35 H new ATOM 1525 N GLY B 35 6.754 16.107 8.438 1.00 50.11 N ATOM 1526 CA GLY B 35 7.131 14.882 7.755 1.00 10.41 C ATOM 1527 C GLY B 35 6.599 13.644 8.450 1.00 43.52 C ATOM 1528 O GLY B 35 6.460 12.590 7.830 1.00 54.44 O ATOM 0 H GLY B 35 7.319 16.332 9.257 1.00 50.11 H new ATOM 0 HA2 GLY B 35 6.756 14.910 6.732 1.00 10.41 H new ATOM 0 HA3 GLY B 35 8.218 14.823 7.695 1.00 10.41 H new ATOM 1532 N GLU B 36 6.304 13.772 9.740 1.00 62.33 N ATOM 1533 CA GLU B 36 5.786 12.653 10.518 1.00 22.04 C ATOM 1534 C GLU B 36 4.453 12.169 9.957 1.00 64.13 C ATOM 1535 O GLU B 36 4.206 10.966 9.865 1.00 62.23 O ATOM 1536 CB GLU B 36 5.617 13.058 11.984 1.00 11.12 C ATOM 1537 CG GLU B 36 4.949 11.992 12.837 1.00 53.34 C ATOM 1538 CD GLU B 36 5.551 11.895 14.225 1.00 31.32 C ATOM 1539 OE1 GLU B 36 4.864 12.274 15.197 1.00 31.21 O ATOM 1540 OE2 GLU B 36 6.707 11.438 14.340 1.00 1.55 O ATOM 0 H GLU B 36 6.415 14.638 10.267 1.00 62.33 H new ATOM 0 HA GLU B 36 6.505 11.836 10.453 1.00 22.04 H new ATOM 0 HB2 GLU B 36 6.596 13.287 12.404 1.00 11.12 H new ATOM 0 HB3 GLU B 36 5.027 13.973 12.034 1.00 11.12 H new ATOM 0 HG2 GLU B 36 3.885 12.213 12.921 1.00 53.34 H new ATOM 0 HG3 GLU B 36 5.036 11.026 12.339 1.00 53.34 H new ATOM 1548 N LEU B 37 3.598 13.114 9.582 1.00 24.52 N ATOM 1549 CA LEU B 37 2.289 12.785 9.028 1.00 21.54 C ATOM 1550 C LEU B 37 2.427 11.922 7.777 1.00 40.01 C ATOM 1551 O LEU B 37 1.769 10.891 7.646 1.00 33.32 O ATOM 1552 CB LEU B 37 1.517 14.063 8.697 1.00 33.13 C ATOM 1553 CG LEU B 37 0.164 13.872 8.010 1.00 33.43 C ATOM 1554 CD1 LEU B 37 -0.752 13.009 8.866 1.00 44.34 C ATOM 1555 CD2 LEU B 37 -0.483 15.219 7.723 1.00 62.45 C ATOM 0 H LEU B 37 3.787 14.114 9.651 1.00 24.52 H new ATOM 0 HA LEU B 37 1.737 12.219 9.778 1.00 21.54 H new ATOM 0 HB2 LEU B 37 1.357 14.617 9.622 1.00 33.13 H new ATOM 0 HB3 LEU B 37 2.142 14.686 8.057 1.00 33.13 H new ATOM 0 HG LEU B 37 0.328 13.361 7.061 1.00 33.43 H new ATOM 0 HD11 LEU B 37 -1.710 12.884 8.361 1.00 44.34 H new ATOM 0 HD12 LEU B 37 -0.293 12.033 9.020 1.00 44.34 H new ATOM 0 HD13 LEU B 37 -0.910 13.492 9.830 1.00 44.34 H new ATOM 0 HD21 LEU B 37 -1.445 15.064 7.234 1.00 62.45 H new ATOM 0 HD22 LEU B 37 -0.634 15.757 8.659 1.00 62.45 H new ATOM 0 HD23 LEU B 37 0.166 15.803 7.070 1.00 62.45 H new ATOM 1567 N MET B 38 3.290 12.352 6.862 1.00 72.43 N ATOM 1568 CA MET B 38 3.517 11.617 5.623 1.00 42.34 C ATOM 1569 C MET B 38 4.300 10.336 5.886 1.00 35.43 C ATOM 1570 O MET B 38 4.168 9.353 5.156 1.00 1.32 O ATOM 1571 CB MET B 38 4.270 12.490 4.617 1.00 53.43 C ATOM 1572 CG MET B 38 4.479 11.822 3.268 1.00 72.12 C ATOM 1573 SD MET B 38 6.197 11.878 2.725 1.00 11.40 S ATOM 1574 CE MET B 38 6.986 10.889 3.994 1.00 42.02 C ATOM 0 H MET B 38 3.843 13.204 6.955 1.00 72.43 H new ATOM 0 HA MET B 38 2.546 11.350 5.206 1.00 42.34 H new ATOM 0 HB2 MET B 38 3.719 13.419 4.471 1.00 53.43 H new ATOM 0 HB3 MET B 38 5.241 12.757 5.035 1.00 53.43 H new ATOM 0 HG2 MET B 38 4.154 10.783 3.327 1.00 72.12 H new ATOM 0 HG3 MET B 38 3.850 12.311 2.524 1.00 72.12 H new ATOM 0 HE1 MET B 38 8.005 10.651 3.689 1.00 42.02 H new ATOM 0 HE2 MET B 38 7.008 11.448 4.929 1.00 42.02 H new ATOM 0 HE3 MET B 38 6.425 9.965 4.137 1.00 42.02 H new ATOM 1584 N LYS B 39 5.116 10.351 6.935 1.00 62.22 N ATOM 1585 CA LYS B 39 5.920 9.190 7.296 1.00 13.21 C ATOM 1586 C LYS B 39 5.043 7.955 7.476 1.00 12.41 C ATOM 1587 O LYS B 39 5.492 6.827 7.270 1.00 74.40 O ATOM 1588 CB LYS B 39 6.701 9.465 8.583 1.00 55.30 C ATOM 1589 CG LYS B 39 7.890 8.543 8.783 1.00 1.34 C ATOM 1590 CD LYS B 39 7.938 7.990 10.197 1.00 52.11 C ATOM 1591 CE LYS B 39 8.468 6.565 10.222 1.00 71.12 C ATOM 1592 NZ LYS B 39 9.871 6.503 10.716 1.00 43.33 N ATOM 0 H LYS B 39 5.238 11.155 7.550 1.00 62.22 H new ATOM 0 HA LYS B 39 6.623 9.000 6.485 1.00 13.21 H new ATOM 0 HB2 LYS B 39 7.051 10.497 8.572 1.00 55.30 H new ATOM 0 HB3 LYS B 39 6.028 9.366 9.435 1.00 55.30 H new ATOM 0 HG2 LYS B 39 7.836 7.719 8.071 1.00 1.34 H new ATOM 0 HG3 LYS B 39 8.811 9.086 8.573 1.00 1.34 H new ATOM 0 HD2 LYS B 39 8.572 8.626 10.816 1.00 52.11 H new ATOM 0 HD3 LYS B 39 6.939 8.015 10.632 1.00 52.11 H new ATOM 0 HE2 LYS B 39 7.831 5.952 10.860 1.00 71.12 H new ATOM 0 HE3 LYS B 39 8.417 6.141 9.219 1.00 71.12 H new ATOM 0 HZ1 LYS B 39 10.195 5.515 10.718 1.00 43.33 H new ATOM 0 HZ2 LYS B 39 10.484 7.067 10.093 1.00 43.33 H new ATOM 0 HZ3 LYS B 39 9.916 6.884 11.683 1.00 43.33 H new ATOM 1606 N LEU B 40 3.790 8.175 7.860 1.00 62.20 N ATOM 1607 CA LEU B 40 2.849 7.080 8.065 1.00 63.15 C ATOM 1608 C LEU B 40 2.427 6.467 6.733 1.00 2.10 C ATOM 1609 O LEU B 40 2.182 5.264 6.642 1.00 21.24 O ATOM 1610 CB LEU B 40 1.617 7.576 8.824 1.00 70.20 C ATOM 1611 CG LEU B 40 1.802 7.809 10.324 1.00 43.01 C ATOM 1612 CD1 LEU B 40 0.790 8.824 10.835 1.00 63.52 C ATOM 1613 CD2 LEU B 40 1.679 6.498 11.087 1.00 53.33 C ATOM 0 H LEU B 40 3.403 9.102 8.036 1.00 62.20 H new ATOM 0 HA LEU B 40 3.347 6.311 8.656 1.00 63.15 H new ATOM 0 HB2 LEU B 40 1.287 8.510 8.370 1.00 70.20 H new ATOM 0 HB3 LEU B 40 0.814 6.852 8.685 1.00 70.20 H new ATOM 0 HG LEU B 40 2.802 8.209 10.490 1.00 43.01 H new ATOM 0 HD11 LEU B 40 0.937 8.977 11.904 1.00 63.52 H new ATOM 0 HD12 LEU B 40 0.927 9.770 10.311 1.00 63.52 H new ATOM 0 HD13 LEU B 40 -0.219 8.453 10.657 1.00 63.52 H new ATOM 0 HD21 LEU B 40 1.813 6.683 12.153 1.00 53.33 H new ATOM 0 HD22 LEU B 40 0.692 6.068 10.915 1.00 53.33 H new ATOM 0 HD23 LEU B 40 2.443 5.802 10.740 1.00 53.33 H new ATOM 1625 N CYS B 41 2.346 7.302 5.703 1.00 3.41 N ATOM 1626 CA CYS B 41 1.956 6.843 4.375 1.00 32.42 C ATOM 1627 C CYS B 41 3.068 6.017 3.737 1.00 32.31 C ATOM 1628 O CYS B 41 2.806 5.013 3.074 1.00 53.11 O ATOM 1629 CB CYS B 41 1.612 8.035 3.481 1.00 11.05 C ATOM 1630 SG CYS B 41 0.443 9.200 4.220 1.00 32.33 S ATOM 0 H CYS B 41 2.545 8.301 5.762 1.00 3.41 H new ATOM 0 HA CYS B 41 1.074 6.211 4.480 1.00 32.42 H new ATOM 0 HB2 CYS B 41 2.531 8.567 3.234 1.00 11.05 H new ATOM 0 HB3 CYS B 41 1.196 7.665 2.544 1.00 11.05 H new ATOM 0 HG CYS B 41 -0.712 9.086 3.634 1.00 32.33 H new ATOM 1636 N GLU B 42 4.309 6.447 3.940 1.00 52.32 N ATOM 1637 CA GLU B 42 5.460 5.748 3.381 1.00 33.44 C ATOM 1638 C GLU B 42 5.545 4.323 3.920 1.00 33.33 C ATOM 1639 O GLU B 42 6.092 3.433 3.268 1.00 45.32 O ATOM 1640 CB GLU B 42 6.750 6.504 3.705 1.00 3.43 C ATOM 1641 CG GLU B 42 8.010 5.774 3.270 1.00 34.44 C ATOM 1642 CD GLU B 42 9.029 6.697 2.632 1.00 13.23 C ATOM 1643 OE1 GLU B 42 10.213 6.633 3.023 1.00 11.32 O ATOM 1644 OE2 GLU B 42 8.644 7.483 1.742 1.00 74.40 O ATOM 0 H GLU B 42 4.543 7.275 4.487 1.00 52.32 H new ATOM 0 HA GLU B 42 5.335 5.703 2.299 1.00 33.44 H new ATOM 0 HB2 GLU B 42 6.720 7.480 3.221 1.00 3.43 H new ATOM 0 HB3 GLU B 42 6.796 6.682 4.779 1.00 3.43 H new ATOM 0 HG2 GLU B 42 8.459 5.286 4.135 1.00 34.44 H new ATOM 0 HG3 GLU B 42 7.744 4.988 2.563 1.00 34.44 H new ATOM 1652 N GLU B 43 5.000 4.113 5.114 1.00 53.43 N ATOM 1653 CA GLU B 43 5.015 2.797 5.740 1.00 74.41 C ATOM 1654 C GLU B 43 4.389 1.751 4.823 1.00 52.11 C ATOM 1655 O GLU B 43 4.707 0.565 4.908 1.00 34.22 O ATOM 1656 CB GLU B 43 4.267 2.834 7.075 1.00 3.32 C ATOM 1657 CG GLU B 43 4.833 3.842 8.062 1.00 71.41 C ATOM 1658 CD GLU B 43 5.522 3.181 9.240 1.00 23.55 C ATOM 1659 OE1 GLU B 43 5.355 3.671 10.376 1.00 54.13 O ATOM 1660 OE2 GLU B 43 6.229 2.174 9.025 1.00 74.50 O ATOM 0 H GLU B 43 4.543 4.838 5.667 1.00 53.43 H new ATOM 0 HA GLU B 43 6.054 2.521 5.921 1.00 74.41 H new ATOM 0 HB2 GLU B 43 3.219 3.070 6.888 1.00 3.32 H new ATOM 0 HB3 GLU B 43 4.295 1.842 7.525 1.00 3.32 H new ATOM 0 HG2 GLU B 43 5.543 4.490 7.547 1.00 71.41 H new ATOM 0 HG3 GLU B 43 4.027 4.479 8.428 1.00 71.41 H new ATOM 1668 N ALA B 44 3.497 2.199 3.946 1.00 72.11 N ATOM 1669 CA ALA B 44 2.826 1.303 3.012 1.00 44.44 C ATOM 1670 C ALA B 44 3.836 0.463 2.237 1.00 2.41 C ATOM 1671 O ALA B 44 3.650 -0.739 2.059 1.00 22.44 O ATOM 1672 CB ALA B 44 1.952 2.098 2.054 1.00 63.45 C ATOM 0 H ALA B 44 3.222 3.178 3.863 1.00 72.11 H new ATOM 0 HA ALA B 44 2.194 0.626 3.586 1.00 44.44 H new ATOM 0 HB1 ALA B 44 1.457 1.416 1.362 1.00 63.45 H new ATOM 0 HB2 ALA B 44 1.201 2.650 2.619 1.00 63.45 H new ATOM 0 HB3 ALA B 44 2.571 2.798 1.493 1.00 63.45 H new ATOM 1678 N ALA B 45 4.905 1.106 1.778 1.00 63.03 N ATOM 1679 CA ALA B 45 5.945 0.418 1.022 1.00 72.44 C ATOM 1680 C ALA B 45 6.817 -0.432 1.940 1.00 24.03 C ATOM 1681 O ALA B 45 7.424 -1.411 1.505 1.00 3.22 O ATOM 1682 CB ALA B 45 6.796 1.422 0.261 1.00 5.14 C ATOM 0 H ALA B 45 5.074 2.102 1.916 1.00 63.03 H new ATOM 0 HA ALA B 45 5.462 -0.246 0.306 1.00 72.44 H new ATOM 0 HB1 ALA B 45 7.568 0.894 -0.299 1.00 5.14 H new ATOM 0 HB2 ALA B 45 6.166 1.983 -0.430 1.00 5.14 H new ATOM 0 HB3 ALA B 45 7.264 2.110 0.965 1.00 5.14 H new ATOM 1688 N LYS B 46 6.876 -0.052 3.211 1.00 4.43 N ATOM 1689 CA LYS B 46 7.675 -0.778 4.191 1.00 14.24 C ATOM 1690 C LYS B 46 7.087 -2.160 4.456 1.00 72.35 C ATOM 1691 O LYS B 46 7.805 -3.158 4.481 1.00 22.35 O ATOM 1692 CB LYS B 46 7.757 0.012 5.499 1.00 1.54 C ATOM 1693 CG LYS B 46 9.180 0.314 5.938 1.00 13.01 C ATOM 1694 CD LYS B 46 9.765 -0.826 6.754 1.00 5.04 C ATOM 1695 CE LYS B 46 9.245 -0.814 8.183 1.00 4.03 C ATOM 1696 NZ LYS B 46 8.587 -2.100 8.544 1.00 32.35 N ATOM 0 H LYS B 46 6.379 0.756 3.587 1.00 4.43 H new ATOM 0 HA LYS B 46 8.679 -0.901 3.784 1.00 14.24 H new ATOM 0 HB2 LYS B 46 7.215 0.950 5.382 1.00 1.54 H new ATOM 0 HB3 LYS B 46 7.254 -0.551 6.286 1.00 1.54 H new ATOM 0 HG2 LYS B 46 9.802 0.492 5.061 1.00 13.01 H new ATOM 0 HG3 LYS B 46 9.193 1.230 6.529 1.00 13.01 H new ATOM 0 HD2 LYS B 46 9.516 -1.777 6.283 1.00 5.04 H new ATOM 0 HD3 LYS B 46 10.852 -0.749 6.761 1.00 5.04 H new ATOM 0 HE2 LYS B 46 10.071 -0.624 8.868 1.00 4.03 H new ATOM 0 HE3 LYS B 46 8.535 0.004 8.304 1.00 4.03 H new ATOM 0 HZ1 LYS B 46 8.246 -2.052 9.525 1.00 32.35 H new ATOM 0 HZ2 LYS B 46 7.783 -2.270 7.906 1.00 32.35 H new ATOM 0 HZ3 LYS B 46 9.271 -2.878 8.453 1.00 32.35 H new ATOM 1710 N LYS B 47 5.773 -2.210 4.652 1.00 53.00 N ATOM 1711 CA LYS B 47 5.086 -3.469 4.913 1.00 73.43 C ATOM 1712 C LYS B 47 5.364 -4.481 3.805 1.00 43.22 C ATOM 1713 O LYS B 47 5.811 -5.597 4.068 1.00 52.04 O ATOM 1714 CB LYS B 47 3.579 -3.236 5.036 1.00 54.32 C ATOM 1715 CG LYS B 47 3.159 -2.676 6.385 1.00 63.01 C ATOM 1716 CD LYS B 47 2.885 -3.783 7.388 1.00 63.31 C ATOM 1717 CE LYS B 47 3.944 -3.823 8.478 1.00 0.51 C ATOM 1718 NZ LYS B 47 3.506 -3.100 9.704 1.00 75.51 N ATOM 0 H LYS B 47 5.163 -1.393 4.635 1.00 53.00 H new ATOM 0 HA LYS B 47 5.464 -3.871 5.853 1.00 73.43 H new ATOM 0 HB2 LYS B 47 3.261 -2.549 4.252 1.00 54.32 H new ATOM 0 HB3 LYS B 47 3.059 -4.178 4.865 1.00 54.32 H new ATOM 0 HG2 LYS B 47 3.943 -2.022 6.768 1.00 63.01 H new ATOM 0 HG3 LYS B 47 2.265 -2.065 6.264 1.00 63.01 H new ATOM 0 HD2 LYS B 47 1.904 -3.633 7.838 1.00 63.31 H new ATOM 0 HD3 LYS B 47 2.856 -4.743 6.873 1.00 63.31 H new ATOM 0 HE2 LYS B 47 4.168 -4.860 8.729 1.00 0.51 H new ATOM 0 HE3 LYS B 47 4.867 -3.379 8.104 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 4.256 -3.150 10.423 1.00 75.51 H new ATOM 0 HZ2 LYS B 47 3.316 -2.104 9.471 1.00 75.51 H new ATOM 0 HZ3 LYS B 47 2.640 -3.540 10.075 1.00 75.51 H new ATOM 1732 N ALA B 48 5.099 -4.082 2.566 1.00 62.03 N ATOM 1733 CA ALA B 48 5.325 -4.951 1.418 1.00 74.43 C ATOM 1734 C ALA B 48 6.796 -5.333 1.299 1.00 64.03 C ATOM 1735 O ALA B 48 7.128 -6.422 0.833 1.00 4.42 O ATOM 1736 CB ALA B 48 4.847 -4.275 0.141 1.00 32.25 C ATOM 0 H ALA B 48 4.727 -3.162 2.331 1.00 62.03 H new ATOM 0 HA ALA B 48 4.751 -5.865 1.568 1.00 74.43 H new ATOM 0 HB1 ALA B 48 5.022 -4.936 -0.708 1.00 32.25 H new ATOM 0 HB2 ALA B 48 3.781 -4.060 0.220 1.00 32.25 H new ATOM 0 HB3 ALA B 48 5.395 -3.344 -0.005 1.00 32.25 H new ATOM 1742 N GLU B 49 7.673 -4.428 1.721 1.00 54.31 N ATOM 1743 CA GLU B 49 9.110 -4.670 1.660 1.00 73.11 C ATOM 1744 C GLU B 49 9.541 -5.661 2.737 1.00 13.33 C ATOM 1745 O GLU B 49 10.502 -6.407 2.558 1.00 21.42 O ATOM 1746 CB GLU B 49 9.878 -3.357 1.824 1.00 65.03 C ATOM 1747 CG GLU B 49 10.251 -2.701 0.503 1.00 35.52 C ATOM 1748 CD GLU B 49 11.274 -1.596 0.669 1.00 10.41 C ATOM 1749 OE1 GLU B 49 12.478 -1.870 0.484 1.00 3.21 O ATOM 1750 OE2 GLU B 49 10.872 -0.456 0.985 1.00 61.23 O ATOM 0 H GLU B 49 7.414 -3.521 2.109 1.00 54.31 H new ATOM 0 HA GLU B 49 9.339 -5.098 0.684 1.00 73.11 H new ATOM 0 HB2 GLU B 49 9.273 -2.662 2.407 1.00 65.03 H new ATOM 0 HB3 GLU B 49 10.787 -3.546 2.396 1.00 65.03 H new ATOM 0 HG2 GLU B 49 10.646 -3.457 -0.175 1.00 35.52 H new ATOM 0 HG3 GLU B 49 9.353 -2.293 0.038 1.00 35.52 H new ATOM 1758 N GLU B 50 8.822 -5.660 3.856 1.00 53.10 N ATOM 1759 CA GLU B 50 9.131 -6.558 4.963 1.00 25.02 C ATOM 1760 C GLU B 50 8.773 -7.999 4.610 1.00 1.12 C ATOM 1761 O GLU B 50 9.590 -8.909 4.763 1.00 65.51 O ATOM 1762 CB GLU B 50 8.379 -6.129 6.224 1.00 44.33 C ATOM 1763 CG GLU B 50 9.010 -6.634 7.510 1.00 50.04 C ATOM 1764 CD GLU B 50 8.116 -6.425 8.717 1.00 13.34 C ATOM 1765 OE1 GLU B 50 7.733 -7.431 9.351 1.00 70.45 O ATOM 1766 OE2 GLU B 50 7.802 -5.257 9.030 1.00 20.44 O ATOM 0 H GLU B 50 8.023 -5.048 4.019 1.00 53.10 H new ATOM 0 HA GLU B 50 10.203 -6.503 5.153 1.00 25.02 H new ATOM 0 HB2 GLU B 50 8.331 -5.041 6.256 1.00 44.33 H new ATOM 0 HB3 GLU B 50 7.353 -6.492 6.166 1.00 44.33 H new ATOM 0 HG2 GLU B 50 9.235 -7.696 7.408 1.00 50.04 H new ATOM 0 HG3 GLU B 50 9.958 -6.121 7.671 1.00 50.04 H new ATOM 1774 N LEU B 51 7.548 -8.200 4.138 1.00 10.41 N ATOM 1775 CA LEU B 51 7.080 -9.530 3.765 1.00 62.11 C ATOM 1776 C LEU B 51 7.792 -10.025 2.509 1.00 11.35 C ATOM 1777 O LEU B 51 7.980 -11.227 2.323 1.00 74.32 O ATOM 1778 CB LEU B 51 5.568 -9.513 3.533 1.00 33.24 C ATOM 1779 CG LEU B 51 5.049 -8.455 2.559 1.00 51.02 C ATOM 1780 CD1 LEU B 51 4.889 -9.045 1.166 1.00 53.22 C ATOM 1781 CD2 LEU B 51 3.730 -7.879 3.050 1.00 52.42 C ATOM 0 H LEU B 51 6.860 -7.459 4.004 1.00 10.41 H new ATOM 0 HA LEU B 51 7.309 -10.212 4.584 1.00 62.11 H new ATOM 0 HB2 LEU B 51 5.266 -10.494 3.167 1.00 33.24 H new ATOM 0 HB3 LEU B 51 5.075 -9.366 4.494 1.00 33.24 H new ATOM 0 HG LEU B 51 5.779 -7.647 2.508 1.00 51.02 H new ATOM 0 HD11 LEU B 51 4.519 -8.278 0.486 1.00 53.22 H new ATOM 0 HD12 LEU B 51 5.854 -9.409 0.812 1.00 53.22 H new ATOM 0 HD13 LEU B 51 4.180 -9.872 1.200 1.00 53.22 H new ATOM 0 HD21 LEU B 51 3.376 -7.128 2.344 1.00 52.42 H new ATOM 0 HD22 LEU B 51 2.992 -8.677 3.131 1.00 52.42 H new ATOM 0 HD23 LEU B 51 3.875 -7.419 4.027 1.00 52.42 H new ATOM 1793 N PHE B 52 8.191 -9.090 1.653 1.00 53.55 N ATOM 1794 CA PHE B 52 8.883 -9.430 0.417 1.00 11.04 C ATOM 1795 C PHE B 52 10.138 -10.250 0.705 1.00 52.41 C ATOM 1796 O PHE B 52 10.591 -11.030 -0.133 1.00 74.11 O ATOM 1797 CB PHE B 52 9.256 -8.160 -0.351 1.00 51.22 C ATOM 1798 CG PHE B 52 10.110 -8.419 -1.560 1.00 54.32 C ATOM 1799 CD1 PHE B 52 9.550 -8.920 -2.724 1.00 11.43 C ATOM 1800 CD2 PHE B 52 11.470 -8.160 -1.531 1.00 2.30 C ATOM 1801 CE1 PHE B 52 10.334 -9.160 -3.837 1.00 54.12 C ATOM 1802 CE2 PHE B 52 12.258 -8.397 -2.641 1.00 21.24 C ATOM 1803 CZ PHE B 52 11.690 -8.896 -3.796 1.00 74.21 C ATOM 0 H PHE B 52 8.046 -8.090 1.794 1.00 53.55 H new ATOM 0 HA PHE B 52 8.209 -10.030 -0.194 1.00 11.04 H new ATOM 0 HB2 PHE B 52 8.343 -7.652 -0.663 1.00 51.22 H new ATOM 0 HB3 PHE B 52 9.785 -7.482 0.319 1.00 51.22 H new ATOM 0 HD1 PHE B 52 8.490 -9.125 -2.762 1.00 11.43 H new ATOM 0 HD2 PHE B 52 11.920 -7.768 -0.631 1.00 2.30 H new ATOM 0 HE1 PHE B 52 9.887 -9.554 -4.738 1.00 54.12 H new ATOM 0 HE2 PHE B 52 13.318 -8.192 -2.605 1.00 21.24 H new ATOM 0 HZ PHE B 52 12.304 -9.080 -4.665 1.00 74.21 H new ATOM 1813 N LYS B 53 10.696 -10.066 1.897 1.00 32.44 N ATOM 1814 CA LYS B 53 11.898 -10.788 2.298 1.00 3.34 C ATOM 1815 C LYS B 53 11.678 -12.296 2.222 1.00 12.22 C ATOM 1816 O LYS B 53 12.402 -13.005 1.521 1.00 54.32 O ATOM 1817 CB LYS B 53 12.305 -10.392 3.719 1.00 14.34 C ATOM 1818 CG LYS B 53 13.795 -10.519 3.983 1.00 2.31 C ATOM 1819 CD LYS B 53 14.530 -9.229 3.659 1.00 62.20 C ATOM 1820 CE LYS B 53 15.759 -9.488 2.801 1.00 4.12 C ATOM 1821 NZ LYS B 53 16.477 -8.228 2.465 1.00 55.42 N ATOM 0 H LYS B 53 10.335 -9.423 2.602 1.00 32.44 H new ATOM 0 HA LYS B 53 12.699 -10.521 1.609 1.00 3.34 H new ATOM 0 HB2 LYS B 53 11.999 -9.362 3.902 1.00 14.34 H new ATOM 0 HB3 LYS B 53 11.764 -11.016 4.430 1.00 14.34 H new ATOM 0 HG2 LYS B 53 13.959 -10.780 5.028 1.00 2.31 H new ATOM 0 HG3 LYS B 53 14.204 -11.332 3.383 1.00 2.31 H new ATOM 0 HD2 LYS B 53 13.858 -8.547 3.138 1.00 62.20 H new ATOM 0 HD3 LYS B 53 14.828 -8.737 4.585 1.00 62.20 H new ATOM 0 HE2 LYS B 53 16.435 -10.161 3.329 1.00 4.12 H new ATOM 0 HE3 LYS B 53 15.460 -9.992 1.882 1.00 4.12 H new ATOM 0 HZ1 LYS B 53 17.308 -8.448 1.880 1.00 55.42 H new ATOM 0 HZ2 LYS B 53 15.841 -7.595 1.939 1.00 55.42 H new ATOM 0 HZ3 LYS B 53 16.785 -7.760 3.341 1.00 55.42 H new ATOM 1835 N LEU B 54 10.676 -12.780 2.948 1.00 64.42 N ATOM 1836 CA LEU B 54 10.359 -14.204 2.961 1.00 4.41 C ATOM 1837 C LEU B 54 9.690 -14.625 1.657 1.00 32.31 C ATOM 1838 O LEU B 54 10.020 -15.664 1.086 1.00 62.10 O ATOM 1839 CB LEU B 54 9.449 -14.533 4.146 1.00 5.42 C ATOM 1840 CG LEU B 54 10.151 -14.991 5.425 1.00 4.31 C ATOM 1841 CD1 LEU B 54 9.167 -15.045 6.582 1.00 34.25 C ATOM 1842 CD2 LEU B 54 10.808 -16.347 5.216 1.00 22.23 C ATOM 0 H LEU B 54 10.069 -12.208 3.535 1.00 64.42 H new ATOM 0 HA LEU B 54 11.292 -14.758 3.063 1.00 4.41 H new ATOM 0 HB2 LEU B 54 8.855 -13.649 4.378 1.00 5.42 H new ATOM 0 HB3 LEU B 54 8.753 -15.313 3.838 1.00 5.42 H new ATOM 0 HG LEU B 54 10.929 -14.268 5.670 1.00 4.31 H new ATOM 0 HD11 LEU B 54 9.684 -15.373 7.484 1.00 34.25 H new ATOM 0 HD12 LEU B 54 8.744 -14.054 6.746 1.00 34.25 H new ATOM 0 HD13 LEU B 54 8.367 -15.747 6.347 1.00 34.25 H new ATOM 0 HD21 LEU B 54 11.303 -16.657 6.136 1.00 22.23 H new ATOM 0 HD22 LEU B 54 10.049 -17.081 4.947 1.00 22.23 H new ATOM 0 HD23 LEU B 54 11.544 -16.275 4.415 1.00 22.23 H new ATOM 1854 N ALA B 55 8.747 -13.812 1.192 1.00 3.15 N ATOM 1855 CA ALA B 55 8.034 -14.098 -0.046 1.00 73.12 C ATOM 1856 C ALA B 55 9.001 -14.239 -1.217 1.00 13.02 C ATOM 1857 O ALA B 55 8.714 -14.936 -2.189 1.00 31.41 O ATOM 1858 CB ALA B 55 7.012 -13.007 -0.331 1.00 24.03 C ATOM 0 H ALA B 55 8.459 -12.950 1.655 1.00 3.15 H new ATOM 0 HA ALA B 55 7.512 -15.047 0.076 1.00 73.12 H new ATOM 0 HB1 ALA B 55 6.487 -13.234 -1.259 1.00 24.03 H new ATOM 0 HB2 ALA B 55 6.295 -12.957 0.489 1.00 24.03 H new ATOM 0 HB3 ALA B 55 7.521 -12.048 -0.427 1.00 24.03 H new ATOM 1864 N GLU B 56 10.146 -13.572 -1.116 1.00 10.32 N ATOM 1865 CA GLU B 56 11.155 -13.623 -2.168 1.00 60.34 C ATOM 1866 C GLU B 56 11.681 -15.044 -2.350 1.00 75.15 C ATOM 1867 O GLU B 56 12.033 -15.449 -3.456 1.00 4.41 O ATOM 1868 CB GLU B 56 12.311 -12.676 -1.843 1.00 64.11 C ATOM 1869 CG GLU B 56 13.572 -12.957 -2.645 1.00 55.03 C ATOM 1870 CD GLU B 56 14.260 -11.689 -3.112 1.00 22.31 C ATOM 1871 OE1 GLU B 56 15.099 -11.157 -2.356 1.00 15.32 O ATOM 1872 OE2 GLU B 56 13.961 -11.231 -4.234 1.00 41.15 O ATOM 0 H GLU B 56 10.398 -12.990 -0.317 1.00 10.32 H new ATOM 0 HA GLU B 56 10.687 -13.306 -3.100 1.00 60.34 H new ATOM 0 HB2 GLU B 56 11.993 -11.650 -2.030 1.00 64.11 H new ATOM 0 HB3 GLU B 56 12.542 -12.750 -0.780 1.00 64.11 H new ATOM 0 HG2 GLU B 56 14.264 -13.538 -2.035 1.00 55.03 H new ATOM 0 HG3 GLU B 56 13.319 -13.569 -3.511 1.00 55.03 H new ATOM 1880 N GLU B 57 11.731 -15.794 -1.253 1.00 51.12 N ATOM 1881 CA GLU B 57 12.215 -17.169 -1.291 1.00 2.22 C ATOM 1882 C GLU B 57 11.378 -18.016 -2.245 1.00 44.33 C ATOM 1883 O GLU B 57 11.908 -18.655 -3.154 1.00 10.41 O ATOM 1884 CB GLU B 57 12.186 -17.782 0.110 1.00 11.23 C ATOM 1885 CG GLU B 57 12.855 -19.144 0.193 1.00 61.41 C ATOM 1886 CD GLU B 57 13.045 -19.615 1.622 1.00 72.22 C ATOM 1887 OE1 GLU B 57 12.259 -20.476 2.071 1.00 41.45 O ATOM 1888 OE2 GLU B 57 13.977 -19.124 2.291 1.00 44.44 O ATOM 0 H GLU B 57 11.443 -15.473 -0.329 1.00 51.12 H new ATOM 0 HA GLU B 57 13.243 -17.154 -1.653 1.00 2.22 H new ATOM 0 HB2 GLU B 57 12.678 -17.102 0.805 1.00 11.23 H new ATOM 0 HB3 GLU B 57 11.150 -17.875 0.435 1.00 11.23 H new ATOM 0 HG2 GLU B 57 12.253 -19.874 -0.349 1.00 61.41 H new ATOM 0 HG3 GLU B 57 13.825 -19.099 -0.303 1.00 61.41 H new ATOM 1896 N ARG B 58 10.066 -18.013 -2.032 1.00 60.42 N ATOM 1897 CA ARG B 58 9.154 -18.782 -2.871 1.00 1.24 C ATOM 1898 C ARG B 58 8.914 -18.075 -4.202 1.00 52.22 C ATOM 1899 O ARG B 58 8.649 -18.717 -5.219 1.00 51.13 O ATOM 1900 CB ARG B 58 7.823 -19.000 -2.149 1.00 4.04 C ATOM 1901 CG ARG B 58 7.981 -19.423 -0.698 1.00 54.10 C ATOM 1902 CD ARG B 58 7.730 -18.261 0.251 1.00 43.24 C ATOM 1903 NE ARG B 58 7.335 -18.716 1.582 1.00 41.32 N ATOM 1904 CZ ARG B 58 6.701 -17.949 2.462 1.00 30.45 C ATOM 1905 NH1 ARG B 58 6.392 -16.697 2.155 1.00 64.24 N ATOM 1906 NH2 ARG B 58 6.375 -18.435 3.653 1.00 2.03 N ATOM 0 H ARG B 58 9.611 -17.487 -1.286 1.00 60.42 H new ATOM 0 HA ARG B 58 9.613 -19.750 -3.071 1.00 1.24 H new ATOM 0 HB2 ARG B 58 7.242 -18.079 -2.189 1.00 4.04 H new ATOM 0 HB3 ARG B 58 7.251 -19.761 -2.680 1.00 4.04 H new ATOM 0 HG2 ARG B 58 7.286 -20.232 -0.476 1.00 54.10 H new ATOM 0 HG3 ARG B 58 8.986 -19.814 -0.539 1.00 54.10 H new ATOM 0 HD2 ARG B 58 8.633 -17.655 0.328 1.00 43.24 H new ATOM 0 HD3 ARG B 58 6.950 -17.620 -0.159 1.00 43.24 H new ATOM 0 HE ARG B 58 7.558 -19.675 1.850 1.00 41.32 H new ATOM 0 HH11 ARG B 58 6.641 -16.320 1.241 1.00 64.24 H new ATOM 0 HH12 ARG B 58 5.905 -16.111 2.833 1.00 64.24 H new ATOM 0 HH21 ARG B 58 6.611 -19.398 3.893 1.00 2.03 H new ATOM 0 HH22 ARG B 58 5.888 -17.846 4.328 1.00 2.03 H new ATOM 1920 N LEU B 59 9.008 -16.750 -4.187 1.00 53.14 N ATOM 1921 CA LEU B 59 8.799 -15.955 -5.391 1.00 65.35 C ATOM 1922 C LEU B 59 9.908 -16.208 -6.410 1.00 54.23 C ATOM 1923 O LEU B 59 9.648 -16.649 -7.529 1.00 32.13 O ATOM 1924 CB LEU B 59 8.743 -14.466 -5.042 1.00 20.43 C ATOM 1925 CG LEU B 59 7.388 -13.939 -4.567 1.00 62.52 C ATOM 1926 CD1 LEU B 59 7.512 -12.501 -4.091 1.00 1.11 C ATOM 1927 CD2 LEU B 59 6.355 -14.048 -5.679 1.00 41.53 C ATOM 0 H LEU B 59 9.228 -16.204 -3.354 1.00 53.14 H new ATOM 0 HA LEU B 59 7.848 -16.254 -5.832 1.00 65.35 H new ATOM 0 HB2 LEU B 59 9.481 -14.267 -4.264 1.00 20.43 H new ATOM 0 HB3 LEU B 59 9.045 -13.896 -5.921 1.00 20.43 H new ATOM 0 HG LEU B 59 7.055 -14.550 -3.728 1.00 62.52 H new ATOM 0 HD11 LEU B 59 6.538 -12.143 -3.757 1.00 1.11 H new ATOM 0 HD12 LEU B 59 8.220 -12.451 -3.264 1.00 1.11 H new ATOM 0 HD13 LEU B 59 7.867 -11.876 -4.910 1.00 1.11 H new ATOM 0 HD21 LEU B 59 5.397 -13.669 -5.324 1.00 41.53 H new ATOM 0 HD22 LEU B 59 6.682 -13.462 -6.538 1.00 41.53 H new ATOM 0 HD23 LEU B 59 6.246 -15.092 -5.973 1.00 41.53 H new ATOM 1939 N LYS B 60 11.144 -15.927 -6.012 1.00 70.33 N ATOM 1940 CA LYS B 60 12.293 -16.127 -6.887 1.00 1.41 C ATOM 1941 C LYS B 60 13.312 -17.060 -6.241 1.00 31.05 C ATOM 1942 O LYS B 60 13.261 -18.276 -6.426 1.00 31.11 O ATOM 1943 CB LYS B 60 12.950 -14.785 -7.214 1.00 41.15 C ATOM 1944 CG LYS B 60 12.662 -13.700 -6.189 1.00 24.34 C ATOM 1945 CD LYS B 60 11.387 -12.944 -6.521 1.00 11.24 C ATOM 1946 CE LYS B 60 11.688 -11.552 -7.056 1.00 1.12 C ATOM 1947 NZ LYS B 60 12.571 -11.598 -8.255 1.00 10.22 N ATOM 0 H LYS B 60 11.376 -15.560 -5.089 1.00 70.33 H new ATOM 0 HA LYS B 60 11.940 -16.586 -7.810 1.00 1.41 H new ATOM 0 HB2 LYS B 60 14.028 -14.926 -7.288 1.00 41.15 H new ATOM 0 HB3 LYS B 60 12.605 -14.450 -8.192 1.00 41.15 H new ATOM 0 HG2 LYS B 60 12.573 -14.148 -5.199 1.00 24.34 H new ATOM 0 HG3 LYS B 60 13.499 -13.003 -6.150 1.00 24.34 H new ATOM 0 HD2 LYS B 60 10.813 -13.503 -7.260 1.00 11.24 H new ATOM 0 HD3 LYS B 60 10.766 -12.866 -5.628 1.00 11.24 H new ATOM 0 HE2 LYS B 60 10.754 -11.051 -7.312 1.00 1.12 H new ATOM 0 HE3 LYS B 60 12.165 -10.958 -6.276 1.00 1.12 H new ATOM 0 HZ1 LYS B 60 12.385 -10.769 -8.855 1.00 10.22 H new ATOM 0 HZ2 LYS B 60 13.566 -11.591 -7.954 1.00 10.22 H new ATOM 0 HZ3 LYS B 60 12.379 -12.466 -8.795 1.00 10.22 H new ATOM 1961 N LYS B 61 14.237 -16.483 -5.481 1.00 34.12 N ATOM 1962 CA LYS B 61 15.268 -17.263 -4.804 1.00 53.03 C ATOM 1963 C LYS B 61 16.279 -16.349 -4.119 1.00 21.53 C ATOM 1964 O LYS B 61 17.468 -16.664 -4.050 1.00 51.45 O ATOM 1965 CB LYS B 61 15.983 -18.176 -5.803 1.00 72.24 C ATOM 1966 CG LYS B 61 15.960 -19.642 -5.410 1.00 11.03 C ATOM 1967 CD LYS B 61 17.354 -20.156 -5.090 1.00 43.02 C ATOM 1968 CE LYS B 61 17.311 -21.556 -4.499 1.00 73.20 C ATOM 1969 NZ LYS B 61 18.505 -22.359 -4.883 1.00 40.11 N ATOM 0 H LYS B 61 14.294 -15.478 -5.318 1.00 34.12 H new ATOM 0 HA LYS B 61 14.785 -17.876 -4.043 1.00 53.03 H new ATOM 0 HB2 LYS B 61 15.518 -18.064 -6.782 1.00 72.24 H new ATOM 0 HB3 LYS B 61 17.019 -17.851 -5.903 1.00 72.24 H new ATOM 0 HG2 LYS B 61 15.314 -19.777 -4.543 1.00 11.03 H new ATOM 0 HG3 LYS B 61 15.532 -20.230 -6.221 1.00 11.03 H new ATOM 0 HD2 LYS B 61 17.958 -20.162 -5.998 1.00 43.02 H new ATOM 0 HD3 LYS B 61 17.840 -19.479 -4.388 1.00 43.02 H new ATOM 0 HE2 LYS B 61 17.253 -21.490 -3.413 1.00 73.20 H new ATOM 0 HE3 LYS B 61 16.408 -22.065 -4.836 1.00 73.20 H new ATOM 0 HZ1 LYS B 61 18.437 -23.307 -4.460 1.00 40.11 H new ATOM 0 HZ2 LYS B 61 18.547 -22.445 -5.919 1.00 40.11 H new ATOM 0 HZ3 LYS B 61 19.366 -21.887 -4.539 1.00 40.11 H new ATOM 1983 N LEU B 62 15.800 -15.218 -3.614 1.00 11.31 N ATOM 1984 CA LEU B 62 16.662 -14.259 -2.932 1.00 54.40 C ATOM 1985 C LEU B 62 17.889 -13.932 -3.778 1.00 54.20 C ATOM 1986 O LEU B 62 18.285 -12.769 -3.840 1.00 71.43 O ATOM 1987 CB LEU B 62 17.098 -14.811 -1.573 1.00 22.12 C ATOM 1988 CG LEU B 62 16.299 -14.326 -0.363 1.00 62.53 C ATOM 1989 CD1 LEU B 62 15.246 -15.352 0.026 1.00 72.12 C ATOM 1990 CD2 LEU B 62 17.226 -14.039 0.808 1.00 14.11 C ATOM 0 H LEU B 62 14.819 -14.942 -3.664 1.00 11.31 H new ATOM 0 HA LEU B 62 16.094 -13.342 -2.779 1.00 54.40 H new ATOM 0 HB2 LEU B 62 17.039 -15.899 -1.610 1.00 22.12 H new ATOM 0 HB3 LEU B 62 18.146 -14.553 -1.418 1.00 22.12 H new ATOM 0 HG LEU B 62 15.792 -13.400 -0.633 1.00 62.53 H new ATOM 0 HD11 LEU B 62 14.687 -14.990 0.889 1.00 72.12 H new ATOM 0 HD12 LEU B 62 14.563 -15.508 -0.809 1.00 72.12 H new ATOM 0 HD13 LEU B 62 15.732 -16.295 0.278 1.00 72.12 H new ATOM 0 HD21 LEU B 62 16.640 -13.695 1.660 1.00 14.11 H new ATOM 0 HD22 LEU B 62 17.762 -14.949 1.080 1.00 14.11 H new ATOM 0 HD23 LEU B 62 17.942 -13.267 0.525 1.00 14.11 H new