USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=11 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 Set 1.1: B 1 MET N :NH3+ -152:sc= -0.395 (180deg=-0.621) USER MOD Set 1.2: B 2 LYS NZ :NH3+ 147:sc= -0.0131 (180deg=-0.318) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= -0.0126 (180deg=-0.282) 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+ 176:sc= 0 (180deg=-0.0221) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000714) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 171:sc= -0.869 (180deg=-1.09) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 170:sc= 0.00236 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0.163 (180deg=0.161) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 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+ -178:sc= 0 (180deg=-0.00616) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl 169:sc= -0.7 (180deg=-1.11) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -70:sc= 0.199 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -14.120 23.561 1.853 1.00 43.14 N ATOM 19 CA LYS A 2 -13.559 22.455 1.087 1.00 15.55 C ATOM 20 C LYS A 2 -13.408 22.833 -0.383 1.00 72.02 C ATOM 21 O LYS A 2 -14.242 23.548 -0.941 1.00 74.40 O ATOM 22 CB LYS A 2 -14.447 21.216 1.216 1.00 70.40 C ATOM 23 CG LYS A 2 -14.308 20.505 2.551 1.00 60.31 C ATOM 24 CD LYS A 2 -15.223 21.109 3.603 1.00 61.32 C ATOM 25 CE LYS A 2 -16.687 20.830 3.295 1.00 34.53 C ATOM 26 NZ LYS A 2 -17.408 22.061 2.869 1.00 54.31 N ATOM 0 HA LYS A 2 -12.572 22.231 1.490 1.00 15.55 H new ATOM 0 HB2 LYS A 2 -15.488 21.509 1.076 1.00 70.40 H new ATOM 0 HB3 LYS A 2 -14.202 20.519 0.415 1.00 70.40 H new ATOM 0 HG2 LYS A 2 -14.543 19.448 2.427 1.00 60.31 H new ATOM 0 HG3 LYS A 2 -13.274 20.564 2.890 1.00 60.31 H new ATOM 0 HD2 LYS A 2 -14.972 20.702 4.582 1.00 61.32 H new ATOM 0 HD3 LYS A 2 -15.060 22.185 3.654 1.00 61.32 H new ATOM 0 HE2 LYS A 2 -16.756 20.078 2.509 1.00 34.53 H new ATOM 0 HE3 LYS A 2 -17.171 20.413 4.178 1.00 34.53 H new ATOM 0 HZ1 LYS A 2 -18.186 21.804 2.228 1.00 54.31 H new ATOM 0 HZ2 LYS A 2 -17.794 22.544 3.705 1.00 54.31 H new ATOM 0 HZ3 LYS A 2 -16.749 22.696 2.375 1.00 54.31 H new ATOM 40 N LYS A 3 -12.340 22.348 -1.007 1.00 13.25 N ATOM 41 CA LYS A 3 -12.080 22.632 -2.413 1.00 11.04 C ATOM 42 C LYS A 3 -11.251 21.521 -3.049 1.00 25.13 C ATOM 43 O LYS A 3 -11.653 20.930 -4.053 1.00 1.03 O ATOM 44 CB LYS A 3 -11.352 23.971 -2.558 1.00 1.21 C ATOM 45 CG LYS A 3 -12.219 25.173 -2.228 1.00 40.33 C ATOM 46 CD LYS A 3 -11.564 26.471 -2.670 1.00 34.11 C ATOM 47 CE LYS A 3 -11.266 27.377 -1.485 1.00 64.14 C ATOM 48 NZ LYS A 3 -9.889 27.168 -0.958 1.00 30.11 N ATOM 0 H LYS A 3 -11.640 21.756 -0.560 1.00 13.25 H new ATOM 0 HA LYS A 3 -13.038 22.687 -2.929 1.00 11.04 H new ATOM 0 HB2 LYS A 3 -10.479 23.973 -1.905 1.00 1.21 H new ATOM 0 HB3 LYS A 3 -10.986 24.067 -3.580 1.00 1.21 H new ATOM 0 HG2 LYS A 3 -13.188 25.069 -2.716 1.00 40.33 H new ATOM 0 HG3 LYS A 3 -12.405 25.205 -1.154 1.00 40.33 H new ATOM 0 HD2 LYS A 3 -10.639 26.250 -3.202 1.00 34.11 H new ATOM 0 HD3 LYS A 3 -12.218 26.990 -3.370 1.00 34.11 H new ATOM 0 HE2 LYS A 3 -11.386 28.418 -1.785 1.00 64.14 H new ATOM 0 HE3 LYS A 3 -11.990 27.188 -0.693 1.00 64.14 H new ATOM 0 HZ1 LYS A 3 -9.726 27.804 -0.152 1.00 30.11 H new ATOM 0 HZ2 LYS A 3 -9.782 26.181 -0.648 1.00 30.11 H new ATOM 0 HZ3 LYS A 3 -9.196 27.373 -1.706 1.00 30.11 H new ATOM 62 N LEU A 4 -10.095 21.238 -2.458 1.00 5.43 N ATOM 63 CA LEU A 4 -9.211 20.195 -2.965 1.00 3.45 C ATOM 64 C LEU A 4 -8.717 19.301 -1.833 1.00 33.03 C ATOM 65 O LEU A 4 -7.787 18.514 -2.012 1.00 70.44 O ATOM 66 CB LEU A 4 -8.021 20.818 -3.696 1.00 3.41 C ATOM 67 CG LEU A 4 -8.337 21.520 -5.017 1.00 11.34 C ATOM 68 CD1 LEU A 4 -9.182 20.625 -5.909 1.00 41.14 C ATOM 69 CD2 LEU A 4 -9.045 22.844 -4.762 1.00 64.13 C ATOM 0 H LEU A 4 -9.748 21.717 -1.627 1.00 5.43 H new ATOM 0 HA LEU A 4 -9.778 19.582 -3.665 1.00 3.45 H new ATOM 0 HB2 LEU A 4 -7.547 21.538 -3.029 1.00 3.41 H new ATOM 0 HB3 LEU A 4 -7.289 20.034 -3.890 1.00 3.41 H new ATOM 0 HG LEU A 4 -7.398 21.726 -5.530 1.00 11.34 H new ATOM 0 HD11 LEU A 4 -9.397 21.142 -6.844 1.00 41.14 H new ATOM 0 HD12 LEU A 4 -8.638 19.704 -6.120 1.00 41.14 H new ATOM 0 HD13 LEU A 4 -10.118 20.386 -5.403 1.00 41.14 H new ATOM 0 HD21 LEU A 4 -9.262 23.330 -5.713 1.00 64.13 H new ATOM 0 HD22 LEU A 4 -9.977 22.661 -4.227 1.00 64.13 H new ATOM 0 HD23 LEU A 4 -8.403 23.490 -4.163 1.00 64.13 H new ATOM 81 N ARG A 5 -9.346 19.426 -0.669 1.00 51.21 N ATOM 82 CA ARG A 5 -8.970 18.630 0.493 1.00 11.23 C ATOM 83 C ARG A 5 -9.404 17.177 0.319 1.00 13.11 C ATOM 84 O ARG A 5 -8.623 16.255 0.548 1.00 11.55 O ATOM 85 CB ARG A 5 -9.597 19.212 1.761 1.00 35.44 C ATOM 86 CG ARG A 5 -9.430 20.718 1.886 1.00 22.40 C ATOM 87 CD ARG A 5 -10.204 21.267 3.074 1.00 62.34 C ATOM 88 NE ARG A 5 -9.319 21.813 4.099 1.00 61.50 N ATOM 89 CZ ARG A 5 -9.729 22.622 5.069 1.00 74.41 C ATOM 90 NH1 ARG A 5 -11.003 22.977 5.146 1.00 43.32 N ATOM 91 NH2 ARG A 5 -8.863 23.077 5.966 1.00 11.24 N ATOM 0 H ARG A 5 -10.119 20.071 -0.506 1.00 51.21 H new ATOM 0 HA ARG A 5 -7.884 18.659 0.587 1.00 11.23 H new ATOM 0 HB2 ARG A 5 -10.660 18.970 1.775 1.00 35.44 H new ATOM 0 HB3 ARG A 5 -9.149 18.732 2.631 1.00 35.44 H new ATOM 0 HG2 ARG A 5 -8.373 20.960 1.996 1.00 22.40 H new ATOM 0 HG3 ARG A 5 -9.774 21.201 0.971 1.00 22.40 H new ATOM 0 HD2 ARG A 5 -10.887 22.045 2.733 1.00 62.34 H new ATOM 0 HD3 ARG A 5 -10.814 20.474 3.507 1.00 62.34 H new ATOM 0 HE ARG A 5 -8.332 21.559 4.068 1.00 61.50 H new ATOM 0 HH11 ARG A 5 -11.672 22.629 4.459 1.00 43.32 H new ATOM 0 HH12 ARG A 5 -11.315 23.599 5.892 1.00 43.32 H new ATOM 0 HH21 ARG A 5 -7.881 22.805 5.911 1.00 11.24 H new ATOM 0 HH22 ARG A 5 -9.179 23.698 6.711 1.00 11.24 H new ATOM 105 N GLU A 6 -10.655 16.983 -0.087 1.00 51.41 N ATOM 106 CA GLU A 6 -11.193 15.643 -0.290 1.00 21.30 C ATOM 107 C GLU A 6 -10.303 14.837 -1.232 1.00 3.05 C ATOM 108 O GLU A 6 -10.206 13.615 -1.117 1.00 34.41 O ATOM 109 CB GLU A 6 -12.613 15.719 -0.852 1.00 65.03 C ATOM 110 CG GLU A 6 -12.662 15.929 -2.356 1.00 24.14 C ATOM 111 CD GLU A 6 -14.078 16.070 -2.879 1.00 3.33 C ATOM 112 OE1 GLU A 6 -14.250 16.636 -3.980 1.00 42.21 O ATOM 113 OE2 GLU A 6 -15.014 15.615 -2.190 1.00 3.51 O ATOM 0 H GLU A 6 -11.314 17.736 -0.282 1.00 51.41 H new ATOM 0 HA GLU A 6 -11.220 15.140 0.676 1.00 21.30 H new ATOM 0 HB2 GLU A 6 -13.142 14.799 -0.605 1.00 65.03 H new ATOM 0 HB3 GLU A 6 -13.145 16.534 -0.362 1.00 65.03 H new ATOM 0 HG2 GLU A 6 -12.093 16.822 -2.613 1.00 24.14 H new ATOM 0 HG3 GLU A 6 -12.177 15.088 -2.853 1.00 24.14 H new ATOM 121 N GLU A 7 -9.658 15.530 -2.164 1.00 31.34 N ATOM 122 CA GLU A 7 -8.777 14.879 -3.127 1.00 21.22 C ATOM 123 C GLU A 7 -7.728 14.028 -2.418 1.00 75.34 C ATOM 124 O GLU A 7 -7.360 12.954 -2.891 1.00 24.43 O ATOM 125 CB GLU A 7 -8.091 15.922 -4.012 1.00 61.41 C ATOM 126 CG GLU A 7 -9.060 16.757 -4.831 1.00 34.52 C ATOM 127 CD GLU A 7 -9.516 16.051 -6.093 1.00 31.43 C ATOM 128 OE1 GLU A 7 -9.797 16.746 -7.093 1.00 73.31 O ATOM 129 OE2 GLU A 7 -9.592 14.805 -6.082 1.00 73.04 O ATOM 0 H GLU A 7 -9.728 16.542 -2.273 1.00 31.34 H new ATOM 0 HA GLU A 7 -9.386 14.226 -3.753 1.00 21.22 H new ATOM 0 HB2 GLU A 7 -7.495 16.584 -3.384 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -7.400 15.416 -4.687 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -9.930 17.000 -4.221 1.00 34.52 H new ATOM 0 HG3 GLU A 7 -8.584 17.701 -5.099 1.00 34.52 H new ATOM 137 N ALA A 8 -7.250 14.519 -1.279 1.00 72.22 N ATOM 138 CA ALA A 8 -6.243 13.804 -0.502 1.00 52.55 C ATOM 139 C ALA A 8 -6.804 12.499 0.055 1.00 54.41 C ATOM 140 O ALA A 8 -6.063 11.548 0.298 1.00 14.42 O ATOM 141 CB ALA A 8 -5.727 14.683 0.628 1.00 73.13 C ATOM 0 H ALA A 8 -7.543 15.408 -0.874 1.00 72.22 H new ATOM 0 HA ALA A 8 -5.414 13.559 -1.166 1.00 52.55 H new ATOM 0 HB1 ALA A 8 -4.976 14.137 1.200 1.00 73.13 H new ATOM 0 HB2 ALA A 8 -5.280 15.586 0.212 1.00 73.13 H new ATOM 0 HB3 ALA A 8 -6.554 14.956 1.283 1.00 73.13 H new ATOM 147 N ALA A 9 -8.118 12.463 0.255 1.00 31.22 N ATOM 148 CA ALA A 9 -8.778 11.275 0.781 1.00 34.41 C ATOM 149 C ALA A 9 -8.865 10.182 -0.278 1.00 24.43 C ATOM 150 O ALA A 9 -8.878 8.992 0.041 1.00 63.42 O ATOM 151 CB ALA A 9 -10.166 11.626 1.296 1.00 22.24 C ATOM 0 H ALA A 9 -8.746 13.243 0.061 1.00 31.22 H new ATOM 0 HA ALA A 9 -8.181 10.895 1.610 1.00 34.41 H new ATOM 0 HB1 ALA A 9 -10.647 10.729 1.686 1.00 22.24 H new ATOM 0 HB2 ALA A 9 -10.083 12.367 2.091 1.00 22.24 H new ATOM 0 HB3 ALA A 9 -10.764 12.033 0.481 1.00 22.24 H new ATOM 157 N LYS A 10 -8.926 10.590 -1.541 1.00 4.11 N ATOM 158 CA LYS A 10 -9.012 9.646 -2.649 1.00 70.41 C ATOM 159 C LYS A 10 -7.658 8.996 -2.916 1.00 71.33 C ATOM 160 O LYS A 10 -7.584 7.835 -3.321 1.00 11.34 O ATOM 161 CB LYS A 10 -9.509 10.353 -3.912 1.00 73.40 C ATOM 162 CG LYS A 10 -10.692 11.273 -3.667 1.00 2.44 C ATOM 163 CD LYS A 10 -11.805 11.026 -4.673 1.00 74.02 C ATOM 164 CE LYS A 10 -11.547 11.760 -5.980 1.00 52.41 C ATOM 165 NZ LYS A 10 -11.870 10.916 -7.163 1.00 3.32 N ATOM 0 H LYS A 10 -8.917 11.570 -1.823 1.00 4.11 H new ATOM 0 HA LYS A 10 -9.722 8.866 -2.374 1.00 70.41 H new ATOM 0 HB2 LYS A 10 -8.691 10.933 -4.340 1.00 73.40 H new ATOM 0 HB3 LYS A 10 -9.789 9.603 -4.652 1.00 73.40 H new ATOM 0 HG2 LYS A 10 -11.072 11.119 -2.657 1.00 2.44 H new ATOM 0 HG3 LYS A 10 -10.366 12.311 -3.730 1.00 2.44 H new ATOM 0 HD2 LYS A 10 -11.892 9.957 -4.866 1.00 74.02 H new ATOM 0 HD3 LYS A 10 -12.756 11.353 -4.253 1.00 74.02 H new ATOM 0 HE2 LYS A 10 -12.145 12.671 -6.009 1.00 52.41 H new ATOM 0 HE3 LYS A 10 -10.501 12.064 -6.025 1.00 52.41 H new ATOM 0 HZ1 LYS A 10 -11.681 11.452 -8.034 1.00 3.32 H new ATOM 0 HZ2 LYS A 10 -11.281 10.059 -7.149 1.00 3.32 H new ATOM 0 HZ3 LYS A 10 -12.874 10.647 -7.134 1.00 3.32 H new ATOM 179 N LEU A 11 -6.589 9.750 -2.685 1.00 62.35 N ATOM 180 CA LEU A 11 -5.237 9.247 -2.898 1.00 1.12 C ATOM 181 C LEU A 11 -5.031 7.915 -2.183 1.00 12.43 C ATOM 182 O LEU A 11 -4.545 6.950 -2.773 1.00 2.00 O ATOM 183 CB LEU A 11 -4.208 10.267 -2.407 1.00 3.24 C ATOM 184 CG LEU A 11 -4.316 11.670 -3.005 1.00 34.11 C ATOM 185 CD1 LEU A 11 -3.154 12.537 -2.546 1.00 62.42 C ATOM 186 CD2 LEU A 11 -4.364 11.601 -4.525 1.00 63.45 C ATOM 0 H LEU A 11 -6.633 10.712 -2.350 1.00 62.35 H new ATOM 0 HA LEU A 11 -5.100 9.088 -3.968 1.00 1.12 H new ATOM 0 HB2 LEU A 11 -4.295 10.348 -1.323 1.00 3.24 H new ATOM 0 HB3 LEU A 11 -3.212 9.879 -2.619 1.00 3.24 H new ATOM 0 HG LEU A 11 -5.243 12.123 -2.653 1.00 34.11 H new ATOM 0 HD11 LEU A 11 -3.248 13.532 -2.982 1.00 62.42 H new ATOM 0 HD12 LEU A 11 -3.165 12.615 -1.459 1.00 62.42 H new ATOM 0 HD13 LEU A 11 -2.215 12.087 -2.868 1.00 62.42 H new ATOM 0 HD21 LEU A 11 -4.441 12.609 -4.933 1.00 63.45 H new ATOM 0 HD22 LEU A 11 -3.455 11.128 -4.897 1.00 63.45 H new ATOM 0 HD23 LEU A 11 -5.230 11.017 -4.836 1.00 63.45 H new ATOM 198 N PHE A 12 -5.407 7.870 -0.909 1.00 25.25 N ATOM 199 CA PHE A 12 -5.265 6.656 -0.113 1.00 71.03 C ATOM 200 C PHE A 12 -6.316 5.622 -0.506 1.00 50.20 C ATOM 201 O PHE A 12 -6.143 4.427 -0.271 1.00 61.22 O ATOM 202 CB PHE A 12 -5.387 6.981 1.377 1.00 35.44 C ATOM 203 CG PHE A 12 -4.242 7.797 1.907 1.00 71.52 C ATOM 204 CD1 PHE A 12 -2.935 7.482 1.572 1.00 63.32 C ATOM 205 CD2 PHE A 12 -4.474 8.879 2.741 1.00 73.24 C ATOM 206 CE1 PHE A 12 -1.879 8.230 2.058 1.00 42.34 C ATOM 207 CE2 PHE A 12 -3.422 9.632 3.230 1.00 45.34 C ATOM 208 CZ PHE A 12 -2.124 9.307 2.889 1.00 24.44 C ATOM 0 H PHE A 12 -5.812 8.659 -0.406 1.00 25.25 H new ATOM 0 HA PHE A 12 -4.278 6.237 -0.308 1.00 71.03 H new ATOM 0 HB2 PHE A 12 -6.318 7.521 1.548 1.00 35.44 H new ATOM 0 HB3 PHE A 12 -5.451 6.050 1.940 1.00 35.44 H new ATOM 0 HD1 PHE A 12 -2.739 6.641 0.923 1.00 63.32 H new ATOM 0 HD2 PHE A 12 -5.487 9.137 3.012 1.00 73.24 H new ATOM 0 HE1 PHE A 12 -0.865 7.974 1.789 1.00 42.34 H new ATOM 0 HE2 PHE A 12 -3.616 10.474 3.878 1.00 45.34 H new ATOM 0 HZ PHE A 12 -1.301 9.893 3.271 1.00 24.44 H new ATOM 218 N GLU A 13 -7.406 6.092 -1.106 1.00 74.12 N ATOM 219 CA GLU A 13 -8.485 5.209 -1.531 1.00 21.12 C ATOM 220 C GLU A 13 -7.978 4.172 -2.530 1.00 45.45 C ATOM 221 O GLU A 13 -8.405 3.018 -2.511 1.00 52.41 O ATOM 222 CB GLU A 13 -9.623 6.020 -2.154 1.00 74.41 C ATOM 223 CG GLU A 13 -10.989 5.374 -1.995 1.00 3.23 C ATOM 224 CD GLU A 13 -12.070 6.095 -2.778 1.00 22.53 C ATOM 225 OE1 GLU A 13 -13.236 5.649 -2.726 1.00 20.43 O ATOM 226 OE2 GLU A 13 -11.750 7.102 -3.441 1.00 34.15 O ATOM 0 H GLU A 13 -7.564 7.079 -1.308 1.00 74.12 H new ATOM 0 HA GLU A 13 -8.861 4.687 -0.651 1.00 21.12 H new ATOM 0 HB2 GLU A 13 -9.644 7.010 -1.699 1.00 74.41 H new ATOM 0 HB3 GLU A 13 -9.419 6.161 -3.215 1.00 74.41 H new ATOM 0 HG2 GLU A 13 -10.937 4.337 -2.325 1.00 3.23 H new ATOM 0 HG3 GLU A 13 -11.259 5.359 -0.939 1.00 3.23 H new ATOM 234 N GLU A 14 -7.066 4.593 -3.399 1.00 14.12 N ATOM 235 CA GLU A 14 -6.502 3.703 -4.406 1.00 3.24 C ATOM 236 C GLU A 14 -5.501 2.737 -3.780 1.00 51.31 C ATOM 237 O GLU A 14 -5.379 1.589 -4.206 1.00 23.35 O ATOM 238 CB GLU A 14 -5.824 4.512 -5.514 1.00 33.50 C ATOM 239 CG GLU A 14 -6.646 5.695 -5.994 1.00 22.20 C ATOM 240 CD GLU A 14 -6.322 6.088 -7.423 1.00 54.55 C ATOM 241 OE1 GLU A 14 -7.256 6.138 -8.250 1.00 64.42 O ATOM 242 OE2 GLU A 14 -5.135 6.348 -7.713 1.00 64.14 O ATOM 0 H GLU A 14 -6.702 5.545 -3.426 1.00 14.12 H new ATOM 0 HA GLU A 14 -7.318 3.123 -4.838 1.00 3.24 H new ATOM 0 HB2 GLU A 14 -4.861 4.873 -5.152 1.00 33.50 H new ATOM 0 HB3 GLU A 14 -5.621 3.855 -6.359 1.00 33.50 H new ATOM 0 HG2 GLU A 14 -7.706 5.451 -5.919 1.00 22.20 H new ATOM 0 HG3 GLU A 14 -6.468 6.547 -5.337 1.00 22.20 H new ATOM 250 N TRP A 15 -4.786 3.211 -2.766 1.00 41.43 N ATOM 251 CA TRP A 15 -3.795 2.391 -2.079 1.00 4.21 C ATOM 252 C TRP A 15 -4.411 1.083 -1.596 1.00 53.23 C ATOM 253 O TRP A 15 -3.888 0.001 -1.865 1.00 42.01 O ATOM 254 CB TRP A 15 -3.199 3.156 -0.897 1.00 52.31 C ATOM 255 CG TRP A 15 -2.253 4.244 -1.309 1.00 22.41 C ATOM 256 CD1 TRP A 15 -2.270 4.945 -2.481 1.00 4.04 C ATOM 257 CD2 TRP A 15 -1.148 4.751 -0.552 1.00 44.40 C ATOM 258 NE1 TRP A 15 -1.243 5.857 -2.498 1.00 42.42 N ATOM 259 CE2 TRP A 15 -0.541 5.759 -1.326 1.00 61.11 C ATOM 260 CE3 TRP A 15 -0.616 4.453 0.705 1.00 33.54 C ATOM 261 CZ2 TRP A 15 0.572 6.468 -0.883 1.00 61.21 C ATOM 262 CZ3 TRP A 15 0.491 5.157 1.143 1.00 5.12 C ATOM 263 CH2 TRP A 15 1.074 6.155 0.352 1.00 34.10 C ATOM 0 H TRP A 15 -4.874 4.159 -2.401 1.00 41.43 H new ATOM 0 HA TRP A 15 -3.001 2.157 -2.788 1.00 4.21 H new ATOM 0 HB2 TRP A 15 -4.008 3.591 -0.310 1.00 52.31 H new ATOM 0 HB3 TRP A 15 -2.675 2.455 -0.247 1.00 52.31 H new ATOM 0 HD1 TRP A 15 -2.986 4.803 -3.277 1.00 4.04 H new ATOM 0 HE1 TRP A 15 -1.037 6.503 -3.260 1.00 42.42 H new ATOM 0 HE3 TRP A 15 -1.061 3.687 1.323 1.00 33.54 H new ATOM 0 HZ2 TRP A 15 1.024 7.237 -1.492 1.00 61.21 H new ATOM 0 HZ3 TRP A 15 0.913 4.933 2.112 1.00 5.12 H new ATOM 0 HH2 TRP A 15 1.937 6.688 0.723 1.00 34.10 H new ATOM 274 N LYS A 16 -5.526 1.188 -0.880 1.00 61.11 N ATOM 275 CA LYS A 16 -6.215 0.014 -0.359 1.00 70.51 C ATOM 276 C LYS A 16 -6.899 -0.758 -1.482 1.00 5.41 C ATOM 277 O LYS A 16 -7.041 -1.979 -1.415 1.00 45.33 O ATOM 278 CB LYS A 16 -7.247 0.427 0.692 1.00 62.33 C ATOM 279 CG LYS A 16 -8.139 -0.714 1.150 1.00 52.55 C ATOM 280 CD LYS A 16 -9.532 -0.605 0.552 1.00 5.21 C ATOM 281 CE LYS A 16 -10.580 -1.229 1.461 1.00 72.54 C ATOM 282 NZ LYS A 16 -11.064 -2.535 0.937 1.00 10.23 N ATOM 0 H LYS A 16 -5.972 2.076 -0.647 1.00 61.11 H new ATOM 0 HA LYS A 16 -5.473 -0.635 0.105 1.00 70.51 H new ATOM 0 HB2 LYS A 16 -6.727 0.840 1.556 1.00 62.33 H new ATOM 0 HB3 LYS A 16 -7.870 1.223 0.284 1.00 62.33 H new ATOM 0 HG2 LYS A 16 -7.692 -1.665 0.862 1.00 52.55 H new ATOM 0 HG3 LYS A 16 -8.207 -0.710 2.238 1.00 52.55 H new ATOM 0 HD2 LYS A 16 -9.775 0.444 0.382 1.00 5.21 H new ATOM 0 HD3 LYS A 16 -9.551 -1.099 -0.420 1.00 5.21 H new ATOM 0 HE2 LYS A 16 -10.159 -1.371 2.456 1.00 72.54 H new ATOM 0 HE3 LYS A 16 -11.423 -0.545 1.566 1.00 72.54 H new ATOM 0 HZ1 LYS A 16 -11.726 -2.959 1.618 1.00 10.23 H new ATOM 0 HZ2 LYS A 16 -11.549 -2.386 0.029 1.00 10.23 H new ATOM 0 HZ3 LYS A 16 -10.255 -3.174 0.797 1.00 10.23 H new ATOM 296 N LYS A 17 -7.321 -0.039 -2.516 1.00 13.45 N ATOM 297 CA LYS A 17 -7.988 -0.656 -3.657 1.00 52.42 C ATOM 298 C LYS A 17 -7.043 -1.595 -4.399 1.00 71.43 C ATOM 299 O LYS A 17 -7.376 -2.752 -4.656 1.00 65.04 O ATOM 300 CB LYS A 17 -8.509 0.421 -4.614 1.00 72.52 C ATOM 301 CG LYS A 17 -10.010 0.362 -4.836 1.00 20.05 C ATOM 302 CD LYS A 17 -10.560 1.707 -5.281 1.00 72.43 C ATOM 303 CE LYS A 17 -12.063 1.793 -5.064 1.00 1.13 C ATOM 304 NZ LYS A 17 -12.801 0.801 -5.895 1.00 35.43 N ATOM 0 H LYS A 17 -7.213 0.973 -2.588 1.00 13.45 H new ATOM 0 HA LYS A 17 -8.829 -1.238 -3.281 1.00 52.42 H new ATOM 0 HB2 LYS A 17 -8.247 1.403 -4.220 1.00 72.52 H new ATOM 0 HB3 LYS A 17 -8.004 0.317 -5.574 1.00 72.52 H new ATOM 0 HG2 LYS A 17 -10.238 -0.393 -5.589 1.00 20.05 H new ATOM 0 HG3 LYS A 17 -10.503 0.053 -3.915 1.00 20.05 H new ATOM 0 HD2 LYS A 17 -10.065 2.505 -4.728 1.00 72.43 H new ATOM 0 HD3 LYS A 17 -10.334 1.863 -6.336 1.00 72.43 H new ATOM 0 HE2 LYS A 17 -12.288 1.624 -4.011 1.00 1.13 H new ATOM 0 HE3 LYS A 17 -12.408 2.798 -5.306 1.00 1.13 H new ATOM 0 HZ1 LYS A 17 -13.823 0.903 -5.731 1.00 35.43 H new ATOM 0 HZ2 LYS A 17 -12.593 0.967 -6.900 1.00 35.43 H new ATOM 0 HZ3 LYS A 17 -12.503 -0.161 -5.634 1.00 35.43 H new ATOM 318 N LEU A 18 -5.862 -1.090 -4.739 1.00 62.22 N ATOM 319 CA LEU A 18 -4.866 -1.886 -5.449 1.00 10.33 C ATOM 320 C LEU A 18 -4.538 -3.161 -4.680 1.00 24.22 C ATOM 321 O LEU A 18 -4.108 -4.156 -5.263 1.00 11.02 O ATOM 322 CB LEU A 18 -3.593 -1.067 -5.669 1.00 35.11 C ATOM 323 CG LEU A 18 -3.746 0.199 -6.513 1.00 72.22 C ATOM 324 CD1 LEU A 18 -2.922 1.335 -5.927 1.00 23.33 C ATOM 325 CD2 LEU A 18 -3.340 -0.069 -7.955 1.00 71.22 C ATOM 0 H LEU A 18 -5.571 -0.134 -4.535 1.00 62.22 H new ATOM 0 HA LEU A 18 -5.283 -2.165 -6.417 1.00 10.33 H new ATOM 0 HB2 LEU A 18 -3.194 -0.784 -4.695 1.00 35.11 H new ATOM 0 HB3 LEU A 18 -2.850 -1.708 -6.143 1.00 35.11 H new ATOM 0 HG LEU A 18 -4.795 0.496 -6.501 1.00 72.22 H new ATOM 0 HD11 LEU A 18 -3.044 2.227 -6.541 1.00 23.33 H new ATOM 0 HD12 LEU A 18 -3.260 1.544 -4.912 1.00 23.33 H new ATOM 0 HD13 LEU A 18 -1.870 1.049 -5.907 1.00 23.33 H new ATOM 0 HD21 LEU A 18 -3.455 0.843 -8.541 1.00 71.22 H new ATOM 0 HD22 LEU A 18 -2.299 -0.391 -7.986 1.00 71.22 H new ATOM 0 HD23 LEU A 18 -3.974 -0.851 -8.372 1.00 71.22 H new ATOM 337 N ALA A 19 -4.745 -3.124 -3.368 1.00 42.04 N ATOM 338 CA ALA A 19 -4.475 -4.279 -2.519 1.00 53.42 C ATOM 339 C ALA A 19 -5.529 -5.363 -2.715 1.00 43.34 C ATOM 340 O ALA A 19 -5.249 -6.550 -2.554 1.00 53.34 O ATOM 341 CB ALA A 19 -4.414 -3.857 -1.058 1.00 13.31 C ATOM 0 H ALA A 19 -5.099 -2.307 -2.870 1.00 42.04 H new ATOM 0 HA ALA A 19 -3.509 -4.693 -2.807 1.00 53.42 H new ATOM 0 HB1 ALA A 19 -4.212 -4.729 -0.436 1.00 13.31 H new ATOM 0 HB2 ALA A 19 -3.619 -3.123 -0.924 1.00 13.31 H new ATOM 0 HB3 ALA A 19 -5.367 -3.416 -0.766 1.00 13.31 H new ATOM 347 N GLU A 20 -6.743 -4.945 -3.064 1.00 42.04 N ATOM 348 CA GLU A 20 -7.839 -5.883 -3.280 1.00 41.14 C ATOM 349 C GLU A 20 -7.652 -6.646 -4.588 1.00 43.54 C ATOM 350 O GLU A 20 -7.741 -7.873 -4.619 1.00 51.52 O ATOM 351 CB GLU A 20 -9.177 -5.141 -3.295 1.00 2.31 C ATOM 352 CG GLU A 20 -9.580 -4.583 -1.941 1.00 41.54 C ATOM 353 CD GLU A 20 -11.050 -4.220 -1.873 1.00 44.43 C ATOM 354 OE1 GLU A 20 -11.446 -3.228 -2.521 1.00 53.15 O ATOM 355 OE2 GLU A 20 -11.806 -4.927 -1.174 1.00 72.05 O ATOM 0 H GLU A 20 -6.991 -3.965 -3.203 1.00 42.04 H new ATOM 0 HA GLU A 20 -7.838 -6.600 -2.459 1.00 41.14 H new ATOM 0 HB2 GLU A 20 -9.121 -4.323 -4.013 1.00 2.31 H new ATOM 0 HB3 GLU A 20 -9.955 -5.820 -3.645 1.00 2.31 H new ATOM 0 HG2 GLU A 20 -9.355 -5.318 -1.168 1.00 41.54 H new ATOM 0 HG3 GLU A 20 -8.981 -3.699 -1.724 1.00 41.54 H new ATOM 363 N GLU A 21 -7.395 -5.910 -5.664 1.00 61.44 N ATOM 364 CA GLU A 21 -7.197 -6.517 -6.975 1.00 41.34 C ATOM 365 C GLU A 21 -6.069 -7.545 -6.933 1.00 15.53 C ATOM 366 O GLU A 21 -6.207 -8.654 -7.448 1.00 40.21 O ATOM 367 CB GLU A 21 -6.884 -5.442 -8.018 1.00 4.33 C ATOM 368 CG GLU A 21 -5.748 -4.518 -7.618 1.00 74.14 C ATOM 369 CD GLU A 21 -5.574 -3.356 -8.577 1.00 41.41 C ATOM 370 OE1 GLU A 21 -4.420 -3.067 -8.955 1.00 41.10 O ATOM 371 OE2 GLU A 21 -6.593 -2.737 -8.950 1.00 62.53 O ATOM 0 H GLU A 21 -7.319 -4.893 -5.654 1.00 61.44 H new ATOM 0 HA GLU A 21 -8.119 -7.026 -7.255 1.00 41.34 H new ATOM 0 HB2 GLU A 21 -6.632 -5.926 -8.962 1.00 4.33 H new ATOM 0 HB3 GLU A 21 -7.780 -4.847 -8.194 1.00 4.33 H new ATOM 0 HG2 GLU A 21 -5.935 -4.132 -6.616 1.00 74.14 H new ATOM 0 HG3 GLU A 21 -4.820 -5.088 -7.572 1.00 74.14 H new ATOM 379 N ALA A 22 -4.954 -7.166 -6.319 1.00 53.13 N ATOM 380 CA ALA A 22 -3.803 -8.054 -6.209 1.00 14.04 C ATOM 381 C ALA A 22 -4.134 -9.281 -5.368 1.00 62.12 C ATOM 382 O ALA A 22 -3.616 -10.371 -5.611 1.00 43.42 O ATOM 383 CB ALA A 22 -2.616 -7.308 -5.615 1.00 4.12 C ATOM 0 H ALA A 22 -4.823 -6.250 -5.890 1.00 53.13 H new ATOM 0 HA ALA A 22 -3.540 -8.394 -7.211 1.00 14.04 H new ATOM 0 HB1 ALA A 22 -1.763 -7.983 -5.538 1.00 4.12 H new ATOM 0 HB2 ALA A 22 -2.356 -6.467 -6.258 1.00 4.12 H new ATOM 0 HB3 ALA A 22 -2.877 -6.940 -4.623 1.00 4.12 H new ATOM 389 N ALA A 23 -5.000 -9.097 -4.377 1.00 42.05 N ATOM 390 CA ALA A 23 -5.402 -10.190 -3.499 1.00 54.23 C ATOM 391 C ALA A 23 -6.289 -11.187 -4.236 1.00 71.12 C ATOM 392 O ALA A 23 -6.053 -12.394 -4.194 1.00 63.50 O ATOM 393 CB ALA A 23 -6.121 -9.646 -2.273 1.00 31.53 C ATOM 0 H ALA A 23 -5.437 -8.201 -4.162 1.00 42.05 H new ATOM 0 HA ALA A 23 -4.502 -10.713 -3.176 1.00 54.23 H new ATOM 0 HB1 ALA A 23 -6.415 -10.473 -1.627 1.00 31.53 H new ATOM 0 HB2 ALA A 23 -5.455 -8.978 -1.727 1.00 31.53 H new ATOM 0 HB3 ALA A 23 -7.009 -9.097 -2.586 1.00 31.53 H new ATOM 399 N LYS A 24 -7.313 -10.675 -4.911 1.00 1.22 N ATOM 400 CA LYS A 24 -8.237 -11.520 -5.659 1.00 71.34 C ATOM 401 C LYS A 24 -7.522 -12.221 -6.810 1.00 52.42 C ATOM 402 O LYS A 24 -7.818 -13.374 -7.126 1.00 34.11 O ATOM 403 CB LYS A 24 -9.401 -10.685 -6.198 1.00 22.14 C ATOM 404 CG LYS A 24 -8.966 -9.570 -7.133 1.00 53.33 C ATOM 405 CD LYS A 24 -10.159 -8.796 -7.669 1.00 2.32 C ATOM 406 CE LYS A 24 -10.840 -7.990 -6.573 1.00 70.40 C ATOM 407 NZ LYS A 24 -11.274 -6.651 -7.057 1.00 75.23 N ATOM 0 H LYS A 24 -7.524 -9.678 -4.955 1.00 1.22 H new ATOM 0 HA LYS A 24 -8.627 -12.279 -4.981 1.00 71.34 H new ATOM 0 HB2 LYS A 24 -10.094 -11.340 -6.725 1.00 22.14 H new ATOM 0 HB3 LYS A 24 -9.946 -10.253 -5.359 1.00 22.14 H new ATOM 0 HG2 LYS A 24 -8.298 -8.890 -6.604 1.00 53.33 H new ATOM 0 HG3 LYS A 24 -8.400 -9.991 -7.964 1.00 53.33 H new ATOM 0 HD2 LYS A 24 -9.832 -8.126 -8.464 1.00 2.32 H new ATOM 0 HD3 LYS A 24 -10.875 -9.489 -8.110 1.00 2.32 H new ATOM 0 HE2 LYS A 24 -11.705 -8.540 -6.202 1.00 70.40 H new ATOM 0 HE3 LYS A 24 -10.156 -7.868 -5.733 1.00 70.40 H new ATOM 0 HZ1 LYS A 24 -11.733 -6.133 -6.281 1.00 75.23 H new ATOM 0 HZ2 LYS A 24 -10.446 -6.116 -7.387 1.00 75.23 H new ATOM 0 HZ3 LYS A 24 -11.947 -6.767 -7.842 1.00 75.23 H new ATOM 421 N LEU A 25 -6.582 -11.519 -7.431 1.00 72.00 N ATOM 422 CA LEU A 25 -5.825 -12.075 -8.547 1.00 32.31 C ATOM 423 C LEU A 25 -4.760 -13.049 -8.051 1.00 42.21 C ATOM 424 O LEU A 25 -4.516 -14.086 -8.671 1.00 63.23 O ATOM 425 CB LEU A 25 -5.168 -10.953 -9.354 1.00 54.04 C ATOM 426 CG LEU A 25 -5.981 -10.404 -10.526 1.00 42.25 C ATOM 427 CD1 LEU A 25 -5.213 -9.302 -11.239 1.00 24.32 C ATOM 428 CD2 LEU A 25 -6.342 -11.520 -11.495 1.00 72.54 C ATOM 0 H LEU A 25 -6.325 -10.564 -7.181 1.00 72.00 H new ATOM 0 HA LEU A 25 -6.519 -12.618 -9.189 1.00 32.31 H new ATOM 0 HB2 LEU A 25 -4.943 -10.129 -8.677 1.00 54.04 H new ATOM 0 HB3 LEU A 25 -4.216 -11.319 -9.738 1.00 54.04 H new ATOM 0 HG LEU A 25 -6.905 -9.979 -10.134 1.00 42.25 H new ATOM 0 HD11 LEU A 25 -5.808 -8.923 -12.070 1.00 24.32 H new ATOM 0 HD12 LEU A 25 -5.008 -8.491 -10.540 1.00 24.32 H new ATOM 0 HD13 LEU A 25 -4.272 -9.701 -11.618 1.00 24.32 H new ATOM 0 HD21 LEU A 25 -6.921 -11.110 -12.323 1.00 72.54 H new ATOM 0 HD22 LEU A 25 -5.430 -11.976 -11.880 1.00 72.54 H new ATOM 0 HD23 LEU A 25 -6.934 -12.274 -10.977 1.00 72.54 H new ATOM 440 N LEU A 26 -4.132 -12.712 -6.931 1.00 41.44 N ATOM 441 CA LEU A 26 -3.097 -13.558 -6.349 1.00 33.15 C ATOM 442 C LEU A 26 -3.577 -15.000 -6.225 1.00 51.31 C ATOM 443 O LEU A 26 -2.863 -15.935 -6.584 1.00 44.30 O ATOM 444 CB LEU A 26 -2.687 -13.025 -4.975 1.00 54.20 C ATOM 445 CG LEU A 26 -1.430 -12.155 -4.941 1.00 54.01 C ATOM 446 CD1 LEU A 26 -1.441 -11.249 -3.719 1.00 51.52 C ATOM 447 CD2 LEU A 26 -0.180 -13.023 -4.950 1.00 35.05 C ATOM 0 H LEU A 26 -4.322 -11.858 -6.407 1.00 41.44 H new ATOM 0 HA LEU A 26 -2.232 -13.539 -7.012 1.00 33.15 H new ATOM 0 HB2 LEU A 26 -3.517 -12.446 -4.570 1.00 54.20 H new ATOM 0 HB3 LEU A 26 -2.535 -13.874 -4.308 1.00 54.20 H new ATOM 0 HG LEU A 26 -1.421 -11.529 -5.833 1.00 54.01 H new ATOM 0 HD11 LEU A 26 -0.539 -10.637 -3.711 1.00 51.52 H new ATOM 0 HD12 LEU A 26 -2.318 -10.602 -3.753 1.00 51.52 H new ATOM 0 HD13 LEU A 26 -1.474 -11.857 -2.815 1.00 51.52 H new ATOM 0 HD21 LEU A 26 0.705 -12.387 -4.926 1.00 35.05 H new ATOM 0 HD22 LEU A 26 -0.183 -13.674 -4.076 1.00 35.05 H new ATOM 0 HD23 LEU A 26 -0.165 -13.630 -5.855 1.00 35.05 H new ATOM 459 N GLU A 27 -4.794 -15.172 -5.716 1.00 12.01 N ATOM 460 CA GLU A 27 -5.370 -16.500 -5.546 1.00 23.32 C ATOM 461 C GLU A 27 -6.121 -16.931 -6.803 1.00 64.54 C ATOM 462 O GLU A 27 -6.491 -18.096 -6.948 1.00 64.30 O ATOM 463 CB GLU A 27 -6.313 -16.521 -4.342 1.00 2.24 C ATOM 464 CG GLU A 27 -6.756 -17.918 -3.941 1.00 73.34 C ATOM 465 CD GLU A 27 -5.590 -18.822 -3.591 1.00 12.43 C ATOM 466 OE1 GLU A 27 -5.574 -19.978 -4.063 1.00 63.24 O ATOM 467 OE2 GLU A 27 -4.693 -18.373 -2.846 1.00 5.02 O ATOM 0 H GLU A 27 -5.399 -14.408 -5.415 1.00 12.01 H new ATOM 0 HA GLU A 27 -4.555 -17.203 -5.371 1.00 23.32 H new ATOM 0 HB2 GLU A 27 -5.817 -16.049 -3.494 1.00 2.24 H new ATOM 0 HB3 GLU A 27 -7.194 -15.921 -4.570 1.00 2.24 H new ATOM 0 HG2 GLU A 27 -7.428 -17.850 -3.085 1.00 73.34 H new ATOM 0 HG3 GLU A 27 -7.324 -18.363 -4.758 1.00 73.34 H new ATOM 475 N GLY A 28 -6.342 -15.983 -7.707 1.00 4.35 N ATOM 476 CA GLY A 28 -7.049 -16.285 -8.940 1.00 52.05 C ATOM 477 C GLY A 28 -8.497 -16.663 -8.700 1.00 70.01 C ATOM 478 O GLY A 28 -9.125 -17.305 -9.540 1.00 4.14 O ATOM 0 H GLY A 28 -6.045 -15.012 -7.609 1.00 4.35 H new ATOM 0 HA2 GLY A 28 -7.007 -15.419 -9.601 1.00 52.05 H new ATOM 0 HA3 GLY A 28 -6.544 -17.103 -9.454 1.00 52.05 H new ATOM 482 N GLY A 29 -9.029 -16.267 -7.547 1.00 75.52 N ATOM 483 CA GLY A 29 -10.407 -16.579 -7.219 1.00 13.13 C ATOM 484 C GLY A 29 -11.143 -15.397 -6.622 1.00 12.22 C ATOM 485 O GLY A 29 -12.199 -15.001 -7.115 1.00 55.35 O ATOM 0 H GLY A 29 -8.529 -15.735 -6.834 1.00 75.52 H new ATOM 0 HA2 GLY A 29 -10.926 -16.909 -8.119 1.00 13.13 H new ATOM 0 HA3 GLY A 29 -10.430 -17.411 -6.515 1.00 13.13 H new ATOM 489 N GLY A 30 -10.587 -14.830 -5.556 1.00 30.53 N ATOM 490 CA GLY A 30 -11.212 -13.693 -4.908 1.00 33.13 C ATOM 491 C GLY A 30 -11.243 -13.830 -3.398 1.00 35.04 C ATOM 492 O GLY A 30 -12.114 -14.499 -2.846 1.00 11.42 O ATOM 0 H GLY A 30 -9.713 -15.139 -5.129 1.00 30.53 H new ATOM 0 HA2 GLY A 30 -10.673 -12.784 -5.176 1.00 33.13 H new ATOM 0 HA3 GLY A 30 -12.230 -13.581 -5.280 1.00 33.13 H new ATOM 496 N GLY A 31 -10.286 -13.194 -2.728 1.00 21.22 N ATOM 497 CA GLY A 31 -10.223 -13.264 -1.280 1.00 54.33 C ATOM 498 C GLY A 31 -8.850 -13.661 -0.777 1.00 41.34 C ATOM 499 O GLY A 31 -8.481 -13.348 0.354 1.00 63.22 O ATOM 0 H GLY A 31 -9.554 -12.632 -3.162 1.00 21.22 H new ATOM 0 HA2 GLY A 31 -10.494 -12.295 -0.861 1.00 54.33 H new ATOM 0 HA3 GLY A 31 -10.959 -13.983 -0.922 1.00 54.33 H new ATOM 503 N GLY A 32 -8.091 -14.355 -1.619 1.00 73.51 N ATOM 504 CA GLY A 32 -6.760 -14.787 -1.234 1.00 0.14 C ATOM 505 C GLY A 32 -6.729 -16.232 -0.778 1.00 23.43 C ATOM 506 O GLY A 32 -7.753 -16.914 -0.780 1.00 13.10 O ATOM 0 H GLY A 32 -8.374 -14.626 -2.561 1.00 73.51 H new ATOM 0 HA2 GLY A 32 -6.082 -14.661 -2.078 1.00 0.14 H new ATOM 0 HA3 GLY A 32 -6.392 -14.148 -0.431 1.00 0.14 H new ATOM 510 N GLY A 33 -5.548 -16.703 -0.387 1.00 51.01 N ATOM 511 CA GLY A 33 -5.408 -18.074 0.066 1.00 42.13 C ATOM 512 C GLY A 33 -6.085 -18.314 1.401 1.00 50.02 C ATOM 513 O GLY A 33 -6.442 -19.445 1.730 1.00 10.44 O ATOM 0 H GLY A 33 -4.686 -16.158 -0.376 1.00 51.01 H new ATOM 0 HA2 GLY A 33 -5.834 -18.745 -0.680 1.00 42.13 H new ATOM 0 HA3 GLY A 33 -4.349 -18.320 0.149 1.00 42.13 H new ATOM 517 N GLY A 34 -6.260 -17.247 2.176 1.00 2.14 N ATOM 518 CA GLY A 34 -6.895 -17.370 3.474 1.00 50.34 C ATOM 519 C GLY A 34 -5.998 -18.037 4.498 1.00 44.14 C ATOM 520 O GLY A 34 -6.162 -19.218 4.801 1.00 24.04 O ATOM 0 H GLY A 34 -5.973 -16.300 1.927 1.00 2.14 H new ATOM 0 HA2 GLY A 34 -7.177 -16.380 3.832 1.00 50.34 H new ATOM 0 HA3 GLY A 34 -7.815 -17.946 3.372 1.00 50.34 H new ATOM 524 N GLY A 35 -5.046 -17.279 5.032 1.00 32.34 N ATOM 525 CA GLY A 35 -4.132 -17.822 6.020 1.00 51.04 C ATOM 526 C GLY A 35 -3.124 -16.798 6.503 1.00 2.15 C ATOM 527 O GLY A 35 -3.372 -15.594 6.434 1.00 64.41 O ATOM 0 H GLY A 35 -4.891 -16.298 4.798 1.00 32.34 H new ATOM 0 HA2 GLY A 35 -4.702 -18.196 6.871 1.00 51.04 H new ATOM 0 HA3 GLY A 35 -3.603 -18.674 5.592 1.00 51.04 H new ATOM 531 N GLU A 36 -1.985 -17.277 6.993 1.00 52.24 N ATOM 532 CA GLU A 36 -0.938 -16.393 7.491 1.00 72.23 C ATOM 533 C GLU A 36 -0.330 -15.575 6.356 1.00 3.53 C ATOM 534 O GLU A 36 -0.262 -14.348 6.427 1.00 33.24 O ATOM 535 CB GLU A 36 0.155 -17.205 8.192 1.00 53.44 C ATOM 536 CG GLU A 36 -0.386 -18.275 9.123 1.00 65.12 C ATOM 537 CD GLU A 36 0.598 -18.651 10.215 1.00 30.54 C ATOM 538 OE1 GLU A 36 1.207 -19.737 10.115 1.00 63.13 O ATOM 539 OE2 GLU A 36 0.760 -17.859 11.166 1.00 64.10 O ATOM 0 H GLU A 36 -1.764 -18.271 7.056 1.00 52.24 H new ATOM 0 HA GLU A 36 -1.388 -15.707 8.208 1.00 72.23 H new ATOM 0 HB2 GLU A 36 0.786 -17.676 7.438 1.00 53.44 H new ATOM 0 HB3 GLU A 36 0.791 -16.527 8.762 1.00 53.44 H new ATOM 0 HG2 GLU A 36 -1.311 -17.921 9.579 1.00 65.12 H new ATOM 0 HG3 GLU A 36 -0.636 -19.163 8.543 1.00 65.12 H new ATOM 547 N LEU A 37 0.110 -16.264 5.308 1.00 61.51 N ATOM 548 CA LEU A 37 0.713 -15.603 4.156 1.00 75.30 C ATOM 549 C LEU A 37 -0.196 -14.500 3.624 1.00 64.03 C ATOM 550 O LEU A 37 0.220 -13.348 3.495 1.00 43.03 O ATOM 551 CB LEU A 37 0.999 -16.621 3.051 1.00 65.14 C ATOM 552 CG LEU A 37 1.274 -16.044 1.662 1.00 65.14 C ATOM 553 CD1 LEU A 37 2.555 -16.628 1.086 1.00 51.21 C ATOM 554 CD2 LEU A 37 0.099 -16.311 0.732 1.00 33.31 C ATOM 0 H LEU A 37 0.060 -17.280 5.233 1.00 61.51 H new ATOM 0 HA LEU A 37 1.652 -15.152 4.477 1.00 75.30 H new ATOM 0 HB2 LEU A 37 1.859 -17.220 3.350 1.00 65.14 H new ATOM 0 HB3 LEU A 37 0.148 -17.298 2.979 1.00 65.14 H new ATOM 0 HG LEU A 37 1.400 -14.965 1.756 1.00 65.14 H new ATOM 0 HD11 LEU A 37 2.735 -16.206 0.097 1.00 51.21 H new ATOM 0 HD12 LEU A 37 3.392 -16.386 1.741 1.00 51.21 H new ATOM 0 HD13 LEU A 37 2.458 -17.711 1.006 1.00 51.21 H new ATOM 0 HD21 LEU A 37 0.312 -15.894 -0.252 1.00 33.31 H new ATOM 0 HD22 LEU A 37 -0.058 -17.386 0.644 1.00 33.31 H new ATOM 0 HD23 LEU A 37 -0.799 -15.845 1.137 1.00 33.31 H new ATOM 566 N MET A 38 -1.438 -14.860 3.319 1.00 12.10 N ATOM 567 CA MET A 38 -2.407 -13.899 2.804 1.00 11.40 C ATOM 568 C MET A 38 -2.620 -12.758 3.794 1.00 62.33 C ATOM 569 O MET A 38 -2.892 -11.623 3.402 1.00 33.05 O ATOM 570 CB MET A 38 -3.739 -14.592 2.512 1.00 43.42 C ATOM 571 CG MET A 38 -4.802 -13.657 1.958 1.00 61.45 C ATOM 572 SD MET A 38 -6.380 -13.814 2.817 1.00 52.15 S ATOM 573 CE MET A 38 -5.887 -13.449 4.501 1.00 24.34 C ATOM 0 H MET A 38 -1.797 -15.809 3.419 1.00 12.10 H new ATOM 0 HA MET A 38 -2.012 -13.483 1.877 1.00 11.40 H new ATOM 0 HB2 MET A 38 -3.570 -15.400 1.800 1.00 43.42 H new ATOM 0 HB3 MET A 38 -4.111 -15.048 3.429 1.00 43.42 H new ATOM 0 HG2 MET A 38 -4.451 -12.628 2.035 1.00 61.45 H new ATOM 0 HG3 MET A 38 -4.947 -13.865 0.898 1.00 61.45 H new ATOM 0 HE1 MET A 38 -6.774 -13.349 5.126 1.00 24.34 H new ATOM 0 HE2 MET A 38 -5.265 -14.259 4.882 1.00 24.34 H new ATOM 0 HE3 MET A 38 -5.322 -12.517 4.521 1.00 24.34 H new ATOM 583 N LYS A 39 -2.496 -13.067 5.081 1.00 1.23 N ATOM 584 CA LYS A 39 -2.675 -12.069 6.128 1.00 75.12 C ATOM 585 C LYS A 39 -1.772 -10.862 5.890 1.00 24.04 C ATOM 586 O LYS A 39 -2.106 -9.739 6.269 1.00 30.03 O ATOM 587 CB LYS A 39 -2.376 -12.678 7.500 1.00 32.21 C ATOM 588 CG LYS A 39 -3.366 -12.270 8.576 1.00 4.44 C ATOM 589 CD LYS A 39 -3.984 -13.482 9.253 1.00 52.24 C ATOM 590 CE LYS A 39 -4.579 -13.121 10.606 1.00 42.40 C ATOM 591 NZ LYS A 39 -4.369 -14.201 11.610 1.00 55.15 N ATOM 0 H LYS A 39 -2.272 -14.001 5.423 1.00 1.23 H new ATOM 0 HA LYS A 39 -3.713 -11.736 6.103 1.00 75.12 H new ATOM 0 HB2 LYS A 39 -2.374 -13.765 7.413 1.00 32.21 H new ATOM 0 HB3 LYS A 39 -1.374 -12.381 7.809 1.00 32.21 H new ATOM 0 HG2 LYS A 39 -2.862 -11.654 9.321 1.00 4.44 H new ATOM 0 HG3 LYS A 39 -4.153 -11.658 8.135 1.00 4.44 H new ATOM 0 HD2 LYS A 39 -4.760 -13.901 8.613 1.00 52.24 H new ATOM 0 HD3 LYS A 39 -3.226 -14.254 9.382 1.00 52.24 H new ATOM 0 HE2 LYS A 39 -4.127 -12.197 10.967 1.00 42.40 H new ATOM 0 HE3 LYS A 39 -5.647 -12.931 10.494 1.00 42.40 H new ATOM 0 HZ1 LYS A 39 -4.789 -13.917 12.518 1.00 55.15 H new ATOM 0 HZ2 LYS A 39 -4.822 -15.076 11.278 1.00 55.15 H new ATOM 0 HZ3 LYS A 39 -3.350 -14.365 11.736 1.00 55.15 H new ATOM 605 N LEU A 40 -0.628 -11.102 5.257 1.00 74.05 N ATOM 606 CA LEU A 40 0.322 -10.034 4.967 1.00 32.32 C ATOM 607 C LEU A 40 -0.209 -9.114 3.871 1.00 24.13 C ATOM 608 O LEU A 40 0.044 -7.910 3.882 1.00 11.23 O ATOM 609 CB LEU A 40 1.669 -10.624 4.544 1.00 32.15 C ATOM 610 CG LEU A 40 2.546 -11.172 5.671 1.00 43.11 C ATOM 611 CD1 LEU A 40 3.766 -11.879 5.103 1.00 2.15 C ATOM 612 CD2 LEU A 40 2.965 -10.052 6.612 1.00 33.42 C ATOM 0 H LEU A 40 -0.337 -12.025 4.936 1.00 74.05 H new ATOM 0 HA LEU A 40 0.458 -9.446 5.875 1.00 32.32 H new ATOM 0 HB2 LEU A 40 1.483 -11.428 3.832 1.00 32.15 H new ATOM 0 HB3 LEU A 40 2.231 -9.854 4.016 1.00 32.15 H new ATOM 0 HG LEU A 40 1.964 -11.898 6.239 1.00 43.11 H new ATOM 0 HD11 LEU A 40 4.378 -12.262 5.920 1.00 2.15 H new ATOM 0 HD12 LEU A 40 3.445 -12.707 4.471 1.00 2.15 H new ATOM 0 HD13 LEU A 40 4.351 -11.176 4.510 1.00 2.15 H new ATOM 0 HD21 LEU A 40 3.588 -10.460 7.408 1.00 33.42 H new ATOM 0 HD22 LEU A 40 3.529 -9.302 6.057 1.00 33.42 H new ATOM 0 HD23 LEU A 40 2.078 -9.591 7.046 1.00 33.42 H new ATOM 624 N CYS A 41 -0.948 -9.691 2.930 1.00 31.10 N ATOM 625 CA CYS A 41 -1.517 -8.924 1.828 1.00 2.03 C ATOM 626 C CYS A 41 -2.706 -8.095 2.300 1.00 12.43 C ATOM 627 O CYS A 41 -2.966 -7.012 1.776 1.00 53.31 O ATOM 628 CB CYS A 41 -1.949 -9.859 0.698 1.00 13.23 C ATOM 629 SG CYS A 41 -0.689 -11.062 0.213 1.00 4.01 S ATOM 0 H CYS A 41 -1.167 -10.687 2.908 1.00 31.10 H new ATOM 0 HA CYS A 41 -0.749 -8.246 1.455 1.00 2.03 H new ATOM 0 HB2 CYS A 41 -2.847 -10.394 1.007 1.00 13.23 H new ATOM 0 HB3 CYS A 41 -2.218 -9.260 -0.172 1.00 13.23 H new ATOM 0 HG CYS A 41 -1.213 -11.939 -0.591 1.00 4.01 H new ATOM 635 N GLU A 42 -3.425 -8.611 3.292 1.00 30.24 N ATOM 636 CA GLU A 42 -4.588 -7.919 3.832 1.00 54.44 C ATOM 637 C GLU A 42 -4.166 -6.691 4.636 1.00 13.54 C ATOM 638 O GLU A 42 -4.927 -5.732 4.767 1.00 62.52 O ATOM 639 CB GLU A 42 -5.408 -8.862 4.715 1.00 21.23 C ATOM 640 CG GLU A 42 -6.684 -8.238 5.254 1.00 13.20 C ATOM 641 CD GLU A 42 -7.374 -9.115 6.279 1.00 41.34 C ATOM 642 OE1 GLU A 42 -8.362 -9.788 5.915 1.00 10.12 O ATOM 643 OE2 GLU A 42 -6.929 -9.130 7.446 1.00 52.42 O ATOM 0 H GLU A 42 -3.222 -9.506 3.738 1.00 30.24 H new ATOM 0 HA GLU A 42 -5.204 -7.591 2.994 1.00 54.44 H new ATOM 0 HB2 GLU A 42 -5.664 -9.753 4.141 1.00 21.23 H new ATOM 0 HB3 GLU A 42 -4.792 -9.189 5.553 1.00 21.23 H new ATOM 0 HG2 GLU A 42 -6.450 -7.274 5.705 1.00 13.20 H new ATOM 0 HG3 GLU A 42 -7.367 -8.046 4.427 1.00 13.20 H new ATOM 651 N GLU A 43 -2.950 -6.730 5.169 1.00 70.42 N ATOM 652 CA GLU A 43 -2.428 -5.622 5.960 1.00 61.52 C ATOM 653 C GLU A 43 -2.490 -4.315 5.175 1.00 23.22 C ATOM 654 O GLU A 43 -2.656 -3.241 5.750 1.00 13.10 O ATOM 655 CB GLU A 43 -0.985 -5.906 6.387 1.00 43.32 C ATOM 656 CG GLU A 43 -0.856 -7.059 7.368 1.00 1.34 C ATOM 657 CD GLU A 43 -0.396 -6.609 8.740 1.00 64.43 C ATOM 658 OE1 GLU A 43 -0.911 -5.583 9.232 1.00 13.54 O ATOM 659 OE2 GLU A 43 0.479 -7.283 9.323 1.00 15.04 O ATOM 0 H GLU A 43 -2.308 -7.516 5.068 1.00 70.42 H new ATOM 0 HA GLU A 43 -3.050 -5.520 6.850 1.00 61.52 H new ATOM 0 HB2 GLU A 43 -0.389 -6.126 5.501 1.00 43.32 H new ATOM 0 HB3 GLU A 43 -0.565 -5.007 6.839 1.00 43.32 H new ATOM 0 HG2 GLU A 43 -1.818 -7.563 7.459 1.00 1.34 H new ATOM 0 HG3 GLU A 43 -0.149 -7.789 6.974 1.00 1.34 H new ATOM 667 N ALA A 44 -2.354 -4.417 3.857 1.00 23.53 N ATOM 668 CA ALA A 44 -2.396 -3.246 2.991 1.00 14.34 C ATOM 669 C ALA A 44 -3.640 -2.407 3.262 1.00 74.45 C ATOM 670 O ALA A 44 -3.573 -1.179 3.316 1.00 10.15 O ATOM 671 CB ALA A 44 -2.349 -3.666 1.530 1.00 5.25 C ATOM 0 H ALA A 44 -2.214 -5.300 3.366 1.00 23.53 H new ATOM 0 HA ALA A 44 -1.521 -2.633 3.209 1.00 14.34 H new ATOM 0 HB1 ALA A 44 -2.381 -2.780 0.896 1.00 5.25 H new ATOM 0 HB2 ALA A 44 -1.427 -4.216 1.339 1.00 5.25 H new ATOM 0 HB3 ALA A 44 -3.205 -4.303 1.307 1.00 5.25 H new ATOM 677 N ALA A 45 -4.775 -3.078 3.434 1.00 13.25 N ATOM 678 CA ALA A 45 -6.033 -2.393 3.701 1.00 24.13 C ATOM 679 C ALA A 45 -6.088 -1.887 5.138 1.00 0.52 C ATOM 680 O ALA A 45 -6.829 -0.954 5.450 1.00 54.14 O ATOM 681 CB ALA A 45 -7.207 -3.320 3.421 1.00 11.21 C ATOM 0 H ALA A 45 -4.848 -4.095 3.393 1.00 13.25 H new ATOM 0 HA ALA A 45 -6.097 -1.531 3.037 1.00 24.13 H new ATOM 0 HB1 ALA A 45 -8.141 -2.796 3.624 1.00 11.21 H new ATOM 0 HB2 ALA A 45 -7.185 -3.630 2.376 1.00 11.21 H new ATOM 0 HB3 ALA A 45 -7.137 -4.199 4.062 1.00 11.21 H new ATOM 687 N LYS A 46 -5.301 -2.507 6.009 1.00 64.44 N ATOM 688 CA LYS A 46 -5.258 -2.120 7.415 1.00 43.51 C ATOM 689 C LYS A 46 -4.529 -0.793 7.591 1.00 75.43 C ATOM 690 O LYS A 46 -5.013 0.108 8.278 1.00 15.22 O ATOM 691 CB LYS A 46 -4.570 -3.206 8.244 1.00 44.34 C ATOM 692 CG LYS A 46 -5.426 -3.736 9.382 1.00 53.14 C ATOM 693 CD LYS A 46 -5.691 -2.662 10.426 1.00 2.14 C ATOM 694 CE LYS A 46 -7.179 -2.512 10.705 1.00 72.53 C ATOM 695 NZ LYS A 46 -7.453 -2.295 12.153 1.00 33.31 N ATOM 0 H LYS A 46 -4.683 -3.281 5.766 1.00 64.44 H new ATOM 0 HA LYS A 46 -6.283 -2.001 7.765 1.00 43.51 H new ATOM 0 HB2 LYS A 46 -4.298 -4.034 7.589 1.00 44.34 H new ATOM 0 HB3 LYS A 46 -3.643 -2.806 8.654 1.00 44.34 H new ATOM 0 HG2 LYS A 46 -6.373 -4.102 8.986 1.00 53.14 H new ATOM 0 HG3 LYS A 46 -4.927 -4.585 9.850 1.00 53.14 H new ATOM 0 HD2 LYS A 46 -5.170 -2.914 11.350 1.00 2.14 H new ATOM 0 HD3 LYS A 46 -5.286 -1.710 10.082 1.00 2.14 H new ATOM 0 HE2 LYS A 46 -7.573 -1.673 10.131 1.00 72.53 H new ATOM 0 HE3 LYS A 46 -7.704 -3.405 10.366 1.00 72.53 H new ATOM 0 HZ1 LYS A 46 -8.478 -2.198 12.302 1.00 33.31 H new ATOM 0 HZ2 LYS A 46 -7.100 -3.107 12.699 1.00 33.31 H new ATOM 0 HZ3 LYS A 46 -6.973 -1.429 12.471 1.00 33.31 H new ATOM 709 N LYS A 47 -3.363 -0.676 6.966 1.00 32.35 N ATOM 710 CA LYS A 47 -2.566 0.542 7.052 1.00 12.35 C ATOM 711 C LYS A 47 -3.182 1.655 6.209 1.00 45.04 C ATOM 712 O LYS A 47 -3.348 2.781 6.678 1.00 33.21 O ATOM 713 CB LYS A 47 -1.133 0.272 6.588 1.00 14.53 C ATOM 714 CG LYS A 47 -0.091 0.497 7.670 1.00 15.45 C ATOM 715 CD LYS A 47 0.211 1.975 7.855 1.00 43.43 C ATOM 716 CE LYS A 47 -0.660 2.590 8.941 1.00 10.03 C ATOM 717 NZ LYS A 47 0.151 3.311 9.960 1.00 20.45 N ATOM 0 H LYS A 47 -2.948 -1.411 6.393 1.00 32.35 H new ATOM 0 HA LYS A 47 -2.550 0.864 8.093 1.00 12.35 H new ATOM 0 HB2 LYS A 47 -1.062 -0.757 6.235 1.00 14.53 H new ATOM 0 HB3 LYS A 47 -0.908 0.917 5.738 1.00 14.53 H new ATOM 0 HG2 LYS A 47 -0.446 0.077 8.611 1.00 15.45 H new ATOM 0 HG3 LYS A 47 0.825 -0.033 7.410 1.00 15.45 H new ATOM 0 HD2 LYS A 47 1.262 2.103 8.114 1.00 43.43 H new ATOM 0 HD3 LYS A 47 0.048 2.501 6.915 1.00 43.43 H new ATOM 0 HE2 LYS A 47 -1.372 3.280 8.488 1.00 10.03 H new ATOM 0 HE3 LYS A 47 -1.241 1.807 9.427 1.00 10.03 H new ATOM 0 HZ1 LYS A 47 -0.481 3.758 10.654 1.00 20.45 H new ATOM 0 HZ2 LYS A 47 0.777 2.637 10.446 1.00 20.45 H new ATOM 0 HZ3 LYS A 47 0.725 4.042 9.493 1.00 20.45 H new ATOM 731 N ALA A 48 -3.523 1.331 4.967 1.00 13.15 N ATOM 732 CA ALA A 48 -4.124 2.303 4.061 1.00 53.53 C ATOM 733 C ALA A 48 -5.332 2.977 4.704 1.00 3.44 C ATOM 734 O ALA A 48 -5.449 4.201 4.694 1.00 53.22 O ATOM 735 CB ALA A 48 -4.524 1.632 2.756 1.00 1.00 C ATOM 0 H ALA A 48 -3.394 0.403 4.564 1.00 13.15 H new ATOM 0 HA ALA A 48 -3.382 3.072 3.848 1.00 53.53 H new ATOM 0 HB1 ALA A 48 -4.971 2.370 2.090 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -3.641 1.203 2.282 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -5.247 0.842 2.960 1.00 1.00 H new ATOM 741 N GLU A 49 -6.229 2.168 5.260 1.00 50.14 N ATOM 742 CA GLU A 49 -7.429 2.687 5.906 1.00 12.23 C ATOM 743 C GLU A 49 -7.069 3.712 6.979 1.00 3.42 C ATOM 744 O GLU A 49 -7.812 4.664 7.215 1.00 14.34 O ATOM 745 CB GLU A 49 -8.236 1.545 6.526 1.00 53.31 C ATOM 746 CG GLU A 49 -9.522 2.002 7.195 1.00 5.55 C ATOM 747 CD GLU A 49 -10.506 2.609 6.213 1.00 51.33 C ATOM 748 OE1 GLU A 49 -10.276 2.488 4.991 1.00 4.01 O ATOM 749 OE2 GLU A 49 -11.505 3.206 6.666 1.00 32.42 O ATOM 0 H GLU A 49 -6.147 1.151 5.276 1.00 50.14 H new ATOM 0 HA GLU A 49 -8.036 3.180 5.146 1.00 12.23 H new ATOM 0 HB2 GLU A 49 -8.478 0.819 5.750 1.00 53.31 H new ATOM 0 HB3 GLU A 49 -7.617 1.031 7.261 1.00 53.31 H new ATOM 0 HG2 GLU A 49 -9.989 1.153 7.694 1.00 5.55 H new ATOM 0 HG3 GLU A 49 -9.285 2.735 7.967 1.00 5.55 H new ATOM 757 N GLU A 50 -5.927 3.506 7.625 1.00 31.41 N ATOM 758 CA GLU A 50 -5.470 4.411 8.674 1.00 25.14 C ATOM 759 C GLU A 50 -5.041 5.753 8.086 1.00 24.21 C ATOM 760 O GLU A 50 -5.088 6.782 8.761 1.00 63.12 O ATOM 761 CB GLU A 50 -4.306 3.786 9.447 1.00 45.22 C ATOM 762 CG GLU A 50 -4.606 3.561 10.920 1.00 21.44 C ATOM 763 CD GLU A 50 -3.623 4.272 11.829 1.00 23.32 C ATOM 764 OE1 GLU A 50 -2.420 4.304 11.492 1.00 71.34 O ATOM 765 OE2 GLU A 50 -4.055 4.795 12.877 1.00 12.44 O ATOM 0 H GLU A 50 -5.301 2.722 7.442 1.00 31.41 H new ATOM 0 HA GLU A 50 -6.301 4.582 9.358 1.00 25.14 H new ATOM 0 HB2 GLU A 50 -4.046 2.832 8.988 1.00 45.22 H new ATOM 0 HB3 GLU A 50 -3.432 4.432 9.357 1.00 45.22 H new ATOM 0 HG2 GLU A 50 -5.615 3.909 11.139 1.00 21.44 H new ATOM 0 HG3 GLU A 50 -4.584 2.492 11.133 1.00 21.44 H new ATOM 773 N LEU A 51 -4.624 5.734 6.826 1.00 3.53 N ATOM 774 CA LEU A 51 -4.187 6.947 6.145 1.00 72.14 C ATOM 775 C LEU A 51 -5.372 7.858 5.841 1.00 12.11 C ATOM 776 O LEU A 51 -5.324 9.062 6.090 1.00 74.12 O ATOM 777 CB LEU A 51 -3.454 6.594 4.851 1.00 13.35 C ATOM 778 CG LEU A 51 -2.501 5.400 4.922 1.00 55.35 C ATOM 779 CD1 LEU A 51 -1.862 5.145 3.567 1.00 13.44 C ATOM 780 CD2 LEU A 51 -1.434 5.633 5.981 1.00 72.14 C ATOM 0 H LEU A 51 -4.579 4.891 6.254 1.00 3.53 H new ATOM 0 HA LEU A 51 -3.504 7.479 6.807 1.00 72.14 H new ATOM 0 HB2 LEU A 51 -4.197 6.394 4.079 1.00 13.35 H new ATOM 0 HB3 LEU A 51 -2.887 7.467 4.529 1.00 13.35 H new ATOM 0 HG LEU A 51 -3.076 4.517 5.201 1.00 55.35 H new ATOM 0 HD11 LEU A 51 -1.187 4.292 3.638 1.00 13.44 H new ATOM 0 HD12 LEU A 51 -2.639 4.933 2.832 1.00 13.44 H new ATOM 0 HD13 LEU A 51 -1.301 6.027 3.258 1.00 13.44 H new ATOM 0 HD21 LEU A 51 -0.764 4.774 6.018 1.00 72.14 H new ATOM 0 HD22 LEU A 51 -0.863 6.527 5.732 1.00 72.14 H new ATOM 0 HD23 LEU A 51 -1.909 5.765 6.953 1.00 72.14 H new ATOM 792 N PHE A 52 -6.437 7.274 5.300 1.00 24.40 N ATOM 793 CA PHE A 52 -7.636 8.032 4.962 1.00 72.42 C ATOM 794 C PHE A 52 -8.185 8.754 6.188 1.00 52.35 C ATOM 795 O PHE A 52 -8.889 9.759 6.069 1.00 70.41 O ATOM 796 CB PHE A 52 -8.704 7.104 4.382 1.00 5.13 C ATOM 797 CG PHE A 52 -10.030 7.777 4.166 1.00 2.15 C ATOM 798 CD1 PHE A 52 -10.982 7.798 5.171 1.00 54.24 C ATOM 799 CD2 PHE A 52 -10.323 8.389 2.958 1.00 71.22 C ATOM 800 CE1 PHE A 52 -12.203 8.416 4.976 1.00 10.13 C ATOM 801 CE2 PHE A 52 -11.541 9.010 2.756 1.00 63.53 C ATOM 802 CZ PHE A 52 -12.482 9.024 3.767 1.00 2.33 C ATOM 0 H PHE A 52 -6.494 6.278 5.086 1.00 24.40 H new ATOM 0 HA PHE A 52 -7.367 8.777 4.213 1.00 72.42 H new ATOM 0 HB2 PHE A 52 -8.349 6.704 3.432 1.00 5.13 H new ATOM 0 HB3 PHE A 52 -8.841 6.256 5.053 1.00 5.13 H new ATOM 0 HD1 PHE A 52 -10.768 7.326 6.119 1.00 54.24 H new ATOM 0 HD2 PHE A 52 -9.591 8.381 2.164 1.00 71.22 H new ATOM 0 HE1 PHE A 52 -12.938 8.424 5.767 1.00 10.13 H new ATOM 0 HE2 PHE A 52 -11.757 9.483 1.810 1.00 63.53 H new ATOM 0 HZ PHE A 52 -13.434 9.509 3.613 1.00 2.33 H new ATOM 812 N LYS A 53 -7.861 8.237 7.369 1.00 1.31 N ATOM 813 CA LYS A 53 -8.321 8.831 8.618 1.00 52.40 C ATOM 814 C LYS A 53 -7.999 10.322 8.663 1.00 3.44 C ATOM 815 O LYS A 53 -8.876 11.150 8.913 1.00 21.32 O ATOM 816 CB LYS A 53 -7.675 8.123 9.811 1.00 40.12 C ATOM 817 CG LYS A 53 -8.648 7.817 10.936 1.00 64.23 C ATOM 818 CD LYS A 53 -9.324 6.470 10.739 1.00 11.33 C ATOM 819 CE LYS A 53 -9.225 5.608 11.988 1.00 33.44 C ATOM 820 NZ LYS A 53 -10.341 5.876 12.937 1.00 35.01 N ATOM 0 H LYS A 53 -7.281 7.407 7.487 1.00 1.31 H new ATOM 0 HA LYS A 53 -9.403 8.709 8.673 1.00 52.40 H new ATOM 0 HB2 LYS A 53 -7.223 7.192 9.469 1.00 40.12 H new ATOM 0 HB3 LYS A 53 -6.868 8.745 10.199 1.00 40.12 H new ATOM 0 HG2 LYS A 53 -8.118 7.823 11.888 1.00 64.23 H new ATOM 0 HG3 LYS A 53 -9.404 8.600 10.987 1.00 64.23 H new ATOM 0 HD2 LYS A 53 -10.373 6.622 10.483 1.00 11.33 H new ATOM 0 HD3 LYS A 53 -8.863 5.950 9.899 1.00 11.33 H new ATOM 0 HE2 LYS A 53 -9.234 4.556 11.705 1.00 33.44 H new ATOM 0 HE3 LYS A 53 -8.273 5.796 12.484 1.00 33.44 H new ATOM 0 HZ1 LYS A 53 -10.237 5.269 13.775 1.00 35.01 H new ATOM 0 HZ2 LYS A 53 -10.317 6.874 13.228 1.00 35.01 H new ATOM 0 HZ3 LYS A 53 -11.249 5.672 12.472 1.00 35.01 H new ATOM 834 N LEU A 54 -6.737 10.657 8.417 1.00 11.13 N ATOM 835 CA LEU A 54 -6.300 12.049 8.428 1.00 31.11 C ATOM 836 C LEU A 54 -7.050 12.863 7.378 1.00 54.35 C ATOM 837 O LEU A 54 -7.379 14.028 7.601 1.00 70.51 O ATOM 838 CB LEU A 54 -4.794 12.132 8.173 1.00 73.12 C ATOM 839 CG LEU A 54 -3.900 12.085 9.414 1.00 25.15 C ATOM 840 CD1 LEU A 54 -4.179 13.274 10.319 1.00 22.13 C ATOM 841 CD2 LEU A 54 -4.104 10.779 10.168 1.00 22.12 C ATOM 0 H LEU A 54 -5.999 9.985 8.208 1.00 11.13 H new ATOM 0 HA LEU A 54 -6.520 12.466 9.411 1.00 31.11 H new ATOM 0 HB2 LEU A 54 -4.511 11.311 7.515 1.00 73.12 H new ATOM 0 HB3 LEU A 54 -4.587 13.057 7.635 1.00 73.12 H new ATOM 0 HG LEU A 54 -2.860 12.137 9.091 1.00 25.15 H new ATOM 0 HD11 LEU A 54 -3.534 13.223 11.196 1.00 22.13 H new ATOM 0 HD12 LEU A 54 -3.981 14.198 9.776 1.00 22.13 H new ATOM 0 HD13 LEU A 54 -5.222 13.254 10.634 1.00 22.13 H new ATOM 0 HD21 LEU A 54 -3.461 10.762 11.048 1.00 22.12 H new ATOM 0 HD22 LEU A 54 -5.146 10.697 10.479 1.00 22.12 H new ATOM 0 HD23 LEU A 54 -3.852 9.941 9.518 1.00 22.12 H new ATOM 853 N ALA A 55 -7.320 12.241 6.236 1.00 14.10 N ATOM 854 CA ALA A 55 -8.035 12.907 5.154 1.00 60.12 C ATOM 855 C ALA A 55 -9.380 13.442 5.633 1.00 11.01 C ATOM 856 O ALA A 55 -9.896 14.420 5.094 1.00 13.11 O ATOM 857 CB ALA A 55 -8.230 11.953 3.985 1.00 40.21 C ATOM 0 H ALA A 55 -7.055 11.277 6.036 1.00 14.10 H new ATOM 0 HA ALA A 55 -7.434 13.754 4.821 1.00 60.12 H new ATOM 0 HB1 ALA A 55 -8.765 12.463 3.184 1.00 40.21 H new ATOM 0 HB2 ALA A 55 -7.258 11.623 3.619 1.00 40.21 H new ATOM 0 HB3 ALA A 55 -8.807 11.088 4.313 1.00 40.21 H new ATOM 863 N GLU A 56 -9.943 12.793 6.648 1.00 22.13 N ATOM 864 CA GLU A 56 -11.230 13.204 7.197 1.00 30.52 C ATOM 865 C GLU A 56 -11.072 14.431 8.090 1.00 2.53 C ATOM 866 O GLU A 56 -12.019 15.192 8.286 1.00 51.03 O ATOM 867 CB GLU A 56 -11.859 12.057 7.992 1.00 53.23 C ATOM 868 CG GLU A 56 -13.030 12.490 8.859 1.00 21.24 C ATOM 869 CD GLU A 56 -13.619 11.343 9.657 1.00 44.11 C ATOM 870 OE1 GLU A 56 -12.925 10.317 9.822 1.00 13.51 O ATOM 871 OE2 GLU A 56 -14.773 11.469 10.116 1.00 54.42 O ATOM 0 H GLU A 56 -9.528 11.981 7.106 1.00 22.13 H new ATOM 0 HA GLU A 56 -11.886 13.463 6.366 1.00 30.52 H new ATOM 0 HB2 GLU A 56 -12.196 11.287 7.298 1.00 53.23 H new ATOM 0 HB3 GLU A 56 -11.096 11.604 8.625 1.00 53.23 H new ATOM 0 HG2 GLU A 56 -12.701 13.273 9.543 1.00 21.24 H new ATOM 0 HG3 GLU A 56 -13.805 12.924 8.227 1.00 21.24 H new ATOM 879 N GLU A 57 -9.871 14.614 8.628 1.00 51.22 N ATOM 880 CA GLU A 57 -9.591 15.749 9.501 1.00 63.30 C ATOM 881 C GLU A 57 -9.608 17.057 8.716 1.00 70.22 C ATOM 882 O GLU A 57 -10.246 18.028 9.122 1.00 34.33 O ATOM 883 CB GLU A 57 -8.234 15.570 10.186 1.00 63.53 C ATOM 884 CG GLU A 57 -7.869 16.711 11.121 1.00 2.33 C ATOM 885 CD GLU A 57 -8.722 16.734 12.375 1.00 5.12 C ATOM 886 OE1 GLU A 57 -8.560 15.827 13.218 1.00 74.54 O ATOM 887 OE2 GLU A 57 -9.552 17.656 12.513 1.00 14.32 O ATOM 0 H GLU A 57 -9.077 13.992 8.476 1.00 51.22 H new ATOM 0 HA GLU A 57 -10.371 15.792 10.261 1.00 63.30 H new ATOM 0 HB2 GLU A 57 -8.241 14.637 10.750 1.00 63.53 H new ATOM 0 HB3 GLU A 57 -7.461 15.475 9.423 1.00 63.53 H new ATOM 0 HG2 GLU A 57 -6.819 16.624 11.402 1.00 2.33 H new ATOM 0 HG3 GLU A 57 -7.980 17.658 10.593 1.00 2.33 H new ATOM 895 N ARG A 58 -8.902 17.074 7.590 1.00 23.22 N ATOM 896 CA ARG A 58 -8.835 18.262 6.748 1.00 72.20 C ATOM 897 C ARG A 58 -10.104 18.412 5.915 1.00 0.02 C ATOM 898 O ARG A 58 -10.516 19.524 5.586 1.00 10.11 O ATOM 899 CB ARG A 58 -7.614 18.194 5.830 1.00 14.12 C ATOM 900 CG ARG A 58 -7.422 16.838 5.171 1.00 22.34 C ATOM 901 CD ARG A 58 -6.129 16.177 5.623 1.00 72.11 C ATOM 902 NE ARG A 58 -5.928 16.297 7.064 1.00 23.21 N ATOM 903 CZ ARG A 58 -4.828 15.890 7.689 1.00 13.22 C ATOM 904 NH1 ARG A 58 -3.835 15.342 7.002 1.00 4.21 N ATOM 905 NH2 ARG A 58 -4.719 16.033 9.004 1.00 14.22 N ATOM 0 H ARG A 58 -8.368 16.278 7.240 1.00 23.22 H new ATOM 0 HA ARG A 58 -8.744 19.132 7.398 1.00 72.20 H new ATOM 0 HB2 ARG A 58 -7.710 18.955 5.055 1.00 14.12 H new ATOM 0 HB3 ARG A 58 -6.722 18.437 6.407 1.00 14.12 H new ATOM 0 HG2 ARG A 58 -8.266 16.192 5.413 1.00 22.34 H new ATOM 0 HG3 ARG A 58 -7.412 16.957 4.088 1.00 22.34 H new ATOM 0 HD2 ARG A 58 -6.144 15.123 5.346 1.00 72.11 H new ATOM 0 HD3 ARG A 58 -5.287 16.632 5.100 1.00 72.11 H new ATOM 0 HE ARG A 58 -6.672 16.716 7.621 1.00 23.21 H new ATOM 0 HH11 ARG A 58 -3.914 15.232 5.991 1.00 4.21 H new ATOM 0 HH12 ARG A 58 -2.992 15.031 7.484 1.00 4.21 H new ATOM 0 HH21 ARG A 58 -5.480 16.456 9.536 1.00 14.22 H new ATOM 0 HH22 ARG A 58 -3.874 15.720 9.483 1.00 14.22 H new ATOM 919 N LEU A 59 -10.718 17.283 5.576 1.00 41.50 N ATOM 920 CA LEU A 59 -11.941 17.288 4.780 1.00 4.02 C ATOM 921 C LEU A 59 -13.132 17.752 5.613 1.00 1.12 C ATOM 922 O LEU A 59 -13.749 18.775 5.319 1.00 1.15 O ATOM 923 CB LEU A 59 -12.211 15.891 4.216 1.00 74.00 C ATOM 924 CG LEU A 59 -13.375 15.779 3.231 1.00 62.10 C ATOM 925 CD1 LEU A 59 -13.289 16.870 2.176 1.00 52.35 C ATOM 926 CD2 LEU A 59 -13.391 14.404 2.579 1.00 15.31 C ATOM 0 H LEU A 59 -10.390 16.354 5.839 1.00 41.50 H new ATOM 0 HA LEU A 59 -11.805 17.987 3.955 1.00 4.02 H new ATOM 0 HB2 LEU A 59 -11.306 15.540 3.720 1.00 74.00 H new ATOM 0 HB3 LEU A 59 -12.400 15.215 5.050 1.00 74.00 H new ATOM 0 HG LEU A 59 -14.306 15.909 3.783 1.00 62.10 H new ATOM 0 HD11 LEU A 59 -14.126 16.774 1.484 1.00 52.35 H new ATOM 0 HD12 LEU A 59 -13.327 17.847 2.659 1.00 52.35 H new ATOM 0 HD13 LEU A 59 -12.352 16.773 1.628 1.00 52.35 H new ATOM 0 HD21 LEU A 59 -14.226 14.342 1.881 1.00 15.31 H new ATOM 0 HD22 LEU A 59 -12.456 14.245 2.041 1.00 15.31 H new ATOM 0 HD23 LEU A 59 -13.502 13.638 3.347 1.00 15.31 H new ATOM 938 N LYS A 60 -13.448 16.992 6.657 1.00 72.33 N ATOM 939 CA LYS A 60 -14.562 17.326 7.536 1.00 54.02 C ATOM 940 C LYS A 60 -14.093 17.458 8.982 1.00 44.44 C ATOM 941 O LYS A 60 -12.900 17.369 9.269 1.00 63.31 O ATOM 942 CB LYS A 60 -15.654 16.258 7.439 1.00 33.23 C ATOM 943 CG LYS A 60 -15.115 14.858 7.200 1.00 10.42 C ATOM 944 CD LYS A 60 -15.199 14.471 5.733 1.00 3.45 C ATOM 945 CE LYS A 60 -16.112 13.272 5.525 1.00 32.23 C ATOM 946 NZ LYS A 60 -16.615 13.194 4.125 1.00 22.45 N ATOM 0 H LYS A 60 -12.948 16.141 6.914 1.00 72.33 H new ATOM 0 HA LYS A 60 -14.970 18.284 7.215 1.00 54.02 H new ATOM 0 HB2 LYS A 60 -16.237 16.262 8.360 1.00 33.23 H new ATOM 0 HB3 LYS A 60 -16.335 16.519 6.629 1.00 33.23 H new ATOM 0 HG2 LYS A 60 -14.078 14.805 7.533 1.00 10.42 H new ATOM 0 HG3 LYS A 60 -15.679 14.143 7.799 1.00 10.42 H new ATOM 0 HD2 LYS A 60 -15.569 15.316 5.153 1.00 3.45 H new ATOM 0 HD3 LYS A 60 -14.202 14.240 5.359 1.00 3.45 H new ATOM 0 HE2 LYS A 60 -15.571 12.357 5.768 1.00 32.23 H new ATOM 0 HE3 LYS A 60 -16.956 13.335 6.211 1.00 32.23 H new ATOM 0 HZ1 LYS A 60 -17.233 12.364 4.024 1.00 22.45 H new ATOM 0 HZ2 LYS A 60 -17.153 14.056 3.901 1.00 22.45 H new ATOM 0 HZ3 LYS A 60 -15.811 13.108 3.471 1.00 22.45 H new ATOM 960 N LYS A 61 -15.041 17.671 9.889 1.00 22.32 N ATOM 961 CA LYS A 61 -14.727 17.812 11.306 1.00 15.43 C ATOM 962 C LYS A 61 -14.602 16.448 11.975 1.00 24.54 C ATOM 963 O LYS A 61 -15.521 15.994 12.658 1.00 22.42 O ATOM 964 CB LYS A 61 -15.805 18.640 12.009 1.00 2.34 C ATOM 965 CG LYS A 61 -15.353 19.231 13.332 1.00 31.44 C ATOM 966 CD LYS A 61 -16.215 20.415 13.739 1.00 3.11 C ATOM 967 CE LYS A 61 -16.519 20.397 15.228 1.00 73.43 C ATOM 968 NZ LYS A 61 -16.364 21.745 15.843 1.00 4.55 N ATOM 0 H LYS A 61 -16.034 17.750 9.668 1.00 22.32 H new ATOM 0 HA LYS A 61 -13.770 18.327 11.390 1.00 15.43 H new ATOM 0 HB2 LYS A 61 -16.119 19.448 11.348 1.00 2.34 H new ATOM 0 HB3 LYS A 61 -16.679 18.012 12.181 1.00 2.34 H new ATOM 0 HG2 LYS A 61 -15.396 18.466 14.107 1.00 31.44 H new ATOM 0 HG3 LYS A 61 -14.313 19.547 13.254 1.00 31.44 H new ATOM 0 HD2 LYS A 61 -15.705 21.343 13.482 1.00 3.11 H new ATOM 0 HD3 LYS A 61 -17.148 20.398 13.176 1.00 3.11 H new ATOM 0 HE2 LYS A 61 -17.537 20.041 15.386 1.00 73.43 H new ATOM 0 HE3 LYS A 61 -15.853 19.692 15.726 1.00 73.43 H new ATOM 0 HZ1 LYS A 61 -16.580 21.690 16.859 1.00 4.55 H new ATOM 0 HZ2 LYS A 61 -15.386 22.075 15.714 1.00 4.55 H new ATOM 0 HZ3 LYS A 61 -17.017 22.412 15.386 1.00 4.55 H new ATOM 982 N LEU A 62 -13.460 15.799 11.775 1.00 70.20 N ATOM 983 CA LEU A 62 -13.214 14.485 12.361 1.00 43.41 C ATOM 984 C LEU A 62 -13.482 14.500 13.862 1.00 44.41 C ATOM 985 O LEU A 62 -12.569 14.786 14.635 1.00 11.43 O ATOM 986 CB LEU A 62 -11.773 14.048 12.092 1.00 62.24 C ATOM 987 CG LEU A 62 -11.499 12.547 12.192 1.00 22.41 C ATOM 988 CD1 LEU A 62 -10.153 12.208 11.569 1.00 23.24 C ATOM 989 CD2 LEU A 62 -11.546 12.090 13.644 1.00 13.23 C ATOM 0 H LEU A 62 -12.690 16.161 11.212 1.00 70.20 H new ATOM 0 HA LEU A 62 -13.896 13.773 11.897 1.00 43.41 H new ATOM 0 HB2 LEU A 62 -11.493 14.383 11.093 1.00 62.24 H new ATOM 0 HB3 LEU A 62 -11.120 14.564 12.796 1.00 62.24 H new ATOM 0 HG LEU A 62 -12.276 12.018 11.641 1.00 22.41 H new ATOM 0 HD11 LEU A 62 -9.975 11.136 11.649 1.00 23.24 H new ATOM 0 HD12 LEU A 62 -10.155 12.498 10.518 1.00 23.24 H new ATOM 0 HD13 LEU A 62 -9.364 12.747 12.093 1.00 23.24 H new ATOM 0 HD21 LEU A 62 -11.349 11.019 13.695 1.00 13.23 H new ATOM 0 HD22 LEU A 62 -10.791 12.626 14.219 1.00 13.23 H new ATOM 0 HD23 LEU A 62 -12.532 12.297 14.059 1.00 13.23 H new ATOM 1002 N MET B 1 13.098 -24.690 -8.195 1.00 23.14 N ATOM 1003 CA MET B 1 11.726 -25.011 -8.571 1.00 52.14 C ATOM 1004 C MET B 1 10.910 -23.740 -8.784 1.00 25.11 C ATOM 1005 O MET B 1 9.798 -23.610 -8.269 1.00 31.33 O ATOM 1006 CB MET B 1 11.070 -25.878 -7.495 1.00 70.43 C ATOM 1007 CG MET B 1 11.744 -27.228 -7.309 1.00 41.04 C ATOM 1008 SD MET B 1 10.811 -28.579 -8.057 1.00 34.03 S ATOM 1009 CE MET B 1 11.878 -29.970 -7.690 1.00 32.42 C ATOM 0 H1 MET B 1 13.731 -25.455 -8.505 1.00 23.14 H new ATOM 0 H2 MET B 1 13.383 -23.799 -8.649 1.00 23.14 H new ATOM 0 H3 MET B 1 13.160 -24.587 -7.162 1.00 23.14 H new ATOM 0 HA MET B 1 11.752 -25.566 -9.509 1.00 52.14 H new ATOM 0 HB2 MET B 1 11.085 -25.340 -6.547 1.00 70.43 H new ATOM 0 HB3 MET B 1 10.023 -26.036 -7.755 1.00 70.43 H new ATOM 0 HG2 MET B 1 12.742 -27.195 -7.746 1.00 41.04 H new ATOM 0 HG3 MET B 1 11.869 -27.424 -6.244 1.00 41.04 H new ATOM 0 HE1 MET B 1 11.436 -30.883 -8.090 1.00 32.42 H new ATOM 0 HE2 MET B 1 12.855 -29.810 -8.146 1.00 32.42 H new ATOM 0 HE3 MET B 1 11.993 -30.065 -6.610 1.00 32.42 H new ATOM 1019 N LYS B 2 11.467 -22.805 -9.545 1.00 53.04 N ATOM 1020 CA LYS B 2 10.790 -21.544 -9.827 1.00 72.53 C ATOM 1021 C LYS B 2 10.149 -21.568 -11.211 1.00 33.32 C ATOM 1022 O LYS B 2 10.703 -22.136 -12.154 1.00 75.33 O ATOM 1023 CB LYS B 2 11.779 -20.379 -9.731 1.00 2.01 C ATOM 1024 CG LYS B 2 12.118 -19.985 -8.304 1.00 44.45 C ATOM 1025 CD LYS B 2 13.254 -20.826 -7.749 1.00 42.05 C ATOM 1026 CE LYS B 2 14.572 -20.507 -8.436 1.00 31.33 C ATOM 1027 NZ LYS B 2 15.016 -21.615 -9.327 1.00 53.40 N ATOM 0 H LYS B 2 12.386 -22.896 -9.978 1.00 53.04 H new ATOM 0 HA LYS B 2 10.004 -21.408 -9.085 1.00 72.53 H new ATOM 0 HB2 LYS B 2 12.697 -20.649 -10.252 1.00 2.01 H new ATOM 0 HB3 LYS B 2 11.361 -19.515 -10.248 1.00 2.01 H new ATOM 0 HG2 LYS B 2 12.395 -18.931 -8.273 1.00 44.45 H new ATOM 0 HG3 LYS B 2 11.236 -20.102 -7.674 1.00 44.45 H new ATOM 0 HD2 LYS B 2 13.349 -20.649 -6.678 1.00 42.05 H new ATOM 0 HD3 LYS B 2 13.022 -21.883 -7.878 1.00 42.05 H new ATOM 0 HE2 LYS B 2 14.465 -19.592 -9.019 1.00 31.33 H new ATOM 0 HE3 LYS B 2 15.337 -20.317 -7.683 1.00 31.33 H new ATOM 0 HZ1 LYS B 2 15.524 -21.221 -10.145 1.00 53.40 H new ATOM 0 HZ2 LYS B 2 15.648 -22.251 -8.801 1.00 53.40 H new ATOM 0 HZ3 LYS B 2 14.186 -22.148 -9.658 1.00 53.40 H new ATOM 1041 N LYS B 3 8.981 -20.948 -11.328 1.00 42.24 N ATOM 1042 CA LYS B 3 8.265 -20.896 -12.597 1.00 12.10 C ATOM 1043 C LYS B 3 7.387 -19.651 -12.675 1.00 2.02 C ATOM 1044 O LYS B 3 7.514 -18.847 -13.599 1.00 40.55 O ATOM 1045 CB LYS B 3 7.406 -22.150 -12.774 1.00 33.54 C ATOM 1046 CG LYS B 3 8.217 -23.415 -13.002 1.00 55.21 C ATOM 1047 CD LYS B 3 7.339 -24.562 -13.470 1.00 24.30 C ATOM 1048 CE LYS B 3 7.335 -25.706 -12.468 1.00 61.34 C ATOM 1049 NZ LYS B 3 6.214 -25.587 -11.495 1.00 51.34 N ATOM 0 H LYS B 3 8.509 -20.474 -10.558 1.00 42.24 H new ATOM 0 HA LYS B 3 9.001 -20.852 -13.399 1.00 12.10 H new ATOM 0 HB2 LYS B 3 6.784 -22.282 -11.889 1.00 33.54 H new ATOM 0 HB3 LYS B 3 6.733 -22.003 -13.618 1.00 33.54 H new ATOM 0 HG2 LYS B 3 8.992 -23.223 -13.744 1.00 55.21 H new ATOM 0 HG3 LYS B 3 8.723 -23.696 -12.078 1.00 55.21 H new ATOM 0 HD2 LYS B 3 6.320 -24.204 -13.619 1.00 24.30 H new ATOM 0 HD3 LYS B 3 7.695 -24.923 -14.435 1.00 24.30 H new ATOM 0 HE2 LYS B 3 7.255 -26.654 -13.000 1.00 61.34 H new ATOM 0 HE3 LYS B 3 8.283 -25.721 -11.930 1.00 61.34 H new ATOM 0 HZ1 LYS B 3 6.246 -26.385 -10.829 1.00 51.34 H new ATOM 0 HZ2 LYS B 3 6.304 -24.694 -10.969 1.00 51.34 H new ATOM 0 HZ3 LYS B 3 5.308 -25.598 -12.006 1.00 51.34 H new ATOM 1063 N LEU B 4 6.498 -19.497 -11.700 1.00 42.20 N ATOM 1064 CA LEU B 4 5.599 -18.349 -11.658 1.00 74.34 C ATOM 1065 C LEU B 4 5.556 -17.742 -10.258 1.00 63.42 C ATOM 1066 O LEU B 4 4.696 -16.914 -9.956 1.00 23.33 O ATOM 1067 CB LEU B 4 4.192 -18.761 -12.090 1.00 3.52 C ATOM 1068 CG LEU B 4 4.026 -19.136 -13.563 1.00 25.24 C ATOM 1069 CD1 LEU B 4 4.639 -18.071 -14.459 1.00 51.23 C ATOM 1070 CD2 LEU B 4 4.654 -20.495 -13.842 1.00 54.23 C ATOM 0 H LEU B 4 6.380 -20.153 -10.928 1.00 42.20 H new ATOM 0 HA LEU B 4 5.979 -17.597 -12.349 1.00 74.34 H new ATOM 0 HB2 LEU B 4 3.881 -19.611 -11.482 1.00 3.52 H new ATOM 0 HB3 LEU B 4 3.510 -17.941 -11.865 1.00 3.52 H new ATOM 0 HG LEU B 4 2.960 -19.197 -13.783 1.00 25.24 H new ATOM 0 HD11 LEU B 4 4.511 -18.356 -15.503 1.00 51.23 H new ATOM 0 HD12 LEU B 4 4.144 -17.116 -14.280 1.00 51.23 H new ATOM 0 HD13 LEU B 4 5.702 -17.976 -14.237 1.00 51.23 H new ATOM 0 HD21 LEU B 4 4.526 -20.746 -14.895 1.00 54.23 H new ATOM 0 HD22 LEU B 4 5.717 -20.460 -13.604 1.00 54.23 H new ATOM 0 HD23 LEU B 4 4.169 -21.253 -13.227 1.00 54.23 H new ATOM 1082 N ARG B 5 6.489 -18.160 -9.408 1.00 10.35 N ATOM 1083 CA ARG B 5 6.558 -17.658 -8.042 1.00 62.25 C ATOM 1084 C ARG B 5 7.061 -16.218 -8.017 1.00 55.42 C ATOM 1085 O ARG B 5 6.476 -15.358 -7.358 1.00 15.04 O ATOM 1086 CB ARG B 5 7.474 -18.544 -7.195 1.00 5.42 C ATOM 1087 CG ARG B 5 7.217 -20.031 -7.375 1.00 1.43 C ATOM 1088 CD ARG B 5 8.210 -20.867 -6.582 1.00 3.21 C ATOM 1089 NE ARG B 5 7.555 -21.644 -5.532 1.00 13.30 N ATOM 1090 CZ ARG B 5 8.126 -22.669 -4.912 1.00 23.55 C ATOM 1091 NH1 ARG B 5 9.358 -23.041 -5.235 1.00 40.03 N ATOM 1092 NH2 ARG B 5 7.467 -23.326 -3.966 1.00 22.45 N ATOM 0 H ARG B 5 7.207 -18.845 -9.642 1.00 10.35 H new ATOM 0 HA ARG B 5 5.552 -17.681 -7.622 1.00 62.25 H new ATOM 0 HB2 ARG B 5 8.512 -18.329 -7.451 1.00 5.42 H new ATOM 0 HB3 ARG B 5 7.345 -18.286 -6.144 1.00 5.42 H new ATOM 0 HG2 ARG B 5 6.202 -20.268 -7.054 1.00 1.43 H new ATOM 0 HG3 ARG B 5 7.285 -20.288 -8.432 1.00 1.43 H new ATOM 0 HD2 ARG B 5 8.737 -21.541 -7.257 1.00 3.21 H new ATOM 0 HD3 ARG B 5 8.959 -20.213 -6.136 1.00 3.21 H new ATOM 0 HE ARG B 5 6.607 -21.384 -5.261 1.00 13.30 H new ATOM 0 HH11 ARG B 5 9.868 -22.539 -5.961 1.00 40.03 H new ATOM 0 HH12 ARG B 5 9.795 -23.829 -4.757 1.00 40.03 H new ATOM 0 HH21 ARG B 5 6.520 -23.043 -3.714 1.00 22.45 H new ATOM 0 HH22 ARG B 5 7.908 -24.114 -3.491 1.00 22.45 H new ATOM 1106 N GLU B 6 8.149 -15.963 -8.737 1.00 3.42 N ATOM 1107 CA GLU B 6 8.730 -14.628 -8.796 1.00 13.20 C ATOM 1108 C GLU B 6 7.680 -13.593 -9.191 1.00 61.24 C ATOM 1109 O GLU B 6 7.769 -12.427 -8.809 1.00 12.12 O ATOM 1110 CB GLU B 6 9.892 -14.596 -9.791 1.00 11.21 C ATOM 1111 CG GLU B 6 9.449 -14.488 -11.241 1.00 63.20 C ATOM 1112 CD GLU B 6 10.615 -14.499 -12.210 1.00 75.14 C ATOM 1113 OE1 GLU B 6 10.395 -14.810 -13.399 1.00 42.14 O ATOM 1114 OE2 GLU B 6 11.748 -14.197 -11.780 1.00 71.14 O ATOM 0 H GLU B 6 8.645 -16.664 -9.287 1.00 3.42 H new ATOM 0 HA GLU B 6 9.104 -14.380 -7.803 1.00 13.20 H new ATOM 0 HB2 GLU B 6 10.539 -13.752 -9.554 1.00 11.21 H new ATOM 0 HB3 GLU B 6 10.489 -15.500 -9.669 1.00 11.21 H new ATOM 0 HG2 GLU B 6 8.779 -15.316 -11.475 1.00 63.20 H new ATOM 0 HG3 GLU B 6 8.879 -13.569 -11.375 1.00 63.20 H new ATOM 1122 N GLU B 7 6.686 -14.031 -9.958 1.00 73.23 N ATOM 1123 CA GLU B 7 5.620 -13.142 -10.405 1.00 4.30 C ATOM 1124 C GLU B 7 4.965 -12.438 -9.220 1.00 44.14 C ATOM 1125 O GLU B 7 4.522 -11.296 -9.331 1.00 42.43 O ATOM 1126 CB GLU B 7 4.566 -13.928 -11.190 1.00 34.31 C ATOM 1127 CG GLU B 7 5.112 -14.590 -12.445 1.00 42.42 C ATOM 1128 CD GLU B 7 5.213 -13.629 -13.614 1.00 21.21 C ATOM 1129 OE1 GLU B 7 5.072 -14.085 -14.769 1.00 72.14 O ATOM 1130 OE2 GLU B 7 5.431 -12.424 -13.375 1.00 73.44 O ATOM 0 H GLU B 7 6.597 -14.994 -10.282 1.00 73.23 H new ATOM 0 HA GLU B 7 6.061 -12.387 -11.056 1.00 4.30 H new ATOM 0 HB2 GLU B 7 4.138 -14.693 -10.542 1.00 34.31 H new ATOM 0 HB3 GLU B 7 3.755 -13.255 -11.468 1.00 34.31 H new ATOM 0 HG2 GLU B 7 6.098 -15.004 -12.233 1.00 42.42 H new ATOM 0 HG3 GLU B 7 4.468 -15.425 -12.720 1.00 42.42 H new ATOM 1138 N ALA B 8 4.908 -13.130 -8.086 1.00 73.24 N ATOM 1139 CA ALA B 8 4.310 -12.571 -6.880 1.00 42.42 C ATOM 1140 C ALA B 8 5.179 -11.461 -6.299 1.00 33.03 C ATOM 1141 O ALA B 8 4.683 -10.560 -5.623 1.00 14.40 O ATOM 1142 CB ALA B 8 4.086 -13.664 -5.847 1.00 64.33 C ATOM 0 H ALA B 8 5.269 -14.078 -7.978 1.00 73.24 H new ATOM 0 HA ALA B 8 3.347 -12.138 -7.150 1.00 42.42 H new ATOM 0 HB1 ALA B 8 3.639 -13.232 -4.952 1.00 64.33 H new ATOM 0 HB2 ALA B 8 3.418 -14.421 -6.257 1.00 64.33 H new ATOM 0 HB3 ALA B 8 5.041 -14.123 -5.591 1.00 64.33 H new ATOM 1148 N ALA B 9 6.479 -11.533 -6.566 1.00 41.20 N ATOM 1149 CA ALA B 9 7.417 -10.533 -6.071 1.00 45.44 C ATOM 1150 C ALA B 9 7.204 -9.190 -6.762 1.00 41.30 C ATOM 1151 O ALA B 9 7.433 -8.134 -6.173 1.00 35.10 O ATOM 1152 CB ALA B 9 8.848 -11.009 -6.268 1.00 72.30 C ATOM 0 H ALA B 9 6.906 -12.273 -7.122 1.00 41.20 H new ATOM 0 HA ALA B 9 7.235 -10.396 -5.005 1.00 45.44 H new ATOM 0 HB1 ALA B 9 9.538 -10.252 -5.894 1.00 72.30 H new ATOM 0 HB2 ALA B 9 9.000 -11.940 -5.722 1.00 72.30 H new ATOM 0 HB3 ALA B 9 9.033 -11.176 -7.329 1.00 72.30 H new ATOM 1158 N LYS B 10 6.764 -9.238 -8.014 1.00 31.34 N ATOM 1159 CA LYS B 10 6.520 -8.026 -8.787 1.00 44.14 C ATOM 1160 C LYS B 10 5.229 -7.347 -8.339 1.00 22.21 C ATOM 1161 O LYS B 10 5.124 -6.119 -8.352 1.00 24.52 O ATOM 1162 CB LYS B 10 6.444 -8.354 -10.280 1.00 64.13 C ATOM 1163 CG LYS B 10 7.537 -9.297 -10.752 1.00 73.23 C ATOM 1164 CD LYS B 10 8.217 -8.779 -12.008 1.00 73.13 C ATOM 1165 CE LYS B 10 7.421 -9.129 -13.256 1.00 52.13 C ATOM 1166 NZ LYS B 10 7.364 -7.990 -14.215 1.00 61.23 N ATOM 0 H LYS B 10 6.569 -10.104 -8.516 1.00 31.34 H new ATOM 0 HA LYS B 10 7.350 -7.341 -8.614 1.00 44.14 H new ATOM 0 HB2 LYS B 10 5.473 -8.799 -10.497 1.00 64.13 H new ATOM 0 HB3 LYS B 10 6.504 -7.427 -10.851 1.00 64.13 H new ATOM 0 HG2 LYS B 10 8.277 -9.422 -9.962 1.00 73.23 H new ATOM 0 HG3 LYS B 10 7.110 -10.281 -10.948 1.00 73.23 H new ATOM 0 HD2 LYS B 10 8.333 -7.697 -11.941 1.00 73.13 H new ATOM 0 HD3 LYS B 10 9.218 -9.203 -12.083 1.00 73.13 H new ATOM 0 HE2 LYS B 10 7.872 -9.993 -13.744 1.00 52.13 H new ATOM 0 HE3 LYS B 10 6.408 -9.416 -12.972 1.00 52.13 H new ATOM 0 HZ1 LYS B 10 6.813 -8.268 -15.052 1.00 61.23 H new ATOM 0 HZ2 LYS B 10 6.910 -7.173 -13.758 1.00 61.23 H new ATOM 0 HZ3 LYS B 10 8.329 -7.732 -14.506 1.00 61.23 H new ATOM 1180 N LEU B 11 4.249 -8.151 -7.942 1.00 33.55 N ATOM 1181 CA LEU B 11 2.965 -7.628 -7.488 1.00 31.30 C ATOM 1182 C LEU B 11 3.161 -6.571 -6.405 1.00 13.51 C ATOM 1183 O LEU B 11 2.557 -5.498 -6.454 1.00 23.41 O ATOM 1184 CB LEU B 11 2.089 -8.763 -6.956 1.00 72.01 C ATOM 1185 CG LEU B 11 1.864 -9.939 -7.907 1.00 63.11 C ATOM 1186 CD1 LEU B 11 0.873 -10.927 -7.309 1.00 34.13 C ATOM 1187 CD2 LEU B 11 1.377 -9.445 -9.261 1.00 42.23 C ATOM 0 H LEU B 11 4.319 -9.168 -7.925 1.00 33.55 H new ATOM 0 HA LEU B 11 2.468 -7.163 -8.339 1.00 31.30 H new ATOM 0 HB2 LEU B 11 2.540 -9.144 -6.039 1.00 72.01 H new ATOM 0 HB3 LEU B 11 1.118 -8.349 -6.686 1.00 72.01 H new ATOM 0 HG LEU B 11 2.815 -10.452 -8.051 1.00 63.11 H new ATOM 0 HD11 LEU B 11 0.725 -11.757 -8.000 1.00 34.13 H new ATOM 0 HD12 LEU B 11 1.262 -11.306 -6.364 1.00 34.13 H new ATOM 0 HD13 LEU B 11 -0.079 -10.426 -7.134 1.00 34.13 H new ATOM 0 HD21 LEU B 11 1.222 -10.296 -9.925 1.00 42.23 H new ATOM 0 HD22 LEU B 11 0.437 -8.907 -9.136 1.00 42.23 H new ATOM 0 HD23 LEU B 11 2.122 -8.778 -9.694 1.00 42.23 H new ATOM 1199 N PHE B 12 4.009 -6.880 -5.430 1.00 12.40 N ATOM 1200 CA PHE B 12 4.285 -5.956 -4.336 1.00 55.23 C ATOM 1201 C PHE B 12 5.146 -4.789 -4.813 1.00 43.41 C ATOM 1202 O PHE B 12 5.163 -3.725 -4.197 1.00 64.25 O ATOM 1203 CB PHE B 12 4.986 -6.686 -3.189 1.00 54.22 C ATOM 1204 CG PHE B 12 4.103 -7.669 -2.476 1.00 3.31 C ATOM 1205 CD1 PHE B 12 2.807 -7.328 -2.124 1.00 64.30 C ATOM 1206 CD2 PHE B 12 4.569 -8.935 -2.157 1.00 22.24 C ATOM 1207 CE1 PHE B 12 1.991 -8.232 -1.468 1.00 32.42 C ATOM 1208 CE2 PHE B 12 3.759 -9.843 -1.502 1.00 40.51 C ATOM 1209 CZ PHE B 12 2.468 -9.490 -1.156 1.00 13.43 C ATOM 0 H PHE B 12 4.517 -7.763 -5.375 1.00 12.40 H new ATOM 0 HA PHE B 12 3.334 -5.561 -3.979 1.00 55.23 H new ATOM 0 HB2 PHE B 12 5.857 -7.210 -3.581 1.00 54.22 H new ATOM 0 HB3 PHE B 12 5.352 -5.952 -2.472 1.00 54.22 H new ATOM 0 HD1 PHE B 12 2.430 -6.345 -2.365 1.00 64.30 H new ATOM 0 HD2 PHE B 12 5.577 -9.215 -2.424 1.00 22.24 H new ATOM 0 HE1 PHE B 12 0.982 -7.954 -1.200 1.00 32.42 H new ATOM 0 HE2 PHE B 12 4.134 -10.827 -1.261 1.00 40.51 H new ATOM 0 HZ PHE B 12 1.833 -10.197 -0.642 1.00 13.43 H new ATOM 1219 N GLU B 13 5.859 -5.000 -5.916 1.00 60.33 N ATOM 1220 CA GLU B 13 6.723 -3.967 -6.474 1.00 13.24 C ATOM 1221 C GLU B 13 5.921 -2.715 -6.819 1.00 15.11 C ATOM 1222 O GLU B 13 6.401 -1.594 -6.655 1.00 22.54 O ATOM 1223 CB GLU B 13 7.438 -4.489 -7.722 1.00 1.31 C ATOM 1224 CG GLU B 13 8.789 -3.837 -7.968 1.00 43.24 C ATOM 1225 CD GLU B 13 9.391 -4.228 -9.303 1.00 5.12 C ATOM 1226 OE1 GLU B 13 10.501 -3.749 -9.616 1.00 62.33 O ATOM 1227 OE2 GLU B 13 8.753 -5.014 -10.036 1.00 40.24 O ATOM 0 H GLU B 13 5.855 -5.876 -6.439 1.00 60.33 H new ATOM 0 HA GLU B 13 7.467 -3.705 -5.721 1.00 13.24 H new ATOM 0 HB2 GLU B 13 7.576 -5.566 -7.628 1.00 1.31 H new ATOM 0 HB3 GLU B 13 6.801 -4.324 -8.591 1.00 1.31 H new ATOM 0 HG2 GLU B 13 8.678 -2.753 -7.927 1.00 43.24 H new ATOM 0 HG3 GLU B 13 9.475 -4.118 -7.168 1.00 43.24 H new ATOM 1235 N GLU B 14 4.698 -2.916 -7.298 1.00 70.02 N ATOM 1236 CA GLU B 14 3.830 -1.804 -7.667 1.00 23.15 C ATOM 1237 C GLU B 14 3.261 -1.122 -6.426 1.00 31.24 C ATOM 1238 O GLU B 14 3.061 0.092 -6.409 1.00 72.41 O ATOM 1239 CB GLU B 14 2.690 -2.293 -8.561 1.00 1.31 C ATOM 1240 CG GLU B 14 3.141 -3.241 -9.660 1.00 21.12 C ATOM 1241 CD GLU B 14 2.222 -3.218 -10.866 1.00 41.44 C ATOM 1242 OE1 GLU B 14 2.718 -2.976 -11.985 1.00 71.10 O ATOM 1243 OE2 GLU B 14 1.005 -3.441 -10.689 1.00 75.31 O ATOM 0 H GLU B 14 4.286 -3.838 -7.440 1.00 70.02 H new ATOM 0 HA GLU B 14 4.428 -1.078 -8.217 1.00 23.15 H new ATOM 0 HB2 GLU B 14 1.945 -2.795 -7.943 1.00 1.31 H new ATOM 0 HB3 GLU B 14 2.200 -1.431 -9.015 1.00 1.31 H new ATOM 0 HG2 GLU B 14 4.151 -2.974 -9.973 1.00 21.12 H new ATOM 0 HG3 GLU B 14 3.188 -4.255 -9.263 1.00 21.12 H new ATOM 1251 N TRP B 15 3.004 -1.913 -5.390 1.00 50.21 N ATOM 1252 CA TRP B 15 2.457 -1.386 -4.145 1.00 71.21 C ATOM 1253 C TRP B 15 3.318 -0.247 -3.611 1.00 73.35 C ATOM 1254 O TRP B 15 2.814 0.828 -3.287 1.00 71.01 O ATOM 1255 CB TRP B 15 2.353 -2.498 -3.099 1.00 55.01 C ATOM 1256 CG TRP B 15 1.246 -3.470 -3.373 1.00 15.15 C ATOM 1257 CD1 TRP B 15 0.695 -3.763 -4.588 1.00 41.40 C ATOM 1258 CD2 TRP B 15 0.554 -4.275 -2.413 1.00 72.42 C ATOM 1259 NE1 TRP B 15 -0.298 -4.701 -4.440 1.00 72.10 N ATOM 1260 CE2 TRP B 15 -0.402 -5.032 -3.115 1.00 4.40 C ATOM 1261 CE3 TRP B 15 0.653 -4.431 -1.027 1.00 11.50 C ATOM 1262 CZ2 TRP B 15 -1.255 -5.930 -2.477 1.00 21.23 C ATOM 1263 CZ3 TRP B 15 -0.194 -5.322 -0.396 1.00 31.02 C ATOM 1264 CH2 TRP B 15 -1.137 -6.063 -1.120 1.00 12.11 C ATOM 0 H TRP B 15 3.165 -2.920 -5.387 1.00 50.21 H new ATOM 0 HA TRP B 15 1.460 -0.996 -4.351 1.00 71.21 H new ATOM 0 HB2 TRP B 15 3.299 -3.038 -3.058 1.00 55.01 H new ATOM 0 HB3 TRP B 15 2.199 -2.050 -2.117 1.00 55.01 H new ATOM 0 HD1 TRP B 15 0.996 -3.322 -5.527 1.00 41.40 H new ATOM 0 HE1 TRP B 15 -0.865 -5.088 -5.194 1.00 72.10 H new ATOM 0 HE3 TRP B 15 1.378 -3.866 -0.460 1.00 11.50 H new ATOM 0 HZ2 TRP B 15 -1.984 -6.501 -3.034 1.00 21.23 H new ATOM 0 HZ3 TRP B 15 -0.128 -5.449 0.674 1.00 31.02 H new ATOM 0 HH2 TRP B 15 -1.783 -6.752 -0.597 1.00 12.11 H new ATOM 1275 N LYS B 16 4.622 -0.489 -3.521 1.00 31.43 N ATOM 1276 CA LYS B 16 5.555 0.517 -3.027 1.00 24.23 C ATOM 1277 C LYS B 16 5.731 1.641 -4.043 1.00 31.13 C ATOM 1278 O LYS B 16 5.971 2.792 -3.676 1.00 62.12 O ATOM 1279 CB LYS B 16 6.911 -0.124 -2.720 1.00 72.05 C ATOM 1280 CG LYS B 16 7.995 0.884 -2.379 1.00 31.12 C ATOM 1281 CD LYS B 16 8.970 1.064 -3.530 1.00 33.52 C ATOM 1282 CE LYS B 16 10.354 1.455 -3.033 1.00 62.42 C ATOM 1283 NZ LYS B 16 10.653 2.890 -3.295 1.00 1.13 N ATOM 0 H LYS B 16 5.056 -1.374 -3.784 1.00 31.43 H new ATOM 0 HA LYS B 16 5.143 0.940 -2.111 1.00 24.23 H new ATOM 0 HB2 LYS B 16 6.796 -0.817 -1.887 1.00 72.05 H new ATOM 0 HB3 LYS B 16 7.230 -0.711 -3.581 1.00 72.05 H new ATOM 0 HG2 LYS B 16 7.538 1.843 -2.135 1.00 31.12 H new ATOM 0 HG3 LYS B 16 8.535 0.553 -1.492 1.00 31.12 H new ATOM 0 HD2 LYS B 16 9.036 0.138 -4.101 1.00 33.52 H new ATOM 0 HD3 LYS B 16 8.596 1.831 -4.208 1.00 33.52 H new ATOM 0 HE2 LYS B 16 10.424 1.259 -1.963 1.00 62.42 H new ATOM 0 HE3 LYS B 16 11.104 0.833 -3.521 1.00 62.42 H new ATOM 0 HZ1 LYS B 16 11.605 3.116 -2.942 1.00 1.13 H new ATOM 0 HZ2 LYS B 16 10.611 3.072 -4.318 1.00 1.13 H new ATOM 0 HZ3 LYS B 16 9.952 3.485 -2.808 1.00 1.13 H new ATOM 1297 N LYS B 17 5.608 1.301 -5.322 1.00 73.11 N ATOM 1298 CA LYS B 17 5.751 2.282 -6.391 1.00 53.11 C ATOM 1299 C LYS B 17 4.632 3.318 -6.332 1.00 32.20 C ATOM 1300 O LYS B 17 4.887 4.524 -6.347 1.00 25.42 O ATOM 1301 CB LYS B 17 5.744 1.586 -7.754 1.00 64.22 C ATOM 1302 CG LYS B 17 7.002 1.831 -8.569 1.00 21.23 C ATOM 1303 CD LYS B 17 7.228 0.729 -9.591 1.00 43.22 C ATOM 1304 CE LYS B 17 8.669 0.705 -10.076 1.00 62.12 C ATOM 1305 NZ LYS B 17 9.032 1.956 -10.798 1.00 42.23 N ATOM 0 H LYS B 17 5.410 0.353 -5.643 1.00 73.11 H new ATOM 0 HA LYS B 17 6.704 2.794 -6.256 1.00 53.11 H new ATOM 0 HB2 LYS B 17 5.622 0.513 -7.604 1.00 64.22 H new ATOM 0 HB3 LYS B 17 4.880 1.929 -8.323 1.00 64.22 H new ATOM 0 HG2 LYS B 17 6.925 2.791 -9.079 1.00 21.23 H new ATOM 0 HG3 LYS B 17 7.862 1.892 -7.902 1.00 21.23 H new ATOM 0 HD2 LYS B 17 6.976 -0.235 -9.150 1.00 43.22 H new ATOM 0 HD3 LYS B 17 6.560 0.876 -10.440 1.00 43.22 H new ATOM 0 HE2 LYS B 17 9.336 0.570 -9.225 1.00 62.12 H new ATOM 0 HE3 LYS B 17 8.816 -0.151 -10.735 1.00 62.12 H new ATOM 0 HZ1 LYS B 17 10.011 1.887 -11.142 1.00 42.23 H new ATOM 0 HZ2 LYS B 17 8.390 2.090 -11.605 1.00 42.23 H new ATOM 0 HZ3 LYS B 17 8.949 2.766 -10.152 1.00 42.23 H new ATOM 1319 N LEU B 18 3.394 2.842 -6.263 1.00 62.20 N ATOM 1320 CA LEU B 18 2.236 3.727 -6.199 1.00 31.34 C ATOM 1321 C LEU B 18 2.351 4.690 -5.022 1.00 24.04 C ATOM 1322 O LEU B 18 1.769 5.774 -5.036 1.00 31.03 O ATOM 1323 CB LEU B 18 0.949 2.908 -6.080 1.00 73.43 C ATOM 1324 CG LEU B 18 0.648 1.958 -7.240 1.00 72.54 C ATOM 1325 CD1 LEU B 18 0.099 0.639 -6.720 1.00 62.45 C ATOM 1326 CD2 LEU B 18 -0.331 2.598 -8.212 1.00 14.11 C ATOM 0 H LEU B 18 3.166 1.848 -6.250 1.00 62.20 H new ATOM 0 HA LEU B 18 2.204 4.310 -7.119 1.00 31.34 H new ATOM 0 HB2 LEU B 18 0.998 2.323 -5.161 1.00 73.43 H new ATOM 0 HB3 LEU B 18 0.112 3.598 -5.975 1.00 73.43 H new ATOM 0 HG LEU B 18 1.578 1.757 -7.771 1.00 72.54 H new ATOM 0 HD11 LEU B 18 -0.109 -0.025 -7.559 1.00 62.45 H new ATOM 0 HD12 LEU B 18 0.833 0.173 -6.063 1.00 62.45 H new ATOM 0 HD13 LEU B 18 -0.821 0.821 -6.165 1.00 62.45 H new ATOM 0 HD21 LEU B 18 -0.534 1.908 -9.031 1.00 14.11 H new ATOM 0 HD22 LEU B 18 -1.261 2.828 -7.693 1.00 14.11 H new ATOM 0 HD23 LEU B 18 0.100 3.517 -8.610 1.00 14.11 H new ATOM 1338 N ALA B 19 3.107 4.287 -4.007 1.00 52.02 N ATOM 1339 CA ALA B 19 3.303 5.116 -2.824 1.00 42.33 C ATOM 1340 C ALA B 19 4.229 6.289 -3.122 1.00 74.31 C ATOM 1341 O ALA B 19 4.119 7.350 -2.509 1.00 70.44 O ATOM 1342 CB ALA B 19 3.857 4.281 -1.679 1.00 25.14 C ATOM 0 H ALA B 19 3.594 3.391 -3.980 1.00 52.02 H new ATOM 0 HA ALA B 19 2.334 5.518 -2.529 1.00 42.33 H new ATOM 0 HB1 ALA B 19 3.998 4.913 -0.803 1.00 25.14 H new ATOM 0 HB2 ALA B 19 3.156 3.481 -1.440 1.00 25.14 H new ATOM 0 HB3 ALA B 19 4.814 3.850 -1.973 1.00 25.14 H new ATOM 1348 N GLU B 20 5.142 6.090 -4.067 1.00 35.32 N ATOM 1349 CA GLU B 20 6.090 7.133 -4.445 1.00 71.02 C ATOM 1350 C GLU B 20 5.399 8.230 -5.250 1.00 42.34 C ATOM 1351 O GLU B 20 5.539 9.415 -4.949 1.00 13.04 O ATOM 1352 CB GLU B 20 7.241 6.537 -5.258 1.00 31.13 C ATOM 1353 CG GLU B 20 8.158 5.638 -4.447 1.00 72.21 C ATOM 1354 CD GLU B 20 9.488 5.391 -5.132 1.00 25.00 C ATOM 1355 OE1 GLU B 20 9.505 4.670 -6.152 1.00 43.43 O ATOM 1356 OE2 GLU B 20 10.512 5.916 -4.648 1.00 12.21 O ATOM 0 H GLU B 20 5.246 5.217 -4.585 1.00 35.32 H new ATOM 0 HA GLU B 20 6.490 7.573 -3.532 1.00 71.02 H new ATOM 0 HB2 GLU B 20 6.829 5.966 -6.090 1.00 31.13 H new ATOM 0 HB3 GLU B 20 7.829 7.348 -5.688 1.00 31.13 H new ATOM 0 HG2 GLU B 20 8.335 6.091 -3.471 1.00 72.21 H new ATOM 0 HG3 GLU B 20 7.662 4.684 -4.270 1.00 72.21 H new ATOM 1364 N GLU B 21 4.653 7.825 -6.274 1.00 62.42 N ATOM 1365 CA GLU B 21 3.943 8.774 -7.122 1.00 44.45 C ATOM 1366 C GLU B 21 3.011 9.653 -6.293 1.00 51.35 C ATOM 1367 O GLU B 21 2.979 10.872 -6.460 1.00 2.33 O ATOM 1368 CB GLU B 21 3.141 8.033 -8.194 1.00 25.25 C ATOM 1369 CG GLU B 21 2.239 6.945 -7.636 1.00 71.15 C ATOM 1370 CD GLU B 21 1.593 6.108 -8.722 1.00 2.22 C ATOM 1371 OE1 GLU B 21 0.374 5.850 -8.627 1.00 34.12 O ATOM 1372 OE2 GLU B 21 2.306 5.709 -9.668 1.00 53.24 O ATOM 0 H GLU B 21 4.525 6.847 -6.535 1.00 62.42 H new ATOM 0 HA GLU B 21 4.682 9.412 -7.606 1.00 44.45 H new ATOM 0 HB2 GLU B 21 2.532 8.752 -8.742 1.00 25.25 H new ATOM 0 HB3 GLU B 21 3.832 7.588 -8.910 1.00 25.25 H new ATOM 0 HG2 GLU B 21 2.821 6.297 -6.981 1.00 71.15 H new ATOM 0 HG3 GLU B 21 1.461 7.402 -7.024 1.00 71.15 H new ATOM 1380 N ALA B 22 2.254 9.026 -5.398 1.00 22.42 N ATOM 1381 CA ALA B 22 1.323 9.750 -4.542 1.00 31.21 C ATOM 1382 C ALA B 22 2.064 10.697 -3.603 1.00 24.11 C ATOM 1383 O ALA B 22 1.561 11.767 -3.261 1.00 24.13 O ATOM 1384 CB ALA B 22 0.471 8.773 -3.746 1.00 54.14 C ATOM 0 H ALA B 22 2.268 8.017 -5.247 1.00 22.42 H new ATOM 0 HA ALA B 22 0.671 10.348 -5.179 1.00 31.21 H new ATOM 0 HB1 ALA B 22 -0.220 9.327 -3.111 1.00 54.14 H new ATOM 0 HB2 ALA B 22 -0.093 8.140 -4.431 1.00 54.14 H new ATOM 0 HB3 ALA B 22 1.115 8.151 -3.125 1.00 54.14 H new ATOM 1390 N ALA B 23 3.262 10.295 -3.190 1.00 50.35 N ATOM 1391 CA ALA B 23 4.072 11.109 -2.291 1.00 1.11 C ATOM 1392 C ALA B 23 4.611 12.344 -3.005 1.00 61.13 C ATOM 1393 O ALA B 23 4.494 13.463 -2.506 1.00 41.11 O ATOM 1394 CB ALA B 23 5.217 10.284 -1.721 1.00 53.34 C ATOM 0 H ALA B 23 3.693 9.412 -3.463 1.00 50.35 H new ATOM 0 HA ALA B 23 3.437 11.444 -1.471 1.00 1.11 H new ATOM 0 HB1 ALA B 23 5.814 10.904 -1.052 1.00 53.34 H new ATOM 0 HB2 ALA B 23 4.814 9.436 -1.168 1.00 53.34 H new ATOM 0 HB3 ALA B 23 5.844 9.921 -2.535 1.00 53.34 H new ATOM 1400 N LYS B 24 5.203 12.134 -4.176 1.00 64.35 N ATOM 1401 CA LYS B 24 5.760 13.229 -4.960 1.00 51.31 C ATOM 1402 C LYS B 24 4.662 14.182 -5.421 1.00 44.41 C ATOM 1403 O LYS B 24 4.860 15.397 -5.474 1.00 20.44 O ATOM 1404 CB LYS B 24 6.517 12.683 -6.172 1.00 34.53 C ATOM 1405 CG LYS B 24 5.651 11.864 -7.112 1.00 23.53 C ATOM 1406 CD LYS B 24 6.441 11.375 -8.315 1.00 11.41 C ATOM 1407 CE LYS B 24 7.475 10.334 -7.918 1.00 34.14 C ATOM 1408 NZ LYS B 24 7.568 9.234 -8.917 1.00 42.41 N ATOM 0 H LYS B 24 5.309 11.214 -4.603 1.00 64.35 H new ATOM 0 HA LYS B 24 6.453 13.781 -4.325 1.00 51.31 H new ATOM 0 HB2 LYS B 24 6.950 13.517 -6.725 1.00 34.53 H new ATOM 0 HB3 LYS B 24 7.345 12.066 -5.824 1.00 34.53 H new ATOM 0 HG2 LYS B 24 5.237 11.010 -6.576 1.00 23.53 H new ATOM 0 HG3 LYS B 24 4.808 12.467 -7.450 1.00 23.53 H new ATOM 0 HD2 LYS B 24 5.759 10.949 -9.051 1.00 11.41 H new ATOM 0 HD3 LYS B 24 6.938 12.219 -8.792 1.00 11.41 H new ATOM 0 HE2 LYS B 24 8.449 10.812 -7.813 1.00 34.14 H new ATOM 0 HE3 LYS B 24 7.216 9.919 -6.944 1.00 34.14 H new ATOM 0 HZ1 LYS B 24 8.284 8.545 -8.609 1.00 42.41 H new ATOM 0 HZ2 LYS B 24 6.645 8.761 -9.000 1.00 42.41 H new ATOM 0 HZ3 LYS B 24 7.840 9.626 -9.841 1.00 42.41 H new ATOM 1422 N LEU B 25 3.502 13.624 -5.753 1.00 71.03 N ATOM 1423 CA LEU B 25 2.371 14.426 -6.208 1.00 21.42 C ATOM 1424 C LEU B 25 1.693 15.126 -5.034 1.00 22.02 C ATOM 1425 O LEU B 25 1.269 16.277 -5.146 1.00 13.33 O ATOM 1426 CB LEU B 25 1.360 13.544 -6.944 1.00 71.14 C ATOM 1427 CG LEU B 25 1.548 13.427 -8.456 1.00 1.23 C ATOM 1428 CD1 LEU B 25 0.478 12.529 -9.059 1.00 31.34 C ATOM 1429 CD2 LEU B 25 1.518 14.803 -9.105 1.00 73.21 C ATOM 0 H LEU B 25 3.320 12.621 -5.716 1.00 71.03 H new ATOM 0 HA LEU B 25 2.747 15.187 -6.892 1.00 21.42 H new ATOM 0 HB2 LEU B 25 1.401 12.543 -6.514 1.00 71.14 H new ATOM 0 HB3 LEU B 25 0.360 13.933 -6.751 1.00 71.14 H new ATOM 0 HG LEU B 25 2.522 12.977 -8.648 1.00 1.23 H new ATOM 0 HD11 LEU B 25 0.628 12.457 -10.136 1.00 31.34 H new ATOM 0 HD12 LEU B 25 0.545 11.535 -8.616 1.00 31.34 H new ATOM 0 HD13 LEU B 25 -0.507 12.950 -8.857 1.00 31.34 H new ATOM 0 HD21 LEU B 25 1.653 14.700 -10.182 1.00 73.21 H new ATOM 0 HD22 LEU B 25 0.559 15.279 -8.904 1.00 73.21 H new ATOM 0 HD23 LEU B 25 2.321 15.416 -8.695 1.00 73.21 H new ATOM 1441 N LEU B 26 1.595 14.426 -3.910 1.00 3.45 N ATOM 1442 CA LEU B 26 0.970 14.981 -2.715 1.00 72.04 C ATOM 1443 C LEU B 26 1.547 16.354 -2.386 1.00 11.13 C ATOM 1444 O LEU B 26 0.809 17.297 -2.103 1.00 65.02 O ATOM 1445 CB LEU B 26 1.166 14.037 -1.527 1.00 1.35 C ATOM 1446 CG LEU B 26 -0.002 13.100 -1.215 1.00 11.31 C ATOM 1447 CD1 LEU B 26 0.483 11.878 -0.452 1.00 62.20 C ATOM 1448 CD2 LEU B 26 -1.077 13.833 -0.425 1.00 41.30 C ATOM 0 H LEU B 26 1.940 13.473 -3.801 1.00 3.45 H new ATOM 0 HA LEU B 26 -0.096 15.092 -2.912 1.00 72.04 H new ATOM 0 HB2 LEU B 26 2.053 13.431 -1.713 1.00 1.35 H new ATOM 0 HB3 LEU B 26 1.371 14.638 -0.641 1.00 1.35 H new ATOM 0 HG LEU B 26 -0.436 12.765 -2.157 1.00 11.31 H new ATOM 0 HD11 LEU B 26 -0.362 11.223 -0.239 1.00 62.20 H new ATOM 0 HD12 LEU B 26 1.216 11.341 -1.054 1.00 62.20 H new ATOM 0 HD13 LEU B 26 0.943 12.193 0.485 1.00 62.20 H new ATOM 0 HD21 LEU B 26 -1.900 13.151 -0.212 1.00 41.30 H new ATOM 0 HD22 LEU B 26 -0.655 14.197 0.512 1.00 41.30 H new ATOM 0 HD23 LEU B 26 -1.446 14.676 -1.009 1.00 41.30 H new ATOM 1460 N GLU B 27 2.872 16.460 -2.431 1.00 44.53 N ATOM 1461 CA GLU B 27 3.547 17.719 -2.139 1.00 70.22 C ATOM 1462 C GLU B 27 3.705 18.557 -3.404 1.00 3.50 C ATOM 1463 O GLU B 27 4.045 19.738 -3.342 1.00 63.21 O ATOM 1464 CB GLU B 27 4.919 17.455 -1.514 1.00 14.52 C ATOM 1465 CG GLU B 27 5.580 18.701 -0.948 1.00 3.21 C ATOM 1466 CD GLU B 27 4.738 19.373 0.120 1.00 35.32 C ATOM 1467 OE1 GLU B 27 4.596 20.612 0.068 1.00 40.12 O ATOM 1468 OE2 GLU B 27 4.225 18.660 1.007 1.00 73.24 O ATOM 0 H GLU B 27 3.498 15.690 -2.667 1.00 44.53 H new ATOM 0 HA GLU B 27 2.934 18.275 -1.430 1.00 70.22 H new ATOM 0 HB2 GLU B 27 4.811 16.718 -0.718 1.00 14.52 H new ATOM 0 HB3 GLU B 27 5.574 17.017 -2.267 1.00 14.52 H new ATOM 0 HG2 GLU B 27 6.549 18.434 -0.527 1.00 3.21 H new ATOM 0 HG3 GLU B 27 5.767 19.408 -1.756 1.00 3.21 H new ATOM 1476 N GLY B 28 3.455 17.937 -4.554 1.00 62.34 N ATOM 1477 CA GLY B 28 3.574 18.640 -5.818 1.00 20.44 C ATOM 1478 C GLY B 28 5.004 19.041 -6.124 1.00 24.33 C ATOM 1479 O GLY B 28 5.244 19.958 -6.908 1.00 24.34 O ATOM 0 H GLY B 28 3.172 16.960 -4.632 1.00 62.34 H new ATOM 0 HA2 GLY B 28 3.198 18.005 -6.620 1.00 20.44 H new ATOM 0 HA3 GLY B 28 2.947 19.531 -5.796 1.00 20.44 H new ATOM 1483 N GLY B 29 5.957 18.351 -5.503 1.00 11.33 N ATOM 1484 CA GLY B 29 7.358 18.656 -5.726 1.00 14.25 C ATOM 1485 C GLY B 29 8.200 17.411 -5.919 1.00 1.02 C ATOM 1486 O GLY B 29 8.911 17.282 -6.914 1.00 33.34 O ATOM 0 H GLY B 29 5.783 17.587 -4.850 1.00 11.33 H new ATOM 0 HA2 GLY B 29 7.452 19.294 -6.605 1.00 14.25 H new ATOM 0 HA3 GLY B 29 7.742 19.223 -4.878 1.00 14.25 H new ATOM 1490 N GLY B 30 8.119 16.490 -4.963 1.00 12.02 N ATOM 1491 CA GLY B 30 8.886 15.261 -5.051 1.00 13.11 C ATOM 1492 C GLY B 30 9.561 14.904 -3.742 1.00 61.21 C ATOM 1493 O GLY B 30 10.626 15.429 -3.420 1.00 1.41 O ATOM 0 H GLY B 30 7.536 16.573 -4.130 1.00 12.02 H new ATOM 0 HA2 GLY B 30 8.227 14.446 -5.351 1.00 13.11 H new ATOM 0 HA3 GLY B 30 9.642 15.363 -5.830 1.00 13.11 H new ATOM 1497 N GLY B 31 8.938 14.008 -2.981 1.00 23.15 N ATOM 1498 CA GLY B 31 9.499 13.598 -1.707 1.00 14.41 C ATOM 1499 C GLY B 31 8.499 13.703 -0.573 1.00 42.13 C ATOM 1500 O GLY B 31 8.627 13.020 0.442 1.00 34.40 O ATOM 0 H GLY B 31 8.055 13.559 -3.225 1.00 23.15 H new ATOM 0 HA2 GLY B 31 9.851 12.569 -1.783 1.00 14.41 H new ATOM 0 HA3 GLY B 31 10.367 14.216 -1.480 1.00 14.41 H new ATOM 1504 N GLY B 32 7.500 14.563 -0.744 1.00 1.52 N ATOM 1505 CA GLY B 32 6.489 14.740 0.282 1.00 73.41 C ATOM 1506 C GLY B 32 6.742 15.966 1.138 1.00 4.24 C ATOM 1507 O GLY B 32 7.711 16.692 0.924 1.00 43.41 O ATOM 0 H GLY B 32 7.373 15.141 -1.575 1.00 1.52 H new ATOM 0 HA2 GLY B 32 5.509 14.824 -0.188 1.00 73.41 H new ATOM 0 HA3 GLY B 32 6.462 13.855 0.918 1.00 73.41 H new ATOM 1511 N GLY B 33 5.864 16.197 2.111 1.00 13.02 N ATOM 1512 CA GLY B 33 6.014 17.345 2.986 1.00 22.14 C ATOM 1513 C GLY B 33 7.200 17.211 3.920 1.00 42.13 C ATOM 1514 O GLY B 33 7.728 18.208 4.411 1.00 53.11 O ATOM 0 H GLY B 33 5.053 15.610 2.308 1.00 13.02 H new ATOM 0 HA2 GLY B 33 6.131 18.245 2.382 1.00 22.14 H new ATOM 0 HA3 GLY B 33 5.105 17.471 3.574 1.00 22.14 H new ATOM 1518 N GLY B 34 7.621 15.974 4.168 1.00 1.53 N ATOM 1519 CA GLY B 34 8.748 15.736 5.050 1.00 70.13 C ATOM 1520 C GLY B 34 8.405 15.979 6.507 1.00 21.34 C ATOM 1521 O GLY B 34 8.763 17.011 7.072 1.00 52.33 O ATOM 0 H GLY B 34 7.201 15.132 3.773 1.00 1.53 H new ATOM 0 HA2 GLY B 34 9.091 14.709 4.927 1.00 70.13 H new ATOM 0 HA3 GLY B 34 9.575 16.385 4.761 1.00 70.13 H new ATOM 1525 N GLY B 35 7.709 15.024 7.116 1.00 53.51 N ATOM 1526 CA GLY B 35 7.328 15.160 8.510 1.00 41.54 C ATOM 1527 C GLY B 35 6.533 13.971 9.012 1.00 4.03 C ATOM 1528 O GLY B 35 6.657 12.867 8.483 1.00 24.31 O ATOM 0 H GLY B 35 7.402 14.160 6.670 1.00 53.51 H new ATOM 0 HA2 GLY B 35 8.225 15.277 9.119 1.00 41.54 H new ATOM 0 HA3 GLY B 35 6.737 16.067 8.635 1.00 41.54 H new ATOM 1532 N GLU B 36 5.716 14.196 10.036 1.00 23.11 N ATOM 1533 CA GLU B 36 4.901 13.132 10.611 1.00 23.03 C ATOM 1534 C GLU B 36 3.852 12.650 9.611 1.00 74.33 C ATOM 1535 O GLU B 36 3.731 11.453 9.350 1.00 34.40 O ATOM 1536 CB GLU B 36 4.216 13.618 11.890 1.00 31.54 C ATOM 1537 CG GLU B 36 5.135 14.405 12.810 1.00 5.40 C ATOM 1538 CD GLU B 36 4.682 14.369 14.257 1.00 41.21 C ATOM 1539 OE1 GLU B 36 4.139 15.387 14.733 1.00 53.23 O ATOM 1540 OE2 GLU B 36 4.869 13.322 14.912 1.00 32.20 O ATOM 0 H GLU B 36 5.601 15.105 10.484 1.00 23.11 H new ATOM 0 HA GLU B 36 5.558 12.297 10.854 1.00 23.03 H new ATOM 0 HB2 GLU B 36 3.363 14.242 11.621 1.00 31.54 H new ATOM 0 HB3 GLU B 36 3.823 12.757 12.432 1.00 31.54 H new ATOM 0 HG2 GLU B 36 6.145 14.002 12.739 1.00 5.40 H new ATOM 0 HG3 GLU B 36 5.180 15.441 12.473 1.00 5.40 H new ATOM 1548 N LEU B 37 3.097 13.591 9.057 1.00 50.22 N ATOM 1549 CA LEU B 37 2.057 13.264 8.087 1.00 33.35 C ATOM 1550 C LEU B 37 2.614 12.393 6.964 1.00 54.15 C ATOM 1551 O LEU B 37 2.102 11.308 6.697 1.00 20.54 O ATOM 1552 CB LEU B 37 1.455 14.544 7.503 1.00 31.43 C ATOM 1553 CG LEU B 37 0.635 14.378 6.224 1.00 32.34 C ATOM 1554 CD1 LEU B 37 -0.714 15.066 6.362 1.00 13.15 C ATOM 1555 CD2 LEU B 37 1.398 14.927 5.027 1.00 4.34 C ATOM 0 H LEU B 37 3.185 14.586 9.262 1.00 50.22 H new ATOM 0 HA LEU B 37 1.276 12.705 8.603 1.00 33.35 H new ATOM 0 HB2 LEU B 37 0.819 15.001 8.261 1.00 31.43 H new ATOM 0 HB3 LEU B 37 2.266 15.244 7.302 1.00 31.43 H new ATOM 0 HG LEU B 37 0.461 13.314 6.061 1.00 32.34 H new ATOM 0 HD11 LEU B 37 -1.284 14.937 5.442 1.00 13.15 H new ATOM 0 HD12 LEU B 37 -1.264 14.626 7.194 1.00 13.15 H new ATOM 0 HD13 LEU B 37 -0.563 16.129 6.549 1.00 13.15 H new ATOM 0 HD21 LEU B 37 0.799 14.801 4.125 1.00 4.34 H new ATOM 0 HD22 LEU B 37 1.603 15.986 5.181 1.00 4.34 H new ATOM 0 HD23 LEU B 37 2.339 14.388 4.917 1.00 4.34 H new ATOM 1567 N MET B 38 3.667 12.878 6.314 1.00 31.03 N ATOM 1568 CA MET B 38 4.296 12.142 5.223 1.00 63.33 C ATOM 1569 C MET B 38 4.804 10.786 5.704 1.00 2.31 C ATOM 1570 O MET B 38 4.820 9.814 4.950 1.00 0.40 O ATOM 1571 CB MET B 38 5.451 12.952 4.632 1.00 12.30 C ATOM 1572 CG MET B 38 6.157 12.253 3.482 1.00 72.10 C ATOM 1573 SD MET B 38 7.951 12.250 3.667 1.00 71.22 S ATOM 1574 CE MET B 38 8.126 11.424 5.247 1.00 21.15 C ATOM 0 H MET B 38 4.102 13.776 6.523 1.00 31.03 H new ATOM 0 HA MET B 38 3.546 11.976 4.450 1.00 63.33 H new ATOM 0 HB2 MET B 38 5.070 13.912 4.284 1.00 12.30 H new ATOM 0 HB3 MET B 38 6.176 13.163 5.418 1.00 12.30 H new ATOM 0 HG2 MET B 38 5.801 11.225 3.413 1.00 72.10 H new ATOM 0 HG3 MET B 38 5.893 12.745 2.546 1.00 72.10 H new ATOM 0 HE1 MET B 38 9.173 11.171 5.411 1.00 21.15 H new ATOM 0 HE2 MET B 38 7.784 12.085 6.043 1.00 21.15 H new ATOM 0 HE3 MET B 38 7.528 10.513 5.250 1.00 21.15 H new ATOM 1584 N LYS B 39 5.220 10.729 6.965 1.00 41.00 N ATOM 1585 CA LYS B 39 5.729 9.493 7.547 1.00 45.15 C ATOM 1586 C LYS B 39 4.719 8.361 7.389 1.00 50.22 C ATOM 1587 O LYS B 39 5.092 7.191 7.294 1.00 72.43 O ATOM 1588 CB LYS B 39 6.051 9.698 9.029 1.00 54.13 C ATOM 1589 CG LYS B 39 7.359 9.056 9.462 1.00 54.54 C ATOM 1590 CD LYS B 39 8.284 10.066 10.121 1.00 3.44 C ATOM 1591 CE LYS B 39 9.346 9.380 10.967 1.00 12.55 C ATOM 1592 NZ LYS B 39 9.638 10.140 12.213 1.00 40.13 N ATOM 0 H LYS B 39 5.215 11.525 7.603 1.00 41.00 H new ATOM 0 HA LYS B 39 6.641 9.220 7.017 1.00 45.15 H new ATOM 0 HB2 LYS B 39 6.094 10.767 9.238 1.00 54.13 H new ATOM 0 HB3 LYS B 39 5.239 9.288 9.629 1.00 54.13 H new ATOM 0 HG2 LYS B 39 7.153 8.242 10.157 1.00 54.54 H new ATOM 0 HG3 LYS B 39 7.855 8.618 8.596 1.00 54.54 H new ATOM 0 HD2 LYS B 39 8.765 10.675 9.355 1.00 3.44 H new ATOM 0 HD3 LYS B 39 7.700 10.742 10.746 1.00 3.44 H new ATOM 0 HE2 LYS B 39 9.012 8.375 11.224 1.00 12.55 H new ATOM 0 HE3 LYS B 39 10.261 9.272 10.384 1.00 12.55 H new ATOM 0 HZ1 LYS B 39 10.366 9.640 12.762 1.00 40.13 H new ATOM 0 HZ2 LYS B 39 9.981 11.091 11.967 1.00 40.13 H new ATOM 0 HZ3 LYS B 39 8.771 10.221 12.782 1.00 40.13 H new ATOM 1606 N LEU B 40 3.439 8.716 7.358 1.00 72.22 N ATOM 1607 CA LEU B 40 2.374 7.729 7.208 1.00 73.35 C ATOM 1608 C LEU B 40 2.367 7.146 5.799 1.00 62.53 C ATOM 1609 O LEU B 40 2.056 5.970 5.606 1.00 32.14 O ATOM 1610 CB LEU B 40 1.017 8.364 7.517 1.00 61.33 C ATOM 1611 CG LEU B 40 0.697 8.575 8.998 1.00 73.03 C ATOM 1612 CD1 LEU B 40 -0.595 9.363 9.157 1.00 73.34 C ATOM 1613 CD2 LEU B 40 0.601 7.240 9.719 1.00 24.44 C ATOM 0 H LEU B 40 3.113 9.679 7.435 1.00 72.22 H new ATOM 0 HA LEU B 40 2.559 6.920 7.915 1.00 73.35 H new ATOM 0 HB2 LEU B 40 0.967 9.330 7.014 1.00 61.33 H new ATOM 0 HB3 LEU B 40 0.238 7.738 7.083 1.00 61.33 H new ATOM 0 HG LEU B 40 1.507 9.149 9.447 1.00 73.03 H new ATOM 0 HD11 LEU B 40 -0.807 9.504 10.217 1.00 73.34 H new ATOM 0 HD12 LEU B 40 -0.490 10.335 8.676 1.00 73.34 H new ATOM 0 HD13 LEU B 40 -1.415 8.815 8.692 1.00 73.34 H new ATOM 0 HD21 LEU B 40 0.373 7.410 10.771 1.00 24.44 H new ATOM 0 HD22 LEU B 40 -0.189 6.639 9.269 1.00 24.44 H new ATOM 0 HD23 LEU B 40 1.551 6.712 9.635 1.00 24.44 H new ATOM 1625 N CYS B 41 2.713 7.974 4.820 1.00 42.10 N ATOM 1626 CA CYS B 41 2.747 7.539 3.428 1.00 40.02 C ATOM 1627 C CYS B 41 3.969 6.667 3.160 1.00 51.15 C ATOM 1628 O CYS B 41 3.918 5.743 2.350 1.00 31.34 O ATOM 1629 CB CYS B 41 2.755 8.751 2.494 1.00 20.42 C ATOM 1630 SG CYS B 41 1.487 9.983 2.872 1.00 21.31 S ATOM 0 H CYS B 41 2.974 8.950 4.964 1.00 42.10 H new ATOM 0 HA CYS B 41 1.852 6.947 3.236 1.00 40.02 H new ATOM 0 HB2 CYS B 41 3.734 9.227 2.542 1.00 20.42 H new ATOM 0 HB3 CYS B 41 2.618 8.407 1.469 1.00 20.42 H new ATOM 0 HG CYS B 41 0.316 9.508 2.567 1.00 21.31 H new ATOM 1636 N GLU B 42 5.067 6.970 3.848 1.00 24.35 N ATOM 1637 CA GLU B 42 6.303 6.214 3.681 1.00 24.53 C ATOM 1638 C GLU B 42 6.190 4.838 4.330 1.00 23.44 C ATOM 1639 O GLU B 42 6.873 3.894 3.931 1.00 31.11 O ATOM 1640 CB GLU B 42 7.480 6.981 4.287 1.00 31.35 C ATOM 1641 CG GLU B 42 8.822 6.296 4.081 1.00 54.01 C ATOM 1642 CD GLU B 42 9.942 6.967 4.851 1.00 72.53 C ATOM 1643 OE1 GLU B 42 10.715 7.728 4.233 1.00 32.33 O ATOM 1644 OE2 GLU B 42 10.047 6.731 6.073 1.00 60.03 O ATOM 0 H GLU B 42 5.125 7.731 4.524 1.00 24.35 H new ATOM 0 HA GLU B 42 6.477 6.080 2.613 1.00 24.53 H new ATOM 0 HB2 GLU B 42 7.519 7.978 3.847 1.00 31.35 H new ATOM 0 HB3 GLU B 42 7.307 7.110 5.355 1.00 31.35 H new ATOM 0 HG2 GLU B 42 8.746 5.254 4.392 1.00 54.01 H new ATOM 0 HG3 GLU B 42 9.066 6.295 3.019 1.00 54.01 H new ATOM 1652 N GLU B 43 5.324 4.731 5.333 1.00 53.02 N ATOM 1653 CA GLU B 43 5.124 3.470 6.038 1.00 53.31 C ATOM 1654 C GLU B 43 4.764 2.353 5.064 1.00 32.11 C ATOM 1655 O GLU B 43 5.102 1.190 5.284 1.00 51.33 O ATOM 1656 CB GLU B 43 4.022 3.619 7.090 1.00 75.51 C ATOM 1657 CG GLU B 43 4.399 4.539 8.240 1.00 5.30 C ATOM 1658 CD GLU B 43 4.537 3.800 9.557 1.00 40.22 C ATOM 1659 OE1 GLU B 43 5.144 2.708 9.563 1.00 54.31 O ATOM 1660 OE2 GLU B 43 4.039 4.313 10.581 1.00 33.12 O ATOM 0 H GLU B 43 4.750 5.502 5.675 1.00 53.02 H new ATOM 0 HA GLU B 43 6.058 3.208 6.534 1.00 53.31 H new ATOM 0 HB2 GLU B 43 3.122 4.002 6.609 1.00 75.51 H new ATOM 0 HB3 GLU B 43 3.776 2.635 7.489 1.00 75.51 H new ATOM 0 HG2 GLU B 43 5.340 5.038 8.008 1.00 5.30 H new ATOM 0 HG3 GLU B 43 3.642 5.317 8.342 1.00 5.30 H new ATOM 1668 N ALA B 44 4.076 2.715 3.986 1.00 52.03 N ATOM 1669 CA ALA B 44 3.672 1.744 2.977 1.00 2.51 C ATOM 1670 C ALA B 44 4.860 0.914 2.507 1.00 1.05 C ATOM 1671 O ALA B 44 4.754 -0.301 2.342 1.00 20.43 O ATOM 1672 CB ALA B 44 3.019 2.450 1.797 1.00 52.31 C ATOM 0 H ALA B 44 3.787 3.673 3.789 1.00 52.03 H new ATOM 0 HA ALA B 44 2.946 1.068 3.429 1.00 2.51 H new ATOM 0 HB1 ALA B 44 2.722 1.713 1.051 1.00 52.31 H new ATOM 0 HB2 ALA B 44 2.139 2.994 2.140 1.00 52.31 H new ATOM 0 HB3 ALA B 44 3.728 3.150 1.354 1.00 52.31 H new ATOM 1678 N ALA B 45 5.991 1.577 2.290 1.00 33.32 N ATOM 1679 CA ALA B 45 7.200 0.898 1.840 1.00 13.21 C ATOM 1680 C ALA B 45 7.848 0.118 2.978 1.00 33.13 C ATOM 1681 O ALA B 45 8.601 -0.828 2.747 1.00 24.35 O ATOM 1682 CB ALA B 45 8.184 1.904 1.259 1.00 41.01 C ATOM 0 H ALA B 45 6.095 2.583 2.419 1.00 33.32 H new ATOM 0 HA ALA B 45 6.920 0.188 1.062 1.00 13.21 H new ATOM 0 HB1 ALA B 45 9.082 1.384 0.927 1.00 41.01 H new ATOM 0 HB2 ALA B 45 7.725 2.414 0.412 1.00 41.01 H new ATOM 0 HB3 ALA B 45 8.450 2.636 2.022 1.00 41.01 H new ATOM 1688 N LYS B 46 7.553 0.522 4.209 1.00 22.41 N ATOM 1689 CA LYS B 46 8.107 -0.139 5.385 1.00 0.30 C ATOM 1690 C LYS B 46 7.480 -1.516 5.580 1.00 64.51 C ATOM 1691 O LYS B 46 8.182 -2.504 5.800 1.00 13.04 O ATOM 1692 CB LYS B 46 7.878 0.718 6.633 1.00 13.35 C ATOM 1693 CG LYS B 46 9.156 1.061 7.377 1.00 12.04 C ATOM 1694 CD LYS B 46 9.811 -0.179 7.962 1.00 22.22 C ATOM 1695 CE LYS B 46 11.269 -0.291 7.541 1.00 0.01 C ATOM 1696 NZ LYS B 46 12.132 -0.770 8.655 1.00 21.53 N ATOM 0 H LYS B 46 6.933 1.304 4.418 1.00 22.41 H new ATOM 0 HA LYS B 46 9.178 -0.265 5.229 1.00 0.30 H new ATOM 0 HB2 LYS B 46 7.377 1.642 6.343 1.00 13.35 H new ATOM 0 HB3 LYS B 46 7.205 0.189 7.308 1.00 13.35 H new ATOM 0 HG2 LYS B 46 9.851 1.555 6.699 1.00 12.04 H new ATOM 0 HG3 LYS B 46 8.934 1.768 8.177 1.00 12.04 H new ATOM 0 HD2 LYS B 46 9.747 -0.147 9.050 1.00 22.22 H new ATOM 0 HD3 LYS B 46 9.268 -1.066 7.637 1.00 22.22 H new ATOM 0 HE2 LYS B 46 11.352 -0.976 6.697 1.00 0.01 H new ATOM 0 HE3 LYS B 46 11.624 0.681 7.199 1.00 0.01 H new ATOM 0 HZ1 LYS B 46 13.117 -0.833 8.328 1.00 21.53 H new ATOM 0 HZ2 LYS B 46 12.073 -0.103 9.451 1.00 21.53 H new ATOM 0 HZ3 LYS B 46 11.809 -1.709 8.965 1.00 21.53 H new ATOM 1710 N LYS B 47 6.156 -1.576 5.497 1.00 45.24 N ATOM 1711 CA LYS B 47 5.434 -2.832 5.661 1.00 72.22 C ATOM 1712 C LYS B 47 5.609 -3.725 4.438 1.00 1.22 C ATOM 1713 O LYS B 47 5.960 -4.898 4.558 1.00 23.12 O ATOM 1714 CB LYS B 47 3.947 -2.562 5.900 1.00 64.14 C ATOM 1715 CG LYS B 47 3.449 -3.048 7.251 1.00 3.22 C ATOM 1716 CD LYS B 47 3.216 -4.550 7.252 1.00 4.02 C ATOM 1717 CE LYS B 47 4.446 -5.305 7.732 1.00 1.31 C ATOM 1718 NZ LYS B 47 4.121 -6.249 8.837 1.00 14.45 N ATOM 0 H LYS B 47 5.560 -0.768 5.317 1.00 45.24 H new ATOM 0 HA LYS B 47 5.847 -3.348 6.527 1.00 72.22 H new ATOM 0 HB2 LYS B 47 3.763 -1.491 5.819 1.00 64.14 H new ATOM 0 HB3 LYS B 47 3.368 -3.045 5.113 1.00 64.14 H new ATOM 0 HG2 LYS B 47 4.176 -2.791 8.022 1.00 3.22 H new ATOM 0 HG3 LYS B 47 2.521 -2.535 7.504 1.00 3.22 H new ATOM 0 HD2 LYS B 47 2.368 -4.787 7.895 1.00 4.02 H new ATOM 0 HD3 LYS B 47 2.955 -4.879 6.246 1.00 4.02 H new ATOM 0 HE2 LYS B 47 4.881 -5.857 6.899 1.00 1.31 H new ATOM 0 HE3 LYS B 47 5.199 -4.594 8.071 1.00 1.31 H new ATOM 0 HZ1 LYS B 47 4.985 -6.744 9.136 1.00 14.45 H new ATOM 0 HZ2 LYS B 47 3.729 -5.720 9.642 1.00 14.45 H new ATOM 0 HZ3 LYS B 47 3.421 -6.943 8.506 1.00 14.45 H new ATOM 1732 N ALA B 48 5.365 -3.161 3.259 1.00 41.33 N ATOM 1733 CA ALA B 48 5.499 -3.904 2.013 1.00 71.53 C ATOM 1734 C ALA B 48 6.873 -4.560 1.911 1.00 23.21 C ATOM 1735 O ALA B 48 6.981 -5.748 1.607 1.00 71.35 O ATOM 1736 CB ALA B 48 5.260 -2.987 0.823 1.00 31.44 C ATOM 0 H ALA B 48 5.073 -2.191 3.142 1.00 41.33 H new ATOM 0 HA ALA B 48 4.747 -4.693 2.006 1.00 71.53 H new ATOM 0 HB1 ALA B 48 5.363 -3.556 -0.101 1.00 31.44 H new ATOM 0 HB2 ALA B 48 4.255 -2.569 0.882 1.00 31.44 H new ATOM 0 HB3 ALA B 48 5.990 -2.178 0.835 1.00 31.44 H new ATOM 1742 N GLU B 49 7.917 -3.779 2.165 1.00 73.35 N ATOM 1743 CA GLU B 49 9.283 -4.285 2.099 1.00 62.14 C ATOM 1744 C GLU B 49 9.451 -5.516 2.986 1.00 51.53 C ATOM 1745 O GLU B 49 10.232 -6.414 2.677 1.00 34.43 O ATOM 1746 CB GLU B 49 10.274 -3.199 2.524 1.00 30.00 C ATOM 1747 CG GLU B 49 11.727 -3.639 2.453 1.00 44.24 C ATOM 1748 CD GLU B 49 12.171 -3.958 1.040 1.00 11.12 C ATOM 1749 OE1 GLU B 49 11.418 -3.641 0.095 1.00 65.24 O ATOM 1750 OE2 GLU B 49 13.272 -4.524 0.877 1.00 1.15 O ATOM 0 H GLU B 49 7.844 -2.794 2.418 1.00 73.35 H new ATOM 0 HA GLU B 49 9.488 -4.571 1.067 1.00 62.14 H new ATOM 0 HB2 GLU B 49 10.137 -2.325 1.888 1.00 30.00 H new ATOM 0 HB3 GLU B 49 10.046 -2.890 3.544 1.00 30.00 H new ATOM 0 HG2 GLU B 49 12.361 -2.852 2.860 1.00 44.24 H new ATOM 0 HG3 GLU B 49 11.868 -4.519 3.081 1.00 44.24 H new ATOM 1758 N GLU B 50 8.709 -5.548 4.090 1.00 20.32 N ATOM 1759 CA GLU B 50 8.777 -6.667 5.022 1.00 10.31 C ATOM 1760 C GLU B 50 8.161 -7.922 4.410 1.00 22.02 C ATOM 1761 O GLU B 50 8.549 -9.043 4.740 1.00 71.34 O ATOM 1762 CB GLU B 50 8.059 -6.318 6.326 1.00 54.15 C ATOM 1763 CG GLU B 50 8.970 -6.322 7.543 1.00 72.30 C ATOM 1764 CD GLU B 50 8.505 -7.287 8.617 1.00 31.01 C ATOM 1765 OE1 GLU B 50 7.279 -7.394 8.826 1.00 51.43 O ATOM 1766 OE2 GLU B 50 9.367 -7.933 9.248 1.00 33.42 O ATOM 0 H GLU B 50 8.055 -4.813 4.360 1.00 20.32 H new ATOM 0 HA GLU B 50 9.827 -6.865 5.236 1.00 10.31 H new ATOM 0 HB2 GLU B 50 7.603 -5.333 6.227 1.00 54.15 H new ATOM 0 HB3 GLU B 50 7.249 -7.030 6.487 1.00 54.15 H new ATOM 0 HG2 GLU B 50 9.981 -6.588 7.234 1.00 72.30 H new ATOM 0 HG3 GLU B 50 9.018 -5.316 7.960 1.00 72.30 H new ATOM 1774 N LEU B 51 7.197 -7.725 3.517 1.00 44.22 N ATOM 1775 CA LEU B 51 6.525 -8.841 2.859 1.00 15.42 C ATOM 1776 C LEU B 51 7.439 -9.496 1.829 1.00 32.13 C ATOM 1777 O LEU B 51 7.623 -10.714 1.832 1.00 71.01 O ATOM 1778 CB LEU B 51 5.239 -8.359 2.183 1.00 22.45 C ATOM 1779 CG LEU B 51 4.410 -7.342 2.966 1.00 60.21 C ATOM 1780 CD1 LEU B 51 3.207 -6.893 2.151 1.00 25.31 C ATOM 1781 CD2 LEU B 51 3.966 -7.928 4.298 1.00 51.22 C ATOM 0 H LEU B 51 6.863 -6.804 3.232 1.00 44.22 H new ATOM 0 HA LEU B 51 6.275 -9.582 3.618 1.00 15.42 H new ATOM 0 HB2 LEU B 51 5.501 -7.920 1.220 1.00 22.45 H new ATOM 0 HB3 LEU B 51 4.613 -9.227 1.978 1.00 22.45 H new ATOM 0 HG LEU B 51 5.033 -6.470 3.165 1.00 60.21 H new ATOM 0 HD11 LEU B 51 2.629 -6.169 2.725 1.00 25.31 H new ATOM 0 HD12 LEU B 51 3.547 -6.432 1.224 1.00 25.31 H new ATOM 0 HD13 LEU B 51 2.582 -7.755 1.920 1.00 25.31 H new ATOM 0 HD21 LEU B 51 3.377 -7.190 4.842 1.00 51.22 H new ATOM 0 HD22 LEU B 51 3.360 -8.817 4.121 1.00 51.22 H new ATOM 0 HD23 LEU B 51 4.843 -8.198 4.887 1.00 51.22 H new ATOM 1793 N PHE B 52 8.013 -8.680 0.951 1.00 24.04 N ATOM 1794 CA PHE B 52 8.911 -9.181 -0.085 1.00 52.30 C ATOM 1795 C PHE B 52 10.118 -9.879 0.533 1.00 63.11 C ATOM 1796 O PHE B 52 10.751 -10.726 -0.098 1.00 53.43 O ATOM 1797 CB PHE B 52 9.375 -8.034 -0.984 1.00 1.21 C ATOM 1798 CG PHE B 52 10.433 -8.437 -1.971 1.00 14.25 C ATOM 1799 CD1 PHE B 52 11.776 -8.350 -1.641 1.00 21.31 C ATOM 1800 CD2 PHE B 52 10.085 -8.903 -3.229 1.00 21.41 C ATOM 1801 CE1 PHE B 52 12.752 -8.720 -2.546 1.00 0.25 C ATOM 1802 CE2 PHE B 52 11.056 -9.275 -4.139 1.00 35.52 C ATOM 1803 CZ PHE B 52 12.392 -9.184 -3.797 1.00 51.13 C ATOM 0 H PHE B 52 7.873 -7.670 0.936 1.00 24.04 H new ATOM 0 HA PHE B 52 8.364 -9.906 -0.687 1.00 52.30 H new ATOM 0 HB2 PHE B 52 8.516 -7.637 -1.526 1.00 1.21 H new ATOM 0 HB3 PHE B 52 9.759 -7.227 -0.360 1.00 1.21 H new ATOM 0 HD1 PHE B 52 12.063 -7.989 -0.665 1.00 21.31 H new ATOM 0 HD2 PHE B 52 9.042 -8.976 -3.501 1.00 21.41 H new ATOM 0 HE1 PHE B 52 13.795 -8.647 -2.276 1.00 0.25 H new ATOM 0 HE2 PHE B 52 10.771 -9.636 -5.116 1.00 35.52 H new ATOM 0 HZ PHE B 52 13.153 -9.475 -4.506 1.00 51.13 H new ATOM 1813 N LYS B 53 10.433 -9.517 1.773 1.00 35.25 N ATOM 1814 CA LYS B 53 11.565 -10.107 2.479 1.00 44.42 C ATOM 1815 C LYS B 53 11.461 -11.629 2.496 1.00 53.44 C ATOM 1816 O LYS B 53 12.345 -12.328 2.000 1.00 14.44 O ATOM 1817 CB LYS B 53 11.632 -9.573 3.912 1.00 2.25 C ATOM 1818 CG LYS B 53 13.035 -9.195 4.353 1.00 1.01 C ATOM 1819 CD LYS B 53 13.363 -7.755 3.996 1.00 5.13 C ATOM 1820 CE LYS B 53 13.896 -6.990 5.197 1.00 63.24 C ATOM 1821 NZ LYS B 53 15.369 -7.149 5.347 1.00 61.32 N ATOM 0 H LYS B 53 9.920 -8.818 2.310 1.00 35.25 H new ATOM 0 HA LYS B 53 12.477 -9.829 1.951 1.00 44.42 H new ATOM 0 HB2 LYS B 53 10.986 -8.699 3.996 1.00 2.25 H new ATOM 0 HB3 LYS B 53 11.237 -10.328 4.592 1.00 2.25 H new ATOM 0 HG2 LYS B 53 13.129 -9.334 5.430 1.00 1.01 H new ATOM 0 HG3 LYS B 53 13.757 -9.861 3.882 1.00 1.01 H new ATOM 0 HD2 LYS B 53 14.102 -7.737 3.195 1.00 5.13 H new ATOM 0 HD3 LYS B 53 12.469 -7.261 3.616 1.00 5.13 H new ATOM 0 HE2 LYS B 53 13.654 -5.933 5.091 1.00 63.24 H new ATOM 0 HE3 LYS B 53 13.399 -7.341 6.101 1.00 63.24 H new ATOM 0 HZ1 LYS B 53 15.693 -6.613 6.177 1.00 61.32 H new ATOM 0 HZ2 LYS B 53 15.598 -8.155 5.474 1.00 61.32 H new ATOM 0 HZ3 LYS B 53 15.845 -6.790 4.495 1.00 61.32 H new ATOM 1835 N LEU B 54 10.374 -12.137 3.068 1.00 60.14 N ATOM 1836 CA LEU B 54 10.155 -13.576 3.149 1.00 43.32 C ATOM 1837 C LEU B 54 9.740 -14.140 1.794 1.00 23.44 C ATOM 1838 O LEU B 54 10.214 -15.199 1.380 1.00 43.31 O ATOM 1839 CB LEU B 54 9.082 -13.891 4.194 1.00 1.34 C ATOM 1840 CG LEU B 54 9.579 -14.096 5.625 1.00 2.34 C ATOM 1841 CD1 LEU B 54 10.514 -15.293 5.699 1.00 3.25 C ATOM 1842 CD2 LEU B 54 10.274 -12.841 6.133 1.00 24.23 C ATOM 0 H LEU B 54 9.632 -11.573 3.482 1.00 60.14 H new ATOM 0 HA LEU B 54 11.093 -14.045 3.447 1.00 43.32 H new ATOM 0 HB2 LEU B 54 8.355 -13.078 4.196 1.00 1.34 H new ATOM 0 HB3 LEU B 54 8.553 -14.791 3.882 1.00 1.34 H new ATOM 0 HG LEU B 54 8.718 -14.294 6.264 1.00 2.34 H new ATOM 0 HD11 LEU B 54 10.858 -15.423 6.725 1.00 3.25 H new ATOM 0 HD12 LEU B 54 9.984 -16.189 5.377 1.00 3.25 H new ATOM 0 HD13 LEU B 54 11.372 -15.125 5.048 1.00 3.25 H new ATOM 0 HD21 LEU B 54 10.621 -13.005 7.153 1.00 24.23 H new ATOM 0 HD22 LEU B 54 11.125 -12.612 5.492 1.00 24.23 H new ATOM 0 HD23 LEU B 54 9.574 -12.006 6.118 1.00 24.23 H new ATOM 1854 N ALA B 55 8.857 -13.426 1.105 1.00 51.15 N ATOM 1855 CA ALA B 55 8.383 -13.853 -0.205 1.00 44.22 C ATOM 1856 C ALA B 55 9.548 -14.073 -1.165 1.00 4.11 C ATOM 1857 O ALA B 55 9.465 -14.897 -2.075 1.00 0.33 O ATOM 1858 CB ALA B 55 7.413 -12.829 -0.776 1.00 74.05 C ATOM 0 H ALA B 55 8.455 -12.548 1.433 1.00 51.15 H new ATOM 0 HA ALA B 55 7.861 -14.802 -0.083 1.00 44.22 H new ATOM 0 HB1 ALA B 55 7.067 -13.162 -1.755 1.00 74.05 H new ATOM 0 HB2 ALA B 55 6.559 -12.723 -0.106 1.00 74.05 H new ATOM 0 HB3 ALA B 55 7.916 -11.867 -0.876 1.00 74.05 H new ATOM 1864 N GLU B 56 10.631 -13.332 -0.954 1.00 53.24 N ATOM 1865 CA GLU B 56 11.811 -13.447 -1.803 1.00 54.32 C ATOM 1866 C GLU B 56 12.615 -14.694 -1.450 1.00 23.51 C ATOM 1867 O GLU B 56 13.356 -15.221 -2.278 1.00 23.14 O ATOM 1868 CB GLU B 56 12.691 -12.202 -1.661 1.00 25.13 C ATOM 1869 CG GLU B 56 14.065 -12.354 -2.292 1.00 70.02 C ATOM 1870 CD GLU B 56 14.965 -11.165 -2.021 1.00 32.25 C ATOM 1871 OE1 GLU B 56 14.677 -10.407 -1.070 1.00 3.12 O ATOM 1872 OE2 GLU B 56 15.958 -10.991 -2.759 1.00 43.24 O ATOM 0 H GLU B 56 10.716 -12.646 -0.203 1.00 53.24 H new ATOM 0 HA GLU B 56 11.477 -13.532 -2.837 1.00 54.32 H new ATOM 0 HB2 GLU B 56 12.182 -11.353 -2.118 1.00 25.13 H new ATOM 0 HB3 GLU B 56 12.810 -11.970 -0.603 1.00 25.13 H new ATOM 0 HG2 GLU B 56 14.539 -13.258 -1.909 1.00 70.02 H new ATOM 0 HG3 GLU B 56 13.954 -12.483 -3.369 1.00 70.02 H new ATOM 1880 N GLU B 57 12.463 -15.159 -0.214 1.00 23.34 N ATOM 1881 CA GLU B 57 13.176 -16.344 0.249 1.00 24.14 C ATOM 1882 C GLU B 57 12.733 -17.583 -0.525 1.00 33.11 C ATOM 1883 O GLU B 57 13.562 -18.356 -1.006 1.00 0.04 O ATOM 1884 CB GLU B 57 12.942 -16.555 1.746 1.00 31.41 C ATOM 1885 CG GLU B 57 13.671 -17.763 2.312 1.00 44.13 C ATOM 1886 CD GLU B 57 15.171 -17.558 2.387 1.00 52.23 C ATOM 1887 OE1 GLU B 57 15.617 -16.741 3.221 1.00 43.52 O ATOM 1888 OE2 GLU B 57 15.900 -18.212 1.614 1.00 31.35 O ATOM 0 H GLU B 57 11.853 -14.734 0.484 1.00 23.34 H new ATOM 0 HA GLU B 57 14.240 -16.188 0.073 1.00 24.14 H new ATOM 0 HB2 GLU B 57 13.262 -15.663 2.284 1.00 31.41 H new ATOM 0 HB3 GLU B 57 11.873 -16.669 1.926 1.00 31.41 H new ATOM 0 HG2 GLU B 57 13.288 -17.979 3.309 1.00 44.13 H new ATOM 0 HG3 GLU B 57 13.458 -18.634 1.693 1.00 44.13 H new ATOM 1896 N ARG B 58 11.422 -17.765 -0.640 1.00 12.31 N ATOM 1897 CA ARG B 58 10.869 -18.909 -1.353 1.00 10.13 C ATOM 1898 C ARG B 58 10.943 -18.697 -2.863 1.00 44.25 C ATOM 1899 O ARG B 58 11.082 -19.651 -3.629 1.00 61.32 O ATOM 1900 CB ARG B 58 9.418 -19.147 -0.932 1.00 23.20 C ATOM 1901 CG ARG B 58 8.596 -17.873 -0.833 1.00 55.33 C ATOM 1902 CD ARG B 58 8.176 -17.590 0.602 1.00 33.23 C ATOM 1903 NE ARG B 58 9.278 -17.781 1.541 1.00 51.24 N ATOM 1904 CZ ARG B 58 9.172 -17.574 2.849 1.00 51.32 C ATOM 1905 NH1 ARG B 58 8.020 -17.173 3.370 1.00 31.13 N ATOM 1906 NH2 ARG B 58 10.219 -17.769 3.640 1.00 73.13 N ATOM 0 H ARG B 58 10.723 -17.134 -0.248 1.00 12.31 H new ATOM 0 HA ARG B 58 11.463 -19.786 -1.097 1.00 10.13 H new ATOM 0 HB2 ARG B 58 8.946 -19.819 -1.649 1.00 23.20 H new ATOM 0 HB3 ARG B 58 9.407 -19.652 0.034 1.00 23.20 H new ATOM 0 HG2 ARG B 58 9.177 -17.034 -1.215 1.00 55.33 H new ATOM 0 HG3 ARG B 58 7.710 -17.961 -1.462 1.00 55.33 H new ATOM 0 HD2 ARG B 58 7.808 -16.567 0.677 1.00 33.23 H new ATOM 0 HD3 ARG B 58 7.349 -18.246 0.874 1.00 33.23 H new ATOM 0 HE ARG B 58 10.178 -18.090 1.173 1.00 51.24 H new ATOM 0 HH11 ARG B 58 7.212 -17.023 2.766 1.00 31.13 H new ATOM 0 HH12 ARG B 58 7.942 -17.015 4.375 1.00 31.13 H new ATOM 0 HH21 ARG B 58 11.107 -18.078 3.244 1.00 73.13 H new ATOM 0 HH22 ARG B 58 10.136 -17.610 4.644 1.00 73.13 H new ATOM 1920 N LEU B 59 10.848 -17.440 -3.283 1.00 62.01 N ATOM 1921 CA LEU B 59 10.904 -17.102 -4.702 1.00 74.44 C ATOM 1922 C LEU B 59 12.317 -17.278 -5.247 1.00 14.24 C ATOM 1923 O LEU B 59 12.543 -18.053 -6.177 1.00 24.12 O ATOM 1924 CB LEU B 59 10.435 -15.663 -4.921 1.00 54.33 C ATOM 1925 CG LEU B 59 8.987 -15.491 -5.382 1.00 21.23 C ATOM 1926 CD1 LEU B 59 8.056 -16.362 -4.552 1.00 32.50 C ATOM 1927 CD2 LEU B 59 8.571 -14.030 -5.297 1.00 12.43 C ATOM 0 H LEU B 59 10.732 -16.639 -2.663 1.00 62.01 H new ATOM 0 HA LEU B 59 10.241 -17.779 -5.240 1.00 74.44 H new ATOM 0 HB2 LEU B 59 10.566 -15.114 -3.989 1.00 54.33 H new ATOM 0 HB3 LEU B 59 11.088 -15.198 -5.660 1.00 54.33 H new ATOM 0 HG LEU B 59 8.916 -15.808 -6.422 1.00 21.23 H new ATOM 0 HD11 LEU B 59 7.030 -16.227 -4.894 1.00 32.50 H new ATOM 0 HD12 LEU B 59 8.341 -17.408 -4.664 1.00 32.50 H new ATOM 0 HD13 LEU B 59 8.129 -16.076 -3.503 1.00 32.50 H new ATOM 0 HD21 LEU B 59 7.538 -13.926 -5.629 1.00 12.43 H new ATOM 0 HD22 LEU B 59 8.657 -13.686 -4.266 1.00 12.43 H new ATOM 0 HD23 LEU B 59 9.219 -13.429 -5.935 1.00 12.43 H new ATOM 1939 N LYS B 60 13.266 -16.555 -4.664 1.00 52.34 N ATOM 1940 CA LYS B 60 14.659 -16.633 -5.088 1.00 55.32 C ATOM 1941 C LYS B 60 15.575 -16.906 -3.901 1.00 73.35 C ATOM 1942 O LYS B 60 15.115 -17.049 -2.767 1.00 1.13 O ATOM 1943 CB LYS B 60 15.076 -15.332 -5.779 1.00 14.13 C ATOM 1944 CG LYS B 60 14.356 -14.104 -5.250 1.00 14.00 C ATOM 1945 CD LYS B 60 13.167 -13.736 -6.121 1.00 2.20 C ATOM 1946 CE LYS B 60 13.395 -12.421 -6.851 1.00 33.55 C ATOM 1947 NZ LYS B 60 12.530 -12.297 -8.056 1.00 62.21 N ATOM 0 H LYS B 60 13.096 -15.907 -3.895 1.00 52.34 H new ATOM 0 HA LYS B 60 14.752 -17.459 -5.793 1.00 55.32 H new ATOM 0 HB2 LYS B 60 16.150 -15.194 -5.657 1.00 14.13 H new ATOM 0 HB3 LYS B 60 14.886 -15.422 -6.849 1.00 14.13 H new ATOM 0 HG2 LYS B 60 14.018 -14.291 -4.231 1.00 14.00 H new ATOM 0 HG3 LYS B 60 15.050 -13.265 -5.207 1.00 14.00 H new ATOM 0 HD2 LYS B 60 12.987 -14.529 -6.846 1.00 2.20 H new ATOM 0 HD3 LYS B 60 12.272 -13.660 -5.503 1.00 2.20 H new ATOM 0 HE2 LYS B 60 13.195 -11.591 -6.174 1.00 33.55 H new ATOM 0 HE3 LYS B 60 14.442 -12.347 -7.146 1.00 33.55 H new ATOM 0 HZ1 LYS B 60 12.716 -11.387 -8.525 1.00 62.21 H new ATOM 0 HZ2 LYS B 60 12.738 -13.075 -8.714 1.00 62.21 H new ATOM 0 HZ3 LYS B 60 11.531 -12.342 -7.772 1.00 62.21 H new ATOM 1961 N LYS B 61 16.876 -16.977 -4.166 1.00 61.01 N ATOM 1962 CA LYS B 61 17.859 -17.230 -3.120 1.00 41.11 C ATOM 1963 C LYS B 61 18.273 -15.931 -2.435 1.00 44.51 C ATOM 1964 O LYS B 61 19.332 -15.375 -2.727 1.00 41.14 O ATOM 1965 CB LYS B 61 19.090 -17.926 -3.705 1.00 70.04 C ATOM 1966 CG LYS B 61 19.936 -18.641 -2.666 1.00 52.20 C ATOM 1967 CD LYS B 61 20.818 -19.703 -3.300 1.00 41.41 C ATOM 1968 CE LYS B 61 22.207 -19.715 -2.682 1.00 33.22 C ATOM 1969 NZ LYS B 61 22.680 -21.101 -2.407 1.00 15.31 N ATOM 0 H LYS B 61 17.274 -16.863 -5.098 1.00 61.01 H new ATOM 0 HA LYS B 61 17.400 -17.882 -2.376 1.00 41.11 H new ATOM 0 HB2 LYS B 61 18.767 -18.646 -4.456 1.00 70.04 H new ATOM 0 HB3 LYS B 61 19.706 -17.187 -4.217 1.00 70.04 H new ATOM 0 HG2 LYS B 61 20.558 -17.916 -2.141 1.00 52.20 H new ATOM 0 HG3 LYS B 61 19.287 -19.103 -1.922 1.00 52.20 H new ATOM 0 HD2 LYS B 61 20.356 -20.682 -3.177 1.00 41.41 H new ATOM 0 HD3 LYS B 61 20.897 -19.520 -4.372 1.00 41.41 H new ATOM 0 HE2 LYS B 61 22.908 -19.219 -3.354 1.00 33.22 H new ATOM 0 HE3 LYS B 61 22.196 -19.144 -1.754 1.00 33.22 H new ATOM 0 HZ1 LYS B 61 23.630 -21.066 -1.986 1.00 15.31 H new ATOM 0 HZ2 LYS B 61 22.026 -21.566 -1.746 1.00 15.31 H new ATOM 0 HZ3 LYS B 61 22.715 -21.639 -3.296 1.00 15.31 H new ATOM 1983 N LEU B 62 17.431 -15.454 -1.525 1.00 33.50 N ATOM 1984 CA LEU B 62 17.710 -14.220 -0.798 1.00 22.22 C ATOM 1985 C LEU B 62 19.096 -14.266 -0.160 1.00 43.51 C ATOM 1986 O LEU B 62 19.220 -14.722 0.976 1.00 73.11 O ATOM 1987 CB LEU B 62 16.648 -13.988 0.278 1.00 14.42 C ATOM 1988 CG LEU B 62 16.479 -12.544 0.753 1.00 75.23 C ATOM 1989 CD1 LEU B 62 15.210 -12.398 1.578 1.00 63.45 C ATOM 1990 CD2 LEU B 62 17.694 -12.102 1.557 1.00 43.02 C ATOM 0 H LEU B 62 16.550 -15.902 -1.273 1.00 33.50 H new ATOM 0 HA LEU B 62 17.684 -13.394 -1.509 1.00 22.22 H new ATOM 0 HB2 LEU B 62 15.689 -14.338 -0.104 1.00 14.42 H new ATOM 0 HB3 LEU B 62 16.892 -14.607 1.141 1.00 14.42 H new ATOM 0 HG LEU B 62 16.394 -11.901 -0.123 1.00 75.23 H new ATOM 0 HD11 LEU B 62 15.107 -11.364 1.907 1.00 63.45 H new ATOM 0 HD12 LEU B 62 14.348 -12.673 0.971 1.00 63.45 H new ATOM 0 HD13 LEU B 62 15.265 -13.052 2.448 1.00 63.45 H new ATOM 0 HD21 LEU B 62 17.557 -11.072 1.887 1.00 43.02 H new ATOM 0 HD22 LEU B 62 17.810 -12.749 2.426 1.00 43.02 H new ATOM 0 HD23 LEU B 62 18.586 -12.168 0.934 1.00 43.02 H new