USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 517 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: A 41 MET CE :methyl -150:sc= -0.0212 (180deg=-0.221) USER MOD Set 1.2: A 82 MET CE :methyl -152:sc= -0.0488 (180deg=-0.348) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.635 K(o=0.64,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.061 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.258 (180deg=-0.662) USER MOD Single : A 72 THR OG1 : rot 74:sc= 0.692 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 1:sc= 0.315 USER MOD Single : A 85 THR OG1 : rot 36:sc= 1.12 USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.23) USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= 0.842 (180deg=0.356) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 38 -8.078 5.366 -4.939 1.00 0.00 N ATOM 102 CA LEU A 38 -8.764 6.326 -4.057 1.00 0.00 C ATOM 103 C LEU A 38 -8.271 6.193 -2.613 1.00 0.00 C ATOM 104 O LEU A 38 -7.425 6.972 -2.186 1.00 0.00 O ATOM 105 CB LEU A 38 -10.293 6.170 -4.188 1.00 0.00 C ATOM 106 CG LEU A 38 -10.878 7.025 -5.329 1.00 0.00 C ATOM 107 CD1 LEU A 38 -12.297 6.557 -5.664 1.00 0.00 C ATOM 108 CD2 LEU A 38 -10.959 8.507 -4.948 1.00 0.00 C ATOM 0 HA LEU A 38 -8.518 7.341 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.534 5.122 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.766 6.453 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.212 6.907 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.701 7.168 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.272 5.513 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.930 6.656 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.377 9.074 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.598 8.623 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.960 8.879 -4.720 1.00 0.00 H new ATOM 120 N ILE A 39 -8.722 5.178 -1.866 1.00 0.00 N ATOM 121 CA ILE A 39 -8.358 5.005 -0.445 1.00 0.00 C ATOM 122 C ILE A 39 -6.844 4.864 -0.192 1.00 0.00 C ATOM 123 O ILE A 39 -6.330 5.424 0.775 1.00 0.00 O ATOM 124 CB ILE A 39 -9.189 3.918 0.234 1.00 0.00 C ATOM 125 CG1 ILE A 39 -8.981 2.530 -0.390 1.00 0.00 C ATOM 126 CG2 ILE A 39 -10.673 4.346 0.234 1.00 0.00 C ATOM 127 CD1 ILE A 39 -9.525 1.496 0.579 1.00 0.00 C ATOM 0 H ILE A 39 -9.346 4.454 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.621 5.945 0.039 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.848 3.815 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.495 2.462 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.923 2.353 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.274 3.575 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.781 5.284 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.013 4.481 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.390 0.499 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.990 1.568 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.586 1.678 0.748 1.00 0.00 H new ATOM 139 N VAL A 40 -6.098 4.214 -1.100 1.00 0.00 N ATOM 140 CA VAL A 40 -4.636 4.073 -0.986 1.00 0.00 C ATOM 141 C VAL A 40 -3.912 5.431 -1.004 1.00 0.00 C ATOM 142 O VAL A 40 -2.897 5.596 -0.328 1.00 0.00 O ATOM 143 CB VAL A 40 -4.039 3.134 -2.057 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.756 1.771 -2.041 1.00 0.00 C ATOM 145 CG2 VAL A 40 -4.088 3.684 -3.493 1.00 0.00 C ATOM 0 H VAL A 40 -6.489 3.772 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.468 3.613 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.988 3.038 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.322 1.123 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.638 1.309 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.816 1.915 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.647 2.958 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.124 3.867 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.527 4.617 -3.545 1.00 0.00 H new ATOM 155 N MET A 41 -4.481 6.426 -1.700 1.00 0.00 N ATOM 156 CA MET A 41 -3.959 7.788 -1.819 1.00 0.00 C ATOM 157 C MET A 41 -4.165 8.641 -0.546 1.00 0.00 C ATOM 158 O MET A 41 -3.697 9.771 -0.509 1.00 0.00 O ATOM 159 CB MET A 41 -4.548 8.456 -3.081 1.00 0.00 C ATOM 160 CG MET A 41 -3.636 9.566 -3.637 1.00 0.00 C ATOM 161 SD MET A 41 -4.235 10.446 -5.117 1.00 0.00 S ATOM 162 CE MET A 41 -4.340 9.070 -6.294 1.00 0.00 C ATOM 0 H MET A 41 -5.352 6.295 -2.214 1.00 0.00 H new ATOM 0 HA MET A 41 -2.876 7.722 -1.928 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.705 7.699 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.525 8.877 -2.844 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.471 10.299 -2.848 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.667 9.126 -3.871 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.164 9.441 -7.304 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.588 8.321 -6.046 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.332 8.620 -6.241 1.00 0.00 H new ATOM 172 N ARG A 42 -4.817 8.118 0.504 1.00 0.00 N ATOM 173 CA ARG A 42 -4.980 8.828 1.780 1.00 0.00 C ATOM 174 C ARG A 42 -4.523 8.024 2.973 1.00 0.00 C ATOM 175 O ARG A 42 -3.746 8.558 3.768 1.00 0.00 O ATOM 176 CB ARG A 42 -6.440 9.351 1.950 1.00 0.00 C ATOM 177 CG ARG A 42 -6.816 10.438 0.942 1.00 0.00 C ATOM 178 CD ARG A 42 -8.169 11.040 1.323 1.00 0.00 C ATOM 179 NE ARG A 42 -8.568 12.118 0.417 1.00 0.00 N ATOM 180 CZ ARG A 42 -9.752 12.700 0.342 1.00 0.00 C ATOM 181 NH1 ARG A 42 -10.700 12.470 1.207 1.00 0.00 N ATOM 182 NH2 ARG A 42 -9.940 13.670 -0.502 1.00 0.00 N ATOM 0 H ARG A 42 -5.245 7.192 0.491 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.317 9.692 1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.132 8.515 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.562 9.744 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.052 11.215 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.863 10.017 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.929 10.258 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.120 11.423 2.342 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.854 12.457 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.541 11.820 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.600 12.940 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.176 13.979 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.852 14.123 -0.564 1.00 0.00 H new ATOM 196 N VAL A 43 -5.013 6.790 3.139 1.00 0.00 N ATOM 197 CA VAL A 43 -4.845 6.076 4.437 1.00 0.00 C ATOM 198 C VAL A 43 -3.359 5.848 4.737 1.00 0.00 C ATOM 199 O VAL A 43 -3.007 5.725 5.906 1.00 0.00 O ATOM 200 CB VAL A 43 -5.597 4.721 4.437 1.00 0.00 C ATOM 201 CG1 VAL A 43 -7.088 4.896 4.141 1.00 0.00 C ATOM 202 CG2 VAL A 43 -4.985 3.645 3.525 1.00 0.00 C ATOM 0 H VAL A 43 -5.516 6.267 2.423 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.274 6.705 5.217 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.479 4.347 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.578 3.922 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.537 5.535 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.213 5.355 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.578 2.733 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.980 4.001 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.963 3.437 3.842 1.00 0.00 H new ATOM 212 N ILE A 44 -2.506 5.727 3.719 1.00 0.00 N ATOM 213 CA ILE A 44 -1.046 5.561 3.895 1.00 0.00 C ATOM 214 C ILE A 44 -0.343 6.909 4.105 1.00 0.00 C ATOM 215 O ILE A 44 0.610 7.002 4.877 1.00 0.00 O ATOM 216 CB ILE A 44 -0.497 4.899 2.613 1.00 0.00 C ATOM 217 CG1 ILE A 44 -1.226 3.564 2.360 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.025 4.713 2.762 1.00 0.00 C ATOM 219 CD1 ILE A 44 -0.927 2.942 1.000 1.00 0.00 C ATOM 0 H ILE A 44 -2.800 5.740 2.742 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.858 4.950 4.778 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.678 5.533 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.948 2.856 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.300 3.727 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.424 4.246 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.498 5.684 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.231 4.077 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.477 2.006 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.232 3.629 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.142 2.745 0.917 1.00 0.00 H new ATOM 231 N TRP A 45 -0.778 7.956 3.392 1.00 0.00 N ATOM 232 CA TRP A 45 -0.152 9.283 3.427 1.00 0.00 C ATOM 233 C TRP A 45 -0.178 9.894 4.832 1.00 0.00 C ATOM 234 O TRP A 45 0.703 10.660 5.216 1.00 0.00 O ATOM 235 CB TRP A 45 -0.861 10.198 2.410 1.00 0.00 C ATOM 236 CG TRP A 45 -0.474 11.640 2.534 1.00 0.00 C ATOM 237 CD1 TRP A 45 -1.162 12.569 3.238 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.744 12.306 2.079 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.451 13.750 3.273 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.735 13.649 2.571 1.00 0.00 C ATOM 241 CE3 TRP A 45 1.876 11.903 1.334 1.00 0.00 C ATOM 242 CZ2 TRP A 45 1.792 14.542 2.343 1.00 0.00 C ATOM 243 CZ3 TRP A 45 2.939 12.796 1.092 1.00 0.00 C ATOM 244 CH2 TRP A 45 2.901 14.110 1.595 1.00 0.00 C ATOM 0 H TRP A 45 -1.583 7.904 2.768 1.00 0.00 H new ATOM 0 HA TRP A 45 0.899 9.180 3.156 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.632 9.854 1.402 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.939 10.107 2.541 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.124 12.409 3.703 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.762 14.593 3.757 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.927 10.897 0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.755 15.547 2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.791 12.469 0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.723 14.785 1.407 1.00 0.00 H new ATOM 255 N SER A 46 -1.191 9.523 5.611 1.00 0.00 N ATOM 256 CA SER A 46 -1.388 10.046 6.971 1.00 0.00 C ATOM 257 C SER A 46 -0.384 9.455 7.978 1.00 0.00 C ATOM 258 O SER A 46 -0.041 10.110 8.962 1.00 0.00 O ATOM 259 CB SER A 46 -2.835 9.825 7.403 1.00 0.00 C ATOM 260 OG SER A 46 -3.106 8.445 7.498 1.00 0.00 O ATOM 0 H SER A 46 -1.902 8.851 5.322 1.00 0.00 H new ATOM 0 HA SER A 46 -1.191 11.118 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.013 10.306 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.512 10.288 6.685 1.00 0.00 H new ATOM 0 HG SER A 46 -4.036 8.313 7.777 1.00 0.00 H new ATOM 266 N LEU A 47 0.109 8.234 7.740 1.00 0.00 N ATOM 267 CA LEU A 47 1.279 7.669 8.422 1.00 0.00 C ATOM 268 C LEU A 47 2.561 8.323 7.879 1.00 0.00 C ATOM 269 O LEU A 47 3.331 8.936 8.615 1.00 0.00 O ATOM 270 CB LEU A 47 1.362 6.168 8.171 1.00 0.00 C ATOM 271 CG LEU A 47 0.473 5.304 9.069 1.00 0.00 C ATOM 272 CD1 LEU A 47 -1.025 5.519 8.883 1.00 0.00 C ATOM 273 CD2 LEU A 47 0.810 3.891 8.655 1.00 0.00 C ATOM 0 H LEU A 47 -0.302 7.599 7.055 1.00 0.00 H new ATOM 0 HA LEU A 47 1.180 7.859 9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.097 5.975 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.397 5.851 8.300 1.00 0.00 H new ATOM 0 HG LEU A 47 0.663 5.549 10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.573 4.865 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.273 6.558 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.301 5.289 7.854 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.221 3.189 9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.582 3.758 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.871 3.706 8.824 1.00 0.00 H new ATOM 285 N GLY A 48 2.790 8.110 6.583 1.00 0.00 N ATOM 286 CA GLY A 48 3.947 8.572 5.807 1.00 0.00 C ATOM 287 C GLY A 48 4.857 7.413 5.399 1.00 0.00 C ATOM 288 O GLY A 48 5.360 7.357 4.278 1.00 0.00 O ATOM 0 H GLY A 48 2.135 7.578 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.601 9.094 4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.516 9.291 6.396 1.00 0.00 H new ATOM 292 N GLU A 49 4.988 6.414 6.272 1.00 0.00 N ATOM 293 CA GLU A 49 5.680 5.160 6.042 1.00 0.00 C ATOM 294 C GLU A 49 4.808 4.022 6.601 1.00 0.00 C ATOM 295 O GLU A 49 4.303 4.129 7.718 1.00 0.00 O ATOM 296 CB GLU A 49 7.045 5.202 6.756 1.00 0.00 C ATOM 297 CG GLU A 49 7.843 3.926 6.528 1.00 0.00 C ATOM 298 CD GLU A 49 9.153 3.887 7.330 1.00 0.00 C ATOM 299 OE1 GLU A 49 10.181 4.460 6.855 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.167 3.266 8.401 1.00 0.00 O ATOM 0 H GLU A 49 4.589 6.468 7.209 1.00 0.00 H new ATOM 0 HA GLU A 49 5.851 4.996 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.617 6.057 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.891 5.348 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.230 3.067 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.070 3.831 5.466 1.00 0.00 H new ATOM 307 N ALA A 50 4.618 2.950 5.833 1.00 0.00 N ATOM 308 CA ALA A 50 3.733 1.844 6.204 1.00 0.00 C ATOM 309 C ALA A 50 4.359 0.491 5.850 1.00 0.00 C ATOM 310 O ALA A 50 5.107 0.380 4.882 1.00 0.00 O ATOM 311 CB ALA A 50 2.403 2.065 5.483 1.00 0.00 C ATOM 0 H ALA A 50 5.076 2.823 4.930 1.00 0.00 H new ATOM 0 HA ALA A 50 3.572 1.825 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.714 1.259 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.975 3.018 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.570 2.076 4.406 1.00 0.00 H new ATOM 317 N ARG A 51 4.048 -0.576 6.594 1.00 0.00 N ATOM 318 CA ARG A 51 4.433 -1.950 6.230 1.00 0.00 C ATOM 319 C ARG A 51 3.397 -2.561 5.280 1.00 0.00 C ATOM 320 O ARG A 51 2.277 -2.069 5.167 1.00 0.00 O ATOM 321 CB ARG A 51 4.603 -2.812 7.497 1.00 0.00 C ATOM 322 CG ARG A 51 5.979 -2.696 8.162 1.00 0.00 C ATOM 323 CD ARG A 51 6.338 -1.340 8.777 1.00 0.00 C ATOM 324 NE ARG A 51 7.661 -1.420 9.424 1.00 0.00 N ATOM 325 CZ ARG A 51 8.625 -0.516 9.360 1.00 0.00 C ATOM 326 NH1 ARG A 51 8.400 0.701 8.956 1.00 0.00 N ATOM 327 NH2 ARG A 51 9.806 -0.793 9.838 1.00 0.00 N ATOM 0 H ARG A 51 3.522 -0.515 7.466 1.00 0.00 H new ATOM 0 HA ARG A 51 5.391 -1.921 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.838 -2.528 8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.425 -3.856 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.042 -3.451 8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.737 -2.943 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.346 -0.571 8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.583 -1.050 9.507 1.00 0.00 H new ATOM 0 HE ARG A 51 7.852 -2.256 9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.459 0.980 8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.164 1.375 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.985 -1.704 10.260 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.551 -0.098 9.790 1.00 0.00 H new ATOM 341 N VAL A 52 3.727 -3.646 4.581 1.00 0.00 N ATOM 342 CA VAL A 52 2.783 -4.273 3.620 1.00 0.00 C ATOM 343 C VAL A 52 1.430 -4.751 4.145 1.00 0.00 C ATOM 344 O VAL A 52 0.452 -4.850 3.396 1.00 0.00 O ATOM 345 CB VAL A 52 3.408 -5.399 2.790 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.867 -5.624 3.118 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.730 -6.761 2.870 1.00 0.00 C ATOM 0 H VAL A 52 4.630 -4.116 4.652 1.00 0.00 H new ATOM 0 HA VAL A 52 2.564 -3.405 2.998 1.00 0.00 H new ATOM 0 HB VAL A 52 3.269 -5.015 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.258 -6.433 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.429 -4.712 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.966 -5.890 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.265 -7.471 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.740 -7.112 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.699 -6.675 2.526 1.00 0.00 H new ATOM 357 N ASP A 53 1.415 -5.256 5.355 1.00 0.00 N ATOM 358 CA ASP A 53 0.221 -5.641 6.095 1.00 0.00 C ATOM 359 C ASP A 53 -0.526 -4.440 6.674 1.00 0.00 C ATOM 360 O ASP A 53 -1.737 -4.498 6.846 1.00 0.00 O ATOM 361 CB ASP A 53 0.660 -6.677 7.117 1.00 0.00 C ATOM 362 CG ASP A 53 1.699 -6.212 8.143 1.00 0.00 C ATOM 363 OD1 ASP A 53 2.605 -5.405 7.801 1.00 0.00 O ATOM 364 OD2 ASP A 53 1.723 -6.787 9.243 1.00 0.00 O ATOM 0 H ASP A 53 2.273 -5.420 5.882 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.527 -6.086 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.222 -7.024 7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.066 -7.536 6.583 1.00 0.00 H new ATOM 369 N GLU A 54 0.192 -3.337 6.870 1.00 0.00 N ATOM 370 CA GLU A 54 -0.308 -2.056 7.358 1.00 0.00 C ATOM 371 C GLU A 54 -1.167 -1.382 6.281 1.00 0.00 C ATOM 372 O GLU A 54 -2.335 -1.083 6.501 1.00 0.00 O ATOM 373 CB GLU A 54 0.925 -1.197 7.701 1.00 0.00 C ATOM 374 CG GLU A 54 0.875 -0.466 9.037 1.00 0.00 C ATOM 375 CD GLU A 54 -0.299 0.495 9.192 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.821 0.978 8.148 1.00 0.00 O ATOM 377 OE2 GLU A 54 -0.651 0.719 10.366 1.00 0.00 O ATOM 0 H GLU A 54 1.194 -3.313 6.682 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.938 -2.185 8.238 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.805 -1.840 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.062 -0.460 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.832 -1.204 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.803 0.091 9.166 1.00 0.00 H new ATOM 384 N ILE A 55 -0.643 -1.270 5.058 1.00 0.00 N ATOM 385 CA ILE A 55 -1.389 -0.728 3.899 1.00 0.00 C ATOM 386 C ILE A 55 -2.676 -1.501 3.585 1.00 0.00 C ATOM 387 O ILE A 55 -3.678 -0.902 3.202 1.00 0.00 O ATOM 388 CB ILE A 55 -0.466 -0.670 2.670 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.047 -2.078 2.351 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.715 0.269 2.919 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.255 -2.148 1.448 1.00 0.00 C ATOM 0 H ILE A 55 0.312 -1.551 4.834 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.709 0.279 4.167 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.035 -0.285 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.289 -2.577 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.762 -2.643 1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.353 0.293 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.344 1.273 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.291 -0.089 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.531 -3.191 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.020 -1.685 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.087 -1.619 1.912 1.00 0.00 H new ATOM 403 N TYR A 56 -2.664 -2.829 3.734 1.00 0.00 N ATOM 404 CA TYR A 56 -3.861 -3.648 3.680 1.00 0.00 C ATOM 405 C TYR A 56 -4.795 -3.482 4.874 1.00 0.00 C ATOM 406 O TYR A 56 -6.007 -3.572 4.698 1.00 0.00 O ATOM 407 CB TYR A 56 -3.390 -5.085 3.625 1.00 0.00 C ATOM 408 CG TYR A 56 -4.501 -6.104 3.723 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.561 -6.086 2.799 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.470 -7.053 4.754 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.592 -7.041 2.897 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.506 -8.007 4.866 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.569 -8.004 3.928 1.00 0.00 C ATOM 414 OH TYR A 56 -7.555 -8.939 3.987 1.00 0.00 O ATOM 0 H TYR A 56 -1.810 -3.363 3.897 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.442 -3.341 2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.848 -5.243 2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.683 -5.255 4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.585 -5.342 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.655 -7.055 5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.401 -7.036 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.488 -8.736 5.663 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.399 -9.531 4.752 1.00 0.00 H new ATOM 424 N ALA A 57 -4.260 -3.240 6.069 1.00 0.00 N ATOM 425 CA ALA A 57 -5.072 -3.105 7.284 1.00 0.00 C ATOM 426 C ALA A 57 -6.126 -1.987 7.170 1.00 0.00 C ATOM 427 O ALA A 57 -7.172 -2.039 7.818 1.00 0.00 O ATOM 428 CB ALA A 57 -4.153 -2.862 8.485 1.00 0.00 C ATOM 0 H ALA A 57 -3.258 -3.132 6.226 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.623 -4.035 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.754 -2.761 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.469 -3.703 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.581 -1.948 8.326 1.00 0.00 H new ATOM 434 N GLN A 58 -5.878 -1.021 6.279 1.00 0.00 N ATOM 435 CA GLN A 58 -6.764 0.113 6.049 1.00 0.00 C ATOM 436 C GLN A 58 -7.895 -0.198 5.049 1.00 0.00 C ATOM 437 O GLN A 58 -8.668 0.687 4.684 1.00 0.00 O ATOM 438 CB GLN A 58 -5.922 1.299 5.571 1.00 0.00 C ATOM 439 CG GLN A 58 -4.611 1.587 6.315 1.00 0.00 C ATOM 440 CD GLN A 58 -4.705 1.643 7.824 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.750 1.758 8.440 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.575 1.546 8.457 1.00 0.00 N ATOM 0 H GLN A 58 -5.044 -1.010 5.692 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.261 0.353 6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.683 1.139 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.542 2.194 5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.886 0.820 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.216 2.539 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.704 1.450 7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.558 1.566 9.477 1.00 0.00 H new ATOM 451 N ILE A 59 -7.978 -1.444 4.561 1.00 0.00 N ATOM 452 CA ILE A 59 -8.943 -1.929 3.572 1.00 0.00 C ATOM 453 C ILE A 59 -9.896 -2.955 4.244 1.00 0.00 C ATOM 454 O ILE A 59 -9.680 -4.163 4.139 1.00 0.00 O ATOM 455 CB ILE A 59 -8.146 -2.503 2.380 1.00 0.00 C ATOM 456 CG1 ILE A 59 -7.117 -1.447 1.902 1.00 0.00 C ATOM 457 CG2 ILE A 59 -9.100 -2.911 1.248 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.274 -1.907 0.734 1.00 0.00 C ATOM 0 H ILE A 59 -7.338 -2.178 4.864 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.581 -1.132 3.190 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.608 -3.398 2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.647 -0.537 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.461 -1.189 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.524 -3.314 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.792 -3.670 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.661 -2.039 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.577 -1.117 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.716 -2.799 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.920 -2.137 -0.113 1.00 0.00 H new ATOM 470 N PRO A 60 -11.004 -2.512 4.884 1.00 0.00 N ATOM 471 CA PRO A 60 -11.881 -3.347 5.738 1.00 0.00 C ATOM 472 C PRO A 60 -12.819 -4.316 4.980 1.00 0.00 C ATOM 473 O PRO A 60 -13.691 -4.946 5.579 1.00 0.00 O ATOM 474 CB PRO A 60 -12.667 -2.349 6.599 1.00 0.00 C ATOM 475 CG PRO A 60 -12.751 -1.108 5.717 1.00 0.00 C ATOM 476 CD PRO A 60 -11.407 -1.114 4.994 1.00 0.00 C ATOM 0 HA PRO A 60 -11.268 -4.030 6.326 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.657 -2.729 6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.156 -2.140 7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.586 -1.164 5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.889 -0.202 6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.494 -0.656 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.665 -0.539 5.548 1.00 0.00 H new ATOM 484 N GLN A 61 -12.626 -4.429 3.659 1.00 0.00 N ATOM 485 CA GLN A 61 -13.226 -5.389 2.708 1.00 0.00 C ATOM 486 C GLN A 61 -14.639 -5.077 2.166 1.00 0.00 C ATOM 487 O GLN A 61 -15.150 -5.870 1.383 1.00 0.00 O ATOM 488 CB GLN A 61 -13.076 -6.850 3.174 1.00 0.00 C ATOM 489 CG GLN A 61 -11.609 -7.206 3.451 1.00 0.00 C ATOM 490 CD GLN A 61 -11.356 -8.673 3.165 1.00 0.00 C ATOM 491 OE1 GLN A 61 -11.551 -9.545 3.998 1.00 0.00 O ATOM 492 NE2 GLN A 61 -10.968 -9.010 1.962 1.00 0.00 N ATOM 0 H GLN A 61 -11.988 -3.794 3.180 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.612 -5.244 1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.666 -7.007 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.476 -7.519 2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.956 -6.591 2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.365 -6.984 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.802 -8.290 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.831 -9.993 1.727 1.00 0.00 H new ATOM 501 N GLU A 62 -15.207 -3.891 2.429 1.00 0.00 N ATOM 502 CA GLU A 62 -16.524 -3.417 1.916 1.00 0.00 C ATOM 503 C GLU A 62 -16.733 -3.487 0.383 1.00 0.00 C ATOM 504 O GLU A 62 -17.853 -3.372 -0.105 1.00 0.00 O ATOM 505 CB GLU A 62 -16.732 -1.946 2.316 1.00 0.00 C ATOM 506 CG GLU A 62 -16.658 -1.680 3.823 1.00 0.00 C ATOM 507 CD GLU A 62 -17.013 -0.221 4.162 1.00 0.00 C ATOM 508 OE1 GLU A 62 -16.971 0.662 3.291 1.00 0.00 O ATOM 509 OE2 GLU A 62 -17.319 0.042 5.359 1.00 0.00 O ATOM 0 H GLU A 62 -14.753 -3.201 3.027 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.238 -4.107 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.980 -1.337 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.704 -1.617 1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.340 -2.351 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.654 -1.903 4.183 1.00 0.00 H new ATOM 516 N LEU A 63 -15.646 -3.618 -0.379 1.00 0.00 N ATOM 517 CA LEU A 63 -15.579 -3.667 -1.850 1.00 0.00 C ATOM 518 C LEU A 63 -15.579 -5.094 -2.422 1.00 0.00 C ATOM 519 O LEU A 63 -15.613 -5.304 -3.631 1.00 0.00 O ATOM 520 CB LEU A 63 -14.246 -3.043 -2.271 1.00 0.00 C ATOM 521 CG LEU A 63 -13.859 -1.741 -1.569 1.00 0.00 C ATOM 522 CD1 LEU A 63 -12.461 -1.402 -2.042 1.00 0.00 C ATOM 523 CD2 LEU A 63 -14.859 -0.641 -1.888 1.00 0.00 C ATOM 0 H LEU A 63 -14.720 -3.699 0.041 1.00 0.00 H new ATOM 0 HA LEU A 63 -16.460 -3.147 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.456 -3.774 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -14.279 -2.857 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.873 -1.847 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.132 -0.476 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.780 -2.209 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.464 -1.276 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.565 0.277 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.879 -0.468 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.851 -0.942 -1.550 1.00 0.00 H new ATOM 535 N GLU A 64 -15.378 -6.047 -1.518 1.00 0.00 N ATOM 536 CA GLU A 64 -15.078 -7.475 -1.759 1.00 0.00 C ATOM 537 C GLU A 64 -13.724 -7.712 -2.475 1.00 0.00 C ATOM 538 O GLU A 64 -13.430 -8.784 -3.022 1.00 0.00 O ATOM 539 CB GLU A 64 -16.281 -8.234 -2.347 1.00 0.00 C ATOM 540 CG GLU A 64 -17.474 -8.207 -1.369 1.00 0.00 C ATOM 541 CD GLU A 64 -18.621 -9.137 -1.789 1.00 0.00 C ATOM 542 OE1 GLU A 64 -18.370 -10.149 -2.491 1.00 0.00 O ATOM 543 OE2 GLU A 64 -19.788 -8.859 -1.400 1.00 0.00 O ATOM 0 H GLU A 64 -15.421 -5.838 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.919 -7.933 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.572 -7.784 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.999 -9.266 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.128 -8.493 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.851 -7.187 -1.294 1.00 0.00 H new ATOM 550 N TRP A 65 -12.861 -6.693 -2.395 1.00 0.00 N ATOM 551 CA TRP A 65 -11.439 -6.760 -2.726 1.00 0.00 C ATOM 552 C TRP A 65 -10.726 -7.604 -1.665 1.00 0.00 C ATOM 553 O TRP A 65 -11.183 -7.701 -0.525 1.00 0.00 O ATOM 554 CB TRP A 65 -10.826 -5.356 -2.659 1.00 0.00 C ATOM 555 CG TRP A 65 -11.074 -4.390 -3.774 1.00 0.00 C ATOM 556 CD1 TRP A 65 -12.098 -4.383 -4.660 1.00 0.00 C ATOM 557 CD2 TRP A 65 -10.246 -3.238 -4.109 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.951 -3.314 -5.522 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.815 -2.579 -5.237 1.00 0.00 C ATOM 560 CE3 TRP A 65 -9.069 -2.684 -3.555 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -10.238 -1.435 -5.802 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.485 -1.533 -4.111 1.00 0.00 C ATOM 563 CH2 TRP A 65 -9.064 -0.912 -5.232 1.00 0.00 C ATOM 0 H TRP A 65 -13.148 -5.764 -2.086 1.00 0.00 H new ATOM 0 HA TRP A 65 -11.327 -7.185 -3.723 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -11.178 -4.890 -1.739 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.747 -5.475 -2.564 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.904 -5.101 -4.688 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.601 -3.094 -6.277 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.613 -3.151 -2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.688 -0.962 -6.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.586 -1.123 -3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.606 -0.031 -5.656 1.00 0.00 H new ATOM 574 N SER A 66 -9.540 -8.126 -1.977 1.00 0.00 N ATOM 575 CA SER A 66 -8.707 -8.871 -1.018 1.00 0.00 C ATOM 576 C SER A 66 -7.245 -8.436 -1.088 1.00 0.00 C ATOM 577 O SER A 66 -6.875 -7.576 -1.893 1.00 0.00 O ATOM 578 CB SER A 66 -8.854 -10.373 -1.263 1.00 0.00 C ATOM 579 OG SER A 66 -8.350 -11.098 -0.153 1.00 0.00 O ATOM 0 H SER A 66 -9.123 -8.047 -2.905 1.00 0.00 H new ATOM 0 HA SER A 66 -9.055 -8.646 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.903 -10.622 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.316 -10.657 -2.168 1.00 0.00 H new ATOM 0 HG SER A 66 -8.450 -12.059 -0.317 1.00 0.00 H new ATOM 585 N LEU A 67 -6.392 -9.029 -0.245 1.00 0.00 N ATOM 586 CA LEU A 67 -4.968 -8.761 -0.141 1.00 0.00 C ATOM 587 C LEU A 67 -4.234 -8.800 -1.489 1.00 0.00 C ATOM 588 O LEU A 67 -3.339 -7.984 -1.717 1.00 0.00 O ATOM 589 CB LEU A 67 -4.345 -9.768 0.845 1.00 0.00 C ATOM 590 CG LEU A 67 -3.533 -9.154 1.991 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.473 -10.146 2.408 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.793 -7.876 1.635 1.00 0.00 C ATOM 0 H LEU A 67 -6.700 -9.744 0.413 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.852 -7.741 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.144 -10.373 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.698 -10.444 0.286 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.259 -8.916 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.884 -9.727 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.949 -11.069 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.821 -10.359 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.248 -7.516 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.091 -8.075 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.509 -7.118 1.316 1.00 0.00 H new ATOM 604 N ALA A 68 -4.631 -9.717 -2.375 1.00 0.00 N ATOM 605 CA ALA A 68 -4.093 -9.776 -3.729 1.00 0.00 C ATOM 606 C ALA A 68 -4.263 -8.436 -4.466 1.00 0.00 C ATOM 607 O ALA A 68 -3.328 -7.979 -5.126 1.00 0.00 O ATOM 608 CB ALA A 68 -4.764 -10.930 -4.481 1.00 0.00 C ATOM 0 H ALA A 68 -5.329 -10.433 -2.173 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.020 -9.961 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.368 -10.982 -5.495 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.562 -11.868 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.840 -10.762 -4.520 1.00 0.00 H new ATOM 614 N THR A 69 -5.422 -7.774 -4.317 1.00 0.00 N ATOM 615 CA THR A 69 -5.726 -6.515 -5.007 1.00 0.00 C ATOM 616 C THR A 69 -4.803 -5.368 -4.595 1.00 0.00 C ATOM 617 O THR A 69 -4.226 -4.704 -5.451 1.00 0.00 O ATOM 618 CB THR A 69 -7.171 -6.045 -4.793 1.00 0.00 C ATOM 619 OG1 THR A 69 -8.098 -7.084 -5.039 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.447 -4.909 -5.779 1.00 0.00 C ATOM 0 H THR A 69 -6.175 -8.100 -3.712 1.00 0.00 H new ATOM 0 HA THR A 69 -5.569 -6.753 -6.059 1.00 0.00 H new ATOM 0 HB THR A 69 -7.285 -5.723 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.008 -6.752 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.470 -4.555 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.753 -4.090 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.316 -5.272 -6.798 1.00 0.00 H new ATOM 628 N VAL A 70 -4.636 -5.099 -3.292 1.00 0.00 N ATOM 629 CA VAL A 70 -3.797 -3.981 -2.859 1.00 0.00 C ATOM 630 C VAL A 70 -2.360 -4.135 -3.355 1.00 0.00 C ATOM 631 O VAL A 70 -1.819 -3.181 -3.899 1.00 0.00 O ATOM 632 CB VAL A 70 -3.889 -3.748 -1.339 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.262 -4.835 -0.469 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.148 -2.470 -0.978 1.00 0.00 C ATOM 0 H VAL A 70 -5.064 -5.632 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.187 -3.075 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.960 -3.723 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.381 -4.574 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.755 -5.787 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.201 -4.921 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.212 -2.304 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.102 -2.561 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.598 -1.628 -1.503 1.00 0.00 H new ATOM 644 N LYS A 71 -1.763 -5.328 -3.246 1.00 0.00 N ATOM 645 CA LYS A 71 -0.394 -5.591 -3.711 1.00 0.00 C ATOM 646 C LYS A 71 -0.217 -5.284 -5.188 1.00 0.00 C ATOM 647 O LYS A 71 0.708 -4.561 -5.550 1.00 0.00 O ATOM 648 CB LYS A 71 -0.013 -7.053 -3.444 1.00 0.00 C ATOM 649 CG LYS A 71 0.672 -7.242 -2.110 1.00 0.00 C ATOM 650 CD LYS A 71 -0.386 -7.517 -1.063 1.00 0.00 C ATOM 651 CE LYS A 71 0.156 -7.385 0.339 1.00 0.00 C ATOM 652 NZ LYS A 71 -0.158 -6.051 0.925 1.00 0.00 N ATOM 0 H LYS A 71 -2.217 -6.142 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 71 0.264 -4.927 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.911 -7.670 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.645 -7.404 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.379 -8.070 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.243 -6.351 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.217 -6.824 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.783 -8.522 -1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.267 -8.168 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.236 -7.533 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.004 -6.079 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.462 -5.331 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.151 -5.811 0.730 1.00 0.00 H new ATOM 666 N THR A 72 -1.111 -5.797 -6.033 1.00 0.00 N ATOM 667 CA THR A 72 -1.041 -5.498 -7.474 1.00 0.00 C ATOM 668 C THR A 72 -1.161 -3.995 -7.769 1.00 0.00 C ATOM 669 O THR A 72 -0.474 -3.520 -8.669 1.00 0.00 O ATOM 670 CB THR A 72 -2.010 -6.372 -8.291 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.820 -6.257 -9.681 1.00 0.00 O ATOM 672 CG2 THR A 72 -3.479 -6.081 -8.032 1.00 0.00 C ATOM 0 H THR A 72 -1.879 -6.410 -5.759 1.00 0.00 H new ATOM 0 HA THR A 72 -0.042 -5.773 -7.812 1.00 0.00 H new ATOM 0 HB THR A 72 -1.768 -7.378 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.003 -6.732 -9.940 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.094 -6.739 -8.646 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.704 -6.252 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.694 -5.043 -8.285 1.00 0.00 H new ATOM 680 N LEU A 73 -1.905 -3.220 -6.969 1.00 0.00 N ATOM 681 CA LEU A 73 -2.092 -1.787 -7.129 1.00 0.00 C ATOM 682 C LEU A 73 -0.835 -0.976 -6.743 1.00 0.00 C ATOM 683 O LEU A 73 -0.361 -0.103 -7.477 1.00 0.00 O ATOM 684 CB LEU A 73 -3.293 -1.466 -6.216 1.00 0.00 C ATOM 685 CG LEU A 73 -4.261 -0.432 -6.776 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.343 -0.196 -5.725 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.495 0.839 -7.099 1.00 0.00 C ATOM 0 H LEU A 73 -2.408 -3.596 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.271 -1.511 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.841 -2.388 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.918 -1.110 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.732 -0.774 -7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.055 0.542 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.863 -1.132 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.884 0.171 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.181 1.585 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.031 1.224 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.723 0.621 -7.837 1.00 0.00 H new ATOM 699 N LEU A 74 -0.219 -1.337 -5.616 1.00 0.00 N ATOM 700 CA LEU A 74 1.039 -0.738 -5.149 1.00 0.00 C ATOM 701 C LEU A 74 2.092 -0.727 -6.221 1.00 0.00 C ATOM 702 O LEU A 74 2.698 0.296 -6.492 1.00 0.00 O ATOM 703 CB LEU A 74 1.658 -1.558 -4.022 1.00 0.00 C ATOM 704 CG LEU A 74 0.864 -1.514 -2.737 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.586 -2.392 -1.735 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.729 -0.074 -2.270 1.00 0.00 C ATOM 0 H LEU A 74 -0.580 -2.060 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 74 0.770 0.270 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.751 -2.594 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.667 -1.192 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.150 -1.891 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.043 -2.388 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.641 -3.411 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.594 -2.010 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.156 -0.044 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.720 0.347 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.214 0.509 -3.034 1.00 0.00 H new ATOM 718 N GLY A 75 2.239 -1.884 -6.843 1.00 0.00 N ATOM 719 CA GLY A 75 3.213 -2.138 -7.903 1.00 0.00 C ATOM 720 C GLY A 75 3.069 -1.112 -9.023 1.00 0.00 C ATOM 721 O GLY A 75 4.049 -0.628 -9.578 1.00 0.00 O ATOM 0 H GLY A 75 1.669 -2.700 -6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.222 -2.098 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.070 -3.142 -8.302 1.00 0.00 H new ATOM 725 N ARG A 76 1.831 -0.673 -9.273 1.00 0.00 N ATOM 726 CA ARG A 76 1.520 0.368 -10.254 1.00 0.00 C ATOM 727 C ARG A 76 1.955 1.724 -9.727 1.00 0.00 C ATOM 728 O ARG A 76 2.645 2.428 -10.456 1.00 0.00 O ATOM 729 CB ARG A 76 0.023 0.404 -10.604 1.00 0.00 C ATOM 730 CG ARG A 76 -0.580 -0.959 -10.981 1.00 0.00 C ATOM 731 CD ARG A 76 0.045 -1.573 -12.247 1.00 0.00 C ATOM 732 NE ARG A 76 -0.822 -2.579 -12.908 1.00 0.00 N ATOM 733 CZ ARG A 76 -1.130 -3.805 -12.511 1.00 0.00 C ATOM 734 NH1 ARG A 76 -0.779 -4.269 -11.348 1.00 0.00 N ATOM 735 NH2 ARG A 76 -1.871 -4.587 -13.251 1.00 0.00 N ATOM 0 H ARG A 76 1.008 -1.036 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 76 2.068 0.131 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.526 0.806 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.126 1.094 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.448 -1.649 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.653 -0.844 -11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.268 -0.775 -12.956 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.994 -2.040 -11.984 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.239 -2.286 -13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.247 -3.683 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.036 -5.219 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.222 -4.256 -14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.098 -5.528 -12.930 1.00 0.00 H new ATOM 749 N LEU A 77 1.661 2.053 -8.460 1.00 0.00 N ATOM 750 CA LEU A 77 2.149 3.322 -7.870 1.00 0.00 C ATOM 751 C LEU A 77 3.680 3.454 -7.949 1.00 0.00 C ATOM 752 O LEU A 77 4.228 4.477 -8.367 1.00 0.00 O ATOM 753 CB LEU A 77 1.771 3.429 -6.383 1.00 0.00 C ATOM 754 CG LEU A 77 0.391 2.902 -5.984 1.00 0.00 C ATOM 755 CD1 LEU A 77 0.222 3.073 -4.488 1.00 0.00 C ATOM 756 CD2 LEU A 77 -0.717 3.550 -6.776 1.00 0.00 C ATOM 0 H LEU A 77 1.101 1.477 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 77 1.676 4.112 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.521 2.892 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.832 4.477 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 77 0.324 1.841 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.758 2.702 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.998 2.512 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.304 4.129 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.677 3.144 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.704 4.627 -6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.572 3.348 -7.837 1.00 0.00 H new ATOM 768 N VAL A 78 4.356 2.384 -7.522 1.00 0.00 N ATOM 769 CA VAL A 78 5.838 2.343 -7.417 1.00 0.00 C ATOM 770 C VAL A 78 6.570 2.257 -8.778 1.00 0.00 C ATOM 771 O VAL A 78 7.641 2.843 -8.948 1.00 0.00 O ATOM 772 CB VAL A 78 6.405 1.368 -6.334 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.404 0.652 -5.399 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.276 0.235 -6.888 1.00 0.00 C ATOM 0 H VAL A 78 3.902 1.516 -7.237 1.00 0.00 H new ATOM 0 HA VAL A 78 6.083 3.331 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 78 6.968 2.105 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.948 0.012 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.835 1.394 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.721 0.045 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.625 -0.391 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.690 -0.369 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.133 0.658 -7.412 1.00 0.00 H new ATOM 784 N LYS A 79 5.992 1.598 -9.793 1.00 0.00 N ATOM 785 CA LYS A 79 6.446 1.601 -11.203 1.00 0.00 C ATOM 786 C LYS A 79 6.247 2.906 -11.968 1.00 0.00 C ATOM 787 O LYS A 79 6.705 3.022 -13.104 1.00 0.00 O ATOM 788 CB LYS A 79 5.842 0.408 -11.972 1.00 0.00 C ATOM 789 CG LYS A 79 6.497 -0.939 -11.615 1.00 0.00 C ATOM 790 CD LYS A 79 8.027 -0.916 -11.676 1.00 0.00 C ATOM 791 CE LYS A 79 8.477 -0.353 -13.033 1.00 0.00 C ATOM 792 NZ LYS A 79 9.828 -0.791 -13.444 1.00 0.00 N ATOM 0 H LYS A 79 5.161 1.023 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 79 7.529 1.497 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.774 0.352 -11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.948 0.583 -13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.187 -1.229 -10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.127 -1.705 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.425 -0.304 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.422 -1.922 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.760 -0.655 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.456 0.736 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.063 -0.373 -14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.524 -0.481 -12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.849 -1.828 -13.519 1.00 0.00 H new ATOM 806 N LYS A 80 5.498 3.826 -11.374 1.00 0.00 N ATOM 807 CA LYS A 80 4.979 5.069 -11.987 1.00 0.00 C ATOM 808 C LYS A 80 5.278 6.340 -11.167 1.00 0.00 C ATOM 809 O LYS A 80 4.592 7.352 -11.299 1.00 0.00 O ATOM 810 CB LYS A 80 3.475 4.872 -12.259 1.00 0.00 C ATOM 811 CG LYS A 80 2.991 5.570 -13.545 1.00 0.00 C ATOM 812 CD LYS A 80 1.504 5.311 -13.852 1.00 0.00 C ATOM 813 CE LYS A 80 1.114 3.844 -14.133 1.00 0.00 C ATOM 814 NZ LYS A 80 1.580 3.340 -15.455 1.00 0.00 N ATOM 0 H LYS A 80 5.214 3.732 -10.399 1.00 0.00 H new ATOM 0 HA LYS A 80 5.505 5.244 -12.926 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.263 3.805 -12.331 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.907 5.254 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.155 6.644 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.594 5.227 -14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.912 5.668 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.222 5.912 -14.716 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.527 3.211 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.029 3.750 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.282 2.351 -15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.166 3.920 -16.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.617 3.398 -15.502 1.00 0.00 H new ATOM 828 N GLU A 81 6.302 6.289 -10.313 1.00 0.00 N ATOM 829 CA GLU A 81 6.827 7.443 -9.559 1.00 0.00 C ATOM 830 C GLU A 81 5.815 8.129 -8.602 1.00 0.00 C ATOM 831 O GLU A 81 5.891 9.344 -8.412 1.00 0.00 O ATOM 832 CB GLU A 81 7.520 8.455 -10.511 1.00 0.00 C ATOM 833 CG GLU A 81 8.723 7.899 -11.287 1.00 0.00 C ATOM 834 CD GLU A 81 9.311 8.944 -12.249 1.00 0.00 C ATOM 835 OE1 GLU A 81 9.694 10.057 -11.805 1.00 0.00 O ATOM 836 OE2 GLU A 81 9.390 8.663 -13.469 1.00 0.00 O ATOM 0 H GLU A 81 6.806 5.424 -10.117 1.00 0.00 H new ATOM 0 HA GLU A 81 7.575 7.028 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.783 8.821 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.850 9.314 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.492 7.577 -10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.417 7.017 -11.850 1.00 0.00 H new ATOM 843 N MET A 82 4.850 7.419 -7.978 1.00 0.00 N ATOM 844 CA MET A 82 4.056 7.982 -6.900 1.00 0.00 C ATOM 845 C MET A 82 4.639 7.558 -5.533 1.00 0.00 C ATOM 846 O MET A 82 4.894 8.421 -4.697 1.00 0.00 O ATOM 847 CB MET A 82 2.597 7.565 -7.144 1.00 0.00 C ATOM 848 CG MET A 82 1.847 7.540 -5.824 1.00 0.00 C ATOM 849 SD MET A 82 0.055 7.330 -5.854 1.00 0.00 S ATOM 850 CE MET A 82 -0.433 8.788 -6.815 1.00 0.00 C ATOM 0 H MET A 82 4.613 6.455 -8.213 1.00 0.00 H new ATOM 0 HA MET A 82 4.086 9.071 -6.881 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.119 8.262 -7.832 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.563 6.581 -7.612 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.265 6.734 -5.221 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.063 8.473 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.439 9.094 -6.527 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.264 9.603 -6.619 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.418 8.545 -7.877 1.00 0.00 H new ATOM 860 N LEU A 83 4.886 6.257 -5.309 1.00 0.00 N ATOM 861 CA LEU A 83 5.453 5.710 -4.061 1.00 0.00 C ATOM 862 C LEU A 83 6.793 5.000 -4.309 1.00 0.00 C ATOM 863 O LEU A 83 7.187 4.740 -5.443 1.00 0.00 O ATOM 864 CB LEU A 83 4.481 4.704 -3.384 1.00 0.00 C ATOM 865 CG LEU A 83 3.079 5.194 -2.968 1.00 0.00 C ATOM 866 CD1 LEU A 83 2.522 4.324 -1.841 1.00 0.00 C ATOM 867 CD2 LEU A 83 3.085 6.638 -2.494 1.00 0.00 C ATOM 0 H LEU A 83 4.693 5.538 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 83 5.612 6.563 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.349 3.863 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.974 4.317 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 83 2.453 5.122 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.532 4.683 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.450 3.291 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.186 4.377 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.074 6.933 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.744 6.735 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.441 7.283 -3.297 1.00 0.00 H new ATOM 879 N SER A 84 7.483 4.627 -3.234 1.00 0.00 N ATOM 880 CA SER A 84 8.635 3.720 -3.281 1.00 0.00 C ATOM 881 C SER A 84 8.665 2.821 -2.055 1.00 0.00 C ATOM 882 O SER A 84 7.864 2.948 -1.128 1.00 0.00 O ATOM 883 CB SER A 84 9.948 4.483 -3.396 1.00 0.00 C ATOM 884 OG SER A 84 9.979 5.164 -4.631 1.00 0.00 O ATOM 0 H SER A 84 7.258 4.948 -2.292 1.00 0.00 H new ATOM 0 HA SER A 84 8.522 3.103 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.045 5.191 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.790 3.795 -3.325 1.00 0.00 H new ATOM 0 HG SER A 84 9.145 4.997 -5.117 1.00 0.00 H new ATOM 890 N THR A 85 9.541 1.823 -2.070 1.00 0.00 N ATOM 891 CA THR A 85 9.506 0.773 -1.055 1.00 0.00 C ATOM 892 C THR A 85 10.851 0.064 -0.884 1.00 0.00 C ATOM 893 O THR A 85 11.545 -0.206 -1.862 1.00 0.00 O ATOM 894 CB THR A 85 8.374 -0.191 -1.448 1.00 0.00 C ATOM 895 OG1 THR A 85 8.205 -1.228 -0.530 1.00 0.00 O ATOM 896 CG2 THR A 85 8.561 -0.838 -2.810 1.00 0.00 C ATOM 0 H THR A 85 10.279 1.717 -2.767 1.00 0.00 H new ATOM 0 HA THR A 85 9.311 1.207 -0.074 1.00 0.00 H new ATOM 0 HB THR A 85 7.496 0.454 -1.468 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.373 -0.894 0.376 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.722 -1.503 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.607 -0.065 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.488 -1.411 -2.817 1.00 0.00 H new ATOM 904 N GLU A 86 11.188 -0.260 0.366 1.00 0.00 N ATOM 905 CA GLU A 86 12.398 -1.015 0.760 1.00 0.00 C ATOM 906 C GLU A 86 12.089 -2.090 1.821 1.00 0.00 C ATOM 907 O GLU A 86 11.050 -2.035 2.485 1.00 0.00 O ATOM 908 CB GLU A 86 13.538 -0.074 1.200 1.00 0.00 C ATOM 909 CG GLU A 86 13.267 0.779 2.449 1.00 0.00 C ATOM 910 CD GLU A 86 14.327 1.890 2.606 1.00 0.00 C ATOM 911 OE1 GLU A 86 15.554 1.593 2.560 1.00 0.00 O ATOM 912 OE2 GLU A 86 13.921 3.061 2.745 1.00 0.00 O ATOM 0 H GLU A 86 10.611 0.001 1.166 1.00 0.00 H new ATOM 0 HA GLU A 86 12.748 -1.545 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.428 -0.676 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.770 0.595 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.275 1.226 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.269 0.143 3.334 1.00 0.00 H new ATOM 919 N LYS A 87 12.969 -3.091 1.989 1.00 0.00 N ATOM 920 CA LYS A 87 12.694 -4.298 2.792 1.00 0.00 C ATOM 921 C LYS A 87 13.676 -4.426 3.950 1.00 0.00 C ATOM 922 O LYS A 87 14.888 -4.307 3.786 1.00 0.00 O ATOM 923 CB LYS A 87 12.670 -5.548 1.890 1.00 0.00 C ATOM 924 CG LYS A 87 11.867 -6.719 2.491 1.00 0.00 C ATOM 925 CD LYS A 87 11.594 -7.817 1.448 1.00 0.00 C ATOM 926 CE LYS A 87 12.310 -9.142 1.717 1.00 0.00 C ATOM 927 NZ LYS A 87 11.453 -10.121 2.441 1.00 0.00 N ATOM 0 H LYS A 87 13.899 -3.087 1.569 1.00 0.00 H new ATOM 0 HA LYS A 87 11.705 -4.205 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.242 -5.282 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.694 -5.875 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.417 -7.144 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.921 -6.347 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.520 -8.001 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.893 -7.450 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.630 -9.576 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.210 -8.952 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.980 -11.006 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.182 -9.728 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.597 -10.313 1.882 1.00 0.00 H new ATOM 941 N GLU A 88 13.122 -4.711 5.123 1.00 0.00 N ATOM 942 CA GLU A 88 13.840 -4.663 6.415 1.00 0.00 C ATOM 943 C GLU A 88 13.472 -5.831 7.344 1.00 0.00 C ATOM 944 O GLU A 88 12.296 -6.155 7.522 1.00 0.00 O ATOM 945 CB GLU A 88 13.569 -3.312 7.116 1.00 0.00 C ATOM 946 CG GLU A 88 14.685 -2.276 6.883 1.00 0.00 C ATOM 947 CD GLU A 88 15.921 -2.525 7.770 1.00 0.00 C ATOM 948 OE1 GLU A 88 16.179 -3.701 8.143 1.00 0.00 O ATOM 949 OE2 GLU A 88 16.593 -1.545 8.164 1.00 0.00 O ATOM 0 H GLU A 88 12.145 -4.988 5.217 1.00 0.00 H new ATOM 0 HA GLU A 88 14.904 -4.759 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.624 -2.906 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.456 -3.481 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.984 -2.299 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.296 -1.277 7.081 1.00 0.00 H new ATOM 956 N GLY A 89 14.492 -6.484 7.922 1.00 0.00 N ATOM 957 CA GLY A 89 14.417 -7.710 8.728 1.00 0.00 C ATOM 958 C GLY A 89 13.805 -8.911 7.991 1.00 0.00 C ATOM 959 O GLY A 89 14.511 -9.849 7.616 1.00 0.00 O ATOM 0 H GLY A 89 15.451 -6.148 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.421 -7.975 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.828 -7.508 9.622 1.00 0.00 H new ATOM 963 N ARG A 90 12.490 -8.873 7.760 1.00 0.00 N ATOM 964 CA ARG A 90 11.735 -9.801 6.898 1.00 0.00 C ATOM 965 C ARG A 90 10.628 -9.085 6.109 1.00 0.00 C ATOM 966 O ARG A 90 10.488 -9.371 4.919 1.00 0.00 O ATOM 967 CB ARG A 90 11.157 -10.988 7.705 1.00 0.00 C ATOM 968 CG ARG A 90 12.167 -12.125 7.969 1.00 0.00 C ATOM 969 CD ARG A 90 12.890 -12.055 9.324 1.00 0.00 C ATOM 970 NE ARG A 90 14.103 -12.902 9.316 1.00 0.00 N ATOM 971 CZ ARG A 90 14.451 -13.860 10.160 1.00 0.00 C ATOM 972 NH1 ARG A 90 13.694 -14.250 11.146 1.00 0.00 N ATOM 973 NH2 ARG A 90 15.600 -14.457 10.025 1.00 0.00 N ATOM 0 H ARG A 90 11.891 -8.165 8.185 1.00 0.00 H new ATOM 0 HA ARG A 90 12.445 -10.202 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.787 -10.617 8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.301 -11.395 7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.642 -13.078 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.914 -12.117 7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.163 -11.023 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.218 -12.382 10.117 1.00 0.00 H new ATOM 0 HE ARG A 90 14.760 -12.723 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.785 -13.812 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.010 -14.994 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.230 -14.186 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.870 -15.196 10.674 1.00 0.00 H new ATOM 987 N LYS A 91 9.866 -8.152 6.703 1.00 0.00 N ATOM 988 CA LYS A 91 8.766 -7.415 6.063 1.00 0.00 C ATOM 989 C LYS A 91 9.199 -6.256 5.142 1.00 0.00 C ATOM 990 O LYS A 91 10.313 -5.752 5.230 1.00 0.00 O ATOM 991 CB LYS A 91 7.872 -6.914 7.211 1.00 0.00 C ATOM 992 CG LYS A 91 6.420 -6.738 6.753 1.00 0.00 C ATOM 993 CD LYS A 91 5.428 -7.215 7.816 1.00 0.00 C ATOM 994 CE LYS A 91 5.362 -6.293 9.040 1.00 0.00 C ATOM 995 NZ LYS A 91 4.352 -6.752 10.018 1.00 0.00 N ATOM 0 H LYS A 91 10.005 -7.881 7.677 1.00 0.00 H new ATOM 0 HA LYS A 91 8.244 -8.087 5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.911 -7.621 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.255 -5.964 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.235 -5.688 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.260 -7.295 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.436 -7.288 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.707 -8.218 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.340 -6.254 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.123 -5.279 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.078 -5.959 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.514 -7.104 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.753 -7.516 10.598 1.00 0.00 H new ATOM 1009 N PHE A 92 8.295 -5.834 4.256 1.00 0.00 N ATOM 1010 CA PHE A 92 8.483 -4.718 3.325 1.00 0.00 C ATOM 1011 C PHE A 92 7.865 -3.435 3.896 1.00 0.00 C ATOM 1012 O PHE A 92 6.850 -3.473 4.602 1.00 0.00 O ATOM 1013 CB PHE A 92 7.858 -5.087 1.968 1.00 0.00 C ATOM 1014 CG PHE A 92 8.806 -5.080 0.800 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.456 -3.890 0.461 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.986 -6.229 0.013 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.322 -3.850 -0.642 1.00 0.00 C ATOM 1018 CE2 PHE A 92 9.849 -6.192 -1.100 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.526 -5.000 -1.422 1.00 0.00 C ATOM 0 H PHE A 92 7.380 -6.275 4.163 1.00 0.00 H new ATOM 0 HA PHE A 92 9.547 -4.531 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.415 -6.079 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.046 -4.391 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.291 -2.999 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.463 -7.141 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.833 -2.932 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.991 -7.076 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.200 -4.970 -2.266 1.00 0.00 H new ATOM 1029 N VAL A 93 8.448 -2.295 3.534 1.00 0.00 N ATOM 1030 CA VAL A 93 8.040 -0.942 3.946 1.00 0.00 C ATOM 1031 C VAL A 93 7.810 -0.082 2.715 1.00 0.00 C ATOM 1032 O VAL A 93 8.600 -0.127 1.779 1.00 0.00 O ATOM 1033 CB VAL A 93 9.126 -0.269 4.812 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.773 1.193 5.143 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.319 -1.055 6.114 1.00 0.00 C ATOM 0 H VAL A 93 9.258 -2.282 2.915 1.00 0.00 H new ATOM 0 HA VAL A 93 7.124 -1.034 4.530 1.00 0.00 H new ATOM 0 HB VAL A 93 10.051 -0.270 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.564 1.629 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.674 1.762 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.832 1.225 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.087 -0.573 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.381 -1.077 6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.627 -2.074 5.881 1.00 0.00 H new ATOM 1045 N TYR A 94 6.756 0.727 2.717 1.00 0.00 N ATOM 1046 CA TYR A 94 6.325 1.625 1.655 1.00 0.00 C ATOM 1047 C TYR A 94 6.359 3.076 2.174 1.00 0.00 C ATOM 1048 O TYR A 94 5.694 3.392 3.159 1.00 0.00 O ATOM 1049 CB TYR A 94 4.913 1.196 1.218 1.00 0.00 C ATOM 1050 CG TYR A 94 4.873 -0.164 0.537 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.820 -1.350 1.301 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.950 -0.242 -0.867 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.890 -2.605 0.663 1.00 0.00 C ATOM 1054 CE2 TYR A 94 5.015 -1.495 -1.506 1.00 0.00 C ATOM 1055 CZ TYR A 94 5.017 -2.678 -0.741 1.00 0.00 C ATOM 1056 OH TYR A 94 5.119 -3.886 -1.355 1.00 0.00 O ATOM 0 H TYR A 94 6.134 0.774 3.524 1.00 0.00 H new ATOM 0 HA TYR A 94 6.987 1.574 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.262 1.175 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.509 1.946 0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.726 -1.296 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.959 0.663 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.846 -3.511 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.063 -1.549 -2.584 1.00 0.00 H new ATOM 0 HH TYR A 94 5.198 -3.755 -2.323 1.00 0.00 H new ATOM 1066 N ARG A 95 7.154 3.927 1.517 1.00 0.00 N ATOM 1067 CA ARG A 95 7.327 5.367 1.831 1.00 0.00 C ATOM 1068 C ARG A 95 7.477 6.241 0.569 1.00 0.00 C ATOM 1069 O ARG A 95 7.739 5.696 -0.507 1.00 0.00 O ATOM 1070 CB ARG A 95 8.556 5.538 2.750 1.00 0.00 C ATOM 1071 CG ARG A 95 9.886 5.103 2.116 1.00 0.00 C ATOM 1072 CD ARG A 95 11.067 5.772 2.833 1.00 0.00 C ATOM 1073 NE ARG A 95 12.353 5.286 2.314 1.00 0.00 N ATOM 1074 CZ ARG A 95 12.956 5.624 1.197 1.00 0.00 C ATOM 1075 NH1 ARG A 95 12.526 6.539 0.369 1.00 0.00 N ATOM 1076 NH2 ARG A 95 14.049 5.006 0.894 1.00 0.00 N ATOM 0 H ARG A 95 7.719 3.631 0.721 1.00 0.00 H new ATOM 0 HA ARG A 95 6.424 5.708 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.632 6.585 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.396 4.962 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.985 4.019 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.896 5.369 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.007 6.853 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.006 5.573 3.903 1.00 0.00 H new ATOM 0 HE ARG A 95 12.838 4.601 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.665 7.047 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.051 6.746 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.415 4.283 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.546 5.241 0.035 1.00 0.00 H new ATOM 1090 N PRO A 96 7.351 7.578 0.648 1.00 0.00 N ATOM 1091 CA PRO A 96 7.710 8.462 -0.465 1.00 0.00 C ATOM 1092 C PRO A 96 9.238 8.531 -0.691 1.00 0.00 C ATOM 1093 O PRO A 96 10.031 7.891 0.009 1.00 0.00 O ATOM 1094 CB PRO A 96 7.113 9.826 -0.088 1.00 0.00 C ATOM 1095 CG PRO A 96 7.165 9.824 1.437 1.00 0.00 C ATOM 1096 CD PRO A 96 6.848 8.368 1.770 1.00 0.00 C ATOM 0 HA PRO A 96 7.318 8.097 -1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.692 10.648 -0.509 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.092 9.934 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.144 10.123 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.436 10.509 1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.326 8.068 2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.776 8.222 1.900 1.00 0.00 H new