USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 18 SER OG : rot 180:sc=-0.00961 USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.785 X(o=-0.53,f=-0.18) USER MOD Set 2.2: A 34 THR OG1 : rot -30:sc= 0.255 USER MOD Single : A 1 TRP N :NH3+ -115:sc= 1.12 (180deg=0.511) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.74! USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0243) USER MOD Single : A 11 THR OG1 : rot 32:sc= 0.166 USER MOD Single : A 15 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.612 USER MOD Single : A 27 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.38) USER MOD Single : A 29 GLN : amide:sc= -0.826 K(o=-0.83,f=-0.017) USER MOD Single : A 40 SER OG : rot 180:sc= -0.296 USER MOD Single : A 41 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.3) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.984 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -27:sc= 0.316 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 35:sc= 0.229 USER MOD Single : A 71 MET CE :methyl -145:sc= -0.0452 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.708 0.234 -0.227 1.00 0.00 N ATOM 2 CA TRP A 1 2.445 -0.089 -1.464 1.00 0.00 C ATOM 3 C TRP A 1 3.901 -0.422 -1.134 1.00 0.00 C ATOM 4 O TRP A 1 4.631 0.432 -0.615 1.00 0.00 O ATOM 5 CB TRP A 1 2.390 1.082 -2.481 1.00 0.00 C ATOM 6 CG TRP A 1 1.037 1.368 -3.089 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.181 0.828 -2.752 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.781 2.285 -4.159 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.162 1.350 -3.558 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.595 2.245 -4.428 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.596 3.134 -4.913 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.177 3.022 -5.424 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.018 3.901 -5.905 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.360 3.850 -6.148 1.00 0.00 C ATOM 0 H1 TRP A 1 0.973 -0.483 -0.063 1.00 0.00 H new ATOM 0 H2 TRP A 1 2.367 0.244 0.577 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.263 1.169 -0.322 1.00 0.00 H new ATOM 0 HA TRP A 1 1.967 -0.955 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.741 1.986 -1.983 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.091 0.869 -3.288 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.342 0.101 -1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.153 1.111 -3.516 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.658 3.189 -4.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.238 2.974 -5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.639 4.551 -6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.786 4.474 -6.919 1.00 0.00 H new ATOM 27 N ARG A 2 4.295 -1.672 -1.430 1.00 0.00 N ATOM 28 CA ARG A 2 5.677 -2.147 -1.306 1.00 0.00 C ATOM 29 C ARG A 2 6.470 -1.755 -2.569 1.00 0.00 C ATOM 30 O ARG A 2 6.589 -2.536 -3.520 1.00 0.00 O ATOM 31 CB ARG A 2 5.692 -3.681 -1.079 1.00 0.00 C ATOM 32 CG ARG A 2 4.974 -4.138 0.210 1.00 0.00 C ATOM 33 CD ARG A 2 5.173 -5.638 0.491 1.00 0.00 C ATOM 34 NE ARG A 2 6.589 -5.958 0.782 1.00 0.00 N ATOM 35 CZ ARG A 2 7.358 -6.838 0.121 1.00 0.00 C ATOM 36 NH1 ARG A 2 6.911 -7.458 -0.958 1.00 0.00 N ATOM 37 NH2 ARG A 2 8.594 -7.065 0.539 1.00 0.00 N ATOM 0 H ARG A 2 3.651 -2.388 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 2 6.153 -1.679 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.224 -4.168 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.727 -4.022 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.347 -3.560 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.908 -3.925 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.552 -5.935 1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.839 -6.217 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 2 7.023 -5.462 1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.969 -7.271 -1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.509 -8.124 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.954 -6.573 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.186 -7.732 0.043 1.00 0.00 H new ATOM 51 N VAL A 3 6.960 -0.509 -2.575 1.00 0.00 N ATOM 52 CA VAL A 3 7.670 0.090 -3.719 1.00 0.00 C ATOM 53 C VAL A 3 9.195 0.047 -3.492 1.00 0.00 C ATOM 54 O VAL A 3 9.674 0.245 -2.373 1.00 0.00 O ATOM 55 CB VAL A 3 7.176 1.570 -3.938 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.987 2.319 -5.017 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.662 1.594 -4.269 1.00 0.00 C ATOM 0 H VAL A 3 6.875 0.121 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 3 7.449 -0.488 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 3 7.343 2.101 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.601 3.333 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.035 2.359 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.898 1.795 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.338 2.624 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.479 1.022 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.102 1.153 -3.444 1.00 0.00 H new ATOM 67 N ARG A 4 9.936 -0.214 -4.582 1.00 0.00 N ATOM 68 CA ARG A 4 11.404 -0.320 -4.571 1.00 0.00 C ATOM 69 C ARG A 4 12.048 1.079 -4.624 1.00 0.00 C ATOM 70 O ARG A 4 11.625 1.936 -5.407 1.00 0.00 O ATOM 71 CB ARG A 4 11.897 -1.160 -5.782 1.00 0.00 C ATOM 72 CG ARG A 4 11.354 -2.602 -5.836 1.00 0.00 C ATOM 73 CD ARG A 4 11.887 -3.496 -4.703 1.00 0.00 C ATOM 74 NE ARG A 4 11.343 -4.869 -4.793 1.00 0.00 N ATOM 75 CZ ARG A 4 11.560 -5.855 -3.908 1.00 0.00 C ATOM 76 NH1 ARG A 4 12.297 -5.659 -2.830 1.00 0.00 N ATOM 77 NH2 ARG A 4 11.019 -7.044 -4.106 1.00 0.00 N ATOM 0 H ARG A 4 9.528 -0.359 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 4 11.699 -0.815 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.615 -0.646 -6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.986 -1.198 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.265 -2.575 -5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.619 -3.047 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.976 -3.531 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.621 -3.061 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 4 10.753 -5.085 -5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.714 -4.744 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 4 12.449 -6.422 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.439 -7.210 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.181 -7.796 -3.436 1.00 0.00 H new ATOM 91 N CYS A 5 13.073 1.285 -3.793 1.00 0.00 N ATOM 92 CA CYS A 5 13.892 2.504 -3.779 1.00 0.00 C ATOM 93 C CYS A 5 15.307 2.134 -4.235 1.00 0.00 C ATOM 94 O CYS A 5 16.145 1.707 -3.429 1.00 0.00 O ATOM 95 CB CYS A 5 13.899 3.126 -2.365 1.00 0.00 C ATOM 96 SG CYS A 5 15.059 4.496 -2.122 1.00 0.00 S ATOM 0 H CYS A 5 13.364 0.598 -3.098 1.00 0.00 H new ATOM 0 HA CYS A 5 13.479 3.250 -4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 5 12.893 3.480 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.132 2.343 -1.644 1.00 0.00 H new ATOM 0 HG CYS A 5 14.968 4.930 -0.900 1.00 0.00 H new ATOM 102 N LYS A 6 15.528 2.220 -5.554 1.00 0.00 N ATOM 103 CA LYS A 6 16.798 1.854 -6.187 1.00 0.00 C ATOM 104 C LYS A 6 17.797 3.020 -6.093 1.00 0.00 C ATOM 105 O LYS A 6 17.681 4.007 -6.816 1.00 0.00 O ATOM 106 CB LYS A 6 16.561 1.451 -7.664 1.00 0.00 C ATOM 107 CG LYS A 6 17.824 0.953 -8.397 1.00 0.00 C ATOM 108 CD LYS A 6 18.431 -0.314 -7.748 1.00 0.00 C ATOM 109 CE LYS A 6 19.620 -0.880 -8.537 1.00 0.00 C ATOM 110 NZ LYS A 6 20.728 0.100 -8.675 1.00 0.00 N ATOM 0 H LYS A 6 14.824 2.548 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 6 17.221 0.999 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.803 0.668 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.157 2.309 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.575 0.740 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.572 1.746 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.754 -0.077 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.659 -1.079 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.991 -1.775 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.283 -1.185 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.526 -0.346 -9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.398 0.922 -9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.036 0.411 -7.732 1.00 0.00 H new ATOM 124 N ALA A 7 18.779 2.884 -5.205 1.00 0.00 N ATOM 125 CA ALA A 7 19.791 3.919 -4.954 1.00 0.00 C ATOM 126 C ALA A 7 21.197 3.320 -5.026 1.00 0.00 C ATOM 127 O ALA A 7 21.360 2.099 -5.084 1.00 0.00 O ATOM 128 CB ALA A 7 19.537 4.573 -3.583 1.00 0.00 C ATOM 0 H ALA A 7 18.900 2.048 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 7 19.716 4.687 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.290 5.340 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.546 5.028 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.595 3.815 -2.802 1.00 0.00 H new ATOM 170 N THR A 11 19.325 -1.449 -3.264 1.00 0.00 N ATOM 171 CA THR A 11 17.875 -1.505 -3.521 1.00 0.00 C ATOM 172 C THR A 11 17.137 -1.683 -2.182 1.00 0.00 C ATOM 173 O THR A 11 17.523 -2.532 -1.364 1.00 0.00 O ATOM 174 CB THR A 11 17.492 -2.679 -4.478 1.00 0.00 C ATOM 175 OG1 THR A 11 18.354 -2.673 -5.625 1.00 0.00 O ATOM 176 CG2 THR A 11 16.021 -2.588 -4.950 1.00 0.00 C ATOM 0 HA THR A 11 17.584 -0.573 -4.006 1.00 0.00 H new ATOM 0 HB THR A 11 17.611 -3.606 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.237 -2.335 -5.368 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.799 -3.424 -5.613 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.358 -2.625 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.868 -1.651 -5.485 1.00 0.00 H new ATOM 184 N HIS A 12 16.090 -0.879 -1.965 1.00 0.00 N ATOM 185 CA HIS A 12 15.316 -0.865 -0.706 1.00 0.00 C ATOM 186 C HIS A 12 13.836 -1.138 -1.000 1.00 0.00 C ATOM 187 O HIS A 12 13.432 -1.204 -2.165 1.00 0.00 O ATOM 188 CB HIS A 12 15.494 0.498 0.003 1.00 0.00 C ATOM 189 CG HIS A 12 16.931 0.878 0.251 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.624 0.520 1.387 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.800 1.591 -0.501 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.853 0.985 1.315 1.00 0.00 C ATOM 193 NE2 HIS A 12 18.983 1.641 0.180 1.00 0.00 N ATOM 0 H HIS A 12 15.749 -0.213 -2.659 1.00 0.00 H new ATOM 0 HA HIS A 12 15.685 -1.649 -0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.023 1.274 -0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.966 0.471 0.956 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.596 2.038 -1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.624 0.852 2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 12 19.830 2.111 -0.139 1.00 0.00 H new ATOM 202 N LEU A 13 13.037 -1.283 0.063 1.00 0.00 N ATOM 203 CA LEU A 13 11.608 -1.596 -0.041 1.00 0.00 C ATOM 204 C LEU A 13 10.854 -0.784 1.029 1.00 0.00 C ATOM 205 O LEU A 13 11.014 -1.023 2.228 1.00 0.00 O ATOM 206 CB LEU A 13 11.414 -3.146 0.118 1.00 0.00 C ATOM 207 CG LEU A 13 10.031 -3.772 -0.286 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.907 -3.432 0.708 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.646 -3.376 -1.724 1.00 0.00 C ATOM 0 H LEU A 13 13.365 -1.186 1.024 1.00 0.00 H new ATOM 0 HA LEU A 13 11.202 -1.319 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.187 -3.639 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.600 -3.398 1.162 1.00 0.00 H new ATOM 0 HG LEU A 13 10.155 -4.854 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.976 -3.892 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.167 -3.812 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.780 -2.351 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.685 -3.822 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.573 -2.291 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.408 -3.735 -2.416 1.00 0.00 H new ATOM 221 N LEU A 14 10.062 0.204 0.576 1.00 0.00 N ATOM 222 CA LEU A 14 9.188 1.022 1.436 1.00 0.00 C ATOM 223 C LEU A 14 7.778 0.410 1.422 1.00 0.00 C ATOM 224 O LEU A 14 7.261 0.106 0.348 1.00 0.00 O ATOM 225 CB LEU A 14 9.121 2.509 0.954 1.00 0.00 C ATOM 226 CG LEU A 14 10.400 3.394 1.141 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.606 2.862 0.341 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.102 4.872 0.777 1.00 0.00 C ATOM 0 H LEU A 14 10.010 0.460 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 14 9.599 1.025 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.867 2.507 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.298 2.995 1.478 1.00 0.00 H new ATOM 0 HG LEU A 14 10.673 3.342 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.466 3.511 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.845 1.852 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.360 2.847 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.003 5.469 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.781 4.933 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.312 5.254 1.424 1.00 0.00 H new ATOM 240 N GLN A 15 7.169 0.234 2.613 1.00 0.00 N ATOM 241 CA GLN A 15 5.804 -0.337 2.750 1.00 0.00 C ATOM 242 C GLN A 15 4.778 0.782 2.979 1.00 0.00 C ATOM 243 O GLN A 15 3.625 0.685 2.531 1.00 0.00 O ATOM 244 CB GLN A 15 5.710 -1.352 3.934 1.00 0.00 C ATOM 245 CG GLN A 15 6.801 -2.441 3.974 1.00 0.00 C ATOM 246 CD GLN A 15 8.159 -1.932 4.474 1.00 0.00 C ATOM 247 OE1 GLN A 15 8.233 -1.012 5.292 1.00 0.00 O ATOM 248 NE2 GLN A 15 9.234 -2.523 3.998 1.00 0.00 N ATOM 0 H GLN A 15 7.602 0.480 3.503 1.00 0.00 H new ATOM 0 HA GLN A 15 5.587 -0.865 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.746 -0.794 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.737 -1.841 3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.467 -3.254 4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.924 -2.857 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.142 -3.282 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.159 -2.223 4.305 1.00 0.00 H new ATOM 257 N GLY A 16 5.220 1.849 3.674 1.00 0.00 N ATOM 258 CA GLY A 16 4.344 2.937 4.120 1.00 0.00 C ATOM 259 C GLY A 16 4.043 3.978 3.042 1.00 0.00 C ATOM 260 O GLY A 16 4.086 5.185 3.304 1.00 0.00 O ATOM 0 H GLY A 16 6.197 1.975 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.404 2.511 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.806 3.435 4.972 1.00 0.00 H new ATOM 264 N LEU A 17 3.739 3.505 1.824 1.00 0.00 N ATOM 265 CA LEU A 17 3.333 4.345 0.693 1.00 0.00 C ATOM 266 C LEU A 17 1.884 4.026 0.319 1.00 0.00 C ATOM 267 O LEU A 17 1.568 2.906 -0.052 1.00 0.00 O ATOM 268 CB LEU A 17 4.275 4.120 -0.517 1.00 0.00 C ATOM 269 CG LEU A 17 5.756 4.566 -0.300 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.640 4.222 -1.514 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.830 6.070 0.024 1.00 0.00 C ATOM 0 H LEU A 17 3.770 2.511 1.596 1.00 0.00 H new ATOM 0 HA LEU A 17 3.404 5.394 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.265 3.060 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.873 4.658 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 17 6.145 4.009 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.662 4.548 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.628 3.145 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.256 4.729 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.870 6.360 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.408 6.641 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.264 6.275 0.933 1.00 0.00 H new ATOM 283 N SER A 18 1.009 5.006 0.491 1.00 0.00 N ATOM 284 CA SER A 18 -0.392 4.946 0.041 1.00 0.00 C ATOM 285 C SER A 18 -0.504 5.550 -1.373 1.00 0.00 C ATOM 286 O SER A 18 0.483 6.059 -1.915 1.00 0.00 O ATOM 287 CB SER A 18 -1.297 5.704 1.045 1.00 0.00 C ATOM 288 OG SER A 18 -2.675 5.496 0.773 1.00 0.00 O ATOM 0 H SER A 18 1.247 5.883 0.954 1.00 0.00 H new ATOM 0 HA SER A 18 -0.724 3.909 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.072 5.373 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.075 6.770 1.002 1.00 0.00 H new ATOM 0 HG SER A 18 -3.215 5.987 1.427 1.00 0.00 H new ATOM 294 N SER A 19 -1.714 5.507 -1.946 1.00 0.00 N ATOM 295 CA SER A 19 -2.003 6.043 -3.289 1.00 0.00 C ATOM 296 C SER A 19 -1.721 7.562 -3.376 1.00 0.00 C ATOM 297 O SER A 19 -1.253 8.062 -4.406 1.00 0.00 O ATOM 298 CB SER A 19 -3.473 5.740 -3.644 1.00 0.00 C ATOM 299 OG SER A 19 -4.353 6.200 -2.626 1.00 0.00 O ATOM 0 H SER A 19 -2.529 5.097 -1.489 1.00 0.00 H new ATOM 0 HA SER A 19 -1.342 5.558 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.727 6.217 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.603 4.667 -3.783 1.00 0.00 H new ATOM 0 HG SER A 19 -5.278 5.997 -2.877 1.00 0.00 H new ATOM 305 N ARG A 20 -2.006 8.283 -2.273 1.00 0.00 N ATOM 306 CA ARG A 20 -1.824 9.748 -2.189 1.00 0.00 C ATOM 307 C ARG A 20 -0.762 10.127 -1.129 1.00 0.00 C ATOM 308 O ARG A 20 -0.983 11.015 -0.295 1.00 0.00 O ATOM 309 CB ARG A 20 -3.187 10.439 -1.898 1.00 0.00 C ATOM 310 CG ARG A 20 -4.243 10.271 -3.017 1.00 0.00 C ATOM 311 CD ARG A 20 -5.567 10.981 -2.693 1.00 0.00 C ATOM 312 NE ARG A 20 -6.506 10.929 -3.833 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.162 11.983 -4.345 1.00 0.00 C ATOM 314 NH1 ARG A 20 -7.041 13.190 -3.816 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.944 11.813 -5.389 1.00 0.00 N ATOM 0 H ARG A 20 -2.369 7.867 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.455 10.104 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.593 10.037 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.014 11.503 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.843 10.665 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.434 9.209 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.026 10.515 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.369 12.020 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.669 10.020 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.441 13.333 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.548 13.977 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.048 10.887 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.446 12.608 -5.785 1.00 0.00 H new ATOM 329 N THR A 21 0.400 9.449 -1.179 1.00 0.00 N ATOM 330 CA THR A 21 1.578 9.855 -0.385 1.00 0.00 C ATOM 331 C THR A 21 2.214 11.081 -1.050 1.00 0.00 C ATOM 332 O THR A 21 2.491 11.056 -2.248 1.00 0.00 O ATOM 333 CB THR A 21 2.627 8.711 -0.280 1.00 0.00 C ATOM 334 OG1 THR A 21 1.999 7.543 0.238 1.00 0.00 O ATOM 335 CG2 THR A 21 3.830 9.075 0.606 1.00 0.00 C ATOM 0 H THR A 21 0.549 8.622 -1.757 1.00 0.00 H new ATOM 0 HA THR A 21 1.251 10.091 0.628 1.00 0.00 H new ATOM 0 HB THR A 21 3.011 8.536 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.413 7.156 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.525 8.236 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.335 9.948 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.484 9.299 1.615 1.00 0.00 H new ATOM 343 N ARG A 22 2.440 12.147 -0.277 1.00 0.00 N ATOM 344 CA ARG A 22 2.924 13.433 -0.825 1.00 0.00 C ATOM 345 C ARG A 22 4.464 13.478 -0.774 1.00 0.00 C ATOM 346 O ARG A 22 5.085 12.507 -0.351 1.00 0.00 O ATOM 347 CB ARG A 22 2.298 14.606 -0.040 1.00 0.00 C ATOM 348 CG ARG A 22 0.762 14.523 0.110 1.00 0.00 C ATOM 349 CD ARG A 22 0.219 15.555 1.107 1.00 0.00 C ATOM 350 NE ARG A 22 0.892 15.444 2.413 1.00 0.00 N ATOM 351 CZ ARG A 22 0.880 16.371 3.375 1.00 0.00 C ATOM 352 NH1 ARG A 22 0.175 17.485 3.242 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.578 16.156 4.476 1.00 0.00 N ATOM 0 H ARG A 22 2.297 12.152 0.733 1.00 0.00 H new ATOM 0 HA ARG A 22 2.619 13.525 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.747 14.644 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.552 15.540 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.295 14.679 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.485 13.522 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.360 16.559 0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.854 15.411 1.235 1.00 0.00 H new ATOM 0 HE ARG A 22 1.411 14.586 2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.370 17.645 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.177 18.182 3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.113 15.294 4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.581 16.852 5.222 1.00 0.00 H new ATOM 367 N LEU A 23 5.060 14.617 -1.204 1.00 0.00 N ATOM 368 CA LEU A 23 6.533 14.822 -1.248 1.00 0.00 C ATOM 369 C LEU A 23 7.177 14.502 0.115 1.00 0.00 C ATOM 370 O LEU A 23 8.067 13.650 0.199 1.00 0.00 O ATOM 371 CB LEU A 23 6.848 16.302 -1.667 1.00 0.00 C ATOM 372 CG LEU A 23 8.348 16.726 -1.996 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.378 18.128 -2.630 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.312 16.710 -0.775 1.00 0.00 C ATOM 0 H LEU A 23 4.531 15.425 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 23 6.957 14.141 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.245 16.527 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.495 16.950 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 23 8.710 15.967 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.409 18.406 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.799 18.122 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.948 18.850 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.309 17.012 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.949 17.403 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.354 15.704 -0.358 1.00 0.00 H new ATOM 386 N ARG A 24 6.704 15.194 1.172 1.00 0.00 N ATOM 387 CA ARG A 24 7.431 15.245 2.464 1.00 0.00 C ATOM 388 C ARG A 24 7.388 13.890 3.208 1.00 0.00 C ATOM 389 O ARG A 24 8.214 13.638 4.084 1.00 0.00 O ATOM 390 CB ARG A 24 6.923 16.421 3.366 1.00 0.00 C ATOM 391 CG ARG A 24 5.681 16.107 4.225 1.00 0.00 C ATOM 392 CD ARG A 24 5.211 17.263 5.116 1.00 0.00 C ATOM 393 NE ARG A 24 4.453 18.282 4.373 1.00 0.00 N ATOM 394 CZ ARG A 24 4.485 19.593 4.628 1.00 0.00 C ATOM 395 NH1 ARG A 24 5.412 20.114 5.417 1.00 0.00 N ATOM 396 NH2 ARG A 24 3.608 20.381 4.041 1.00 0.00 N ATOM 0 H ARG A 24 5.831 15.721 1.161 1.00 0.00 H new ATOM 0 HA ARG A 24 8.478 15.444 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.734 16.725 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.696 17.274 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.863 15.819 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.900 15.246 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.589 16.867 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.077 17.730 5.584 1.00 0.00 H new ATOM 0 HE ARG A 24 3.859 17.964 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.117 19.512 5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.421 21.117 5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.917 19.988 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.620 21.384 4.226 1.00 0.00 H new ATOM 410 N GLU A 25 6.418 13.021 2.844 1.00 0.00 N ATOM 411 CA GLU A 25 6.324 11.634 3.357 1.00 0.00 C ATOM 412 C GLU A 25 7.037 10.645 2.410 1.00 0.00 C ATOM 413 O GLU A 25 7.628 9.681 2.878 1.00 0.00 O ATOM 414 CB GLU A 25 4.843 11.176 3.635 1.00 0.00 C ATOM 415 CG GLU A 25 3.741 11.838 2.804 1.00 0.00 C ATOM 416 CD GLU A 25 3.287 13.205 3.330 1.00 0.00 C ATOM 417 OE1 GLU A 25 2.464 13.260 4.268 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.713 14.225 2.781 1.00 0.00 O ATOM 0 H GLU A 25 5.677 13.261 2.185 1.00 0.00 H new ATOM 0 HA GLU A 25 6.834 11.628 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.786 10.099 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.626 11.354 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.096 11.956 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.879 11.171 2.768 1.00 0.00 H new ATOM 425 N LEU A 26 6.987 10.887 1.084 1.00 0.00 N ATOM 426 CA LEU A 26 7.610 9.981 0.084 1.00 0.00 C ATOM 427 C LEU A 26 9.140 10.112 0.180 1.00 0.00 C ATOM 428 O LEU A 26 9.818 9.204 0.683 1.00 0.00 O ATOM 429 CB LEU A 26 7.053 10.293 -1.354 1.00 0.00 C ATOM 430 CG LEU A 26 7.591 9.469 -2.600 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.860 10.088 -3.224 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.810 7.977 -2.263 1.00 0.00 C ATOM 0 H LEU A 26 6.524 11.699 0.677 1.00 0.00 H new ATOM 0 HA LEU A 26 7.353 8.942 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.971 10.163 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.241 11.348 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 26 6.805 9.526 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.182 9.482 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.642 11.100 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.654 10.119 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.178 7.455 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.540 7.889 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.866 7.533 -1.946 1.00 0.00 H new ATOM 444 N GLN A 27 9.650 11.289 -0.217 1.00 0.00 N ATOM 445 CA GLN A 27 11.090 11.613 -0.171 1.00 0.00 C ATOM 446 C GLN A 27 11.590 11.756 1.284 1.00 0.00 C ATOM 447 O GLN A 27 12.797 11.668 1.540 1.00 0.00 O ATOM 448 CB GLN A 27 11.382 12.893 -1.000 1.00 0.00 C ATOM 449 CG GLN A 27 11.245 12.709 -2.528 1.00 0.00 C ATOM 450 CD GLN A 27 11.640 13.945 -3.347 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.438 15.076 -2.921 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.244 13.732 -4.514 1.00 0.00 N ATOM 0 H GLN A 27 9.074 12.048 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 27 11.640 10.785 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.702 13.682 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.393 13.233 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.865 11.868 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.213 12.447 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.398 12.779 -4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.553 14.522 -5.080 1.00 0.00 H new ATOM 461 N GLY A 28 10.639 11.955 2.215 1.00 0.00 N ATOM 462 CA GLY A 28 10.927 11.988 3.653 1.00 0.00 C ATOM 463 C GLY A 28 11.271 10.612 4.206 1.00 0.00 C ATOM 464 O GLY A 28 12.162 10.487 5.055 1.00 0.00 O ATOM 0 H GLY A 28 9.655 12.096 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.757 12.670 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.063 12.385 4.185 1.00 0.00 H new ATOM 468 N GLN A 29 10.569 9.561 3.708 1.00 0.00 N ATOM 469 CA GLN A 29 10.879 8.162 4.081 1.00 0.00 C ATOM 470 C GLN A 29 12.203 7.762 3.449 1.00 0.00 C ATOM 471 O GLN A 29 13.034 7.180 4.111 1.00 0.00 O ATOM 472 CB GLN A 29 9.776 7.161 3.644 1.00 0.00 C ATOM 473 CG GLN A 29 8.493 7.221 4.480 1.00 0.00 C ATOM 474 CD GLN A 29 7.415 6.256 3.997 1.00 0.00 C ATOM 475 OE1 GLN A 29 7.307 5.127 4.472 1.00 0.00 O ATOM 476 NE2 GLN A 29 6.647 6.670 3.010 1.00 0.00 N ATOM 0 H GLN A 29 9.792 9.657 3.054 1.00 0.00 H new ATOM 0 HA GLN A 29 10.935 8.120 5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.524 7.351 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.180 6.150 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.733 6.996 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.099 8.237 4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.760 7.612 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.939 6.048 2.619 1.00 0.00 H new ATOM 485 N ILE A 30 12.380 8.112 2.163 1.00 0.00 N ATOM 486 CA ILE A 30 13.599 7.803 1.383 1.00 0.00 C ATOM 487 C ILE A 30 14.875 8.342 2.085 1.00 0.00 C ATOM 488 O ILE A 30 15.900 7.654 2.154 1.00 0.00 O ATOM 489 CB ILE A 30 13.476 8.385 -0.077 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.290 7.704 -0.848 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.797 8.259 -0.867 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.000 8.283 -2.225 1.00 0.00 C ATOM 0 H ILE A 30 11.677 8.622 1.628 1.00 0.00 H new ATOM 0 HA ILE A 30 13.693 6.719 1.321 1.00 0.00 H new ATOM 0 HB ILE A 30 13.262 9.450 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.509 6.642 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.389 7.783 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.664 8.673 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.584 8.807 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.076 7.208 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.165 7.747 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.744 9.338 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.882 8.179 -2.857 1.00 0.00 H new ATOM 504 N ALA A 31 14.777 9.560 2.633 1.00 0.00 N ATOM 505 CA ALA A 31 15.859 10.197 3.414 1.00 0.00 C ATOM 506 C ALA A 31 16.196 9.412 4.711 1.00 0.00 C ATOM 507 O ALA A 31 17.307 9.510 5.228 1.00 0.00 O ATOM 508 CB ALA A 31 15.489 11.650 3.717 1.00 0.00 C ATOM 0 H ALA A 31 13.942 10.139 2.550 1.00 0.00 H new ATOM 0 HA ALA A 31 16.765 10.181 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.288 12.117 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.351 12.193 2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.564 11.677 4.293 1.00 0.00 H new ATOM 514 N ALA A 32 15.223 8.648 5.228 1.00 0.00 N ATOM 515 CA ALA A 32 15.406 7.772 6.411 1.00 0.00 C ATOM 516 C ALA A 32 15.860 6.352 5.997 1.00 0.00 C ATOM 517 O ALA A 32 16.604 5.689 6.726 1.00 0.00 O ATOM 518 CB ALA A 32 14.098 7.707 7.216 1.00 0.00 C ATOM 0 H ALA A 32 14.280 8.615 4.841 1.00 0.00 H new ATOM 0 HA ALA A 32 16.191 8.198 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.237 7.063 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.825 8.709 7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.304 7.304 6.588 1.00 0.00 H new ATOM 524 N ILE A 33 15.414 5.915 4.808 1.00 0.00 N ATOM 525 CA ILE A 33 15.614 4.547 4.297 1.00 0.00 C ATOM 526 C ILE A 33 17.048 4.389 3.731 1.00 0.00 C ATOM 527 O ILE A 33 17.865 3.637 4.265 1.00 0.00 O ATOM 528 CB ILE A 33 14.531 4.214 3.188 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.078 4.160 3.778 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.858 2.915 2.434 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.789 3.010 4.729 1.00 0.00 C ATOM 0 H ILE A 33 14.896 6.512 4.163 1.00 0.00 H new ATOM 0 HA ILE A 33 15.492 3.842 5.119 1.00 0.00 H new ATOM 0 HB ILE A 33 14.568 5.034 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.884 5.096 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.372 4.107 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.090 2.726 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.827 3.013 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.890 2.084 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.757 3.073 5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.941 2.063 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.461 3.068 5.585 1.00 0.00 H new ATOM 543 N THR A 34 17.333 5.121 2.645 1.00 0.00 N ATOM 544 CA THR A 34 18.628 5.063 1.931 1.00 0.00 C ATOM 545 C THR A 34 19.521 6.269 2.289 1.00 0.00 C ATOM 546 O THR A 34 20.710 6.300 1.943 1.00 0.00 O ATOM 547 CB THR A 34 18.391 4.986 0.385 1.00 0.00 C ATOM 548 OG1 THR A 34 19.640 4.900 -0.326 1.00 0.00 O ATOM 549 CG2 THR A 34 17.572 6.169 -0.141 1.00 0.00 C ATOM 0 H THR A 34 16.671 5.776 2.230 1.00 0.00 H new ATOM 0 HA THR A 34 19.151 4.161 2.250 1.00 0.00 H new ATOM 0 HB THR A 34 17.814 4.079 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.336 5.370 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.436 6.067 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.598 6.183 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.098 7.099 0.072 1.00 0.00 H new ATOM 557 N GLY A 35 18.931 7.277 2.961 1.00 0.00 N ATOM 558 CA GLY A 35 19.677 8.436 3.456 1.00 0.00 C ATOM 559 C GLY A 35 19.586 9.654 2.551 1.00 0.00 C ATOM 560 O GLY A 35 19.835 10.774 3.008 1.00 0.00 O ATOM 0 H GLY A 35 17.933 7.305 3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.304 8.701 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.725 8.159 3.574 1.00 0.00 H new ATOM 564 N ILE A 36 19.197 9.444 1.279 1.00 0.00 N ATOM 565 CA ILE A 36 19.281 10.489 0.241 1.00 0.00 C ATOM 566 C ILE A 36 18.299 11.639 0.528 1.00 0.00 C ATOM 567 O ILE A 36 17.084 11.414 0.615 1.00 0.00 O ATOM 568 CB ILE A 36 19.008 9.928 -1.205 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.828 8.621 -1.491 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.289 11.011 -2.279 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.312 8.688 -1.188 1.00 0.00 C ATOM 0 H ILE A 36 18.820 8.557 0.945 1.00 0.00 H new ATOM 0 HA ILE A 36 20.304 10.863 0.274 1.00 0.00 H new ATOM 0 HB ILE A 36 17.952 9.661 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.395 7.809 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.703 8.360 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.094 10.600 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.640 11.870 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.331 11.325 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.775 7.730 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.771 9.471 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.458 8.911 -0.131 1.00 0.00 H new ATOM 583 N ALA A 37 18.858 12.862 0.661 1.00 0.00 N ATOM 584 CA ALA A 37 18.088 14.100 0.862 1.00 0.00 C ATOM 585 C ALA A 37 17.089 14.312 -0.292 1.00 0.00 C ATOM 586 O ALA A 37 17.438 14.028 -1.434 1.00 0.00 O ATOM 587 CB ALA A 37 19.049 15.301 0.952 1.00 0.00 C ATOM 0 H ALA A 37 19.866 13.014 0.631 1.00 0.00 H new ATOM 0 HA ALA A 37 17.527 14.015 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.475 16.216 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.730 15.160 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.622 15.378 0.028 1.00 0.00 H new ATOM 593 N PRO A 38 15.840 14.812 -0.009 1.00 0.00 N ATOM 594 CA PRO A 38 14.822 15.118 -1.055 1.00 0.00 C ATOM 595 C PRO A 38 15.355 16.108 -2.126 1.00 0.00 C ATOM 596 O PRO A 38 14.938 16.062 -3.289 1.00 0.00 O ATOM 597 CB PRO A 38 13.640 15.721 -0.245 1.00 0.00 C ATOM 598 CG PRO A 38 14.235 16.122 1.068 1.00 0.00 C ATOM 599 CD PRO A 38 15.309 15.105 1.347 1.00 0.00 C ATOM 0 HA PRO A 38 14.536 14.236 -1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.206 16.578 -0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.841 14.992 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.650 17.129 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.482 16.125 1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.080 15.501 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.907 14.212 1.826 1.00 0.00 H new ATOM 607 N GLY A 39 16.305 16.980 -1.716 1.00 0.00 N ATOM 608 CA GLY A 39 16.970 17.927 -2.626 1.00 0.00 C ATOM 609 C GLY A 39 18.228 17.350 -3.293 1.00 0.00 C ATOM 610 O GLY A 39 19.058 18.098 -3.815 1.00 0.00 O ATOM 0 H GLY A 39 16.627 17.043 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.265 18.232 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.242 18.824 -2.070 1.00 0.00 H new ATOM 614 N SER A 40 18.375 16.017 -3.256 1.00 0.00 N ATOM 615 CA SER A 40 19.472 15.278 -3.920 1.00 0.00 C ATOM 616 C SER A 40 18.903 14.191 -4.856 1.00 0.00 C ATOM 617 O SER A 40 19.633 13.614 -5.669 1.00 0.00 O ATOM 618 CB SER A 40 20.395 14.643 -2.851 1.00 0.00 C ATOM 619 OG SER A 40 20.912 15.623 -1.966 1.00 0.00 O ATOM 0 H SER A 40 17.727 15.408 -2.757 1.00 0.00 H new ATOM 0 HA SER A 40 20.054 15.975 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.838 13.896 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.218 14.123 -3.341 1.00 0.00 H new ATOM 0 HG SER A 40 21.489 15.192 -1.302 1.00 0.00 H new ATOM 625 N GLN A 41 17.590 13.934 -4.743 1.00 0.00 N ATOM 626 CA GLN A 41 16.884 12.889 -5.510 1.00 0.00 C ATOM 627 C GLN A 41 15.668 13.482 -6.223 1.00 0.00 C ATOM 628 O GLN A 41 15.103 14.495 -5.787 1.00 0.00 O ATOM 629 CB GLN A 41 16.416 11.739 -4.572 1.00 0.00 C ATOM 630 CG GLN A 41 15.762 12.232 -3.256 1.00 0.00 C ATOM 631 CD GLN A 41 14.663 11.356 -2.687 1.00 0.00 C ATOM 632 OE1 GLN A 41 13.954 10.665 -3.418 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.484 11.411 -1.371 1.00 0.00 N ATOM 0 H GLN A 41 16.980 14.451 -4.110 1.00 0.00 H new ATOM 0 HA GLN A 41 17.579 12.488 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.703 11.112 -5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.272 11.110 -4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.543 12.335 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.352 13.227 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.092 11.996 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.738 10.869 -0.935 1.00 0.00 H new ATOM 642 N ARG A 42 15.265 12.813 -7.307 1.00 0.00 N ATOM 643 CA ARG A 42 14.014 13.085 -8.029 1.00 0.00 C ATOM 644 C ARG A 42 13.418 11.766 -8.513 1.00 0.00 C ATOM 645 O ARG A 42 14.072 10.712 -8.473 1.00 0.00 O ATOM 646 CB ARG A 42 14.167 14.108 -9.215 1.00 0.00 C ATOM 647 CG ARG A 42 15.335 13.888 -10.217 1.00 0.00 C ATOM 648 CD ARG A 42 16.712 14.275 -9.633 1.00 0.00 C ATOM 649 NE ARG A 42 16.688 15.579 -8.942 1.00 0.00 N ATOM 650 CZ ARG A 42 17.696 16.119 -8.238 1.00 0.00 C ATOM 651 NH1 ARG A 42 18.892 15.543 -8.177 1.00 0.00 N ATOM 652 NH2 ARG A 42 17.488 17.257 -7.599 1.00 0.00 N ATOM 0 H ARG A 42 15.808 12.053 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 42 13.337 13.570 -7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.236 14.106 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.277 15.104 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.356 12.841 -10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.150 14.475 -11.117 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.036 13.504 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.448 14.307 -10.437 1.00 0.00 H new ATOM 0 HE ARG A 42 15.826 16.120 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 42 19.063 14.668 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.639 15.976 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.575 17.709 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.241 17.683 -7.059 1.00 0.00 H new ATOM 666 N ILE A 43 12.167 11.846 -8.971 1.00 0.00 N ATOM 667 CA ILE A 43 11.365 10.682 -9.333 1.00 0.00 C ATOM 668 C ILE A 43 11.756 10.196 -10.731 1.00 0.00 C ATOM 669 O ILE A 43 11.473 10.831 -11.760 1.00 0.00 O ATOM 670 CB ILE A 43 9.828 10.998 -9.209 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.448 11.237 -7.707 1.00 0.00 C ATOM 672 CG2 ILE A 43 8.947 9.893 -9.836 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.786 10.094 -6.759 1.00 0.00 C ATOM 0 H ILE A 43 11.679 12.732 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 43 11.569 9.871 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 43 9.632 11.909 -9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.956 12.137 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.377 11.432 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.896 10.159 -9.724 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.186 9.794 -10.895 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.137 8.946 -9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.483 10.360 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.257 9.194 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.860 9.910 -6.780 1.00 0.00 H new ATOM 685 N LEU A 44 12.491 9.088 -10.704 1.00 0.00 N ATOM 686 CA LEU A 44 12.993 8.367 -11.865 1.00 0.00 C ATOM 687 C LEU A 44 12.429 6.953 -11.789 1.00 0.00 C ATOM 688 O LEU A 44 12.224 6.437 -10.699 1.00 0.00 O ATOM 689 CB LEU A 44 14.543 8.372 -11.815 1.00 0.00 C ATOM 690 CG LEU A 44 15.177 9.791 -11.660 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.641 9.727 -11.202 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.029 10.613 -12.953 1.00 0.00 C ATOM 0 H LEU A 44 12.765 8.648 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 44 12.689 8.826 -12.806 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.870 7.748 -10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.926 7.914 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 44 14.623 10.302 -10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.038 10.738 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.699 9.224 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.228 9.173 -11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.480 11.595 -12.813 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.530 10.097 -13.772 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.972 10.730 -13.191 1.00 0.00 H new ATOM 704 N VAL A 45 12.179 6.334 -12.933 1.00 0.00 N ATOM 705 CA VAL A 45 11.491 5.026 -13.023 1.00 0.00 C ATOM 706 C VAL A 45 12.263 4.083 -13.955 1.00 0.00 C ATOM 707 O VAL A 45 13.117 4.530 -14.724 1.00 0.00 O ATOM 708 CB VAL A 45 9.991 5.198 -13.503 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.059 5.586 -12.330 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.887 6.246 -14.641 1.00 0.00 C ATOM 0 H VAL A 45 12.444 6.717 -13.840 1.00 0.00 H new ATOM 0 HA VAL A 45 11.466 4.584 -12.027 1.00 0.00 H new ATOM 0 HB VAL A 45 9.664 4.233 -13.889 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.038 5.695 -12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.089 4.807 -11.568 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.392 6.529 -11.897 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.847 6.344 -14.951 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.251 7.209 -14.283 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.490 5.923 -15.490 1.00 0.00 H new ATOM 720 N GLY A 46 11.973 2.770 -13.836 1.00 0.00 N ATOM 721 CA GLY A 46 12.617 1.722 -14.636 1.00 0.00 C ATOM 722 C GLY A 46 12.429 1.911 -16.141 1.00 0.00 C ATOM 723 O GLY A 46 13.371 1.729 -16.921 1.00 0.00 O ATOM 0 H GLY A 46 11.281 2.412 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.683 1.704 -14.409 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.213 0.752 -14.345 1.00 0.00 H new ATOM 727 N TYR A 47 11.199 2.285 -16.541 1.00 0.00 N ATOM 728 CA TYR A 47 10.902 2.747 -17.921 1.00 0.00 C ATOM 729 C TYR A 47 11.384 4.220 -18.085 1.00 0.00 C ATOM 730 O TYR A 47 11.554 4.888 -17.069 1.00 0.00 O ATOM 731 CB TYR A 47 9.379 2.580 -18.245 1.00 0.00 C ATOM 732 CG TYR A 47 8.395 3.232 -17.250 1.00 0.00 C ATOM 733 CD1 TYR A 47 7.980 4.561 -17.394 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.876 2.511 -16.168 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.085 5.135 -16.504 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.986 3.084 -15.277 1.00 0.00 C ATOM 737 CZ TYR A 47 6.601 4.390 -15.444 1.00 0.00 C ATOM 738 OH TYR A 47 5.717 4.956 -14.550 1.00 0.00 O ATOM 0 H TYR A 47 10.385 2.278 -15.926 1.00 0.00 H new ATOM 0 HA TYR A 47 11.442 2.132 -18.641 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.192 2.996 -19.235 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.155 1.515 -18.300 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.364 5.150 -18.214 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.177 1.484 -16.025 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.767 6.159 -16.638 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.596 2.505 -14.453 1.00 0.00 H new ATOM 0 HH TYR A 47 5.475 4.296 -13.867 1.00 0.00 H new ATOM 748 N PRO A 48 11.643 4.727 -19.352 1.00 0.00 N ATOM 749 CA PRO A 48 12.150 6.113 -19.615 1.00 0.00 C ATOM 750 C PRO A 48 11.532 7.231 -18.717 1.00 0.00 C ATOM 751 O PRO A 48 10.348 7.553 -18.857 1.00 0.00 O ATOM 752 CB PRO A 48 11.784 6.320 -21.102 1.00 0.00 C ATOM 753 CG PRO A 48 11.940 4.960 -21.709 1.00 0.00 C ATOM 754 CD PRO A 48 11.502 3.972 -20.638 1.00 0.00 C ATOM 0 HA PRO A 48 13.212 6.195 -19.383 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.766 6.692 -21.214 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.443 7.047 -21.577 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.329 4.860 -22.606 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.973 4.781 -22.006 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.474 3.645 -20.796 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.125 3.078 -20.644 1.00 0.00 H new ATOM 762 N PRO A 49 12.316 7.791 -17.735 1.00 0.00 N ATOM 763 CA PRO A 49 11.851 8.905 -16.883 1.00 0.00 C ATOM 764 C PRO A 49 12.093 10.283 -17.535 1.00 0.00 C ATOM 765 O PRO A 49 12.945 10.437 -18.420 1.00 0.00 O ATOM 766 CB PRO A 49 12.701 8.730 -15.612 1.00 0.00 C ATOM 767 CG PRO A 49 14.015 8.200 -16.114 1.00 0.00 C ATOM 768 CD PRO A 49 13.703 7.372 -17.360 1.00 0.00 C ATOM 0 HA PRO A 49 10.777 8.879 -16.701 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.829 9.676 -15.085 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.233 8.037 -14.913 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.697 9.016 -16.352 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.502 7.589 -15.354 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.412 7.576 -18.162 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.755 6.303 -17.152 1.00 0.00 H new ATOM 776 N GLU A 50 11.331 11.276 -17.072 1.00 0.00 N ATOM 777 CA GLU A 50 11.440 12.673 -17.540 1.00 0.00 C ATOM 778 C GLU A 50 12.219 13.537 -16.521 1.00 0.00 C ATOM 779 O GLU A 50 12.301 14.763 -16.685 1.00 0.00 O ATOM 780 CB GLU A 50 10.014 13.237 -17.758 1.00 0.00 C ATOM 781 CG GLU A 50 9.150 12.425 -18.748 1.00 0.00 C ATOM 782 CD GLU A 50 7.708 12.945 -18.836 1.00 0.00 C ATOM 783 OE1 GLU A 50 6.856 12.497 -18.043 1.00 0.00 O ATOM 784 OE2 GLU A 50 7.430 13.823 -19.682 1.00 0.00 O ATOM 0 H GLU A 50 10.615 11.140 -16.358 1.00 0.00 H new ATOM 0 HA GLU A 50 11.992 12.699 -18.479 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.502 13.278 -16.797 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.093 14.262 -18.120 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.606 12.461 -19.737 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.137 11.379 -18.441 1.00 0.00 H new ATOM 791 N CYS A 51 12.811 12.871 -15.495 1.00 0.00 N ATOM 792 CA CYS A 51 13.472 13.531 -14.346 1.00 0.00 C ATOM 793 C CYS A 51 12.490 14.478 -13.641 1.00 0.00 C ATOM 794 O CYS A 51 12.613 15.705 -13.722 1.00 0.00 O ATOM 795 CB CYS A 51 14.779 14.242 -14.776 1.00 0.00 C ATOM 796 SG CYS A 51 16.012 13.135 -15.509 1.00 0.00 S ATOM 0 H CYS A 51 12.841 11.853 -15.445 1.00 0.00 H new ATOM 0 HA CYS A 51 13.765 12.767 -13.626 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.535 15.025 -15.494 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.217 14.732 -13.907 1.00 0.00 H new ATOM 0 HG CYS A 51 17.067 13.819 -15.839 1.00 0.00 H new ATOM 802 N LEU A 52 11.474 13.879 -12.987 1.00 0.00 N ATOM 803 CA LEU A 52 10.345 14.634 -12.426 1.00 0.00 C ATOM 804 C LEU A 52 10.732 15.271 -11.087 1.00 0.00 C ATOM 805 O LEU A 52 11.022 14.563 -10.113 1.00 0.00 O ATOM 806 CB LEU A 52 9.079 13.745 -12.283 1.00 0.00 C ATOM 807 CG LEU A 52 8.482 13.211 -13.635 1.00 0.00 C ATOM 808 CD1 LEU A 52 9.189 11.920 -14.129 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.950 13.036 -13.545 1.00 0.00 C ATOM 0 H LEU A 52 11.416 12.872 -12.836 1.00 0.00 H new ATOM 0 HA LEU A 52 10.099 15.435 -13.124 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.323 12.892 -11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.309 14.317 -11.765 1.00 0.00 H new ATOM 0 HG LEU A 52 8.679 13.972 -14.390 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.738 11.594 -15.066 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.248 12.123 -14.287 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.078 11.135 -13.381 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.570 12.665 -14.497 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.711 12.323 -12.756 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.487 13.996 -13.318 1.00 0.00 H new ATOM 821 N ASP A 53 10.761 16.619 -11.079 1.00 0.00 N ATOM 822 CA ASP A 53 11.050 17.415 -9.892 1.00 0.00 C ATOM 823 C ASP A 53 9.753 17.580 -9.096 1.00 0.00 C ATOM 824 O ASP A 53 8.647 17.465 -9.648 1.00 0.00 O ATOM 825 CB ASP A 53 11.652 18.803 -10.269 1.00 0.00 C ATOM 826 CG ASP A 53 10.650 19.767 -10.943 1.00 0.00 C ATOM 827 OD1 ASP A 53 10.393 19.614 -12.149 1.00 0.00 O ATOM 828 OD2 ASP A 53 10.099 20.665 -10.265 1.00 0.00 O ATOM 0 H ASP A 53 10.581 17.182 -11.911 1.00 0.00 H new ATOM 0 HA ASP A 53 11.797 16.903 -9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.042 19.275 -9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.498 18.650 -10.939 1.00 0.00 H new ATOM 833 N LEU A 54 9.900 17.817 -7.797 1.00 0.00 N ATOM 834 CA LEU A 54 8.785 17.964 -6.858 1.00 0.00 C ATOM 835 C LEU A 54 8.913 19.343 -6.184 1.00 0.00 C ATOM 836 O LEU A 54 9.645 19.497 -5.197 1.00 0.00 O ATOM 837 CB LEU A 54 8.795 16.796 -5.818 1.00 0.00 C ATOM 838 CG LEU A 54 8.667 15.324 -6.367 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.992 14.810 -6.975 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.152 14.360 -5.271 1.00 0.00 C ATOM 0 H LEU A 54 10.814 17.915 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 54 7.828 17.910 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.722 16.862 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.978 16.965 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 54 7.932 15.350 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.854 13.792 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.287 15.455 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.770 14.820 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.074 13.353 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.848 14.358 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.171 14.689 -4.928 1.00 0.00 H new ATOM 852 N SER A 55 8.261 20.361 -6.778 1.00 0.00 N ATOM 853 CA SER A 55 8.349 21.766 -6.316 1.00 0.00 C ATOM 854 C SER A 55 7.383 22.014 -5.145 1.00 0.00 C ATOM 855 O SER A 55 7.744 22.632 -4.135 1.00 0.00 O ATOM 856 CB SER A 55 8.039 22.722 -7.497 1.00 0.00 C ATOM 857 OG SER A 55 6.781 22.419 -8.078 1.00 0.00 O ATOM 0 H SER A 55 7.658 20.236 -7.591 1.00 0.00 H new ATOM 0 HA SER A 55 9.361 21.960 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.042 23.754 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.821 22.640 -8.251 1.00 0.00 H new ATOM 0 HG SER A 55 6.606 23.036 -8.819 1.00 0.00 H new ATOM 863 N ASP A 56 6.142 21.526 -5.320 1.00 0.00 N ATOM 864 CA ASP A 56 5.087 21.563 -4.290 1.00 0.00 C ATOM 865 C ASP A 56 5.330 20.450 -3.255 1.00 0.00 C ATOM 866 O ASP A 56 5.564 19.310 -3.627 1.00 0.00 O ATOM 867 CB ASP A 56 3.692 21.406 -4.959 1.00 0.00 C ATOM 868 CG ASP A 56 2.516 21.319 -3.961 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.498 22.085 -2.969 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.625 20.461 -4.142 1.00 0.00 O ATOM 0 H ASP A 56 5.839 21.090 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 56 5.114 22.523 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.525 22.251 -5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.697 20.508 -5.576 1.00 0.00 H new ATOM 875 N ARG A 57 5.272 20.803 -1.964 1.00 0.00 N ATOM 876 CA ARG A 57 5.472 19.852 -0.838 1.00 0.00 C ATOM 877 C ARG A 57 4.288 18.858 -0.696 1.00 0.00 C ATOM 878 O ARG A 57 4.427 17.784 -0.096 1.00 0.00 O ATOM 879 CB ARG A 57 5.686 20.627 0.505 1.00 0.00 C ATOM 880 CG ARG A 57 4.413 21.259 1.150 1.00 0.00 C ATOM 881 CD ARG A 57 3.756 22.379 0.319 1.00 0.00 C ATOM 882 NE ARG A 57 4.638 23.546 0.160 1.00 0.00 N ATOM 883 CZ ARG A 57 4.429 24.565 -0.692 1.00 0.00 C ATOM 884 NH1 ARG A 57 3.474 24.513 -1.612 1.00 0.00 N ATOM 885 NH2 ARG A 57 5.228 25.613 -0.657 1.00 0.00 N ATOM 0 H ARG A 57 5.085 21.758 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 57 6.366 19.271 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.132 19.943 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.411 21.422 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.678 20.471 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.679 21.660 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.490 21.991 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.829 22.690 0.801 1.00 0.00 H new ATOM 0 HE ARG A 57 5.474 23.585 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.879 23.687 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.335 25.299 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.997 25.646 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.077 26.391 -1.299 1.00 0.00 H new ATOM 899 N ASP A 58 3.127 19.253 -1.234 1.00 0.00 N ATOM 900 CA ASP A 58 1.855 18.511 -1.098 1.00 0.00 C ATOM 901 C ASP A 58 1.623 17.561 -2.307 1.00 0.00 C ATOM 902 O ASP A 58 0.633 16.820 -2.336 1.00 0.00 O ATOM 903 CB ASP A 58 0.700 19.549 -0.943 1.00 0.00 C ATOM 904 CG ASP A 58 -0.639 18.943 -0.487 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.803 18.698 0.733 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.539 18.730 -1.326 1.00 0.00 O ATOM 0 H ASP A 58 3.038 20.107 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 58 1.888 17.873 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.005 20.310 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.551 20.054 -1.897 1.00 0.00 H new ATOM 911 N ILE A 59 2.555 17.576 -3.288 1.00 0.00 N ATOM 912 CA ILE A 59 2.429 16.801 -4.544 1.00 0.00 C ATOM 913 C ILE A 59 2.429 15.272 -4.255 1.00 0.00 C ATOM 914 O ILE A 59 3.344 14.755 -3.607 1.00 0.00 O ATOM 915 CB ILE A 59 3.562 17.209 -5.578 1.00 0.00 C ATOM 916 CG1 ILE A 59 3.213 16.694 -7.007 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.977 16.723 -5.143 1.00 0.00 C ATOM 918 CD1 ILE A 59 4.207 17.078 -8.098 1.00 0.00 C ATOM 0 H ILE A 59 3.413 18.124 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 59 1.470 17.044 -5.003 1.00 0.00 H new ATOM 0 HB ILE A 59 3.598 18.298 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.136 15.607 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.230 17.076 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.712 17.030 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.232 17.162 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.978 15.636 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.874 16.672 -9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.270 18.164 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.189 16.673 -7.854 1.00 0.00 H new ATOM 930 N THR A 60 1.377 14.567 -4.712 1.00 0.00 N ATOM 931 CA THR A 60 1.120 13.158 -4.334 1.00 0.00 C ATOM 932 C THR A 60 1.671 12.159 -5.376 1.00 0.00 C ATOM 933 O THR A 60 2.106 12.553 -6.457 1.00 0.00 O ATOM 934 CB THR A 60 -0.417 12.909 -4.148 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.111 13.055 -5.401 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.036 13.859 -3.104 1.00 0.00 C ATOM 0 H THR A 60 0.682 14.953 -5.351 1.00 0.00 H new ATOM 0 HA THR A 60 1.643 12.989 -3.393 1.00 0.00 H new ATOM 0 HB THR A 60 -0.530 11.887 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.610 13.664 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.102 13.650 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.549 13.708 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.896 14.892 -3.423 1.00 0.00 H new ATOM 944 N LEU A 61 1.597 10.846 -5.039 1.00 0.00 N ATOM 945 CA LEU A 61 1.941 9.739 -5.974 1.00 0.00 C ATOM 946 C LEU A 61 0.906 9.633 -7.117 1.00 0.00 C ATOM 947 O LEU A 61 1.110 8.883 -8.073 1.00 0.00 O ATOM 948 CB LEU A 61 2.044 8.371 -5.235 1.00 0.00 C ATOM 949 CG LEU A 61 2.972 8.315 -3.978 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.147 6.866 -3.461 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.336 8.992 -4.237 1.00 0.00 C ATOM 0 H LEU A 61 1.299 10.524 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 61 2.917 9.977 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.041 8.074 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.394 7.625 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 61 2.476 8.884 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.798 6.868 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.174 6.457 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.592 6.252 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.949 8.930 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.844 8.485 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.179 10.039 -4.498 1.00 0.00 H new ATOM 963 N GLY A 62 -0.221 10.362 -6.980 1.00 0.00 N ATOM 964 CA GLY A 62 -1.190 10.524 -8.064 1.00 0.00 C ATOM 965 C GLY A 62 -0.627 11.342 -9.229 1.00 0.00 C ATOM 966 O GLY A 62 -1.024 11.142 -10.381 1.00 0.00 O ATOM 0 H GLY A 62 -0.476 10.848 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.494 9.542 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.085 11.013 -7.679 1.00 0.00 H new ATOM 970 N ASP A 63 0.314 12.262 -8.922 1.00 0.00 N ATOM 971 CA ASP A 63 0.957 13.131 -9.929 1.00 0.00 C ATOM 972 C ASP A 63 2.194 12.434 -10.516 1.00 0.00 C ATOM 973 O ASP A 63 2.361 12.361 -11.737 1.00 0.00 O ATOM 974 CB ASP A 63 1.369 14.482 -9.291 1.00 0.00 C ATOM 975 CG ASP A 63 0.201 15.206 -8.604 1.00 0.00 C ATOM 976 OD1 ASP A 63 -0.573 15.902 -9.298 1.00 0.00 O ATOM 977 OD2 ASP A 63 0.040 15.061 -7.376 1.00 0.00 O ATOM 0 H ASP A 63 0.648 12.422 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 63 0.242 13.322 -10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.159 14.306 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.786 15.129 -10.063 1.00 0.00 H new ATOM 982 N LEU A 64 3.055 11.924 -9.612 1.00 0.00 N ATOM 983 CA LEU A 64 4.324 11.255 -9.978 1.00 0.00 C ATOM 984 C LEU A 64 4.069 9.770 -10.383 1.00 0.00 C ATOM 985 O LEU A 64 3.112 9.165 -9.905 1.00 0.00 O ATOM 986 CB LEU A 64 5.358 11.340 -8.809 1.00 0.00 C ATOM 987 CG LEU A 64 5.898 12.754 -8.398 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.307 13.595 -9.624 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.914 13.496 -7.477 1.00 0.00 C ATOM 0 H LEU A 64 2.891 11.964 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 64 4.744 11.776 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.902 10.889 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.215 10.721 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 64 6.807 12.594 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.675 14.566 -9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.093 13.078 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.443 13.737 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.325 14.471 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.963 13.630 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.755 12.914 -6.569 1.00 0.00 H new ATOM 1001 N PRO A 65 4.927 9.162 -11.276 1.00 0.00 N ATOM 1002 CA PRO A 65 4.764 7.753 -11.760 1.00 0.00 C ATOM 1003 C PRO A 65 5.218 6.648 -10.754 1.00 0.00 C ATOM 1004 O PRO A 65 5.827 5.646 -11.161 1.00 0.00 O ATOM 1005 CB PRO A 65 5.629 7.761 -13.052 1.00 0.00 C ATOM 1006 CG PRO A 65 6.729 8.721 -12.751 1.00 0.00 C ATOM 1007 CD PRO A 65 6.077 9.828 -11.952 1.00 0.00 C ATOM 0 HA PRO A 65 3.716 7.492 -11.909 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.018 6.768 -13.277 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.048 8.080 -13.918 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.526 8.242 -12.183 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.177 9.107 -13.667 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.770 10.258 -11.229 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.744 10.641 -12.597 1.00 0.00 H new ATOM 1015 N ILE A 66 4.874 6.807 -9.454 1.00 0.00 N ATOM 1016 CA ILE A 66 5.039 5.729 -8.448 1.00 0.00 C ATOM 1017 C ILE A 66 3.816 4.810 -8.551 1.00 0.00 C ATOM 1018 O ILE A 66 2.696 5.233 -8.242 1.00 0.00 O ATOM 1019 CB ILE A 66 5.159 6.227 -6.945 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.443 7.083 -6.682 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.116 5.022 -5.950 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.477 8.440 -7.339 1.00 0.00 C ATOM 0 H ILE A 66 4.481 7.670 -9.077 1.00 0.00 H new ATOM 0 HA ILE A 66 5.981 5.231 -8.676 1.00 0.00 H new ATOM 0 HB ILE A 66 4.298 6.873 -6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.551 7.219 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.310 6.515 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.200 5.391 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.173 4.487 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.945 4.346 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.411 8.943 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.408 8.323 -8.420 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.637 9.037 -6.984 1.00 0.00 H new ATOM 1034 N GLN A 67 4.034 3.579 -9.003 1.00 0.00 N ATOM 1035 CA GLN A 67 2.971 2.569 -9.132 1.00 0.00 C ATOM 1036 C GLN A 67 3.180 1.467 -8.071 1.00 0.00 C ATOM 1037 O GLN A 67 4.213 1.445 -7.376 1.00 0.00 O ATOM 1038 CB GLN A 67 2.971 2.008 -10.583 1.00 0.00 C ATOM 1039 CG GLN A 67 2.914 3.117 -11.668 1.00 0.00 C ATOM 1040 CD GLN A 67 2.747 2.578 -13.093 1.00 0.00 C ATOM 1041 OE1 GLN A 67 3.725 2.314 -13.796 1.00 0.00 O ATOM 1042 NE2 GLN A 67 1.507 2.429 -13.541 1.00 0.00 N ATOM 0 H GLN A 67 4.953 3.246 -9.293 1.00 0.00 H new ATOM 0 HA GLN A 67 1.992 3.012 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.868 1.408 -10.733 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.117 1.342 -10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.086 3.789 -11.444 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.828 3.709 -11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.716 2.655 -12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.345 2.088 -14.489 1.00 0.00 H new ATOM 1051 N SER A 68 2.189 0.575 -7.929 1.00 0.00 N ATOM 1052 CA SER A 68 2.213 -0.499 -6.919 1.00 0.00 C ATOM 1053 C SER A 68 3.318 -1.537 -7.238 1.00 0.00 C ATOM 1054 O SER A 68 3.175 -2.337 -8.173 1.00 0.00 O ATOM 1055 CB SER A 68 0.814 -1.159 -6.838 1.00 0.00 C ATOM 1056 OG SER A 68 0.370 -1.589 -8.116 1.00 0.00 O ATOM 0 H SER A 68 1.349 0.575 -8.508 1.00 0.00 H new ATOM 0 HA SER A 68 2.452 -0.072 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.850 -2.010 -6.158 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.099 -0.449 -6.422 1.00 0.00 H new ATOM 0 HG SER A 68 1.137 -1.901 -8.641 1.00 0.00 H new ATOM 1062 N GLY A 69 4.424 -1.495 -6.464 1.00 0.00 N ATOM 1063 CA GLY A 69 5.564 -2.407 -6.655 1.00 0.00 C ATOM 1064 C GLY A 69 6.523 -1.955 -7.752 1.00 0.00 C ATOM 1065 O GLY A 69 7.301 -2.763 -8.274 1.00 0.00 O ATOM 0 H GLY A 69 4.548 -0.834 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.112 -2.494 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.188 -3.401 -6.898 1.00 0.00 H new ATOM 1069 N ASP A 70 6.467 -0.657 -8.087 1.00 0.00 N ATOM 1070 CA ASP A 70 7.308 -0.042 -9.135 1.00 0.00 C ATOM 1071 C ASP A 70 8.732 0.212 -8.594 1.00 0.00 C ATOM 1072 O ASP A 70 8.946 0.223 -7.376 1.00 0.00 O ATOM 1073 CB ASP A 70 6.647 1.285 -9.609 1.00 0.00 C ATOM 1074 CG ASP A 70 7.175 1.808 -10.958 1.00 0.00 C ATOM 1075 OD1 ASP A 70 8.168 2.564 -10.976 1.00 0.00 O ATOM 1076 OD2 ASP A 70 6.598 1.443 -12.009 1.00 0.00 O ATOM 0 H ASP A 70 5.833 0.004 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 70 7.389 -0.719 -9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.570 1.134 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.807 2.049 -8.848 1.00 0.00 H new ATOM 1081 N MET A 71 9.701 0.398 -9.505 1.00 0.00 N ATOM 1082 CA MET A 71 11.092 0.716 -9.149 1.00 0.00 C ATOM 1083 C MET A 71 11.365 2.203 -9.401 1.00 0.00 C ATOM 1084 O MET A 71 11.357 2.667 -10.553 1.00 0.00 O ATOM 1085 CB MET A 71 12.108 -0.183 -9.921 1.00 0.00 C ATOM 1086 CG MET A 71 13.580 0.281 -9.823 1.00 0.00 C ATOM 1087 SD MET A 71 14.786 -1.038 -10.079 1.00 0.00 S ATOM 1088 CE MET A 71 14.743 -1.859 -8.489 1.00 0.00 C ATOM 0 H MET A 71 9.541 0.332 -10.510 1.00 0.00 H new ATOM 0 HA MET A 71 11.230 0.506 -8.088 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.035 -1.201 -9.539 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.820 -0.215 -10.972 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.753 1.065 -10.560 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.745 0.725 -8.841 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.740 -2.222 -8.240 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.412 -1.156 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.051 -2.700 -8.532 1.00 0.00 H new ATOM 1098 N LEU A 72 11.578 2.937 -8.298 1.00 0.00 N ATOM 1099 CA LEU A 72 11.930 4.360 -8.313 1.00 0.00 C ATOM 1100 C LEU A 72 13.437 4.492 -8.079 1.00 0.00 C ATOM 1101 O LEU A 72 13.926 4.145 -6.998 1.00 0.00 O ATOM 1102 CB LEU A 72 11.115 5.138 -7.232 1.00 0.00 C ATOM 1103 CG LEU A 72 9.644 5.516 -7.612 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.616 6.512 -8.784 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.776 4.279 -7.931 1.00 0.00 C ATOM 0 H LEU A 72 11.509 2.550 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 72 11.679 4.796 -9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.090 4.536 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.653 6.055 -6.992 1.00 0.00 H new ATOM 0 HG LEU A 72 9.209 5.994 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.582 6.758 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.148 7.420 -8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.097 6.064 -9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.766 4.599 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.210 3.737 -8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.739 3.626 -7.059 1.00 0.00 H new ATOM 1117 N ILE A 73 14.163 4.986 -9.100 1.00 0.00 N ATOM 1118 CA ILE A 73 15.620 5.128 -9.045 1.00 0.00 C ATOM 1119 C ILE A 73 15.927 6.444 -8.316 1.00 0.00 C ATOM 1120 O ILE A 73 15.841 7.538 -8.890 1.00 0.00 O ATOM 1121 CB ILE A 73 16.343 5.081 -10.464 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.207 3.668 -11.150 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.848 5.476 -10.337 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.809 3.286 -11.612 1.00 0.00 C ATOM 0 H ILE A 73 13.752 5.295 -9.981 1.00 0.00 H new ATOM 0 HA ILE A 73 16.022 4.267 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 73 15.840 5.809 -11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.874 3.638 -12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.557 2.910 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.319 5.436 -11.319 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.926 6.487 -9.938 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.351 4.781 -9.665 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.834 2.296 -12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.134 3.274 -10.757 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.456 4.013 -12.343 1.00 0.00 H new ATOM 1136 N VAL A 74 16.181 6.312 -7.021 1.00 0.00 N ATOM 1137 CA VAL A 74 16.602 7.407 -6.163 1.00 0.00 C ATOM 1138 C VAL A 74 18.097 7.672 -6.385 1.00 0.00 C ATOM 1139 O VAL A 74 18.957 6.921 -5.904 1.00 0.00 O ATOM 1140 CB VAL A 74 16.299 7.071 -4.660 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.875 8.142 -3.706 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.776 6.883 -4.444 1.00 0.00 C ATOM 0 H VAL A 74 16.098 5.422 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 74 16.044 8.309 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 74 16.798 6.132 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.644 7.873 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.956 8.199 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.431 9.111 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.583 6.651 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.254 7.801 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.418 6.065 -5.069 1.00 0.00 H new ATOM 1152 N GLU A 75 18.395 8.717 -7.157 1.00 0.00 N ATOM 1153 CA GLU A 75 19.778 9.145 -7.386 1.00 0.00 C ATOM 1154 C GLU A 75 20.262 9.974 -6.190 1.00 0.00 C ATOM 1155 O GLU A 75 19.454 10.556 -5.457 1.00 0.00 O ATOM 1156 CB GLU A 75 19.892 9.979 -8.684 1.00 0.00 C ATOM 1157 CG GLU A 75 19.090 11.301 -8.662 1.00 0.00 C ATOM 1158 CD GLU A 75 19.503 12.253 -9.781 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.181 11.978 -10.953 1.00 0.00 O ATOM 1160 OE2 GLU A 75 20.158 13.277 -9.495 1.00 0.00 O ATOM 0 H GLU A 75 17.696 9.285 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 75 20.402 8.258 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.942 10.208 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.549 9.373 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.027 11.079 -8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.232 11.793 -7.700 1.00 0.00 H new ATOM 1167 N GLU A 76 21.579 10.009 -6.002 1.00 0.00 N ATOM 1168 CA GLU A 76 22.234 10.913 -5.054 1.00 0.00 C ATOM 1169 C GLU A 76 22.993 11.966 -5.865 1.00 0.00 C ATOM 1170 O GLU A 76 23.957 11.639 -6.565 1.00 0.00 O ATOM 1171 CB GLU A 76 23.192 10.126 -4.126 1.00 0.00 C ATOM 1172 CG GLU A 76 23.924 10.977 -3.061 1.00 0.00 C ATOM 1173 CD GLU A 76 24.938 10.157 -2.237 1.00 0.00 C ATOM 1174 OE1 GLU A 76 24.540 9.533 -1.233 1.00 0.00 O ATOM 1175 OE2 GLU A 76 26.128 10.102 -2.616 1.00 0.00 O ATOM 0 H GLU A 76 22.229 9.406 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 76 21.496 11.397 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.622 9.348 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.938 9.624 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.443 11.800 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.190 11.420 -2.389 1.00 0.00 H new ATOM 1182 N ASP A 77 22.522 13.222 -5.797 1.00 0.00 N ATOM 1183 CA ASP A 77 23.192 14.376 -6.434 1.00 0.00 C ATOM 1184 C ASP A 77 24.493 14.753 -5.676 1.00 0.00 C ATOM 1185 O ASP A 77 25.281 15.571 -6.162 1.00 0.00 O ATOM 1186 CB ASP A 77 22.204 15.578 -6.508 1.00 0.00 C ATOM 1187 CG ASP A 77 22.749 16.802 -7.279 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.806 16.747 -8.520 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.119 17.821 -6.654 1.00 0.00 O ATOM 0 H ASP A 77 21.666 13.470 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 77 23.482 14.103 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.281 15.246 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.948 15.886 -5.494 1.00 0.00 H new