USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= -0.11 (180deg=-0.71) USER MOD Single : A 2 THR OG1 : rot 172:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 35:sc= -0.145 USER MOD Single : A 9 CYS SG : rot 116:sc= 1.54 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 66:sc= 0.367 USER MOD Single : A 13 TYR OH : rot -91:sc= 0.0551 USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.0346 (180deg=-0.261) USER MOD Single : A 28 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 32 GLN : amide:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 140:sc= -1.11 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.384 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0291 (180deg=-0.303) USER MOD Single : A 53 MET CE :methyl 160:sc= 0 (180deg=-0.836) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.538 -0.585 1.378 1.00 0.00 N ATOM 2 CA MET A 1 2.049 -0.701 0.017 1.00 0.00 C ATOM 3 C MET A 1 3.296 -1.578 -0.023 1.00 0.00 C ATOM 4 O MET A 1 3.964 -1.773 0.993 1.00 0.00 O ATOM 5 CB MET A 1 2.366 0.684 -0.551 1.00 0.00 C ATOM 6 CG MET A 1 1.184 1.638 -0.524 1.00 0.00 C ATOM 7 SD MET A 1 1.647 3.330 -0.941 1.00 0.00 S ATOM 8 CE MET A 1 0.749 4.244 0.311 1.00 0.00 C ATOM 0 H1 MET A 1 0.501 -0.661 1.367 1.00 0.00 H new ATOM 0 H2 MET A 1 1.934 -1.347 1.964 1.00 0.00 H new ATOM 0 H3 MET A 1 1.814 0.336 1.775 1.00 0.00 H new ATOM 0 HA MET A 1 1.278 -1.169 -0.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.188 1.121 0.017 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.711 0.575 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.425 1.290 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.733 1.623 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.934 5.311 0.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.318 4.047 0.210 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.084 3.932 1.300 1.00 0.00 H new ATOM 18 N THR A 2 3.605 -2.107 -1.203 1.00 0.00 N ATOM 19 CA THR A 2 4.770 -2.964 -1.375 1.00 0.00 C ATOM 20 C THR A 2 5.994 -2.154 -1.788 1.00 0.00 C ATOM 21 O THR A 2 5.883 -1.186 -2.540 1.00 0.00 O ATOM 22 CB THR A 2 4.513 -4.058 -2.429 1.00 0.00 C ATOM 23 OG1 THR A 2 3.437 -4.902 -2.006 1.00 0.00 O ATOM 24 CG2 THR A 2 5.763 -4.895 -2.657 1.00 0.00 C ATOM 0 H THR A 2 3.063 -1.956 -2.054 1.00 0.00 H new ATOM 0 HA THR A 2 4.959 -3.436 -0.411 1.00 0.00 H new ATOM 0 HB THR A 2 4.245 -3.572 -3.367 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.189 -5.507 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.557 -5.661 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.571 -4.253 -3.008 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.057 -5.371 -1.722 1.00 0.00 H new ATOM 32 N ALA A 3 7.159 -2.556 -1.293 1.00 0.00 N ATOM 33 CA ALA A 3 8.404 -1.868 -1.613 1.00 0.00 C ATOM 34 C ALA A 3 9.594 -2.816 -1.523 1.00 0.00 C ATOM 35 O ALA A 3 9.917 -3.323 -0.448 1.00 0.00 O ATOM 36 CB ALA A 3 8.603 -0.678 -0.686 1.00 0.00 C ATOM 0 H ALA A 3 7.267 -3.355 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 3 8.337 -1.508 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.536 -0.174 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.772 0.018 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.643 -1.024 0.347 1.00 0.00 H new ATOM 42 N TYR A 4 10.243 -3.053 -2.657 1.00 0.00 N ATOM 43 CA TYR A 4 11.397 -3.944 -2.706 1.00 0.00 C ATOM 44 C TYR A 4 12.675 -3.164 -3.002 1.00 0.00 C ATOM 45 O TYR A 4 12.810 -2.551 -4.061 1.00 0.00 O ATOM 46 CB TYR A 4 11.188 -5.025 -3.769 1.00 0.00 C ATOM 47 CG TYR A 4 10.281 -6.148 -3.319 1.00 0.00 C ATOM 48 CD1 TYR A 4 10.789 -7.247 -2.638 1.00 0.00 C ATOM 49 CD2 TYR A 4 8.916 -6.111 -3.577 1.00 0.00 C ATOM 50 CE1 TYR A 4 9.964 -8.276 -2.226 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.084 -7.134 -3.168 1.00 0.00 C ATOM 52 CZ TYR A 4 8.613 -8.215 -2.493 1.00 0.00 C ATOM 53 OH TYR A 4 7.787 -9.237 -2.085 1.00 0.00 O ATOM 0 H TYR A 4 9.990 -2.641 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 4 11.500 -4.418 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 4 10.768 -4.566 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.156 -5.441 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.847 -7.298 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.499 -5.267 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.375 -9.123 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.025 -7.088 -3.375 1.00 0.00 H new ATOM 0 HH TYR A 4 6.865 -9.038 -2.351 1.00 0.00 H new ATOM 63 N ARG A 5 13.610 -3.195 -2.058 1.00 0.00 N ATOM 64 CA ARG A 5 14.877 -2.491 -2.216 1.00 0.00 C ATOM 65 C ARG A 5 16.055 -3.438 -2.002 1.00 0.00 C ATOM 66 O ARG A 5 16.363 -3.816 -0.871 1.00 0.00 O ATOM 67 CB ARG A 5 14.963 -1.324 -1.231 1.00 0.00 C ATOM 68 CG ARG A 5 16.063 -0.328 -1.561 1.00 0.00 C ATOM 69 CD ARG A 5 17.047 -0.185 -0.411 1.00 0.00 C ATOM 70 NE ARG A 5 16.449 0.482 0.742 1.00 0.00 N ATOM 71 CZ ARG A 5 17.115 0.763 1.856 1.00 0.00 C ATOM 72 NH1 ARG A 5 18.395 0.437 1.967 1.00 0.00 N ATOM 73 NH2 ARG A 5 16.501 1.372 2.863 1.00 0.00 N ATOM 0 H ARG A 5 13.514 -3.699 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 5 14.924 -2.103 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.006 -0.803 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.130 -1.718 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.593 -0.653 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.621 0.643 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.403 -1.171 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.916 0.381 -0.746 1.00 0.00 H new ATOM 0 HE ARG A 5 15.465 0.747 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.871 -0.031 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.904 0.654 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.516 1.625 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.014 1.587 3.718 1.00 0.00 H new ATOM 87 N CYS A 6 16.708 -3.818 -3.095 1.00 0.00 N ATOM 88 CA CYS A 6 17.851 -4.721 -3.027 1.00 0.00 C ATOM 89 C CYS A 6 18.795 -4.493 -4.203 1.00 0.00 C ATOM 90 O CYS A 6 18.690 -5.135 -5.249 1.00 0.00 O ATOM 91 CB CYS A 6 17.377 -6.176 -3.012 1.00 0.00 C ATOM 92 SG CYS A 6 17.300 -6.910 -1.362 1.00 0.00 S ATOM 0 H CYS A 6 16.465 -3.515 -4.038 1.00 0.00 H new ATOM 0 HA CYS A 6 18.393 -4.513 -2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.389 -6.230 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 6 18.047 -6.772 -3.632 1.00 0.00 H new ATOM 0 HG CYS A 6 16.930 -6.008 -0.502 1.00 0.00 H new ATOM 98 N PRO A 7 19.739 -3.556 -4.031 1.00 0.00 N ATOM 99 CA PRO A 7 20.719 -3.221 -5.068 1.00 0.00 C ATOM 100 C PRO A 7 21.731 -4.339 -5.293 1.00 0.00 C ATOM 101 O PRO A 7 22.528 -4.289 -6.230 1.00 0.00 O ATOM 102 CB PRO A 7 21.413 -1.975 -4.511 1.00 0.00 C ATOM 103 CG PRO A 7 21.248 -2.079 -3.034 1.00 0.00 C ATOM 104 CD PRO A 7 19.922 -2.752 -2.811 1.00 0.00 C ATOM 0 HA PRO A 7 20.248 -3.065 -6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 7 22.466 -1.950 -4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 7 20.958 -1.063 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 7 22.059 -2.658 -2.591 1.00 0.00 H new ATOM 0 HG3 PRO A 7 21.268 -1.093 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.933 -3.375 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 7 19.119 -2.026 -2.684 1.00 0.00 H new ATOM 112 N VAL A 8 21.694 -5.347 -4.428 1.00 0.00 N ATOM 113 CA VAL A 8 22.607 -6.479 -4.533 1.00 0.00 C ATOM 114 C VAL A 8 22.346 -7.279 -5.804 1.00 0.00 C ATOM 115 O VAL A 8 23.209 -8.027 -6.267 1.00 0.00 O ATOM 116 CB VAL A 8 22.483 -7.415 -3.316 1.00 0.00 C ATOM 117 CG1 VAL A 8 21.098 -8.041 -3.262 1.00 0.00 C ATOM 118 CG2 VAL A 8 23.560 -8.488 -3.358 1.00 0.00 C ATOM 0 H VAL A 8 21.041 -5.403 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 8 23.617 -6.069 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 8 22.624 -6.825 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.030 -8.699 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 8 20.347 -7.256 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.924 -8.618 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.458 -9.140 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.452 -9.076 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 8 24.543 -8.017 -3.344 1.00 0.00 H new ATOM 128 N CYS A 9 21.153 -7.116 -6.365 1.00 0.00 N ATOM 129 CA CYS A 9 20.778 -7.824 -7.584 1.00 0.00 C ATOM 130 C CYS A 9 20.464 -6.842 -8.708 1.00 0.00 C ATOM 131 O CYS A 9 21.041 -6.918 -9.793 1.00 0.00 O ATOM 132 CB CYS A 9 19.570 -8.725 -7.325 1.00 0.00 C ATOM 133 SG CYS A 9 18.423 -8.082 -6.084 1.00 0.00 S ATOM 0 H CYS A 9 20.429 -6.500 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 9 21.623 -8.441 -7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 9 19.031 -8.871 -8.261 1.00 0.00 H new ATOM 0 HB3 CYS A 9 19.923 -9.705 -7.005 1.00 0.00 H new ATOM 0 HG CYS A 9 17.272 -7.842 -6.640 1.00 0.00 H new ATOM 139 N ASP A 10 19.544 -5.921 -8.441 1.00 0.00 N ATOM 140 CA ASP A 10 19.151 -4.924 -9.430 1.00 0.00 C ATOM 141 C ASP A 10 18.625 -3.663 -8.751 1.00 0.00 C ATOM 142 O ASP A 10 18.248 -3.688 -7.579 1.00 0.00 O ATOM 143 CB ASP A 10 18.086 -5.495 -10.367 1.00 0.00 C ATOM 144 CG ASP A 10 17.728 -4.540 -11.489 1.00 0.00 C ATOM 145 OD1 ASP A 10 18.656 -4.032 -12.153 1.00 0.00 O ATOM 146 OD2 ASP A 10 16.521 -4.299 -11.702 1.00 0.00 O ATOM 0 H ASP A 10 19.057 -5.844 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 10 20.033 -4.660 -10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 10 18.446 -6.432 -10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.189 -5.729 -9.793 1.00 0.00 H new ATOM 151 N TYR A 11 18.604 -2.562 -9.494 1.00 0.00 N ATOM 152 CA TYR A 11 18.128 -1.290 -8.963 1.00 0.00 C ATOM 153 C TYR A 11 16.803 -1.468 -8.229 1.00 0.00 C ATOM 154 O TYR A 11 16.069 -2.427 -8.470 1.00 0.00 O ATOM 155 CB TYR A 11 17.966 -0.271 -10.091 1.00 0.00 C ATOM 156 CG TYR A 11 19.247 0.007 -10.845 1.00 0.00 C ATOM 157 CD1 TYR A 11 20.226 0.834 -10.309 1.00 0.00 C ATOM 158 CD2 TYR A 11 19.479 -0.558 -12.093 1.00 0.00 C ATOM 159 CE1 TYR A 11 21.398 1.092 -10.994 1.00 0.00 C ATOM 160 CE2 TYR A 11 20.648 -0.308 -12.785 1.00 0.00 C ATOM 161 CZ TYR A 11 21.604 0.518 -12.232 1.00 0.00 C ATOM 162 OH TYR A 11 22.770 0.771 -12.917 1.00 0.00 O ATOM 0 H TYR A 11 18.911 -2.525 -10.466 1.00 0.00 H new ATOM 0 HA TYR A 11 18.869 -0.922 -8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 11 17.214 -0.633 -10.791 1.00 0.00 H new ATOM 0 HB3 TYR A 11 17.590 0.663 -9.674 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.068 1.283 -9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 11 18.732 -1.204 -12.530 1.00 0.00 H new ATOM 0 HE1 TYR A 11 22.148 1.739 -10.563 1.00 0.00 H new ATOM 0 HE2 TYR A 11 20.812 -0.757 -13.753 1.00 0.00 H new ATOM 0 HH TYR A 11 22.759 0.290 -13.771 1.00 0.00 H new ATOM 172 N THR A 12 16.501 -0.536 -7.330 1.00 0.00 N ATOM 173 CA THR A 12 15.265 -0.588 -6.560 1.00 0.00 C ATOM 174 C THR A 12 14.281 0.477 -7.027 1.00 0.00 C ATOM 175 O THR A 12 14.655 1.630 -7.245 1.00 0.00 O ATOM 176 CB THR A 12 15.533 -0.399 -5.055 1.00 0.00 C ATOM 177 OG1 THR A 12 14.297 -0.212 -4.357 1.00 0.00 O ATOM 178 CG2 THR A 12 16.443 0.796 -4.813 1.00 0.00 C ATOM 0 H THR A 12 17.096 0.264 -7.118 1.00 0.00 H new ATOM 0 HA THR A 12 14.832 -1.575 -6.724 1.00 0.00 H new ATOM 0 HB THR A 12 16.029 -1.295 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.762 -1.031 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.618 0.909 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.394 0.638 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.970 1.698 -5.201 1.00 0.00 H new ATOM 186 N TYR A 13 13.020 0.086 -7.179 1.00 0.00 N ATOM 187 CA TYR A 13 11.981 1.008 -7.622 1.00 0.00 C ATOM 188 C TYR A 13 10.632 0.642 -7.012 1.00 0.00 C ATOM 189 O TYR A 13 10.023 -0.363 -7.380 1.00 0.00 O ATOM 190 CB TYR A 13 11.882 1.001 -9.148 1.00 0.00 C ATOM 191 CG TYR A 13 11.949 -0.383 -9.754 1.00 0.00 C ATOM 192 CD1 TYR A 13 13.171 -0.991 -10.012 1.00 0.00 C ATOM 193 CD2 TYR A 13 10.790 -1.082 -10.067 1.00 0.00 C ATOM 194 CE1 TYR A 13 13.236 -2.255 -10.565 1.00 0.00 C ATOM 195 CE2 TYR A 13 10.846 -2.347 -10.619 1.00 0.00 C ATOM 196 CZ TYR A 13 12.071 -2.929 -10.867 1.00 0.00 C ATOM 197 OH TYR A 13 12.132 -4.189 -11.418 1.00 0.00 O ATOM 0 H TYR A 13 12.693 -0.864 -7.002 1.00 0.00 H new ATOM 0 HA TYR A 13 12.251 2.009 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.946 1.473 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.689 1.608 -9.559 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.085 -0.467 -9.776 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.829 -0.629 -9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 13 14.194 -2.713 -10.760 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.935 -2.877 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 13 12.134 -4.119 -12.395 1.00 0.00 H new ATOM 207 N ASP A 14 10.170 1.465 -6.077 1.00 0.00 N ATOM 208 CA ASP A 14 8.892 1.231 -5.416 1.00 0.00 C ATOM 209 C ASP A 14 7.731 1.473 -6.376 1.00 0.00 C ATOM 210 O ASP A 14 7.821 2.308 -7.274 1.00 0.00 O ATOM 211 CB ASP A 14 8.753 2.137 -4.191 1.00 0.00 C ATOM 212 CG ASP A 14 7.414 1.974 -3.499 1.00 0.00 C ATOM 213 OD1 ASP A 14 7.296 1.078 -2.637 1.00 0.00 O ATOM 214 OD2 ASP A 14 6.485 2.744 -3.818 1.00 0.00 O ATOM 0 H ASP A 14 10.662 2.300 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 14 8.864 0.190 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.553 1.914 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.877 3.176 -4.495 1.00 0.00 H new ATOM 219 N GLU A 15 6.643 0.734 -6.179 1.00 0.00 N ATOM 220 CA GLU A 15 5.466 0.867 -7.029 1.00 0.00 C ATOM 221 C GLU A 15 5.031 2.326 -7.130 1.00 0.00 C ATOM 222 O GLU A 15 4.917 2.877 -8.225 1.00 0.00 O ATOM 223 CB GLU A 15 4.317 0.017 -6.484 1.00 0.00 C ATOM 224 CG GLU A 15 4.462 -1.466 -6.782 1.00 0.00 C ATOM 225 CD GLU A 15 4.688 -1.745 -8.255 1.00 0.00 C ATOM 226 OE1 GLU A 15 3.792 -1.427 -9.064 1.00 0.00 O ATOM 227 OE2 GLU A 15 5.762 -2.283 -8.598 1.00 0.00 O ATOM 0 H GLU A 15 6.553 0.038 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 15 5.728 0.514 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.252 0.157 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.379 0.374 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.296 -1.868 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.565 -1.989 -6.450 1.00 0.00 H new ATOM 234 N GLY A 16 4.787 2.947 -5.980 1.00 0.00 N ATOM 235 CA GLY A 16 4.366 4.335 -5.960 1.00 0.00 C ATOM 236 C GLY A 16 5.378 5.257 -6.612 1.00 0.00 C ATOM 237 O GLY A 16 5.049 6.380 -6.996 1.00 0.00 O ATOM 0 H GLY A 16 4.874 2.513 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.409 4.429 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.206 4.648 -4.928 1.00 0.00 H new ATOM 241 N LYS A 17 6.613 4.784 -6.736 1.00 0.00 N ATOM 242 CA LYS A 17 7.678 5.573 -7.346 1.00 0.00 C ATOM 243 C LYS A 17 7.598 5.510 -8.868 1.00 0.00 C ATOM 244 O LYS A 17 7.672 6.534 -9.545 1.00 0.00 O ATOM 245 CB LYS A 17 9.045 5.072 -6.875 1.00 0.00 C ATOM 246 CG LYS A 17 10.094 6.166 -6.783 1.00 0.00 C ATOM 247 CD LYS A 17 10.287 6.634 -5.350 1.00 0.00 C ATOM 248 CE LYS A 17 11.299 5.771 -4.613 1.00 0.00 C ATOM 249 NZ LYS A 17 12.685 5.991 -5.112 1.00 0.00 N ATOM 0 H LYS A 17 6.902 3.858 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 17 7.551 6.610 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.934 4.603 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.396 4.300 -7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.041 5.797 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.797 7.010 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.621 7.671 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.332 6.605 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.258 5.993 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.034 4.720 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.367 5.668 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.826 5.455 -5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.831 7.004 -5.296 1.00 0.00 H new ATOM 263 N GLY A 18 7.445 4.301 -9.399 1.00 0.00 N ATOM 264 CA GLY A 18 7.356 4.128 -10.837 1.00 0.00 C ATOM 265 C GLY A 18 8.713 3.924 -11.481 1.00 0.00 C ATOM 266 O GLY A 18 9.136 2.790 -11.708 1.00 0.00 O ATOM 0 H GLY A 18 7.381 3.438 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.720 3.271 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.877 5.003 -11.276 1.00 0.00 H new ATOM 270 N ASP A 19 9.397 5.023 -11.778 1.00 0.00 N ATOM 271 CA ASP A 19 10.714 4.960 -12.400 1.00 0.00 C ATOM 272 C ASP A 19 10.630 4.327 -13.786 1.00 0.00 C ATOM 273 O ASP A 19 11.037 3.185 -13.999 1.00 0.00 O ATOM 274 CB ASP A 19 11.680 4.165 -11.521 1.00 0.00 C ATOM 275 CG ASP A 19 13.132 4.493 -11.811 1.00 0.00 C ATOM 276 OD1 ASP A 19 13.422 4.955 -12.934 1.00 0.00 O ATOM 277 OD2 ASP A 19 13.977 4.287 -10.915 1.00 0.00 O ATOM 0 H ASP A 19 9.061 5.969 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 19 11.087 5.979 -12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.466 4.372 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.514 3.099 -11.676 1.00 0.00 H new ATOM 282 N PRO A 20 10.089 5.085 -14.751 1.00 0.00 N ATOM 283 CA PRO A 20 9.938 4.619 -16.133 1.00 0.00 C ATOM 284 C PRO A 20 11.277 4.489 -16.850 1.00 0.00 C ATOM 285 O PRO A 20 11.392 3.777 -17.848 1.00 0.00 O ATOM 286 CB PRO A 20 9.086 5.711 -16.784 1.00 0.00 C ATOM 287 CG PRO A 20 9.352 6.933 -15.975 1.00 0.00 C ATOM 288 CD PRO A 20 9.582 6.456 -14.568 1.00 0.00 C ATOM 0 HA PRO A 20 9.492 3.626 -16.182 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.363 5.859 -17.828 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.028 5.449 -16.769 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.223 7.469 -16.353 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.509 7.622 -16.020 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.302 7.084 -14.043 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.662 6.470 -13.984 1.00 0.00 H new ATOM 296 N ARG A 21 12.288 5.182 -16.336 1.00 0.00 N ATOM 297 CA ARG A 21 13.620 5.145 -16.928 1.00 0.00 C ATOM 298 C ARG A 21 14.174 3.723 -16.932 1.00 0.00 C ATOM 299 O ARG A 21 15.034 3.384 -17.744 1.00 0.00 O ATOM 300 CB ARG A 21 14.568 6.071 -16.164 1.00 0.00 C ATOM 301 CG ARG A 21 14.386 7.541 -16.502 1.00 0.00 C ATOM 302 CD ARG A 21 14.759 8.433 -15.327 1.00 0.00 C ATOM 303 NE ARG A 21 14.195 9.774 -15.457 1.00 0.00 N ATOM 304 CZ ARG A 21 14.290 10.706 -14.516 1.00 0.00 C ATOM 305 NH1 ARG A 21 14.924 10.444 -13.381 1.00 0.00 N ATOM 306 NH2 ARG A 21 13.751 11.903 -14.708 1.00 0.00 N ATOM 0 H ARG A 21 12.210 5.776 -15.511 1.00 0.00 H new ATOM 0 HA ARG A 21 13.541 5.489 -17.959 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.415 5.931 -15.094 1.00 0.00 H new ATOM 0 HB3 ARG A 21 15.597 5.782 -16.379 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.002 7.796 -17.364 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.350 7.725 -16.785 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.406 7.979 -14.401 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.844 8.502 -15.254 1.00 0.00 H new ATOM 0 HE ARG A 21 13.701 10.007 -16.318 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.340 9.525 -13.230 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.996 11.161 -12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.263 12.109 -15.580 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.825 12.618 -13.984 1.00 0.00 H new ATOM 320 N GLU A 22 13.675 2.896 -16.018 1.00 0.00 N ATOM 321 CA GLU A 22 14.121 1.512 -15.915 1.00 0.00 C ATOM 322 C GLU A 22 13.187 0.581 -16.682 1.00 0.00 C ATOM 323 O GLU A 22 13.077 -0.603 -16.368 1.00 0.00 O ATOM 324 CB GLU A 22 14.195 1.084 -14.448 1.00 0.00 C ATOM 325 CG GLU A 22 15.209 1.871 -13.635 1.00 0.00 C ATOM 326 CD GLU A 22 16.545 2.004 -14.339 1.00 0.00 C ATOM 327 OE1 GLU A 22 17.332 1.035 -14.303 1.00 0.00 O ATOM 328 OE2 GLU A 22 16.804 3.075 -14.924 1.00 0.00 O ATOM 0 H GLU A 22 12.962 3.161 -15.339 1.00 0.00 H new ATOM 0 HA GLU A 22 15.116 1.444 -16.356 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.210 1.199 -13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.447 0.025 -14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.811 2.865 -13.429 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.357 1.381 -12.673 1.00 0.00 H new ATOM 335 N GLY A 23 12.513 1.126 -17.691 1.00 0.00 N ATOM 336 CA GLY A 23 11.596 0.332 -18.486 1.00 0.00 C ATOM 337 C GLY A 23 10.373 -0.100 -17.702 1.00 0.00 C ATOM 338 O GLY A 23 9.662 -1.021 -18.104 1.00 0.00 O ATOM 0 H GLY A 23 12.586 2.104 -17.971 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.281 0.909 -19.356 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.115 -0.551 -18.860 1.00 0.00 H new ATOM 342 N PHE A 24 10.126 0.566 -16.579 1.00 0.00 N ATOM 343 CA PHE A 24 8.982 0.244 -15.735 1.00 0.00 C ATOM 344 C PHE A 24 8.304 1.515 -15.230 1.00 0.00 C ATOM 345 O PHE A 24 8.569 1.994 -14.127 1.00 0.00 O ATOM 346 CB PHE A 24 9.421 -0.618 -14.550 1.00 0.00 C ATOM 347 CG PHE A 24 10.150 -1.867 -14.955 1.00 0.00 C ATOM 348 CD1 PHE A 24 9.546 -2.800 -15.782 1.00 0.00 C ATOM 349 CD2 PHE A 24 11.439 -2.109 -14.508 1.00 0.00 C ATOM 350 CE1 PHE A 24 10.214 -3.950 -16.157 1.00 0.00 C ATOM 351 CE2 PHE A 24 12.112 -3.257 -14.880 1.00 0.00 C ATOM 352 CZ PHE A 24 11.499 -4.180 -15.705 1.00 0.00 C ATOM 0 H PHE A 24 10.703 1.332 -16.232 1.00 0.00 H new ATOM 0 HA PHE A 24 8.265 -0.316 -16.336 1.00 0.00 H new ATOM 0 HB2 PHE A 24 10.065 -0.026 -13.899 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.543 -0.893 -13.966 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.541 -2.626 -16.138 1.00 0.00 H new ATOM 0 HD2 PHE A 24 11.923 -1.392 -13.861 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.732 -4.669 -16.803 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.117 -3.433 -14.526 1.00 0.00 H new ATOM 0 HZ PHE A 24 12.023 -5.079 -15.996 1.00 0.00 H new ATOM 362 N PRO A 25 7.408 2.075 -16.056 1.00 0.00 N ATOM 363 CA PRO A 25 6.674 3.297 -15.716 1.00 0.00 C ATOM 364 C PRO A 25 5.653 3.070 -14.606 1.00 0.00 C ATOM 365 O PRO A 25 5.483 1.950 -14.127 1.00 0.00 O ATOM 366 CB PRO A 25 5.968 3.663 -17.024 1.00 0.00 C ATOM 367 CG PRO A 25 5.833 2.371 -17.756 1.00 0.00 C ATOM 368 CD PRO A 25 7.043 1.559 -17.386 1.00 0.00 C ATOM 0 HA PRO A 25 7.335 4.078 -15.339 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.994 4.115 -16.835 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.548 4.385 -17.599 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.915 1.856 -17.473 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.787 2.535 -18.833 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.817 0.493 -17.355 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.852 1.693 -18.105 1.00 0.00 H new ATOM 376 N ALA A 26 4.978 4.141 -14.202 1.00 0.00 N ATOM 377 CA ALA A 26 3.973 4.058 -13.149 1.00 0.00 C ATOM 378 C ALA A 26 2.962 2.954 -13.442 1.00 0.00 C ATOM 379 O ALA A 26 2.349 2.927 -14.508 1.00 0.00 O ATOM 380 CB ALA A 26 3.265 5.395 -12.988 1.00 0.00 C ATOM 0 H ALA A 26 5.109 5.076 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 26 4.480 3.813 -12.215 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.517 5.318 -12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.993 6.163 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.777 5.663 -13.925 1.00 0.00 H new ATOM 386 N GLY A 27 2.793 2.044 -12.488 1.00 0.00 N ATOM 387 CA GLY A 27 1.856 0.950 -12.663 1.00 0.00 C ATOM 388 C GLY A 27 2.544 -0.400 -12.718 1.00 0.00 C ATOM 389 O GLY A 27 1.991 -1.406 -12.273 1.00 0.00 O ATOM 0 H GLY A 27 3.289 2.045 -11.596 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.139 0.955 -11.842 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.290 1.104 -13.582 1.00 0.00 H new ATOM 393 N THR A 28 3.755 -0.424 -13.266 1.00 0.00 N ATOM 394 CA THR A 28 4.518 -1.660 -13.380 1.00 0.00 C ATOM 395 C THR A 28 4.615 -2.372 -12.036 1.00 0.00 C ATOM 396 O THR A 28 5.311 -1.914 -11.129 1.00 0.00 O ATOM 397 CB THR A 28 5.940 -1.396 -13.912 1.00 0.00 C ATOM 398 OG1 THR A 28 5.886 -0.501 -15.028 1.00 0.00 O ATOM 399 CG2 THR A 28 6.612 -2.695 -14.329 1.00 0.00 C ATOM 0 H THR A 28 4.228 0.399 -13.638 1.00 0.00 H new ATOM 0 HA THR A 28 3.986 -2.296 -14.088 1.00 0.00 H new ATOM 0 HB THR A 28 6.526 -0.944 -13.112 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.912 0.424 -14.707 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.614 -2.483 -14.701 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.677 -3.363 -13.470 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.026 -3.171 -15.115 1.00 0.00 H new ATOM 407 N ARG A 29 3.914 -3.495 -11.914 1.00 0.00 N ATOM 408 CA ARG A 29 3.922 -4.270 -10.679 1.00 0.00 C ATOM 409 C ARG A 29 5.253 -4.993 -10.499 1.00 0.00 C ATOM 410 O ARG A 29 5.785 -5.579 -11.443 1.00 0.00 O ATOM 411 CB ARG A 29 2.775 -5.283 -10.681 1.00 0.00 C ATOM 412 CG ARG A 29 1.404 -4.650 -10.506 1.00 0.00 C ATOM 413 CD ARG A 29 0.433 -5.605 -9.829 1.00 0.00 C ATOM 414 NE ARG A 29 -0.778 -4.925 -9.377 1.00 0.00 N ATOM 415 CZ ARG A 29 -1.722 -5.511 -8.649 1.00 0.00 C ATOM 416 NH1 ARG A 29 -1.595 -6.781 -8.292 1.00 0.00 N ATOM 417 NH2 ARG A 29 -2.795 -4.825 -8.276 1.00 0.00 N ATOM 0 H ARG A 29 3.334 -3.888 -12.655 1.00 0.00 H new ATOM 0 HA ARG A 29 3.788 -3.580 -9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.793 -5.838 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.938 -6.005 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.495 -3.740 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.010 -4.358 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.164 -6.401 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.923 -6.077 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.906 -3.946 -9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.771 -7.311 -8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.321 -7.229 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.895 -3.847 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.520 -5.276 -7.717 1.00 0.00 H new ATOM 431 N TRP A 30 5.786 -4.947 -9.284 1.00 0.00 N ATOM 432 CA TRP A 30 7.055 -5.598 -8.981 1.00 0.00 C ATOM 433 C TRP A 30 7.019 -7.071 -9.370 1.00 0.00 C ATOM 434 O TRP A 30 8.032 -7.641 -9.776 1.00 0.00 O ATOM 435 CB TRP A 30 7.381 -5.459 -7.492 1.00 0.00 C ATOM 436 CG TRP A 30 6.225 -5.791 -6.598 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.322 -4.916 -6.066 1.00 0.00 C ATOM 438 CD2 TRP A 30 5.850 -7.091 -6.130 1.00 0.00 C ATOM 439 NE1 TRP A 30 4.408 -5.593 -5.296 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.709 -6.929 -5.320 1.00 0.00 C ATOM 441 CE3 TRP A 30 6.365 -8.377 -6.319 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.079 -8.005 -4.699 1.00 0.00 C ATOM 443 CZ3 TRP A 30 5.738 -9.443 -5.703 1.00 0.00 C ATOM 444 CH2 TRP A 30 4.604 -9.252 -4.901 1.00 0.00 C ATOM 0 H TRP A 30 5.359 -4.466 -8.492 1.00 0.00 H new ATOM 0 HA TRP A 30 7.834 -5.107 -9.564 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.219 -6.112 -7.248 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.704 -4.437 -7.292 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.326 -3.848 -6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.631 -5.170 -4.789 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.238 -8.534 -6.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.206 -7.860 -4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 6.128 -10.440 -5.842 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.136 -10.106 -4.434 1.00 0.00 H new ATOM 455 N ASP A 31 5.846 -7.683 -9.244 1.00 0.00 N ATOM 456 CA ASP A 31 5.678 -9.091 -9.584 1.00 0.00 C ATOM 457 C ASP A 31 5.605 -9.280 -11.096 1.00 0.00 C ATOM 458 O ASP A 31 5.930 -10.348 -11.614 1.00 0.00 O ATOM 459 CB ASP A 31 4.415 -9.649 -8.927 1.00 0.00 C ATOM 460 CG ASP A 31 4.474 -11.153 -8.743 1.00 0.00 C ATOM 461 OD1 ASP A 31 5.594 -11.690 -8.611 1.00 0.00 O ATOM 462 OD2 ASP A 31 3.401 -11.792 -8.730 1.00 0.00 O ATOM 0 H ASP A 31 4.998 -7.226 -8.909 1.00 0.00 H new ATOM 0 HA ASP A 31 6.545 -9.636 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.273 -9.173 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.549 -9.394 -9.537 1.00 0.00 H new ATOM 467 N GLN A 32 5.175 -8.236 -11.798 1.00 0.00 N ATOM 468 CA GLN A 32 5.058 -8.288 -13.250 1.00 0.00 C ATOM 469 C GLN A 32 6.424 -8.490 -13.899 1.00 0.00 C ATOM 470 O GLN A 32 6.520 -8.977 -15.026 1.00 0.00 O ATOM 471 CB GLN A 32 4.415 -7.005 -13.778 1.00 0.00 C ATOM 472 CG GLN A 32 4.042 -7.071 -15.250 1.00 0.00 C ATOM 473 CD GLN A 32 3.487 -5.760 -15.771 1.00 0.00 C ATOM 474 OE1 GLN A 32 3.969 -5.222 -16.769 1.00 0.00 O ATOM 475 NE2 GLN A 32 2.468 -5.239 -15.098 1.00 0.00 N ATOM 0 H GLN A 32 4.902 -7.344 -11.384 1.00 0.00 H new ATOM 0 HA GLN A 32 4.424 -9.136 -13.508 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.520 -6.791 -13.194 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.103 -6.174 -13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.922 -7.345 -15.832 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.303 -7.859 -15.399 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.101 -5.719 -14.277 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.053 -4.359 -15.402 1.00 0.00 H new ATOM 484 N ILE A 33 7.476 -8.112 -13.182 1.00 0.00 N ATOM 485 CA ILE A 33 8.836 -8.253 -13.688 1.00 0.00 C ATOM 486 C ILE A 33 9.095 -9.673 -14.181 1.00 0.00 C ATOM 487 O ILE A 33 8.777 -10.656 -13.512 1.00 0.00 O ATOM 488 CB ILE A 33 9.877 -7.897 -12.611 1.00 0.00 C ATOM 489 CG1 ILE A 33 9.635 -6.482 -12.084 1.00 0.00 C ATOM 490 CG2 ILE A 33 11.285 -8.026 -13.173 1.00 0.00 C ATOM 491 CD1 ILE A 33 9.759 -5.412 -13.146 1.00 0.00 C ATOM 0 H ILE A 33 7.413 -7.706 -12.249 1.00 0.00 H new ATOM 0 HA ILE A 33 8.936 -7.558 -14.522 1.00 0.00 H new ATOM 0 HB ILE A 33 9.773 -8.595 -11.781 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.639 -6.432 -11.644 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.347 -6.274 -11.285 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.010 -7.771 -12.400 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.452 -9.051 -13.504 1.00 0.00 H new ATOM 0 HG23 ILE A 33 11.403 -7.348 -14.019 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.575 -4.434 -12.701 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.763 -5.434 -13.570 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.029 -5.595 -13.934 1.00 0.00 H new ATOM 503 N PRO A 34 9.688 -9.784 -15.379 1.00 0.00 N ATOM 504 CA PRO A 34 10.005 -11.080 -15.987 1.00 0.00 C ATOM 505 C PRO A 34 11.129 -11.804 -15.254 1.00 0.00 C ATOM 506 O PRO A 34 12.230 -11.274 -15.105 1.00 0.00 O ATOM 507 CB PRO A 34 10.445 -10.707 -17.405 1.00 0.00 C ATOM 508 CG PRO A 34 10.937 -9.305 -17.293 1.00 0.00 C ATOM 509 CD PRO A 34 10.094 -8.655 -16.231 1.00 0.00 C ATOM 0 HA PRO A 34 9.157 -11.764 -15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.229 -11.374 -17.765 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.616 -10.781 -18.109 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.993 -9.282 -17.022 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.841 -8.780 -18.244 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.659 -7.911 -15.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.231 -8.144 -16.659 1.00 0.00 H new ATOM 517 N ASP A 35 10.844 -13.019 -14.799 1.00 0.00 N ATOM 518 CA ASP A 35 11.832 -13.818 -14.082 1.00 0.00 C ATOM 519 C ASP A 35 12.910 -14.330 -15.032 1.00 0.00 C ATOM 520 O ASP A 35 13.980 -14.758 -14.600 1.00 0.00 O ATOM 521 CB ASP A 35 11.154 -14.995 -13.379 1.00 0.00 C ATOM 522 CG ASP A 35 12.152 -16.013 -12.862 1.00 0.00 C ATOM 523 OD1 ASP A 35 12.895 -15.687 -11.912 1.00 0.00 O ATOM 524 OD2 ASP A 35 12.189 -17.136 -13.407 1.00 0.00 O ATOM 0 H ASP A 35 9.938 -13.472 -14.914 1.00 0.00 H new ATOM 0 HA ASP A 35 12.305 -13.181 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.556 -14.622 -12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.468 -15.482 -14.072 1.00 0.00 H new ATOM 529 N ASP A 36 12.620 -14.282 -16.328 1.00 0.00 N ATOM 530 CA ASP A 36 13.565 -14.741 -17.340 1.00 0.00 C ATOM 531 C ASP A 36 14.645 -13.693 -17.590 1.00 0.00 C ATOM 532 O ASP A 36 15.736 -14.013 -18.061 1.00 0.00 O ATOM 533 CB ASP A 36 12.833 -15.059 -18.645 1.00 0.00 C ATOM 534 CG ASP A 36 12.352 -16.495 -18.704 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.164 -17.378 -19.051 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.164 -16.736 -18.404 1.00 0.00 O ATOM 0 H ASP A 36 11.739 -13.930 -16.702 1.00 0.00 H new ATOM 0 HA ASP A 36 14.043 -15.648 -16.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.980 -14.389 -18.752 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.498 -14.867 -19.487 1.00 0.00 H new ATOM 541 N TRP A 37 14.332 -12.442 -17.273 1.00 0.00 N ATOM 542 CA TRP A 37 15.276 -11.346 -17.465 1.00 0.00 C ATOM 543 C TRP A 37 16.611 -11.655 -16.797 1.00 0.00 C ATOM 544 O TRP A 37 16.662 -12.350 -15.781 1.00 0.00 O ATOM 545 CB TRP A 37 14.700 -10.046 -16.903 1.00 0.00 C ATOM 546 CG TRP A 37 14.661 -8.932 -17.905 1.00 0.00 C ATOM 547 CD1 TRP A 37 15.346 -7.752 -17.846 1.00 0.00 C ATOM 548 CD2 TRP A 37 13.896 -8.894 -19.115 1.00 0.00 C ATOM 549 NE1 TRP A 37 15.052 -6.982 -18.946 1.00 0.00 N ATOM 550 CE2 TRP A 37 14.166 -7.661 -19.740 1.00 0.00 C ATOM 551 CE3 TRP A 37 13.010 -9.782 -19.732 1.00 0.00 C ATOM 552 CZ2 TRP A 37 13.581 -7.296 -20.949 1.00 0.00 C ATOM 553 CZ3 TRP A 37 12.430 -9.418 -20.932 1.00 0.00 C ATOM 554 CH2 TRP A 37 12.718 -8.184 -21.531 1.00 0.00 C ATOM 0 H TRP A 37 13.433 -12.161 -16.882 1.00 0.00 H new ATOM 0 HA TRP A 37 15.445 -11.228 -18.535 1.00 0.00 H new ATOM 0 HB2 TRP A 37 13.690 -10.232 -16.538 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.296 -9.733 -16.046 1.00 0.00 H new ATOM 0 HD1 TRP A 37 16.020 -7.466 -17.052 1.00 0.00 H new ATOM 0 HE1 TRP A 37 15.432 -6.055 -19.140 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.783 -10.736 -19.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.801 -6.345 -21.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.743 -10.096 -21.417 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.250 -7.929 -22.470 1.00 0.00 H new ATOM 565 N CYS A 38 17.690 -11.136 -17.373 1.00 0.00 N ATOM 566 CA CYS A 38 19.027 -11.357 -16.833 1.00 0.00 C ATOM 567 C CYS A 38 19.666 -10.040 -16.406 1.00 0.00 C ATOM 568 O CYS A 38 19.811 -9.119 -17.212 1.00 0.00 O ATOM 569 CB CYS A 38 19.909 -12.054 -17.870 1.00 0.00 C ATOM 570 SG CYS A 38 19.510 -13.799 -18.125 1.00 0.00 S ATOM 0 H CYS A 38 17.665 -10.559 -18.214 1.00 0.00 H new ATOM 0 HA CYS A 38 18.936 -11.996 -15.955 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.818 -11.529 -18.821 1.00 0.00 H new ATOM 0 HB3 CYS A 38 20.951 -11.972 -17.559 1.00 0.00 H new ATOM 0 HG CYS A 38 20.308 -14.300 -19.021 1.00 0.00 H new ATOM 576 N CYS A 39 20.044 -9.956 -15.136 1.00 0.00 N ATOM 577 CA CYS A 39 20.666 -8.750 -14.601 1.00 0.00 C ATOM 578 C CYS A 39 22.152 -8.974 -14.341 1.00 0.00 C ATOM 579 O CYS A 39 22.627 -10.105 -14.245 1.00 0.00 O ATOM 580 CB CYS A 39 19.968 -8.321 -13.309 1.00 0.00 C ATOM 581 SG CYS A 39 18.830 -6.931 -13.511 1.00 0.00 S ATOM 0 H CYS A 39 19.931 -10.709 -14.457 1.00 0.00 H new ATOM 0 HA CYS A 39 20.561 -7.957 -15.342 1.00 0.00 H new ATOM 0 HB2 CYS A 39 19.418 -9.171 -12.906 1.00 0.00 H new ATOM 0 HB3 CYS A 39 20.725 -8.053 -12.572 1.00 0.00 H new ATOM 0 HG CYS A 39 17.764 -7.136 -12.796 1.00 0.00 H new ATOM 587 N PRO A 40 22.905 -7.870 -14.225 1.00 0.00 N ATOM 588 CA PRO A 40 24.349 -7.920 -13.975 1.00 0.00 C ATOM 589 C PRO A 40 24.678 -8.410 -12.569 1.00 0.00 C ATOM 590 O PRO A 40 25.507 -9.303 -12.391 1.00 0.00 O ATOM 591 CB PRO A 40 24.789 -6.464 -14.150 1.00 0.00 C ATOM 592 CG PRO A 40 23.569 -5.661 -13.856 1.00 0.00 C ATOM 593 CD PRO A 40 22.406 -6.489 -14.328 1.00 0.00 C ATOM 0 HA PRO A 40 24.854 -8.617 -14.644 1.00 0.00 H new ATOM 0 HB2 PRO A 40 25.602 -6.212 -13.470 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.151 -6.279 -15.161 1.00 0.00 H new ATOM 0 HG2 PRO A 40 23.489 -5.448 -12.790 1.00 0.00 H new ATOM 0 HG3 PRO A 40 23.600 -4.701 -14.372 1.00 0.00 H new ATOM 0 HD2 PRO A 40 21.524 -6.333 -13.707 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.124 -6.239 -15.351 1.00 0.00 H new ATOM 601 N ASP A 41 24.023 -7.823 -11.574 1.00 0.00 N ATOM 602 CA ASP A 41 24.244 -8.201 -10.184 1.00 0.00 C ATOM 603 C ASP A 41 23.425 -9.435 -9.819 1.00 0.00 C ATOM 604 O ASP A 41 23.952 -10.403 -9.269 1.00 0.00 O ATOM 605 CB ASP A 41 23.884 -7.042 -9.253 1.00 0.00 C ATOM 606 CG ASP A 41 25.104 -6.429 -8.594 1.00 0.00 C ATOM 607 OD1 ASP A 41 26.113 -6.213 -9.298 1.00 0.00 O ATOM 608 OD2 ASP A 41 25.050 -6.166 -7.374 1.00 0.00 O ATOM 0 H ASP A 41 23.334 -7.083 -11.705 1.00 0.00 H new ATOM 0 HA ASP A 41 25.301 -8.439 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 41 23.357 -6.275 -9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 41 23.199 -7.397 -8.483 1.00 0.00 H new ATOM 613 N CYS A 42 22.134 -9.394 -10.129 1.00 0.00 N ATOM 614 CA CYS A 42 21.240 -10.509 -9.832 1.00 0.00 C ATOM 615 C CYS A 42 21.749 -11.798 -10.469 1.00 0.00 C ATOM 616 O CYS A 42 21.417 -12.896 -10.023 1.00 0.00 O ATOM 617 CB CYS A 42 19.827 -10.203 -10.329 1.00 0.00 C ATOM 618 SG CYS A 42 18.543 -11.235 -9.585 1.00 0.00 S ATOM 0 H CYS A 42 21.683 -8.602 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 42 21.215 -10.645 -8.751 1.00 0.00 H new ATOM 0 HB2 CYS A 42 19.600 -9.157 -10.125 1.00 0.00 H new ATOM 0 HB3 CYS A 42 19.799 -10.330 -11.411 1.00 0.00 H new ATOM 0 HG CYS A 42 17.383 -10.900 -10.067 1.00 0.00 H new ATOM 624 N SER A 43 22.556 -11.656 -11.516 1.00 0.00 N ATOM 625 CA SER A 43 23.106 -12.809 -12.219 1.00 0.00 C ATOM 626 C SER A 43 23.754 -13.783 -11.240 1.00 0.00 C ATOM 627 O SER A 43 23.656 -15.000 -11.400 1.00 0.00 O ATOM 628 CB SER A 43 24.131 -12.357 -13.260 1.00 0.00 C ATOM 629 OG SER A 43 25.128 -13.345 -13.457 1.00 0.00 O ATOM 0 H SER A 43 22.843 -10.754 -11.896 1.00 0.00 H new ATOM 0 HA SER A 43 22.287 -13.320 -12.725 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.628 -12.150 -14.205 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.596 -11.426 -12.936 1.00 0.00 H new ATOM 0 HG SER A 43 25.770 -13.033 -14.128 1.00 0.00 H new ATOM 635 N VAL A 44 24.418 -13.239 -10.225 1.00 0.00 N ATOM 636 CA VAL A 44 25.082 -14.058 -9.218 1.00 0.00 C ATOM 637 C VAL A 44 24.285 -14.086 -7.919 1.00 0.00 C ATOM 638 O VAL A 44 24.853 -14.201 -6.833 1.00 0.00 O ATOM 639 CB VAL A 44 26.504 -13.543 -8.925 1.00 0.00 C ATOM 640 CG1 VAL A 44 27.418 -13.790 -10.115 1.00 0.00 C ATOM 641 CG2 VAL A 44 26.471 -12.066 -8.565 1.00 0.00 C ATOM 0 H VAL A 44 24.510 -12.234 -10.078 1.00 0.00 H new ATOM 0 HA VAL A 44 25.146 -15.068 -9.623 1.00 0.00 H new ATOM 0 HB VAL A 44 26.902 -14.093 -8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.418 -13.419 -9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.465 -14.859 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 44 27.027 -13.269 -10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.484 -11.719 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 44 26.053 -11.498 -9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.852 -11.921 -7.679 1.00 0.00 H new ATOM 651 N ARG A 45 22.966 -13.980 -8.038 1.00 0.00 N ATOM 652 CA ARG A 45 22.090 -13.992 -6.873 1.00 0.00 C ATOM 653 C ARG A 45 20.709 -14.530 -7.236 1.00 0.00 C ATOM 654 O ARG A 45 20.369 -14.649 -8.413 1.00 0.00 O ATOM 655 CB ARG A 45 21.963 -12.584 -6.288 1.00 0.00 C ATOM 656 CG ARG A 45 21.885 -12.559 -4.771 1.00 0.00 C ATOM 657 CD ARG A 45 23.170 -13.071 -4.138 1.00 0.00 C ATOM 658 NE ARG A 45 24.350 -12.401 -4.678 1.00 0.00 N ATOM 659 CZ ARG A 45 25.596 -12.774 -4.406 1.00 0.00 C ATOM 660 NH1 ARG A 45 25.823 -13.807 -3.606 1.00 0.00 N ATOM 661 NH2 ARG A 45 26.618 -12.114 -4.936 1.00 0.00 N ATOM 0 H ARG A 45 22.480 -13.885 -8.930 1.00 0.00 H new ATOM 0 HA ARG A 45 22.532 -14.650 -6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 45 22.817 -11.988 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.071 -12.109 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 45 21.692 -11.541 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 45 21.046 -13.170 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.129 -12.919 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.254 -14.145 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 45 24.210 -11.603 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.040 -14.318 -3.198 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.781 -14.091 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 45 26.447 -11.320 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 45 27.574 -12.401 -4.727 1.00 0.00 H new ATOM 675 N GLU A 46 19.919 -14.854 -6.217 1.00 0.00 N ATOM 676 CA GLU A 46 18.576 -15.380 -6.430 1.00 0.00 C ATOM 677 C GLU A 46 17.530 -14.278 -6.287 1.00 0.00 C ATOM 678 O GLU A 46 17.679 -13.367 -5.472 1.00 0.00 O ATOM 679 CB GLU A 46 18.282 -16.508 -5.439 1.00 0.00 C ATOM 680 CG GLU A 46 19.248 -17.677 -5.543 1.00 0.00 C ATOM 681 CD GLU A 46 19.117 -18.427 -6.855 1.00 0.00 C ATOM 682 OE1 GLU A 46 17.971 -18.690 -7.275 1.00 0.00 O ATOM 683 OE2 GLU A 46 20.160 -18.750 -7.461 1.00 0.00 O ATOM 0 H GLU A 46 20.186 -14.762 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 46 18.526 -15.775 -7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.317 -16.108 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.267 -16.870 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 46 20.269 -17.310 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.071 -18.365 -4.716 1.00 0.00 H new ATOM 690 N LYS A 47 16.472 -14.367 -7.085 1.00 0.00 N ATOM 691 CA LYS A 47 15.400 -13.379 -7.049 1.00 0.00 C ATOM 692 C LYS A 47 14.806 -13.273 -5.648 1.00 0.00 C ATOM 693 O LYS A 47 14.238 -12.244 -5.280 1.00 0.00 O ATOM 694 CB LYS A 47 14.305 -13.748 -8.052 1.00 0.00 C ATOM 695 CG LYS A 47 13.624 -12.543 -8.680 1.00 0.00 C ATOM 696 CD LYS A 47 13.255 -12.804 -10.130 1.00 0.00 C ATOM 697 CE LYS A 47 12.974 -11.508 -10.876 1.00 0.00 C ATOM 698 NZ LYS A 47 14.205 -10.688 -11.045 1.00 0.00 N ATOM 0 H LYS A 47 16.334 -15.114 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 47 15.822 -12.411 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.739 -14.362 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.554 -14.358 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.726 -12.296 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.286 -11.679 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.067 -13.340 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.376 -13.447 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.552 -11.736 -11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.225 -10.931 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.066 -10.009 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.402 -10.172 -10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.008 -11.310 -11.269 1.00 0.00 H new ATOM 712 N VAL A 48 14.942 -14.342 -4.870 1.00 0.00 N ATOM 713 CA VAL A 48 14.420 -14.367 -3.508 1.00 0.00 C ATOM 714 C VAL A 48 15.162 -13.377 -2.617 1.00 0.00 C ATOM 715 O VAL A 48 14.714 -13.062 -1.514 1.00 0.00 O ATOM 716 CB VAL A 48 14.528 -15.775 -2.892 1.00 0.00 C ATOM 717 CG1 VAL A 48 15.985 -16.158 -2.687 1.00 0.00 C ATOM 718 CG2 VAL A 48 13.760 -15.842 -1.581 1.00 0.00 C ATOM 0 H VAL A 48 15.409 -15.202 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 48 13.369 -14.083 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 48 14.084 -16.491 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.041 -17.155 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.501 -16.152 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.459 -15.442 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.847 -16.843 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.172 -15.116 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.710 -15.615 -1.763 1.00 0.00 H new ATOM 728 N ASP A 49 16.297 -12.888 -3.103 1.00 0.00 N ATOM 729 CA ASP A 49 17.101 -11.931 -2.352 1.00 0.00 C ATOM 730 C ASP A 49 16.326 -10.639 -2.112 1.00 0.00 C ATOM 731 O ASP A 49 16.590 -9.912 -1.154 1.00 0.00 O ATOM 732 CB ASP A 49 18.402 -11.628 -3.097 1.00 0.00 C ATOM 733 CG ASP A 49 19.476 -11.070 -2.185 1.00 0.00 C ATOM 734 OD1 ASP A 49 19.255 -9.987 -1.603 1.00 0.00 O ATOM 735 OD2 ASP A 49 20.537 -11.715 -2.053 1.00 0.00 O ATOM 0 H ASP A 49 16.681 -13.138 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 49 17.340 -12.376 -1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.768 -12.540 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 18.202 -10.914 -3.896 1.00 0.00 H new ATOM 740 N PHE A 50 15.367 -10.359 -2.989 1.00 0.00 N ATOM 741 CA PHE A 50 14.555 -9.154 -2.875 1.00 0.00 C ATOM 742 C PHE A 50 13.714 -9.184 -1.602 1.00 0.00 C ATOM 743 O PHE A 50 12.848 -10.043 -1.438 1.00 0.00 O ATOM 744 CB PHE A 50 13.645 -9.009 -4.097 1.00 0.00 C ATOM 745 CG PHE A 50 14.277 -8.248 -5.227 1.00 0.00 C ATOM 746 CD1 PHE A 50 14.435 -6.874 -5.152 1.00 0.00 C ATOM 747 CD2 PHE A 50 14.713 -8.908 -6.365 1.00 0.00 C ATOM 748 CE1 PHE A 50 15.016 -6.172 -6.192 1.00 0.00 C ATOM 749 CE2 PHE A 50 15.295 -8.211 -7.408 1.00 0.00 C ATOM 750 CZ PHE A 50 15.447 -6.841 -7.320 1.00 0.00 C ATOM 0 H PHE A 50 15.134 -10.951 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 50 15.226 -8.297 -2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.363 -10.001 -4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.726 -8.504 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.101 -6.345 -4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.597 -9.979 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.133 -5.101 -6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.630 -8.737 -8.290 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.902 -6.294 -8.132 1.00 0.00 H new ATOM 760 N GLU A 51 13.977 -8.240 -0.704 1.00 0.00 N ATOM 761 CA GLU A 51 13.246 -8.159 0.556 1.00 0.00 C ATOM 762 C GLU A 51 12.391 -6.896 0.608 1.00 0.00 C ATOM 763 O GLU A 51 12.610 -5.953 -0.153 1.00 0.00 O ATOM 764 CB GLU A 51 14.218 -8.180 1.737 1.00 0.00 C ATOM 765 CG GLU A 51 15.290 -9.251 1.625 1.00 0.00 C ATOM 766 CD GLU A 51 16.032 -9.472 2.928 1.00 0.00 C ATOM 767 OE1 GLU A 51 16.976 -8.705 3.212 1.00 0.00 O ATOM 768 OE2 GLU A 51 15.669 -10.413 3.665 1.00 0.00 O ATOM 0 H GLU A 51 14.690 -7.521 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 51 12.588 -9.025 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.698 -7.205 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.655 -8.336 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.831 -10.188 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.002 -8.968 0.850 1.00 0.00 H new ATOM 775 N ARG A 52 11.417 -6.885 1.512 1.00 0.00 N ATOM 776 CA ARG A 52 10.528 -5.740 1.664 1.00 0.00 C ATOM 777 C ARG A 52 10.965 -4.863 2.833 1.00 0.00 C ATOM 778 O ARG A 52 11.429 -5.363 3.857 1.00 0.00 O ATOM 779 CB ARG A 52 9.088 -6.210 1.875 1.00 0.00 C ATOM 780 CG ARG A 52 8.075 -5.076 1.903 1.00 0.00 C ATOM 781 CD ARG A 52 6.678 -5.585 2.223 1.00 0.00 C ATOM 782 NE ARG A 52 6.449 -5.688 3.662 1.00 0.00 N ATOM 783 CZ ARG A 52 5.433 -6.354 4.199 1.00 0.00 C ATOM 784 NH1 ARG A 52 4.557 -6.973 3.420 1.00 0.00 N ATOM 785 NH2 ARG A 52 5.292 -6.402 5.517 1.00 0.00 N ATOM 0 H ARG A 52 11.224 -7.657 2.150 1.00 0.00 H new ATOM 0 HA ARG A 52 10.580 -5.148 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.821 -6.905 1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.029 -6.762 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.374 -4.338 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.067 -4.570 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.939 -4.914 1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.534 -6.562 1.762 1.00 0.00 H new ATOM 0 HE ARG A 52 7.105 -5.223 4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.662 -6.938 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.778 -7.484 3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.964 -5.927 6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.511 -6.914 5.928 1.00 0.00 H new ATOM 799 N MET A 53 10.815 -3.552 2.672 1.00 0.00 N ATOM 800 CA MET A 53 11.195 -2.606 3.715 1.00 0.00 C ATOM 801 C MET A 53 10.105 -2.504 4.778 1.00 0.00 C ATOM 802 O MET A 53 8.916 -2.535 4.466 1.00 0.00 O ATOM 803 CB MET A 53 11.464 -1.227 3.109 1.00 0.00 C ATOM 804 CG MET A 53 12.903 -1.030 2.664 1.00 0.00 C ATOM 805 SD MET A 53 14.037 -0.823 4.050 1.00 0.00 S ATOM 806 CE MET A 53 15.442 -1.778 3.484 1.00 0.00 C ATOM 0 H MET A 53 10.433 -3.121 1.830 1.00 0.00 H new ATOM 0 HA MET A 53 12.107 -2.971 4.188 1.00 0.00 H new ATOM 0 HB2 MET A 53 10.804 -1.080 2.254 1.00 0.00 H new ATOM 0 HB3 MET A 53 11.211 -0.461 3.842 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.216 -1.888 2.069 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.963 -0.155 2.017 1.00 0.00 H new ATOM 0 HE1 MET A 53 16.334 -1.473 4.032 1.00 0.00 H new ATOM 0 HE2 MET A 53 15.255 -2.838 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 53 15.594 -1.605 2.418 1.00 0.00 H new