USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 826 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.00564 USER MOD Single : A 3 THR OG1 : rot -60:sc= 0.561 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= -1.14 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 166:sc= -1.74 (180deg=-2.4) USER MOD Single : A 28 ASN : amide:sc= -0.698 K(o=-0.7,f=-2.2!) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 40 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.5!) USER MOD Single : A 52 THR OG1 : rot 160:sc= -0.566 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.75 K(o=-0.75,f=-0.054) USER MOD Single : A 80 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD Single : A 83 MET CE :methyl -126:sc= -1.71 (180deg=-6.89!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -16:sc= -0.649! USER MOD Single : A 94 HIS : no HD1:sc= -3.3 K(o=-3.3,f=-4.8!) USER MOD Single : A 102 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-1.9!) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.421) USER MOD Single : A 107 LYS NZ :NH3+ -120:sc= -0.0208 (180deg=-0.0307) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 189.258 -22.201 7.306 1.00 0.00 N ATOM 2 CA MET A 1 189.578 -20.772 7.566 1.00 0.00 C ATOM 3 C MET A 1 189.677 -19.981 6.266 1.00 0.00 C ATOM 4 O MET A 1 190.764 -19.805 5.716 1.00 0.00 O ATOM 5 CB MET A 1 190.904 -20.698 8.325 1.00 0.00 C ATOM 6 CG MET A 1 191.337 -19.278 8.654 1.00 0.00 C ATOM 7 SD MET A 1 193.108 -19.020 8.431 1.00 0.00 S ATOM 8 CE MET A 1 193.718 -19.417 10.067 1.00 0.00 C ATOM 0 H1 MET A 1 189.197 -22.713 8.209 1.00 0.00 H new ATOM 0 H2 MET A 1 188.347 -22.268 6.808 1.00 0.00 H new ATOM 0 H3 MET A 1 190.005 -22.623 6.719 1.00 0.00 H new ATOM 0 HA MET A 1 188.777 -20.332 8.160 1.00 0.00 H new ATOM 0 HB2 MET A 1 190.815 -21.266 9.251 1.00 0.00 H new ATOM 0 HB3 MET A 1 191.681 -21.178 7.730 1.00 0.00 H new ATOM 0 HG2 MET A 1 190.790 -18.580 8.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 191.068 -19.050 9.685 1.00 0.00 H new ATOM 0 HE1 MET A 1 194.802 -19.304 10.089 1.00 0.00 H new ATOM 0 HE2 MET A 1 193.268 -18.743 10.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 193.456 -20.446 10.313 1.00 0.00 H new ATOM 18 N THR A 2 188.536 -19.501 5.780 1.00 0.00 N ATOM 19 CA THR A 2 188.501 -18.724 4.547 1.00 0.00 C ATOM 20 C THR A 2 187.531 -17.547 4.694 1.00 0.00 C ATOM 21 O THR A 2 186.649 -17.332 3.864 1.00 0.00 O ATOM 22 CB THR A 2 188.118 -19.645 3.365 1.00 0.00 C ATOM 23 OG1 THR A 2 189.264 -20.313 2.872 1.00 0.00 O ATOM 24 CG2 THR A 2 187.457 -18.956 2.175 1.00 0.00 C ATOM 0 H THR A 2 187.626 -19.636 6.220 1.00 0.00 H new ATOM 0 HA THR A 2 189.488 -18.309 4.343 1.00 0.00 H new ATOM 0 HB THR A 2 187.381 -20.324 3.795 1.00 0.00 H new ATOM 0 HG1 THR A 2 189.947 -20.352 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 2 187.232 -19.695 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 2 186.533 -18.476 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 2 188.133 -18.204 1.768 1.00 0.00 H new ATOM 32 N THR A 3 187.703 -16.787 5.771 1.00 0.00 N ATOM 33 CA THR A 3 186.848 -15.637 6.039 1.00 0.00 C ATOM 34 C THR A 3 187.424 -14.370 5.411 1.00 0.00 C ATOM 35 O THR A 3 187.783 -13.423 6.113 1.00 0.00 O ATOM 36 CB THR A 3 186.677 -15.444 7.547 1.00 0.00 C ATOM 37 OG1 THR A 3 185.941 -14.265 7.821 1.00 0.00 O ATOM 38 CG2 THR A 3 187.991 -15.351 8.292 1.00 0.00 C ATOM 0 H THR A 3 188.427 -16.947 6.472 1.00 0.00 H new ATOM 0 HA THR A 3 185.873 -15.828 5.592 1.00 0.00 H new ATOM 0 HB THR A 3 186.145 -16.330 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 3 186.419 -13.490 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 3 187.797 -15.215 9.356 1.00 0.00 H new ATOM 0 HG22 THR A 3 188.560 -16.268 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 3 188.563 -14.503 7.916 1.00 0.00 H new ATOM 46 N GLU A 4 187.507 -14.357 4.085 1.00 0.00 N ATOM 47 CA GLU A 4 188.035 -13.204 3.364 1.00 0.00 C ATOM 48 C GLU A 4 186.965 -12.128 3.213 1.00 0.00 C ATOM 49 O GLU A 4 185.905 -12.370 2.637 1.00 0.00 O ATOM 50 CB GLU A 4 188.550 -13.626 1.986 1.00 0.00 C ATOM 51 CG GLU A 4 187.564 -14.475 1.201 1.00 0.00 C ATOM 52 CD GLU A 4 187.760 -14.361 -0.298 1.00 0.00 C ATOM 53 OE1 GLU A 4 187.313 -13.350 -0.879 1.00 0.00 O ATOM 54 OE2 GLU A 4 188.361 -15.282 -0.890 1.00 0.00 O ATOM 0 H GLU A 4 187.216 -15.131 3.488 1.00 0.00 H new ATOM 0 HA GLU A 4 188.864 -12.793 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 4 188.789 -12.733 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 4 189.478 -14.183 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 4 187.671 -15.518 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 4 186.548 -14.173 1.455 1.00 0.00 H new ATOM 61 N ILE A 5 187.248 -10.940 3.737 1.00 0.00 N ATOM 62 CA ILE A 5 186.305 -9.830 3.662 1.00 0.00 C ATOM 63 C ILE A 5 186.567 -8.960 2.438 1.00 0.00 C ATOM 64 O ILE A 5 187.696 -8.534 2.195 1.00 0.00 O ATOM 65 CB ILE A 5 186.368 -8.947 4.923 1.00 0.00 C ATOM 66 CG1 ILE A 5 186.384 -9.814 6.183 1.00 0.00 C ATOM 67 CG2 ILE A 5 185.191 -7.983 4.953 1.00 0.00 C ATOM 68 CD1 ILE A 5 185.117 -10.618 6.381 1.00 0.00 C ATOM 0 H ILE A 5 188.121 -10.721 4.217 1.00 0.00 H new ATOM 0 HA ILE A 5 185.312 -10.272 3.585 1.00 0.00 H new ATOM 0 HB ILE A 5 187.290 -8.366 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 5 187.233 -10.496 6.134 1.00 0.00 H new ATOM 0 HG13 ILE A 5 186.538 -9.175 7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 5 185.249 -7.366 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 5 185.221 -7.344 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 5 184.259 -8.547 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 5 185.200 -11.209 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 5 184.266 -9.942 6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 5 184.972 -11.284 5.530 1.00 0.00 H new ATOM 80 N LYS A 6 185.511 -8.695 1.677 1.00 0.00 N ATOM 81 CA LYS A 6 185.613 -7.868 0.480 1.00 0.00 C ATOM 82 C LYS A 6 184.594 -6.735 0.529 1.00 0.00 C ATOM 83 O LYS A 6 183.460 -6.932 0.962 1.00 0.00 O ATOM 84 CB LYS A 6 185.396 -8.718 -0.775 1.00 0.00 C ATOM 85 CG LYS A 6 186.452 -8.500 -1.848 1.00 0.00 C ATOM 86 CD LYS A 6 185.962 -7.549 -2.928 1.00 0.00 C ATOM 87 CE LYS A 6 186.682 -7.786 -4.246 1.00 0.00 C ATOM 88 NZ LYS A 6 186.746 -6.550 -5.075 1.00 0.00 N ATOM 0 H LYS A 6 184.571 -9.042 1.869 1.00 0.00 H new ATOM 0 HA LYS A 6 186.613 -7.437 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.388 -9.771 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.414 -8.492 -1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.357 -8.099 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 6 186.718 -9.457 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 6 184.889 -7.679 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 6 186.119 -6.519 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 6 187.693 -8.143 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 6 186.170 -8.571 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 187.244 -6.754 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 185.781 -6.223 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 187.257 -5.809 -4.554 1.00 0.00 H new ATOM 102 N LYS A 7 185.005 -5.550 0.093 1.00 0.00 N ATOM 103 CA LYS A 7 184.122 -4.388 0.100 1.00 0.00 C ATOM 104 C LYS A 7 183.336 -4.280 -1.202 1.00 0.00 C ATOM 105 O LYS A 7 183.551 -5.049 -2.139 1.00 0.00 O ATOM 106 CB LYS A 7 184.933 -3.110 0.327 1.00 0.00 C ATOM 107 CG LYS A 7 185.071 -2.728 1.793 1.00 0.00 C ATOM 108 CD LYS A 7 184.238 -1.503 2.134 1.00 0.00 C ATOM 109 CE LYS A 7 184.976 -0.573 3.085 1.00 0.00 C ATOM 110 NZ LYS A 7 184.058 0.051 4.077 1.00 0.00 N ATOM 0 H LYS A 7 185.941 -5.368 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 7 183.410 -4.514 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.927 -3.240 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.459 -2.289 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.761 -3.565 2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 7 186.119 -2.531 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.988 -0.966 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 7 183.297 -1.816 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 7 185.752 -1.131 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 7 185.477 0.208 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 184.600 0.677 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 183.333 0.605 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 183.599 -0.693 4.641 1.00 0.00 H new ATOM 124 N LEU A 8 182.421 -3.316 -1.249 1.00 0.00 N ATOM 125 CA LEU A 8 181.594 -3.094 -2.428 1.00 0.00 C ATOM 126 C LEU A 8 181.694 -1.645 -2.897 1.00 0.00 C ATOM 127 O LEU A 8 181.919 -0.738 -2.097 1.00 0.00 O ATOM 128 CB LEU A 8 180.135 -3.445 -2.123 1.00 0.00 C ATOM 129 CG LEU A 8 179.619 -4.710 -2.804 1.00 0.00 C ATOM 130 CD1 LEU A 8 178.309 -5.159 -2.176 1.00 0.00 C ATOM 131 CD2 LEU A 8 179.444 -4.476 -4.297 1.00 0.00 C ATOM 0 H LEU A 8 182.234 -2.674 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 8 181.958 -3.741 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 8 180.022 -3.559 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.505 -2.607 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 8 180.355 -5.502 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.957 -6.062 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 8 178.465 -5.367 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 8 177.564 -4.371 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 8 179.076 -5.388 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.728 -3.670 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 8 180.403 -4.203 -4.737 1.00 0.00 H new ATOM 143 N ASP A 9 181.522 -1.437 -4.198 1.00 0.00 N ATOM 144 CA ASP A 9 181.590 -0.098 -4.772 1.00 0.00 C ATOM 145 C ASP A 9 180.274 0.648 -4.562 1.00 0.00 C ATOM 146 O ASP A 9 179.202 0.042 -4.555 1.00 0.00 O ATOM 147 CB ASP A 9 181.918 -0.176 -6.265 1.00 0.00 C ATOM 148 CG ASP A 9 183.373 0.139 -6.553 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.208 -0.786 -6.472 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.677 1.310 -6.861 1.00 0.00 O ATOM 0 H ASP A 9 181.335 -2.177 -4.874 1.00 0.00 H new ATOM 0 HA ASP A 9 182.383 0.451 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.685 -1.175 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.283 0.522 -6.811 1.00 0.00 H new ATOM 155 N PRO A 10 180.337 1.980 -4.387 1.00 0.00 N ATOM 156 CA PRO A 10 179.143 2.807 -4.175 1.00 0.00 C ATOM 157 C PRO A 10 178.079 2.573 -5.242 1.00 0.00 C ATOM 158 O PRO A 10 176.928 2.270 -4.929 1.00 0.00 O ATOM 159 CB PRO A 10 179.681 4.237 -4.261 1.00 0.00 C ATOM 160 CG PRO A 10 181.116 4.125 -3.879 1.00 0.00 C ATOM 161 CD PRO A 10 181.574 2.783 -4.380 1.00 0.00 C ATOM 0 HA PRO A 10 178.652 2.578 -3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.569 4.642 -5.267 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.143 4.904 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.702 4.929 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.239 4.201 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.012 2.854 -5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.332 2.348 -3.728 1.00 0.00 H new ATOM 169 N ASP A 11 178.471 2.716 -6.504 1.00 0.00 N ATOM 170 CA ASP A 11 177.550 2.521 -7.618 1.00 0.00 C ATOM 171 C ASP A 11 177.123 1.059 -7.723 1.00 0.00 C ATOM 172 O ASP A 11 176.018 0.756 -8.171 1.00 0.00 O ATOM 173 CB ASP A 11 178.200 2.973 -8.928 1.00 0.00 C ATOM 174 CG ASP A 11 177.569 4.235 -9.482 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.616 5.274 -8.792 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.028 4.183 -10.607 1.00 0.00 O ATOM 0 H ASP A 11 179.420 2.966 -6.781 1.00 0.00 H new ATOM 0 HA ASP A 11 176.662 3.126 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.264 3.145 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.117 2.175 -9.666 1.00 0.00 H new ATOM 181 N THR A 12 178.009 0.158 -7.309 1.00 0.00 N ATOM 182 CA THR A 12 177.725 -1.271 -7.360 1.00 0.00 C ATOM 183 C THR A 12 176.634 -1.649 -6.363 1.00 0.00 C ATOM 184 O THR A 12 175.643 -2.287 -6.725 1.00 0.00 O ATOM 185 CB THR A 12 178.995 -2.075 -7.077 1.00 0.00 C ATOM 186 OG1 THR A 12 180.023 -1.721 -7.985 1.00 0.00 O ATOM 187 CG2 THR A 12 178.791 -3.571 -7.175 1.00 0.00 C ATOM 0 H THR A 12 178.929 0.393 -6.935 1.00 0.00 H new ATOM 0 HA THR A 12 177.369 -1.508 -8.363 1.00 0.00 H new ATOM 0 HB THR A 12 179.271 -1.830 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.609 -2.492 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.731 -4.081 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 12 178.037 -3.884 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 12 178.458 -3.828 -8.181 1.00 0.00 H new ATOM 195 N ALA A 13 176.813 -1.244 -5.108 1.00 0.00 N ATOM 196 CA ALA A 13 175.835 -1.537 -4.068 1.00 0.00 C ATOM 197 C ALA A 13 174.519 -0.822 -4.346 1.00 0.00 C ATOM 198 O ALA A 13 173.458 -1.445 -4.379 1.00 0.00 O ATOM 199 CB ALA A 13 176.378 -1.138 -2.704 1.00 0.00 C ATOM 0 H ALA A 13 177.624 -0.714 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 13 175.646 -2.611 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.637 -1.363 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.292 -1.695 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.595 -0.070 -2.697 1.00 0.00 H new ATOM 205 N ILE A 14 174.597 0.491 -4.553 1.00 0.00 N ATOM 206 CA ILE A 14 173.413 1.296 -4.838 1.00 0.00 C ATOM 207 C ILE A 14 172.553 0.634 -5.912 1.00 0.00 C ATOM 208 O ILE A 14 171.326 0.725 -5.887 1.00 0.00 O ATOM 209 CB ILE A 14 173.808 2.717 -5.298 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.403 3.505 -4.130 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.609 3.452 -5.882 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.091 4.785 -4.553 1.00 0.00 C ATOM 0 H ILE A 14 175.469 1.020 -4.528 1.00 0.00 H new ATOM 0 HA ILE A 14 172.837 1.371 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 14 174.562 2.627 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.609 3.745 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.119 2.874 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.913 4.450 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.226 2.900 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.828 3.533 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.489 5.292 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.907 4.551 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.374 5.436 -5.053 1.00 0.00 H new ATOM 224 N ASP A 15 173.212 -0.040 -6.847 1.00 0.00 N ATOM 225 CA ASP A 15 172.518 -0.731 -7.925 1.00 0.00 C ATOM 226 C ASP A 15 171.790 -1.959 -7.390 1.00 0.00 C ATOM 227 O ASP A 15 170.688 -2.284 -7.835 1.00 0.00 O ATOM 228 CB ASP A 15 173.507 -1.143 -9.017 1.00 0.00 C ATOM 229 CG ASP A 15 172.862 -1.207 -10.387 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.454 -0.145 -10.902 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.765 -2.320 -10.946 1.00 0.00 O ATOM 0 H ASP A 15 174.228 -0.122 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 15 171.784 -0.049 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.334 -0.433 -9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.930 -2.117 -8.772 1.00 0.00 H new ATOM 236 N ILE A 16 172.411 -2.635 -6.427 1.00 0.00 N ATOM 237 CA ILE A 16 171.818 -3.825 -5.827 1.00 0.00 C ATOM 238 C ILE A 16 170.498 -3.492 -5.139 1.00 0.00 C ATOM 239 O ILE A 16 169.442 -3.991 -5.526 1.00 0.00 O ATOM 240 CB ILE A 16 172.767 -4.476 -4.799 1.00 0.00 C ATOM 241 CG1 ILE A 16 174.155 -4.699 -5.400 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.194 -5.792 -4.306 1.00 0.00 C ATOM 243 CD1 ILE A 16 174.133 -5.285 -6.797 1.00 0.00 C ATOM 0 H ILE A 16 173.322 -2.379 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 16 171.638 -4.529 -6.639 1.00 0.00 H new ATOM 0 HB ILE A 16 172.865 -3.795 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.687 -3.748 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 16 174.720 -5.364 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.876 -6.237 -3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.228 -5.614 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 16 172.065 -6.471 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.155 -5.413 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 16 173.631 -6.252 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.597 -4.611 -7.466 1.00 0.00 H new ATOM 255 N ALA A 17 170.567 -2.646 -4.114 1.00 0.00 N ATOM 256 CA ALA A 17 169.379 -2.247 -3.365 1.00 0.00 C ATOM 257 C ALA A 17 168.279 -1.737 -4.291 1.00 0.00 C ATOM 258 O ALA A 17 167.102 -2.037 -4.096 1.00 0.00 O ATOM 259 CB ALA A 17 169.736 -1.183 -2.339 1.00 0.00 C ATOM 0 H ALA A 17 171.434 -2.223 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 17 168.999 -3.129 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.841 -0.894 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.477 -1.580 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.146 -0.310 -2.847 1.00 0.00 H new ATOM 265 N TYR A 18 168.670 -0.963 -5.299 1.00 0.00 N ATOM 266 CA TYR A 18 167.715 -0.410 -6.254 1.00 0.00 C ATOM 267 C TYR A 18 166.849 -1.510 -6.861 1.00 0.00 C ATOM 268 O TYR A 18 165.620 -1.469 -6.770 1.00 0.00 O ATOM 269 CB TYR A 18 168.450 0.347 -7.361 1.00 0.00 C ATOM 270 CG TYR A 18 167.569 1.307 -8.128 1.00 0.00 C ATOM 271 CD1 TYR A 18 167.346 2.598 -7.665 1.00 0.00 C ATOM 272 CD2 TYR A 18 166.960 0.923 -9.316 1.00 0.00 C ATOM 273 CE1 TYR A 18 166.542 3.478 -8.363 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.154 1.798 -10.021 1.00 0.00 C ATOM 275 CZ TYR A 18 165.948 3.074 -9.540 1.00 0.00 C ATOM 276 OH TYR A 18 165.147 3.947 -10.238 1.00 0.00 O ATOM 0 H TYR A 18 169.641 -0.705 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 18 167.065 0.283 -5.719 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.280 0.901 -6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.881 -0.373 -8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 18 167.809 2.919 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.119 -0.076 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 18 166.379 4.478 -7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 18 165.688 1.484 -10.943 1.00 0.00 H new ATOM 0 HH TYR A 18 164.807 3.506 -11.045 1.00 0.00 H new ATOM 286 N ASP A 19 167.496 -2.493 -7.480 1.00 0.00 N ATOM 287 CA ASP A 19 166.780 -3.603 -8.098 1.00 0.00 C ATOM 288 C ASP A 19 165.980 -4.381 -7.057 1.00 0.00 C ATOM 289 O ASP A 19 164.943 -4.965 -7.370 1.00 0.00 O ATOM 290 CB ASP A 19 167.755 -4.536 -8.820 1.00 0.00 C ATOM 291 CG ASP A 19 168.708 -5.232 -7.868 1.00 0.00 C ATOM 292 OD1 ASP A 19 168.236 -6.044 -7.044 1.00 0.00 O ATOM 293 OD2 ASP A 19 169.925 -4.967 -7.948 1.00 0.00 O ATOM 0 H ASP A 19 168.511 -2.543 -7.567 1.00 0.00 H new ATOM 0 HA ASP A 19 166.084 -3.190 -8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 19 167.191 -5.285 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 19 168.329 -3.963 -9.548 1.00 0.00 H new ATOM 298 N ILE A 20 166.461 -4.377 -5.816 1.00 0.00 N ATOM 299 CA ILE A 20 165.781 -5.078 -4.733 1.00 0.00 C ATOM 300 C ILE A 20 164.530 -4.322 -4.298 1.00 0.00 C ATOM 301 O ILE A 20 163.592 -4.914 -3.768 1.00 0.00 O ATOM 302 CB ILE A 20 166.706 -5.275 -3.511 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.925 -6.116 -3.896 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.947 -5.933 -2.363 1.00 0.00 C ATOM 305 CD1 ILE A 20 169.043 -6.064 -2.876 1.00 0.00 C ATOM 0 H ILE A 20 167.317 -3.897 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 20 165.499 -6.058 -5.118 1.00 0.00 H new ATOM 0 HB ILE A 20 167.050 -4.296 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.614 -7.152 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 20 168.305 -5.771 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.616 -6.063 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 20 165.108 -5.301 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.574 -6.906 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.874 -6.683 -3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 20 169.382 -5.034 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.680 -6.437 -1.918 1.00 0.00 H new ATOM 317 N PHE A 21 164.515 -3.015 -4.530 1.00 0.00 N ATOM 318 CA PHE A 21 163.371 -2.194 -4.163 1.00 0.00 C ATOM 319 C PHE A 21 162.218 -2.417 -5.140 1.00 0.00 C ATOM 320 O PHE A 21 161.091 -2.690 -4.734 1.00 0.00 O ATOM 321 CB PHE A 21 163.773 -0.713 -4.135 1.00 0.00 C ATOM 322 CG PHE A 21 162.608 0.238 -4.170 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.521 0.051 -3.333 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.598 1.310 -5.047 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.446 0.917 -3.367 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.524 2.179 -5.088 1.00 0.00 C ATOM 327 CZ PHE A 21 160.446 1.982 -4.247 1.00 0.00 C ATOM 0 H PHE A 21 165.280 -2.503 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 21 163.037 -2.484 -3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.357 -0.523 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.422 -0.507 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.514 -0.782 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.439 1.469 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.606 0.762 -2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.528 3.011 -5.777 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.605 2.659 -4.277 1.00 0.00 H new ATOM 337 N LEU A 22 162.509 -2.292 -6.429 1.00 0.00 N ATOM 338 CA LEU A 22 161.496 -2.471 -7.465 1.00 0.00 C ATOM 339 C LEU A 22 160.984 -3.910 -7.516 1.00 0.00 C ATOM 340 O LEU A 22 159.907 -4.172 -8.053 1.00 0.00 O ATOM 341 CB LEU A 22 162.072 -2.087 -8.831 1.00 0.00 C ATOM 342 CG LEU A 22 162.261 -0.585 -9.083 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.410 0.184 -7.776 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.472 -0.356 -9.973 1.00 0.00 C ATOM 0 H LEU A 22 163.439 -2.067 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 22 160.656 -1.822 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.038 -2.579 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.416 -2.485 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 22 161.370 -0.211 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.542 1.244 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.516 0.045 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.279 -0.187 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.599 0.713 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.362 -0.753 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.324 -0.864 -10.926 1.00 0.00 H new ATOM 356 N GLU A 23 161.764 -4.843 -6.980 1.00 0.00 N ATOM 357 CA GLU A 23 161.385 -6.252 -6.995 1.00 0.00 C ATOM 358 C GLU A 23 160.711 -6.681 -5.688 1.00 0.00 C ATOM 359 O GLU A 23 159.682 -7.358 -5.710 1.00 0.00 O ATOM 360 CB GLU A 23 162.624 -7.114 -7.273 1.00 0.00 C ATOM 361 CG GLU A 23 162.633 -8.453 -6.552 1.00 0.00 C ATOM 362 CD GLU A 23 163.544 -9.467 -7.215 1.00 0.00 C ATOM 363 OE1 GLU A 23 164.608 -9.063 -7.729 1.00 0.00 O ATOM 364 OE2 GLU A 23 163.194 -10.666 -7.220 1.00 0.00 O ATOM 0 H GLU A 23 162.659 -4.650 -6.531 1.00 0.00 H new ATOM 0 HA GLU A 23 160.654 -6.396 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 23 162.694 -7.293 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 23 163.513 -6.554 -6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.952 -8.304 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.618 -8.850 -6.518 1.00 0.00 H new ATOM 371 N MET A 24 161.300 -6.309 -4.556 1.00 0.00 N ATOM 372 CA MET A 24 160.752 -6.688 -3.255 1.00 0.00 C ATOM 373 C MET A 24 159.589 -5.788 -2.840 1.00 0.00 C ATOM 374 O MET A 24 158.591 -6.267 -2.301 1.00 0.00 O ATOM 375 CB MET A 24 161.848 -6.662 -2.188 1.00 0.00 C ATOM 376 CG MET A 24 161.878 -7.911 -1.324 1.00 0.00 C ATOM 377 SD MET A 24 162.855 -7.694 0.175 1.00 0.00 S ATOM 378 CE MET A 24 161.593 -7.143 1.317 1.00 0.00 C ATOM 0 H MET A 24 162.151 -5.749 -4.511 1.00 0.00 H new ATOM 0 HA MET A 24 160.365 -7.703 -3.348 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.816 -6.542 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.703 -5.791 -1.549 1.00 0.00 H new ATOM 0 HG2 MET A 24 160.859 -8.185 -1.052 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.287 -8.739 -1.903 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.974 -7.203 2.337 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.323 -6.112 1.090 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.713 -7.778 1.221 1.00 0.00 H new ATOM 388 N ALA A 25 159.717 -4.487 -3.084 1.00 0.00 N ATOM 389 CA ALA A 25 158.663 -3.537 -2.722 1.00 0.00 C ATOM 390 C ALA A 25 157.308 -3.970 -3.278 1.00 0.00 C ATOM 391 O ALA A 25 157.233 -4.620 -4.320 1.00 0.00 O ATOM 392 CB ALA A 25 159.008 -2.142 -3.217 1.00 0.00 C ATOM 0 H ALA A 25 160.533 -4.066 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 25 158.594 -3.520 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.213 -1.450 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.946 -1.818 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.113 -2.156 -4.302 1.00 0.00 H new ATOM 398 N GLY A 26 156.240 -3.603 -2.576 1.00 0.00 N ATOM 399 CA GLY A 26 154.903 -3.961 -3.016 1.00 0.00 C ATOM 400 C GLY A 26 154.356 -5.176 -2.293 1.00 0.00 C ATOM 401 O GLY A 26 153.733 -6.043 -2.905 1.00 0.00 O ATOM 0 H GLY A 26 156.276 -3.064 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.234 -3.116 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.918 -4.157 -4.088 1.00 0.00 H new ATOM 405 N GLU A 27 154.595 -5.242 -0.987 1.00 0.00 N ATOM 406 CA GLU A 27 154.124 -6.366 -0.182 1.00 0.00 C ATOM 407 C GLU A 27 154.339 -6.120 1.312 1.00 0.00 C ATOM 408 O GLU A 27 153.584 -6.624 2.144 1.00 0.00 O ATOM 409 CB GLU A 27 154.837 -7.652 -0.603 1.00 0.00 C ATOM 410 CG GLU A 27 156.333 -7.635 -0.334 1.00 0.00 C ATOM 411 CD GLU A 27 157.095 -8.598 -1.223 1.00 0.00 C ATOM 412 OE1 GLU A 27 157.022 -8.446 -2.461 1.00 0.00 O ATOM 413 OE2 GLU A 27 157.763 -9.504 -0.682 1.00 0.00 O ATOM 0 H GLU A 27 155.110 -4.534 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 27 153.053 -6.469 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 27 154.391 -8.494 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 27 154.670 -7.819 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 27 156.715 -6.625 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 27 156.514 -7.889 0.710 1.00 0.00 H new ATOM 420 N ASN A 28 155.365 -5.343 1.650 1.00 0.00 N ATOM 421 CA ASN A 28 155.661 -5.038 3.044 1.00 0.00 C ATOM 422 C ASN A 28 155.499 -3.546 3.324 1.00 0.00 C ATOM 423 O ASN A 28 155.065 -3.153 4.407 1.00 0.00 O ATOM 424 CB ASN A 28 157.079 -5.487 3.398 1.00 0.00 C ATOM 425 CG ASN A 28 157.231 -5.801 4.873 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.248 -6.054 5.569 1.00 0.00 O ATOM 427 ND2 ASN A 28 158.467 -5.788 5.356 1.00 0.00 N ATOM 0 H ASN A 28 156.003 -4.915 0.979 1.00 0.00 H new ATOM 0 HA ASN A 28 154.951 -5.583 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.335 -6.370 2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.785 -4.705 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 28 158.632 -5.993 6.341 1.00 0.00 H new ATOM 0 HD22 ASN A 28 159.252 -5.573 4.742 1.00 0.00 H new ATOM 434 N LEU A 29 155.847 -2.718 2.343 1.00 0.00 N ATOM 435 CA LEU A 29 155.734 -1.270 2.489 1.00 0.00 C ATOM 436 C LEU A 29 154.266 -0.851 2.559 1.00 0.00 C ATOM 437 O LEU A 29 153.436 -1.321 1.781 1.00 0.00 O ATOM 438 CB LEU A 29 156.446 -0.566 1.331 1.00 0.00 C ATOM 439 CG LEU A 29 156.394 0.966 1.360 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.769 1.568 1.129 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.420 1.484 0.314 1.00 0.00 C ATOM 0 H LEU A 29 156.209 -3.024 1.440 1.00 0.00 H new ATOM 0 HA LEU A 29 156.215 -0.973 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.491 -0.877 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.007 -0.910 0.394 1.00 0.00 H new ATOM 0 HG LEU A 29 156.050 1.268 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.699 2.655 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.450 1.229 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.146 1.252 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.395 2.573 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.742 1.159 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.424 1.092 0.519 1.00 0.00 H new ATOM 453 N ASP A 30 153.956 0.017 3.516 1.00 0.00 N ATOM 454 CA ASP A 30 152.587 0.494 3.725 1.00 0.00 C ATOM 455 C ASP A 30 151.981 1.078 2.447 1.00 0.00 C ATOM 456 O ASP A 30 152.679 1.676 1.634 1.00 0.00 O ATOM 457 CB ASP A 30 152.559 1.538 4.845 1.00 0.00 C ATOM 458 CG ASP A 30 151.898 1.014 6.105 1.00 0.00 C ATOM 459 OD1 ASP A 30 152.160 -0.151 6.472 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.118 1.767 6.724 1.00 0.00 O ATOM 0 H ASP A 30 154.638 0.409 4.166 1.00 0.00 H new ATOM 0 HA ASP A 30 151.981 -0.365 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.578 1.849 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.026 2.424 4.499 1.00 0.00 H new ATOM 465 N PRO A 31 150.658 0.910 2.257 1.00 0.00 N ATOM 466 CA PRO A 31 149.951 1.418 1.074 1.00 0.00 C ATOM 467 C PRO A 31 150.292 2.872 0.753 1.00 0.00 C ATOM 468 O PRO A 31 150.668 3.194 -0.373 1.00 0.00 O ATOM 469 CB PRO A 31 148.480 1.289 1.465 1.00 0.00 C ATOM 470 CG PRO A 31 148.447 0.151 2.424 1.00 0.00 C ATOM 471 CD PRO A 31 149.745 0.209 3.183 1.00 0.00 C ATOM 0 HA PRO A 31 150.224 0.867 0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.110 2.206 1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.854 1.093 0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.596 0.235 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.344 -0.799 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.636 0.749 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.111 -0.788 3.428 1.00 0.00 H new ATOM 479 N ALA A 32 150.157 3.749 1.742 1.00 0.00 N ATOM 480 CA ALA A 32 150.452 5.167 1.548 1.00 0.00 C ATOM 481 C ALA A 32 151.847 5.361 0.961 1.00 0.00 C ATOM 482 O ALA A 32 152.021 6.025 -0.066 1.00 0.00 O ATOM 483 CB ALA A 32 150.321 5.917 2.865 1.00 0.00 C ATOM 0 H ALA A 32 149.847 3.506 2.683 1.00 0.00 H new ATOM 0 HA ALA A 32 149.729 5.571 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.543 6.972 2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.304 5.813 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.022 5.504 3.590 1.00 0.00 H new ATOM 489 N ASP A 33 152.839 4.772 1.622 1.00 0.00 N ATOM 490 CA ASP A 33 154.221 4.872 1.172 1.00 0.00 C ATOM 491 C ASP A 33 154.350 4.418 -0.279 1.00 0.00 C ATOM 492 O ASP A 33 155.174 4.940 -1.025 1.00 0.00 O ATOM 493 CB ASP A 33 155.140 4.044 2.075 1.00 0.00 C ATOM 494 CG ASP A 33 155.278 4.643 3.461 1.00 0.00 C ATOM 495 OD1 ASP A 33 155.335 5.885 3.569 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.327 3.868 4.440 1.00 0.00 O ATOM 0 H ASP A 33 152.710 4.221 2.471 1.00 0.00 H new ATOM 0 HA ASP A 33 154.525 5.917 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.748 3.030 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.125 3.968 1.615 1.00 0.00 H new ATOM 501 N ILE A 34 153.515 3.462 -0.682 1.00 0.00 N ATOM 502 CA ILE A 34 153.536 2.969 -2.056 1.00 0.00 C ATOM 503 C ILE A 34 153.153 4.087 -3.018 1.00 0.00 C ATOM 504 O ILE A 34 153.826 4.319 -4.022 1.00 0.00 O ATOM 505 CB ILE A 34 152.575 1.773 -2.253 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.037 0.573 -1.428 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.476 1.396 -3.725 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.066 -0.587 -1.455 1.00 0.00 C ATOM 0 H ILE A 34 152.821 3.017 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 34 154.550 2.628 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 34 151.585 2.072 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.004 0.236 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.186 0.888 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.795 0.553 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.100 2.246 -4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.462 1.119 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.458 -1.404 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.105 -0.266 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.935 -0.928 -2.482 1.00 0.00 H new ATOM 520 N LEU A 35 152.068 4.784 -2.692 1.00 0.00 N ATOM 521 CA LEU A 35 151.587 5.891 -3.511 1.00 0.00 C ATOM 522 C LEU A 35 152.722 6.861 -3.823 1.00 0.00 C ATOM 523 O LEU A 35 153.024 7.124 -4.987 1.00 0.00 O ATOM 524 CB LEU A 35 150.448 6.622 -2.788 1.00 0.00 C ATOM 525 CG LEU A 35 150.091 8.009 -3.335 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.949 7.912 -4.335 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.725 8.948 -2.196 1.00 0.00 C ATOM 0 H LEU A 35 151.504 4.600 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 35 151.210 5.490 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.557 5.996 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.718 6.725 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 35 150.963 8.412 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.710 8.906 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 35 149.246 7.271 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 35 148.072 7.489 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.474 9.929 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.867 8.548 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.571 9.041 -1.515 1.00 0.00 H new ATOM 539 N LEU A 36 153.347 7.389 -2.776 1.00 0.00 N ATOM 540 CA LEU A 36 154.448 8.331 -2.947 1.00 0.00 C ATOM 541 C LEU A 36 155.630 7.669 -3.654 1.00 0.00 C ATOM 542 O LEU A 36 156.017 8.077 -4.745 1.00 0.00 O ATOM 543 CB LEU A 36 154.888 8.888 -1.590 1.00 0.00 C ATOM 544 CG LEU A 36 154.320 10.266 -1.244 1.00 0.00 C ATOM 545 CD1 LEU A 36 152.825 10.177 -0.981 1.00 0.00 C ATOM 546 CD2 LEU A 36 155.042 10.853 -0.040 1.00 0.00 C ATOM 0 H LEU A 36 153.112 7.182 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 36 154.096 9.154 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.593 8.184 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.976 8.945 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 36 154.479 10.928 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 152.439 11.167 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 36 152.321 9.800 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 36 152.642 9.500 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 154.625 11.833 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.915 10.193 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 36 156.103 10.954 -0.266 1.00 0.00 H new ATOM 558 N PHE A 37 156.200 6.646 -3.024 1.00 0.00 N ATOM 559 CA PHE A 37 157.342 5.922 -3.587 1.00 0.00 C ATOM 560 C PHE A 37 157.171 5.657 -5.084 1.00 0.00 C ATOM 561 O PHE A 37 158.153 5.569 -5.816 1.00 0.00 O ATOM 562 CB PHE A 37 157.521 4.588 -2.855 1.00 0.00 C ATOM 563 CG PHE A 37 158.945 4.240 -2.511 1.00 0.00 C ATOM 564 CD1 PHE A 37 160.014 4.844 -3.157 1.00 0.00 C ATOM 565 CD2 PHE A 37 159.208 3.295 -1.533 1.00 0.00 C ATOM 566 CE1 PHE A 37 161.315 4.511 -2.831 1.00 0.00 C ATOM 567 CE2 PHE A 37 160.506 2.958 -1.204 1.00 0.00 C ATOM 568 CZ PHE A 37 161.561 3.566 -1.852 1.00 0.00 C ATOM 0 H PHE A 37 155.889 6.296 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 37 158.224 6.548 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 37 156.936 4.613 -1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 37 157.107 3.792 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.827 5.582 -3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 37 158.387 2.815 -1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 37 162.139 4.988 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 37 160.695 2.219 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 162.577 3.305 -1.595 1.00 0.00 H new ATOM 578 N ASN A 38 155.927 5.513 -5.528 1.00 0.00 N ATOM 579 CA ASN A 38 155.647 5.243 -6.936 1.00 0.00 C ATOM 580 C ASN A 38 155.657 6.522 -7.771 1.00 0.00 C ATOM 581 O ASN A 38 156.584 6.773 -8.542 1.00 0.00 O ATOM 582 CB ASN A 38 154.297 4.539 -7.079 1.00 0.00 C ATOM 583 CG ASN A 38 154.397 3.046 -6.839 1.00 0.00 C ATOM 584 OD1 ASN A 38 155.154 2.592 -5.980 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.631 2.271 -7.599 1.00 0.00 N ATOM 0 H ASN A 38 155.098 5.578 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 38 156.438 4.594 -7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.588 4.971 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.901 4.718 -8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 38 153.656 1.258 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 38 153.018 2.689 -8.299 1.00 0.00 H new ATOM 592 N LEU A 39 154.600 7.310 -7.620 1.00 0.00 N ATOM 593 CA LEU A 39 154.432 8.557 -8.354 1.00 0.00 C ATOM 594 C LEU A 39 155.428 9.630 -7.909 1.00 0.00 C ATOM 595 O LEU A 39 155.807 10.500 -8.693 1.00 0.00 O ATOM 596 CB LEU A 39 153.000 9.040 -8.154 1.00 0.00 C ATOM 597 CG LEU A 39 152.815 10.018 -7.004 1.00 0.00 C ATOM 598 CD1 LEU A 39 152.906 11.428 -7.538 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.498 9.766 -6.291 1.00 0.00 C ATOM 0 H LEU A 39 153.832 7.101 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 39 154.629 8.372 -9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.659 9.514 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.359 8.175 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 39 153.605 9.875 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 39 152.774 12.136 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 39 153.883 11.581 -7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.126 11.586 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 39 151.386 10.476 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 39 150.674 9.890 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.487 8.751 -5.895 1.00 0.00 H new ATOM 611 N GLN A 40 155.830 9.573 -6.647 1.00 0.00 N ATOM 612 CA GLN A 40 156.762 10.548 -6.090 1.00 0.00 C ATOM 613 C GLN A 40 158.214 10.094 -6.236 1.00 0.00 C ATOM 614 O GLN A 40 159.078 10.510 -5.465 1.00 0.00 O ATOM 615 CB GLN A 40 156.437 10.792 -4.614 1.00 0.00 C ATOM 616 CG GLN A 40 156.249 12.259 -4.261 1.00 0.00 C ATOM 617 CD GLN A 40 155.258 12.960 -5.171 1.00 0.00 C ATOM 618 OE1 GLN A 40 155.625 13.469 -6.230 1.00 0.00 O ATOM 619 NE2 GLN A 40 153.992 12.992 -4.765 1.00 0.00 N ATOM 0 H GLN A 40 155.525 8.859 -5.986 1.00 0.00 H new ATOM 0 HA GLN A 40 156.648 11.476 -6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 40 155.529 10.247 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 40 157.240 10.381 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.907 12.339 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 40 157.211 12.768 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 40 153.729 12.558 -3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 40 153.284 13.451 -5.338 1.00 0.00 H new ATOM 628 N PHE A 41 158.482 9.248 -7.225 1.00 0.00 N ATOM 629 CA PHE A 41 159.835 8.754 -7.456 1.00 0.00 C ATOM 630 C PHE A 41 160.482 9.470 -8.637 1.00 0.00 C ATOM 631 O PHE A 41 161.622 9.925 -8.550 1.00 0.00 O ATOM 632 CB PHE A 41 159.818 7.247 -7.706 1.00 0.00 C ATOM 633 CG PHE A 41 161.046 6.542 -7.203 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.541 6.804 -5.936 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.706 5.620 -7.999 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.672 6.159 -5.471 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.837 4.972 -7.540 1.00 0.00 C ATOM 638 CZ PHE A 41 163.321 5.242 -6.275 1.00 0.00 C ATOM 0 H PHE A 41 157.784 8.891 -7.877 1.00 0.00 H new ATOM 0 HA PHE A 41 160.425 8.958 -6.562 1.00 0.00 H new ATOM 0 HB2 PHE A 41 158.939 6.817 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.717 7.065 -8.776 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.037 7.521 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.332 5.405 -8.989 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.047 6.372 -4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.342 4.255 -8.170 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.205 4.737 -5.915 1.00 0.00 H new ATOM 648 N GLU A 42 159.746 9.568 -9.740 1.00 0.00 N ATOM 649 CA GLU A 42 160.249 10.231 -10.938 1.00 0.00 C ATOM 650 C GLU A 42 160.690 11.657 -10.624 1.00 0.00 C ATOM 651 O GLU A 42 161.732 12.113 -11.095 1.00 0.00 O ATOM 652 CB GLU A 42 159.174 10.245 -12.028 1.00 0.00 C ATOM 653 CG GLU A 42 159.618 10.922 -13.314 1.00 0.00 C ATOM 654 CD GLU A 42 158.701 10.614 -14.481 1.00 0.00 C ATOM 655 OE1 GLU A 42 158.804 9.502 -15.040 1.00 0.00 O ATOM 656 OE2 GLU A 42 157.880 11.485 -14.837 1.00 0.00 O ATOM 0 H GLU A 42 158.800 9.197 -9.829 1.00 0.00 H new ATOM 0 HA GLU A 42 161.113 9.673 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 42 158.881 9.219 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 158.289 10.754 -11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 159.653 12.000 -13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 42 160.631 10.602 -13.558 1.00 0.00 H new ATOM 663 N GLU A 43 159.889 12.355 -9.826 1.00 0.00 N ATOM 664 CA GLU A 43 160.196 13.729 -9.448 1.00 0.00 C ATOM 665 C GLU A 43 161.130 13.767 -8.242 1.00 0.00 C ATOM 666 O GLU A 43 162.033 14.600 -8.172 1.00 0.00 O ATOM 667 CB GLU A 43 158.907 14.494 -9.142 1.00 0.00 C ATOM 668 CG GLU A 43 158.734 15.753 -9.977 1.00 0.00 C ATOM 669 CD GLU A 43 159.831 16.770 -9.733 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.014 16.369 -9.691 1.00 0.00 O ATOM 671 OE2 GLU A 43 159.508 17.967 -9.583 1.00 0.00 O ATOM 0 H GLU A 43 159.023 11.992 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 43 160.702 14.208 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 43 158.055 13.836 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 43 158.896 14.764 -8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 158.721 15.485 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 43 157.768 16.205 -9.751 1.00 0.00 H new ATOM 678 N ARG A 44 160.906 12.862 -7.293 1.00 0.00 N ATOM 679 CA ARG A 44 161.730 12.799 -6.093 1.00 0.00 C ATOM 680 C ARG A 44 162.208 11.374 -5.839 1.00 0.00 C ATOM 681 O ARG A 44 161.633 10.652 -5.028 1.00 0.00 O ATOM 682 CB ARG A 44 160.950 13.316 -4.886 1.00 0.00 C ATOM 683 CG ARG A 44 160.217 14.623 -5.146 1.00 0.00 C ATOM 684 CD ARG A 44 161.065 15.825 -4.757 1.00 0.00 C ATOM 685 NE ARG A 44 161.058 16.858 -5.791 1.00 0.00 N ATOM 686 CZ ARG A 44 160.075 17.742 -5.952 1.00 0.00 C ATOM 687 NH1 ARG A 44 159.016 17.720 -5.151 1.00 0.00 N ATOM 688 NH2 ARG A 44 160.151 18.649 -6.916 1.00 0.00 N ATOM 0 H ARG A 44 160.163 12.165 -7.333 1.00 0.00 H new ATOM 0 HA ARG A 44 162.604 13.433 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.228 12.559 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.638 13.455 -4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 159.952 14.689 -6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 44 159.284 14.637 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.692 16.245 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 44 162.090 15.502 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 44 161.854 16.905 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 44 158.953 17.024 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 44 158.266 18.399 -5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 44 160.962 18.670 -7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 44 159.398 19.326 -7.040 1.00 0.00 H new ATOM 702 N GLY A 45 163.261 10.973 -6.544 1.00 0.00 N ATOM 703 CA GLY A 45 163.792 9.633 -6.381 1.00 0.00 C ATOM 704 C GLY A 45 165.303 9.613 -6.260 1.00 0.00 C ATOM 705 O GLY A 45 166.014 9.823 -7.243 1.00 0.00 O ATOM 0 H GLY A 45 163.755 11.551 -7.224 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.354 9.179 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.492 9.022 -7.232 1.00 0.00 H new ATOM 709 N GLY A 46 165.796 9.353 -5.053 1.00 0.00 N ATOM 710 CA GLY A 46 167.228 9.305 -4.832 1.00 0.00 C ATOM 711 C GLY A 46 167.615 8.239 -3.827 1.00 0.00 C ATOM 712 O GLY A 46 166.869 7.966 -2.886 1.00 0.00 O ATOM 0 H GLY A 46 165.228 9.175 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.734 9.111 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.573 10.277 -4.479 1.00 0.00 H new ATOM 716 N VAL A 47 168.782 7.635 -4.021 1.00 0.00 N ATOM 717 CA VAL A 47 169.262 6.596 -3.120 1.00 0.00 C ATOM 718 C VAL A 47 170.715 6.847 -2.735 1.00 0.00 C ATOM 719 O VAL A 47 171.616 6.733 -3.566 1.00 0.00 O ATOM 720 CB VAL A 47 169.138 5.198 -3.759 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.552 4.116 -2.772 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.718 4.963 -4.253 1.00 0.00 C ATOM 0 H VAL A 47 169.412 7.847 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 47 168.639 6.629 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 47 169.811 5.150 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.457 3.138 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.588 4.275 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.908 4.159 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.648 3.972 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 47 167.025 5.032 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.462 5.717 -4.998 1.00 0.00 H new ATOM 732 N GLU A 48 170.936 7.197 -1.472 1.00 0.00 N ATOM 733 CA GLU A 48 172.282 7.474 -0.982 1.00 0.00 C ATOM 734 C GLU A 48 172.903 6.235 -0.347 1.00 0.00 C ATOM 735 O GLU A 48 172.200 5.382 0.196 1.00 0.00 O ATOM 736 CB GLU A 48 172.253 8.621 0.030 1.00 0.00 C ATOM 737 CG GLU A 48 171.171 8.474 1.086 1.00 0.00 C ATOM 738 CD GLU A 48 171.561 9.099 2.411 1.00 0.00 C ATOM 739 OE1 GLU A 48 172.734 8.952 2.814 1.00 0.00 O ATOM 740 OE2 GLU A 48 170.694 9.736 3.045 1.00 0.00 O ATOM 0 H GLU A 48 170.202 7.295 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 48 172.896 7.765 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.223 8.684 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.104 9.560 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.252 8.937 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 48 170.957 7.416 1.237 1.00 0.00 H new ATOM 747 N PHE A 49 174.227 6.144 -0.419 1.00 0.00 N ATOM 748 CA PHE A 49 174.950 5.013 0.148 1.00 0.00 C ATOM 749 C PHE A 49 175.613 5.396 1.467 1.00 0.00 C ATOM 750 O PHE A 49 176.615 6.111 1.485 1.00 0.00 O ATOM 751 CB PHE A 49 176.004 4.507 -0.838 1.00 0.00 C ATOM 752 CG PHE A 49 176.703 3.260 -0.379 1.00 0.00 C ATOM 753 CD1 PHE A 49 176.167 2.011 -0.648 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.896 3.336 0.323 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.808 0.861 -0.227 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.541 2.190 0.747 1.00 0.00 C ATOM 757 CZ PHE A 49 177.996 0.951 0.472 1.00 0.00 C ATOM 0 H PHE A 49 174.822 6.842 -0.866 1.00 0.00 H new ATOM 0 HA PHE A 49 174.232 4.216 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.528 4.314 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.744 5.290 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 49 175.238 1.935 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.326 4.302 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.381 -0.107 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.470 2.263 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.498 0.054 0.803 1.00 0.00 H new ATOM 767 N VAL A 50 175.047 4.913 2.567 1.00 0.00 N ATOM 768 CA VAL A 50 175.583 5.201 3.893 1.00 0.00 C ATOM 769 C VAL A 50 176.297 3.982 4.469 1.00 0.00 C ATOM 770 O VAL A 50 176.387 2.941 3.818 1.00 0.00 O ATOM 771 CB VAL A 50 174.476 5.647 4.872 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.240 7.145 4.766 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.186 4.881 4.617 1.00 0.00 C ATOM 0 H VAL A 50 174.217 4.320 2.567 1.00 0.00 H new ATOM 0 HA VAL A 50 176.295 6.018 3.774 1.00 0.00 H new ATOM 0 HB VAL A 50 174.808 5.422 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.456 7.440 5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.160 7.676 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.934 7.394 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.421 5.213 5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.848 5.067 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.364 3.814 4.752 1.00 0.00 H new ATOM 783 N GLU A 51 176.803 4.116 5.691 1.00 0.00 N ATOM 784 CA GLU A 51 177.508 3.022 6.349 1.00 0.00 C ATOM 785 C GLU A 51 176.690 2.469 7.512 1.00 0.00 C ATOM 786 O GLU A 51 175.655 3.026 7.876 1.00 0.00 O ATOM 787 CB GLU A 51 178.874 3.494 6.850 1.00 0.00 C ATOM 788 CG GLU A 51 179.904 3.660 5.744 1.00 0.00 C ATOM 789 CD GLU A 51 181.255 3.079 6.114 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.316 1.870 6.422 1.00 0.00 O ATOM 791 OE2 GLU A 51 182.251 3.832 6.095 1.00 0.00 O ATOM 0 H GLU A 51 176.738 4.970 6.245 1.00 0.00 H new ATOM 0 HA GLU A 51 177.653 2.226 5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.753 4.445 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.250 2.779 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.540 3.176 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 51 180.019 4.720 5.515 1.00 0.00 H new ATOM 798 N THR A 52 177.163 1.369 8.090 1.00 0.00 N ATOM 799 CA THR A 52 176.475 0.741 9.213 1.00 0.00 C ATOM 800 C THR A 52 176.482 1.653 10.435 1.00 0.00 C ATOM 801 O THR A 52 177.240 2.621 10.495 1.00 0.00 O ATOM 802 CB THR A 52 177.131 -0.597 9.557 1.00 0.00 C ATOM 803 OG1 THR A 52 177.379 -1.351 8.384 1.00 0.00 O ATOM 804 CG2 THR A 52 176.295 -1.453 10.485 1.00 0.00 C ATOM 0 H THR A 52 178.018 0.895 7.800 1.00 0.00 H new ATOM 0 HA THR A 52 175.440 0.565 8.920 1.00 0.00 H new ATOM 0 HB THR A 52 178.061 -0.340 10.065 1.00 0.00 H new ATOM 0 HG1 THR A 52 178.063 -2.028 8.569 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.818 -2.387 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.128 -0.919 11.421 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.336 -1.669 10.015 1.00 0.00 H new ATOM 812 N ALA A 53 175.631 1.339 11.406 1.00 0.00 N ATOM 813 CA ALA A 53 175.539 2.131 12.626 1.00 0.00 C ATOM 814 C ALA A 53 175.660 1.250 13.865 1.00 0.00 C ATOM 815 O ALA A 53 175.494 0.032 13.791 1.00 0.00 O ATOM 816 CB ALA A 53 174.229 2.905 12.653 1.00 0.00 C ATOM 0 H ALA A 53 174.996 0.542 11.371 1.00 0.00 H new ATOM 0 HA ALA A 53 176.368 2.838 12.634 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.172 3.493 13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.182 3.571 11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.393 2.207 12.618 1.00 0.00 H new ATOM 822 N ASP A 54 175.951 1.873 15.002 1.00 0.00 N ATOM 823 CA ASP A 54 176.094 1.145 16.258 1.00 0.00 C ATOM 824 C ASP A 54 174.813 1.227 17.082 1.00 0.00 C ATOM 825 O ASP A 54 174.856 1.316 18.309 1.00 0.00 O ATOM 826 CB ASP A 54 177.269 1.703 17.063 1.00 0.00 C ATOM 827 CG ASP A 54 177.122 3.183 17.353 1.00 0.00 C ATOM 828 OD1 ASP A 54 177.591 3.999 16.532 1.00 0.00 O ATOM 829 OD2 ASP A 54 176.536 3.528 18.401 1.00 0.00 O ATOM 0 H ASP A 54 176.092 2.880 15.080 1.00 0.00 H new ATOM 0 HA ASP A 54 176.288 0.098 16.024 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.352 1.158 18.003 1.00 0.00 H new ATOM 0 HB3 ASP A 54 178.195 1.534 16.513 1.00 0.00 H new ATOM 834 N ASP A 55 173.675 1.194 16.397 1.00 0.00 N ATOM 835 CA ASP A 55 172.378 1.263 17.061 1.00 0.00 C ATOM 836 C ASP A 55 171.291 0.658 16.179 1.00 0.00 C ATOM 837 O ASP A 55 170.143 1.104 16.194 1.00 0.00 O ATOM 838 CB ASP A 55 172.034 2.716 17.400 1.00 0.00 C ATOM 839 CG ASP A 55 172.259 3.037 18.865 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.433 3.106 19.284 1.00 0.00 O ATOM 841 OD2 ASP A 55 171.260 3.221 19.592 1.00 0.00 O ATOM 0 H ASP A 55 173.624 1.120 15.381 1.00 0.00 H new ATOM 0 HA ASP A 55 172.433 0.688 17.986 1.00 0.00 H new ATOM 0 HB2 ASP A 55 172.641 3.383 16.787 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.992 2.909 17.144 1.00 0.00 H new ATOM 846 N TRP A 56 171.663 -0.358 15.409 1.00 0.00 N ATOM 847 CA TRP A 56 170.724 -1.025 14.514 1.00 0.00 C ATOM 848 C TRP A 56 169.856 -2.031 15.268 1.00 0.00 C ATOM 849 O TRP A 56 168.784 -2.409 14.796 1.00 0.00 O ATOM 850 CB TRP A 56 171.479 -1.726 13.384 1.00 0.00 C ATOM 851 CG TRP A 56 171.349 -1.027 12.066 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.363 -0.548 11.289 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.133 -0.726 11.372 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.853 0.033 10.154 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.486 -0.064 10.181 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.781 -0.952 11.641 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.534 0.372 9.261 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.838 -0.518 10.727 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.218 0.137 9.550 1.00 0.00 C ATOM 0 H TRP A 56 172.609 -0.738 15.386 1.00 0.00 H new ATOM 0 HA TRP A 56 170.068 -0.265 14.090 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.534 -1.795 13.649 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.107 -2.746 13.285 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.413 -0.616 11.531 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.402 0.466 9.412 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.478 -1.457 12.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 169.825 0.877 8.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.790 -0.688 10.925 1.00 0.00 H new ATOM 0 HH2 TRP A 56 167.457 0.463 8.856 1.00 0.00 H new ATOM 870 N GLU A 57 170.322 -2.462 16.436 1.00 0.00 N ATOM 871 CA GLU A 57 169.580 -3.425 17.245 1.00 0.00 C ATOM 872 C GLU A 57 168.332 -2.785 17.851 1.00 0.00 C ATOM 873 O GLU A 57 168.190 -2.712 19.072 1.00 0.00 O ATOM 874 CB GLU A 57 170.472 -3.984 18.355 1.00 0.00 C ATOM 875 CG GLU A 57 171.806 -4.516 17.855 1.00 0.00 C ATOM 876 CD GLU A 57 172.942 -4.237 18.819 1.00 0.00 C ATOM 877 OE1 GLU A 57 172.821 -4.612 20.005 1.00 0.00 O ATOM 878 OE2 GLU A 57 173.954 -3.645 18.389 1.00 0.00 O ATOM 0 H GLU A 57 171.207 -2.161 16.843 1.00 0.00 H new ATOM 0 HA GLU A 57 169.266 -4.241 16.594 1.00 0.00 H new ATOM 0 HB2 GLU A 57 170.655 -3.201 19.091 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.940 -4.785 18.868 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.727 -5.591 17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 57 172.034 -4.065 16.889 1.00 0.00 H new ATOM 885 N GLU A 58 167.431 -2.319 16.991 1.00 0.00 N ATOM 886 CA GLU A 58 166.201 -1.683 17.441 1.00 0.00 C ATOM 887 C GLU A 58 165.149 -1.687 16.335 1.00 0.00 C ATOM 888 O GLU A 58 163.991 -2.033 16.569 1.00 0.00 O ATOM 889 CB GLU A 58 166.492 -0.250 17.882 1.00 0.00 C ATOM 890 CG GLU A 58 166.474 -0.061 19.391 1.00 0.00 C ATOM 891 CD GLU A 58 167.726 0.618 19.910 1.00 0.00 C ATOM 892 OE1 GLU A 58 168.034 1.734 19.442 1.00 0.00 O ATOM 893 OE2 GLU A 58 168.399 0.033 20.785 1.00 0.00 O ATOM 0 H GLU A 58 167.532 -2.371 15.977 1.00 0.00 H new ATOM 0 HA GLU A 58 165.808 -2.249 18.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.468 0.048 17.499 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.756 0.416 17.432 1.00 0.00 H new ATOM 0 HG2 GLU A 58 165.602 0.532 19.669 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.366 -1.032 19.874 1.00 0.00 H new ATOM 900 N GLU A 59 165.559 -1.293 15.133 1.00 0.00 N ATOM 901 CA GLU A 59 164.643 -1.246 13.993 1.00 0.00 C ATOM 902 C GLU A 59 164.538 -2.611 13.318 1.00 0.00 C ATOM 903 O GLU A 59 163.470 -3.224 13.309 1.00 0.00 O ATOM 904 CB GLU A 59 165.065 -0.182 12.962 1.00 0.00 C ATOM 905 CG GLU A 59 166.389 0.509 13.259 1.00 0.00 C ATOM 906 CD GLU A 59 166.330 1.378 14.501 1.00 0.00 C ATOM 907 OE1 GLU A 59 165.629 2.411 14.469 1.00 0.00 O ATOM 908 OE2 GLU A 59 166.985 1.026 15.504 1.00 0.00 O ATOM 0 H GLU A 59 166.514 -1.003 14.921 1.00 0.00 H new ATOM 0 HA GLU A 59 163.664 -0.968 14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 59 165.130 -0.653 11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.283 0.575 12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 59 167.167 -0.244 13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 59 166.674 1.123 12.404 1.00 0.00 H new ATOM 915 N ILE A 60 165.646 -3.087 12.756 1.00 0.00 N ATOM 916 CA ILE A 60 165.657 -4.383 12.086 1.00 0.00 C ATOM 917 C ILE A 60 165.643 -5.523 13.101 1.00 0.00 C ATOM 918 O ILE A 60 165.154 -6.616 12.815 1.00 0.00 O ATOM 919 CB ILE A 60 166.884 -4.540 11.162 1.00 0.00 C ATOM 920 CG1 ILE A 60 168.180 -4.424 11.965 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.852 -3.503 10.047 1.00 0.00 C ATOM 922 CD1 ILE A 60 169.361 -5.094 11.297 1.00 0.00 C ATOM 0 H ILE A 60 166.541 -2.598 12.751 1.00 0.00 H new ATOM 0 HA ILE A 60 164.755 -4.429 11.476 1.00 0.00 H new ATOM 0 HB ILE A 60 166.847 -5.531 10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 60 168.410 -3.370 12.121 1.00 0.00 H new ATOM 0 HG13 ILE A 60 168.030 -4.866 12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.725 -3.630 9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.946 -3.633 9.455 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.862 -2.503 10.480 1.00 0.00 H new ATOM 0 HD11 ILE A 60 170.248 -4.974 11.920 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.151 -6.155 11.166 1.00 0.00 H new ATOM 0 HD13 ILE A 60 169.537 -4.636 10.324 1.00 0.00 H new ATOM 934 N GLY A 61 166.178 -5.258 14.290 1.00 0.00 N ATOM 935 CA GLY A 61 166.213 -6.268 15.332 1.00 0.00 C ATOM 936 C GLY A 61 167.194 -7.386 15.034 1.00 0.00 C ATOM 937 O GLY A 61 166.794 -8.466 14.602 1.00 0.00 O ATOM 0 H GLY A 61 166.588 -4.361 14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 61 166.481 -5.798 16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.216 -6.690 15.457 1.00 0.00 H new ATOM 941 N VAL A 62 168.478 -7.124 15.276 1.00 0.00 N ATOM 942 CA VAL A 62 169.536 -8.109 15.044 1.00 0.00 C ATOM 943 C VAL A 62 170.904 -7.433 15.037 1.00 0.00 C ATOM 944 O VAL A 62 171.060 -6.338 14.499 1.00 0.00 O ATOM 945 CB VAL A 62 169.348 -8.865 13.710 1.00 0.00 C ATOM 946 CG1 VAL A 62 169.259 -7.891 12.549 1.00 0.00 C ATOM 947 CG2 VAL A 62 170.478 -9.863 13.492 1.00 0.00 C ATOM 0 H VAL A 62 168.813 -6.230 15.636 1.00 0.00 H new ATOM 0 HA VAL A 62 169.476 -8.829 15.860 1.00 0.00 H new ATOM 0 HB VAL A 62 168.411 -9.419 13.762 1.00 0.00 H new ATOM 0 HG11 VAL A 62 169.127 -8.444 11.619 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.410 -7.224 12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 62 170.176 -7.305 12.495 1.00 0.00 H new ATOM 0 HG21 VAL A 62 170.326 -10.384 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 62 171.431 -9.334 13.465 1.00 0.00 H new ATOM 0 HG23 VAL A 62 170.487 -10.586 14.308 1.00 0.00 H new ATOM 957 N LEU A 63 171.890 -8.090 15.638 1.00 0.00 N ATOM 958 CA LEU A 63 173.244 -7.546 15.696 1.00 0.00 C ATOM 959 C LEU A 63 173.796 -7.307 14.292 1.00 0.00 C ATOM 960 O LEU A 63 173.611 -8.127 13.394 1.00 0.00 O ATOM 961 CB LEU A 63 174.170 -8.485 16.483 1.00 0.00 C ATOM 962 CG LEU A 63 174.567 -9.792 15.781 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.350 -10.487 15.186 1.00 0.00 C ATOM 964 CD2 LEU A 63 175.618 -9.533 14.710 1.00 0.00 C ATOM 0 H LEU A 63 171.779 -8.997 16.091 1.00 0.00 H new ATOM 0 HA LEU A 63 173.201 -6.587 16.213 1.00 0.00 H new ATOM 0 HB2 LEU A 63 175.080 -7.939 16.731 1.00 0.00 H new ATOM 0 HB3 LEU A 63 173.682 -8.737 17.425 1.00 0.00 H new ATOM 0 HG LEU A 63 174.999 -10.456 16.530 1.00 0.00 H new ATOM 0 HD11 LEU A 63 173.661 -11.409 14.695 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.640 -10.720 15.979 1.00 0.00 H new ATOM 0 HD13 LEU A 63 172.876 -9.830 14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 63 175.884 -10.473 14.226 1.00 0.00 H new ATOM 0 HD22 LEU A 63 175.218 -8.843 13.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 176.506 -9.097 15.169 1.00 0.00 H new ATOM 976 N ILE A 64 174.470 -6.176 14.106 1.00 0.00 N ATOM 977 CA ILE A 64 175.038 -5.837 12.807 1.00 0.00 C ATOM 978 C ILE A 64 176.476 -5.347 12.930 1.00 0.00 C ATOM 979 O ILE A 64 176.719 -4.186 13.258 1.00 0.00 O ATOM 980 CB ILE A 64 174.207 -4.753 12.093 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.727 -5.131 12.091 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.709 -4.550 10.671 1.00 0.00 C ATOM 983 CD1 ILE A 64 172.423 -6.382 11.297 1.00 0.00 C ATOM 0 H ILE A 64 174.635 -5.482 14.835 1.00 0.00 H new ATOM 0 HA ILE A 64 175.021 -6.754 12.218 1.00 0.00 H new ATOM 0 HB ILE A 64 174.322 -3.815 12.636 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.396 -5.274 13.120 1.00 0.00 H new ATOM 0 HG13 ILE A 64 172.149 -4.302 11.682 1.00 0.00 H new ATOM 0 HG21 ILE A 64 174.112 -3.781 10.181 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.753 -4.238 10.695 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.622 -5.485 10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 64 171.354 -6.589 11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.723 -6.236 10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.973 -7.223 11.719 1.00 0.00 H new ATOM 995 N ASP A 65 177.426 -6.231 12.645 1.00 0.00 N ATOM 996 CA ASP A 65 178.839 -5.877 12.704 1.00 0.00 C ATOM 997 C ASP A 65 179.131 -4.717 11.753 1.00 0.00 C ATOM 998 O ASP A 65 179.119 -4.891 10.535 1.00 0.00 O ATOM 999 CB ASP A 65 179.705 -7.084 12.336 1.00 0.00 C ATOM 1000 CG ASP A 65 180.166 -7.857 13.556 1.00 0.00 C ATOM 1001 OD1 ASP A 65 179.315 -8.490 14.215 1.00 0.00 O ATOM 1002 OD2 ASP A 65 181.379 -7.829 13.852 1.00 0.00 O ATOM 0 H ASP A 65 177.243 -7.196 12.371 1.00 0.00 H new ATOM 0 HA ASP A 65 179.078 -5.570 13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 65 179.140 -7.747 11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.575 -6.746 11.773 1.00 0.00 H new ATOM 1007 N PRO A 66 179.388 -3.511 12.287 1.00 0.00 N ATOM 1008 CA PRO A 66 179.669 -2.336 11.459 1.00 0.00 C ATOM 1009 C PRO A 66 180.883 -2.537 10.560 1.00 0.00 C ATOM 1010 O PRO A 66 181.733 -3.387 10.825 1.00 0.00 O ATOM 1011 CB PRO A 66 179.932 -1.218 12.477 1.00 0.00 C ATOM 1012 CG PRO A 66 180.209 -1.916 13.766 1.00 0.00 C ATOM 1013 CD PRO A 66 179.421 -3.192 13.724 1.00 0.00 C ATOM 0 HA PRO A 66 178.844 -2.117 10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.778 -0.601 12.174 1.00 0.00 H new ATOM 0 HB3 PRO A 66 179.071 -0.556 12.565 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.274 -2.119 13.879 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.910 -1.301 14.615 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.900 -3.982 14.302 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.419 -3.061 14.132 1.00 0.00 H new ATOM 1021 N GLU A 67 180.956 -1.743 9.495 1.00 0.00 N ATOM 1022 CA GLU A 67 182.064 -1.811 8.543 1.00 0.00 C ATOM 1023 C GLU A 67 181.955 -3.018 7.607 1.00 0.00 C ATOM 1024 O GLU A 67 182.698 -3.110 6.630 1.00 0.00 O ATOM 1025 CB GLU A 67 183.409 -1.837 9.279 1.00 0.00 C ATOM 1026 CG GLU A 67 184.290 -0.642 8.961 1.00 0.00 C ATOM 1027 CD GLU A 67 185.159 -0.230 10.134 1.00 0.00 C ATOM 1028 OE1 GLU A 67 184.654 0.485 11.024 1.00 0.00 O ATOM 1029 OE2 GLU A 67 186.344 -0.622 10.161 1.00 0.00 O ATOM 0 H GLU A 67 180.254 -1.038 9.267 1.00 0.00 H new ATOM 0 HA GLU A 67 182.007 -0.913 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.227 -1.870 10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.941 -2.752 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 67 184.926 -0.881 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.663 0.199 8.665 1.00 0.00 H new ATOM 1036 N GLU A 68 181.039 -3.944 7.893 1.00 0.00 N ATOM 1037 CA GLU A 68 180.877 -5.122 7.046 1.00 0.00 C ATOM 1038 C GLU A 68 179.478 -5.187 6.428 1.00 0.00 C ATOM 1039 O GLU A 68 179.064 -6.230 5.923 1.00 0.00 O ATOM 1040 CB GLU A 68 181.190 -6.399 7.838 1.00 0.00 C ATOM 1041 CG GLU A 68 180.050 -6.905 8.707 1.00 0.00 C ATOM 1042 CD GLU A 68 179.971 -8.419 8.739 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.763 -9.039 9.480 1.00 0.00 O ATOM 1044 OE2 GLU A 68 179.118 -8.984 8.024 1.00 0.00 O ATOM 0 H GLU A 68 180.407 -3.902 8.693 1.00 0.00 H new ATOM 0 HA GLU A 68 181.588 -5.042 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 68 181.470 -7.185 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 68 182.057 -6.213 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 68 180.177 -6.530 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 68 179.108 -6.503 8.335 1.00 0.00 H new ATOM 1051 N TYR A 69 178.761 -4.064 6.454 1.00 0.00 N ATOM 1052 CA TYR A 69 177.421 -4.004 5.875 1.00 0.00 C ATOM 1053 C TYR A 69 177.216 -2.698 5.119 1.00 0.00 C ATOM 1054 O TYR A 69 177.521 -1.618 5.627 1.00 0.00 O ATOM 1055 CB TYR A 69 176.344 -4.154 6.955 1.00 0.00 C ATOM 1056 CG TYR A 69 176.324 -5.515 7.614 1.00 0.00 C ATOM 1057 CD1 TYR A 69 175.801 -6.626 6.959 1.00 0.00 C ATOM 1058 CD2 TYR A 69 176.840 -5.690 8.890 1.00 0.00 C ATOM 1059 CE1 TYR A 69 175.793 -7.869 7.560 1.00 0.00 C ATOM 1060 CE2 TYR A 69 176.838 -6.932 9.495 1.00 0.00 C ATOM 1061 CZ TYR A 69 176.314 -8.017 8.827 1.00 0.00 C ATOM 1062 OH TYR A 69 176.310 -9.255 9.428 1.00 0.00 O ATOM 0 H TYR A 69 179.084 -3.189 6.867 1.00 0.00 H new ATOM 0 HA TYR A 69 177.329 -4.835 5.176 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.501 -3.393 7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.368 -3.962 6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 69 175.395 -6.514 5.965 1.00 0.00 H new ATOM 0 HD2 TYR A 69 177.250 -4.842 9.419 1.00 0.00 H new ATOM 0 HE1 TYR A 69 175.381 -8.721 7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 69 177.246 -7.052 10.488 1.00 0.00 H new ATOM 0 HH TYR A 69 176.714 -9.188 10.318 1.00 0.00 H new ATOM 1072 N ALA A 70 176.693 -2.804 3.902 1.00 0.00 N ATOM 1073 CA ALA A 70 176.441 -1.632 3.075 1.00 0.00 C ATOM 1074 C ALA A 70 175.034 -1.101 3.308 1.00 0.00 C ATOM 1075 O ALA A 70 174.047 -1.756 2.969 1.00 0.00 O ATOM 1076 CB ALA A 70 176.646 -1.965 1.605 1.00 0.00 C ATOM 0 H ALA A 70 176.436 -3.690 3.467 1.00 0.00 H new ATOM 0 HA ALA A 70 177.151 -0.855 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.454 -1.078 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.672 -2.296 1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.959 -2.759 1.313 1.00 0.00 H new ATOM 1082 N GLU A 71 174.946 0.085 3.898 1.00 0.00 N ATOM 1083 CA GLU A 71 173.658 0.700 4.185 1.00 0.00 C ATOM 1084 C GLU A 71 173.190 1.569 3.024 1.00 0.00 C ATOM 1085 O GLU A 71 173.922 2.438 2.550 1.00 0.00 O ATOM 1086 CB GLU A 71 173.746 1.542 5.459 1.00 0.00 C ATOM 1087 CG GLU A 71 172.421 2.160 5.873 1.00 0.00 C ATOM 1088 CD GLU A 71 171.528 1.179 6.602 1.00 0.00 C ATOM 1089 OE1 GLU A 71 171.912 0.737 7.704 1.00 0.00 O ATOM 1090 OE2 GLU A 71 170.445 0.854 6.072 1.00 0.00 O ATOM 0 H GLU A 71 175.752 0.639 4.187 1.00 0.00 H new ATOM 0 HA GLU A 71 172.931 -0.099 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.116 0.918 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.477 2.337 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.610 3.021 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.903 2.529 4.988 1.00 0.00 H new ATOM 1097 N VAL A 72 171.961 1.335 2.580 1.00 0.00 N ATOM 1098 CA VAL A 72 171.384 2.101 1.485 1.00 0.00 C ATOM 1099 C VAL A 72 170.026 2.662 1.890 1.00 0.00 C ATOM 1100 O VAL A 72 169.211 1.966 2.494 1.00 0.00 O ATOM 1101 CB VAL A 72 171.249 1.241 0.204 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.016 1.625 -0.606 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.503 1.372 -0.645 1.00 0.00 C ATOM 0 H VAL A 72 171.344 0.619 2.963 1.00 0.00 H new ATOM 0 HA VAL A 72 172.058 2.928 1.264 1.00 0.00 H new ATOM 0 HB VAL A 72 171.129 0.202 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.956 0.999 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.122 1.479 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.087 2.672 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.399 0.764 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.644 2.415 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.366 1.031 -0.074 1.00 0.00 H new ATOM 1113 N TRP A 73 169.793 3.924 1.558 1.00 0.00 N ATOM 1114 CA TRP A 73 168.535 4.582 1.892 1.00 0.00 C ATOM 1115 C TRP A 73 167.811 5.035 0.629 1.00 0.00 C ATOM 1116 O TRP A 73 168.438 5.532 -0.308 1.00 0.00 O ATOM 1117 CB TRP A 73 168.796 5.789 2.797 1.00 0.00 C ATOM 1118 CG TRP A 73 168.905 5.438 4.249 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.241 4.225 4.777 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.679 6.310 5.362 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.231 4.287 6.148 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.890 5.557 6.532 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.318 7.654 5.483 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.751 6.103 7.804 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.180 8.196 6.747 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.397 7.421 7.893 1.00 0.00 C ATOM 0 H TRP A 73 170.458 4.514 1.058 1.00 0.00 H new ATOM 0 HA TRP A 73 167.905 3.866 2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.717 6.278 2.480 1.00 0.00 H new ATOM 0 HB3 TRP A 73 167.990 6.512 2.666 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.480 3.344 4.200 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.443 3.514 6.778 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.150 8.259 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.917 5.507 8.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 167.900 9.234 6.853 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.282 7.873 8.867 1.00 0.00 H new ATOM 1137 N VAL A 74 166.490 4.873 0.610 1.00 0.00 N ATOM 1138 CA VAL A 74 165.692 5.281 -0.540 1.00 0.00 C ATOM 1139 C VAL A 74 164.515 6.150 -0.112 1.00 0.00 C ATOM 1140 O VAL A 74 163.575 5.676 0.529 1.00 0.00 O ATOM 1141 CB VAL A 74 165.158 4.078 -1.335 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.575 4.553 -2.657 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.256 3.047 -1.563 1.00 0.00 C ATOM 0 H VAL A 74 165.953 4.464 1.375 1.00 0.00 H new ATOM 0 HA VAL A 74 166.359 5.855 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 74 164.369 3.597 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.198 3.697 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.759 5.249 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.350 5.053 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.854 2.206 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.072 3.503 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.629 2.694 -0.602 1.00 0.00 H new ATOM 1153 N GLY A 75 164.584 7.427 -0.467 1.00 0.00 N ATOM 1154 CA GLY A 75 163.529 8.360 -0.112 1.00 0.00 C ATOM 1155 C GLY A 75 163.314 9.430 -1.164 1.00 0.00 C ATOM 1156 O GLY A 75 163.635 9.229 -2.336 1.00 0.00 O ATOM 0 H GLY A 75 165.354 7.835 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.599 7.811 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.774 8.835 0.838 1.00 0.00 H new ATOM 1160 N LEU A 76 162.774 10.574 -0.745 1.00 0.00 N ATOM 1161 CA LEU A 76 162.521 11.682 -1.670 1.00 0.00 C ATOM 1162 C LEU A 76 163.340 12.915 -1.298 1.00 0.00 C ATOM 1163 O LEU A 76 162.801 14.016 -1.179 1.00 0.00 O ATOM 1164 CB LEU A 76 161.027 12.048 -1.716 1.00 0.00 C ATOM 1165 CG LEU A 76 160.035 10.886 -1.883 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.608 9.759 -2.736 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.597 10.360 -0.523 1.00 0.00 C ATOM 0 H LEU A 76 162.504 10.759 0.221 1.00 0.00 H new ATOM 0 HA LEU A 76 162.827 11.343 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.778 12.578 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.873 12.747 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 76 159.164 11.276 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.872 8.960 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 76 160.852 10.141 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 76 161.510 9.369 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.895 9.538 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 76 160.468 10.005 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.114 11.160 0.038 1.00 0.00 H new ATOM 1179 N VAL A 77 164.644 12.720 -1.106 1.00 0.00 N ATOM 1180 CA VAL A 77 165.547 13.812 -0.740 1.00 0.00 C ATOM 1181 C VAL A 77 165.270 15.076 -1.551 1.00 0.00 C ATOM 1182 O VAL A 77 164.486 15.066 -2.499 1.00 0.00 O ATOM 1183 CB VAL A 77 167.021 13.419 -0.941 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.423 12.325 0.032 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.264 12.987 -2.378 1.00 0.00 C ATOM 0 H VAL A 77 165.101 11.813 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 77 165.362 14.013 0.315 1.00 0.00 H new ATOM 0 HB VAL A 77 167.642 14.292 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.469 12.062 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.290 12.680 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.799 11.446 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.311 12.712 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.633 12.129 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 77 167.022 13.809 -3.051 1.00 0.00 H new ATOM 1195 N ASN A 78 165.927 16.165 -1.169 1.00 0.00 N ATOM 1196 CA ASN A 78 165.757 17.442 -1.853 1.00 0.00 C ATOM 1197 C ASN A 78 167.086 17.945 -2.411 1.00 0.00 C ATOM 1198 O ASN A 78 168.061 17.198 -2.488 1.00 0.00 O ATOM 1199 CB ASN A 78 165.163 18.479 -0.897 1.00 0.00 C ATOM 1200 CG ASN A 78 163.985 17.935 -0.112 1.00 0.00 C ATOM 1201 OD1 ASN A 78 162.933 17.636 -0.677 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.155 17.802 1.199 1.00 0.00 N ATOM 0 H ASN A 78 166.583 16.189 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 78 165.071 17.291 -2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.935 18.814 -0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.845 19.353 -1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 78 163.397 17.440 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 78 165.044 18.062 1.627 1.00 0.00 H new ATOM 1209 N GLU A 79 167.116 19.218 -2.796 1.00 0.00 N ATOM 1210 CA GLU A 79 168.325 19.823 -3.344 1.00 0.00 C ATOM 1211 C GLU A 79 169.452 19.808 -2.318 1.00 0.00 C ATOM 1212 O GLU A 79 170.630 19.770 -2.674 1.00 0.00 O ATOM 1213 CB GLU A 79 168.043 21.260 -3.789 1.00 0.00 C ATOM 1214 CG GLU A 79 166.832 21.388 -4.700 1.00 0.00 C ATOM 1215 CD GLU A 79 166.046 22.660 -4.448 1.00 0.00 C ATOM 1216 OE1 GLU A 79 165.535 22.829 -3.321 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.941 23.487 -5.379 1.00 0.00 O ATOM 0 H GLU A 79 166.317 19.850 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 79 168.637 19.237 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.891 21.882 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 79 168.919 21.650 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.160 21.367 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.180 20.527 -4.554 1.00 0.00 H new ATOM 1224 N GLN A 80 169.081 19.837 -1.042 1.00 0.00 N ATOM 1225 CA GLN A 80 170.060 19.826 0.040 1.00 0.00 C ATOM 1226 C GLN A 80 170.646 18.429 0.227 1.00 0.00 C ATOM 1227 O GLN A 80 171.803 18.279 0.621 1.00 0.00 O ATOM 1228 CB GLN A 80 169.428 20.315 1.348 1.00 0.00 C ATOM 1229 CG GLN A 80 168.041 19.749 1.617 1.00 0.00 C ATOM 1230 CD GLN A 80 167.460 20.230 2.932 1.00 0.00 C ATOM 1231 OE1 GLN A 80 167.089 19.431 3.790 1.00 0.00 O ATOM 1232 NE2 GLN A 80 167.376 21.546 3.094 1.00 0.00 N ATOM 0 H GLN A 80 168.110 19.868 -0.732 1.00 0.00 H new ATOM 0 HA GLN A 80 170.868 20.506 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.084 20.050 2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 80 169.367 21.403 1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 80 167.373 20.032 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.092 18.660 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 80 167.696 22.172 2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 80 166.991 21.930 3.957 1.00 0.00 H new ATOM 1241 N ASP A 81 169.841 17.408 -0.063 1.00 0.00 N ATOM 1242 CA ASP A 81 170.277 16.018 0.065 1.00 0.00 C ATOM 1243 C ASP A 81 170.323 15.582 1.527 1.00 0.00 C ATOM 1244 O ASP A 81 171.099 14.700 1.896 1.00 0.00 O ATOM 1245 CB ASP A 81 171.652 15.823 -0.583 1.00 0.00 C ATOM 1246 CG ASP A 81 171.652 14.713 -1.616 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.439 13.545 -1.232 1.00 0.00 O ATOM 1248 OD2 ASP A 81 171.866 15.013 -2.810 1.00 0.00 O ATOM 0 H ASP A 81 168.881 17.518 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 81 169.548 15.395 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 81 171.964 16.755 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.386 15.596 0.190 1.00 0.00 H new ATOM 1253 N GLU A 82 169.490 16.202 2.355 1.00 0.00 N ATOM 1254 CA GLU A 82 169.439 15.873 3.777 1.00 0.00 C ATOM 1255 C GLU A 82 168.333 14.862 4.077 1.00 0.00 C ATOM 1256 O GLU A 82 167.862 14.772 5.210 1.00 0.00 O ATOM 1257 CB GLU A 82 169.206 17.137 4.595 1.00 0.00 C ATOM 1258 CG GLU A 82 170.398 18.079 4.617 1.00 0.00 C ATOM 1259 CD GLU A 82 171.352 17.785 5.757 1.00 0.00 C ATOM 1260 OE1 GLU A 82 171.010 18.103 6.915 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.443 17.236 5.492 1.00 0.00 O ATOM 0 H GLU A 82 168.841 16.935 2.068 1.00 0.00 H new ATOM 0 HA GLU A 82 170.395 15.426 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.343 17.667 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 82 168.957 16.856 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 82 170.934 18.003 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.043 19.106 4.701 1.00 0.00 H new ATOM 1268 N MET A 83 167.935 14.105 3.054 1.00 0.00 N ATOM 1269 CA MET A 83 166.886 13.086 3.179 1.00 0.00 C ATOM 1270 C MET A 83 165.853 13.448 4.245 1.00 0.00 C ATOM 1271 O MET A 83 166.038 13.159 5.427 1.00 0.00 O ATOM 1272 CB MET A 83 167.503 11.724 3.496 1.00 0.00 C ATOM 1273 CG MET A 83 166.812 10.569 2.788 1.00 0.00 C ATOM 1274 SD MET A 83 167.975 9.440 1.997 1.00 0.00 S ATOM 1275 CE MET A 83 167.089 9.030 0.494 1.00 0.00 C ATOM 0 H MET A 83 168.328 14.179 2.116 1.00 0.00 H new ATOM 0 HA MET A 83 166.369 13.039 2.221 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.556 11.736 3.214 1.00 0.00 H new ATOM 0 HB3 MET A 83 167.463 11.557 4.572 1.00 0.00 H new ATOM 0 HG2 MET A 83 166.208 10.016 3.508 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.129 10.965 2.037 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.005 7.947 0.405 1.00 0.00 H new ATOM 0 HE2 MET A 83 166.092 9.470 0.528 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.630 9.423 -0.366 1.00 0.00 H new ATOM 1285 N ASP A 84 164.766 14.077 3.816 1.00 0.00 N ATOM 1286 CA ASP A 84 163.705 14.475 4.734 1.00 0.00 C ATOM 1287 C ASP A 84 162.788 13.297 5.053 1.00 0.00 C ATOM 1288 O ASP A 84 162.181 13.246 6.123 1.00 0.00 O ATOM 1289 CB ASP A 84 162.887 15.626 4.143 1.00 0.00 C ATOM 1290 CG ASP A 84 162.460 15.360 2.712 1.00 0.00 C ATOM 1291 OD1 ASP A 84 163.344 15.278 1.834 1.00 0.00 O ATOM 1292 OD2 ASP A 84 161.241 15.233 2.471 1.00 0.00 O ATOM 0 H ASP A 84 164.596 14.322 2.841 1.00 0.00 H new ATOM 0 HA ASP A 84 164.173 14.811 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 84 162.002 15.792 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 84 163.476 16.542 4.179 1.00 0.00 H new ATOM 1297 N ASP A 85 162.685 12.357 4.118 1.00 0.00 N ATOM 1298 CA ASP A 85 161.832 11.188 4.306 1.00 0.00 C ATOM 1299 C ASP A 85 162.417 9.957 3.621 1.00 0.00 C ATOM 1300 O ASP A 85 162.680 9.965 2.417 1.00 0.00 O ATOM 1301 CB ASP A 85 160.416 11.452 3.773 1.00 0.00 C ATOM 1302 CG ASP A 85 160.357 12.608 2.790 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.238 12.682 1.908 1.00 0.00 O ATOM 1304 OD2 ASP A 85 159.429 13.436 2.902 1.00 0.00 O ATOM 0 H ASP A 85 163.179 12.381 3.226 1.00 0.00 H new ATOM 0 HA ASP A 85 161.779 10.996 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 85 160.043 10.550 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 85 159.751 11.661 4.611 1.00 0.00 H new ATOM 1309 N VAL A 86 162.594 8.896 4.399 1.00 0.00 N ATOM 1310 CA VAL A 86 163.121 7.637 3.884 1.00 0.00 C ATOM 1311 C VAL A 86 162.003 6.599 3.839 1.00 0.00 C ATOM 1312 O VAL A 86 161.346 6.341 4.846 1.00 0.00 O ATOM 1313 CB VAL A 86 164.306 7.114 4.745 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.161 7.557 6.193 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.434 5.597 4.657 1.00 0.00 C ATOM 0 H VAL A 86 162.379 8.883 5.396 1.00 0.00 H new ATOM 0 HA VAL A 86 163.502 7.813 2.878 1.00 0.00 H new ATOM 0 HB VAL A 86 165.221 7.549 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.002 7.179 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.147 8.646 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.230 7.164 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.272 5.266 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.516 5.133 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 86 164.606 5.306 3.621 1.00 0.00 H new ATOM 1325 N PHE A 87 161.780 6.019 2.665 1.00 0.00 N ATOM 1326 CA PHE A 87 160.725 5.026 2.498 1.00 0.00 C ATOM 1327 C PHE A 87 161.235 3.622 2.788 1.00 0.00 C ATOM 1328 O PHE A 87 160.466 2.745 3.181 1.00 0.00 O ATOM 1329 CB PHE A 87 160.156 5.084 1.080 1.00 0.00 C ATOM 1330 CG PHE A 87 159.091 6.127 0.895 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.148 6.362 1.884 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.031 6.868 -0.272 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.168 7.318 1.711 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.053 7.826 -0.451 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.120 8.051 0.542 1.00 0.00 C ATOM 0 H PHE A 87 162.313 6.218 1.818 1.00 0.00 H new ATOM 0 HA PHE A 87 159.936 5.260 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 87 160.969 5.280 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 87 159.744 4.108 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.181 5.791 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 87 159.758 6.695 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.440 7.493 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.018 8.398 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.354 8.799 0.404 1.00 0.00 H new ATOM 1345 N ALA A 88 162.530 3.409 2.597 1.00 0.00 N ATOM 1346 CA ALA A 88 163.121 2.104 2.849 1.00 0.00 C ATOM 1347 C ALA A 88 164.630 2.207 3.008 1.00 0.00 C ATOM 1348 O ALA A 88 165.266 3.090 2.432 1.00 0.00 O ATOM 1349 CB ALA A 88 162.772 1.137 1.726 1.00 0.00 C ATOM 0 H ALA A 88 163.186 4.118 2.271 1.00 0.00 H new ATOM 0 HA ALA A 88 162.708 1.722 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.222 0.165 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.689 1.029 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.155 1.523 0.781 1.00 0.00 H new ATOM 1355 N LYS A 89 165.205 1.288 3.777 1.00 0.00 N ATOM 1356 CA LYS A 89 166.645 1.257 3.998 1.00 0.00 C ATOM 1357 C LYS A 89 167.135 -0.172 3.802 1.00 0.00 C ATOM 1358 O LYS A 89 166.442 -1.116 4.174 1.00 0.00 O ATOM 1359 CB LYS A 89 166.988 1.747 5.409 1.00 0.00 C ATOM 1360 CG LYS A 89 165.955 2.696 6.001 1.00 0.00 C ATOM 1361 CD LYS A 89 166.486 3.400 7.238 1.00 0.00 C ATOM 1362 CE LYS A 89 165.510 3.302 8.400 1.00 0.00 C ATOM 1363 NZ LYS A 89 165.312 4.617 9.070 1.00 0.00 N ATOM 0 H LYS A 89 164.691 0.551 4.260 1.00 0.00 H new ATOM 0 HA LYS A 89 167.137 1.920 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.093 0.884 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.955 2.249 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.671 3.437 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.054 2.139 6.257 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.441 2.960 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.675 4.449 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.551 2.930 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.880 2.577 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 164.640 4.508 9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.222 4.960 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 164.935 5.302 8.385 1.00 0.00 H new ATOM 1377 N PHE A 90 168.300 -0.342 3.191 1.00 0.00 N ATOM 1378 CA PHE A 90 168.814 -1.683 2.932 1.00 0.00 C ATOM 1379 C PHE A 90 170.170 -1.936 3.582 1.00 0.00 C ATOM 1380 O PHE A 90 170.996 -1.033 3.717 1.00 0.00 O ATOM 1381 CB PHE A 90 168.907 -1.918 1.424 1.00 0.00 C ATOM 1382 CG PHE A 90 167.591 -1.750 0.720 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.969 -0.512 0.674 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.972 -2.830 0.111 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.754 -0.355 0.035 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.758 -2.678 -0.531 1.00 0.00 C ATOM 1387 CZ PHE A 90 165.148 -1.438 -0.569 1.00 0.00 C ATOM 0 H PHE A 90 168.900 0.418 2.869 1.00 0.00 H new ATOM 0 HA PHE A 90 168.112 -2.386 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.631 -1.224 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 90 169.284 -2.924 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.439 0.340 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 90 167.444 -3.801 0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.279 0.614 0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 90 165.286 -3.527 -1.003 1.00 0.00 H new ATOM 0 HZ PHE A 90 164.199 -1.317 -1.070 1.00 0.00 H new ATOM 1397 N LEU A 91 170.385 -3.193 3.958 1.00 0.00 N ATOM 1398 CA LEU A 91 171.631 -3.631 4.575 1.00 0.00 C ATOM 1399 C LEU A 91 172.104 -4.911 3.892 1.00 0.00 C ATOM 1400 O LEU A 91 171.408 -5.924 3.924 1.00 0.00 O ATOM 1401 CB LEU A 91 171.432 -3.891 6.072 1.00 0.00 C ATOM 1402 CG LEU A 91 171.158 -2.654 6.931 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.546 -3.058 8.265 1.00 0.00 C ATOM 1404 CD2 LEU A 91 172.442 -1.872 7.150 1.00 0.00 C ATOM 0 H LEU A 91 169.698 -3.938 3.843 1.00 0.00 H new ATOM 0 HA LEU A 91 172.379 -2.846 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.601 -4.586 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.323 -4.388 6.457 1.00 0.00 H new ATOM 0 HG LEU A 91 170.447 -2.016 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 91 170.357 -2.167 8.864 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.607 -3.583 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.235 -3.714 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 91 172.234 -0.995 7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 91 173.171 -2.504 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.844 -1.556 6.188 1.00 0.00 H new ATOM 1416 N ILE A 92 173.275 -4.869 3.263 1.00 0.00 N ATOM 1417 CA ILE A 92 173.798 -6.046 2.567 1.00 0.00 C ATOM 1418 C ILE A 92 175.195 -6.419 3.053 1.00 0.00 C ATOM 1419 O ILE A 92 176.036 -5.553 3.296 1.00 0.00 O ATOM 1420 CB ILE A 92 173.840 -5.843 1.031 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.678 -4.364 0.667 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.768 -6.686 0.350 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.266 -3.859 0.826 1.00 0.00 C ATOM 0 H ILE A 92 173.875 -4.045 3.219 1.00 0.00 H new ATOM 0 HA ILE A 92 173.109 -6.858 2.799 1.00 0.00 H new ATOM 0 HB ILE A 92 174.816 -6.172 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 92 174.342 -3.768 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.995 -4.215 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.813 -6.530 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.938 -7.740 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.785 -6.392 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.223 -2.805 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 92 171.600 -4.430 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.952 -3.977 1.863 1.00 0.00 H new ATOM 1435 N SER A 93 175.433 -7.722 3.183 1.00 0.00 N ATOM 1436 CA SER A 93 176.728 -8.226 3.630 1.00 0.00 C ATOM 1437 C SER A 93 177.797 -7.994 2.564 1.00 0.00 C ATOM 1438 O SER A 93 177.665 -8.453 1.429 1.00 0.00 O ATOM 1439 CB SER A 93 176.632 -9.719 3.956 1.00 0.00 C ATOM 1440 OG SER A 93 176.930 -10.512 2.820 1.00 0.00 O ATOM 0 H SER A 93 174.745 -8.448 2.985 1.00 0.00 H new ATOM 0 HA SER A 93 177.013 -7.682 4.531 1.00 0.00 H new ATOM 0 HB2 SER A 93 177.322 -9.963 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.629 -9.952 4.313 1.00 0.00 H new ATOM 0 HG SER A 93 176.876 -9.960 2.012 1.00 0.00 H new ATOM 1446 N HIS A 94 178.852 -7.275 2.933 1.00 0.00 N ATOM 1447 CA HIS A 94 179.940 -6.981 2.003 1.00 0.00 C ATOM 1448 C HIS A 94 180.689 -8.252 1.606 1.00 0.00 C ATOM 1449 O HIS A 94 181.194 -8.360 0.489 1.00 0.00 O ATOM 1450 CB HIS A 94 180.919 -5.979 2.622 1.00 0.00 C ATOM 1451 CG HIS A 94 180.473 -4.555 2.517 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.878 -3.712 1.506 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.660 -3.824 3.311 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.333 -2.521 1.684 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.588 -2.563 2.772 1.00 0.00 N ATOM 0 H HIS A 94 178.978 -6.885 3.867 1.00 0.00 H new ATOM 0 HA HIS A 94 179.498 -6.546 1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 94 181.063 -6.228 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.888 -6.083 2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.159 -4.168 4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.474 -1.660 1.047 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.047 -1.786 3.151 1.00 0.00 H new ATOM 1464 N ARG A 95 180.763 -9.208 2.528 1.00 0.00 N ATOM 1465 CA ARG A 95 181.460 -10.466 2.271 1.00 0.00 C ATOM 1466 C ARG A 95 180.909 -11.161 1.029 1.00 0.00 C ATOM 1467 O ARG A 95 179.967 -10.679 0.401 1.00 0.00 O ATOM 1468 CB ARG A 95 181.354 -11.394 3.483 1.00 0.00 C ATOM 1469 CG ARG A 95 179.925 -11.741 3.869 1.00 0.00 C ATOM 1470 CD ARG A 95 179.889 -12.758 4.999 1.00 0.00 C ATOM 1471 NE ARG A 95 178.624 -12.725 5.730 1.00 0.00 N ATOM 1472 CZ ARG A 95 178.390 -13.428 6.836 1.00 0.00 C ATOM 1473 NH1 ARG A 95 179.331 -14.218 7.340 1.00 0.00 N ATOM 1474 NH2 ARG A 95 177.214 -13.342 7.441 1.00 0.00 N ATOM 0 H ARG A 95 180.350 -9.137 3.458 1.00 0.00 H new ATOM 0 HA ARG A 95 182.510 -10.234 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 95 181.897 -12.315 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 95 181.846 -10.922 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 95 179.399 -10.837 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 95 179.398 -12.139 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.046 -13.757 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 95 180.710 -12.562 5.688 1.00 0.00 H new ATOM 0 HE ARG A 95 177.877 -12.129 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 95 180.238 -14.288 6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 95 179.146 -14.754 8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 95 176.487 -12.737 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 95 177.036 -13.881 8.288 1.00 0.00 H new ATOM 1488 N GLU A 96 181.514 -12.292 0.675 1.00 0.00 N ATOM 1489 CA GLU A 96 181.095 -13.050 -0.499 1.00 0.00 C ATOM 1490 C GLU A 96 180.289 -14.286 -0.107 1.00 0.00 C ATOM 1491 O GLU A 96 179.200 -14.517 -0.632 1.00 0.00 O ATOM 1492 CB GLU A 96 182.316 -13.465 -1.320 1.00 0.00 C ATOM 1493 CG GLU A 96 181.990 -13.811 -2.763 1.00 0.00 C ATOM 1494 CD GLU A 96 183.231 -14.059 -3.597 1.00 0.00 C ATOM 1495 OE1 GLU A 96 183.739 -15.200 -3.582 1.00 0.00 O ATOM 1496 OE2 GLU A 96 183.696 -13.112 -4.266 1.00 0.00 O ATOM 0 H GLU A 96 182.296 -12.703 1.185 1.00 0.00 H new ATOM 0 HA GLU A 96 180.454 -12.405 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 96 183.046 -12.655 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 96 182.786 -14.326 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.358 -14.699 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 96 181.415 -12.998 -3.207 1.00 0.00 H new ATOM 1503 N GLU A 97 180.827 -15.077 0.817 1.00 0.00 N ATOM 1504 CA GLU A 97 180.149 -16.285 1.273 1.00 0.00 C ATOM 1505 C GLU A 97 178.982 -15.930 2.183 1.00 0.00 C ATOM 1506 O GLU A 97 179.157 -15.252 3.195 1.00 0.00 O ATOM 1507 CB GLU A 97 181.131 -17.204 2.006 1.00 0.00 C ATOM 1508 CG GLU A 97 181.462 -18.475 1.242 1.00 0.00 C ATOM 1509 CD GLU A 97 182.102 -19.532 2.120 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.384 -20.129 2.950 1.00 0.00 O ATOM 1511 OE2 GLU A 97 183.321 -19.764 1.978 1.00 0.00 O ATOM 0 H GLU A 97 181.728 -14.903 1.263 1.00 0.00 H new ATOM 0 HA GLU A 97 179.762 -16.812 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 97 182.053 -16.656 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.710 -17.472 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 97 180.550 -18.878 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 97 182.135 -18.235 0.419 1.00 0.00 H new ATOM 1518 N ASP A 98 177.788 -16.373 1.807 1.00 0.00 N ATOM 1519 CA ASP A 98 176.592 -16.080 2.582 1.00 0.00 C ATOM 1520 C ASP A 98 176.332 -14.581 2.578 1.00 0.00 C ATOM 1521 O ASP A 98 177.099 -13.807 3.150 1.00 0.00 O ATOM 1522 CB ASP A 98 176.739 -16.590 4.019 1.00 0.00 C ATOM 1523 CG ASP A 98 176.205 -17.998 4.188 1.00 0.00 C ATOM 1524 OD1 ASP A 98 175.004 -18.215 3.921 1.00 0.00 O ATOM 1525 OD2 ASP A 98 176.987 -18.885 4.590 1.00 0.00 O ATOM 0 H ASP A 98 177.624 -16.935 0.972 1.00 0.00 H new ATOM 0 HA ASP A 98 175.745 -16.591 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 98 177.791 -16.566 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.210 -15.919 4.696 1.00 0.00 H new ATOM 1530 N ARG A 99 175.251 -14.174 1.924 1.00 0.00 N ATOM 1531 CA ARG A 99 174.899 -12.763 1.841 1.00 0.00 C ATOM 1532 C ARG A 99 173.519 -12.515 2.443 1.00 0.00 C ATOM 1533 O ARG A 99 172.510 -12.993 1.927 1.00 0.00 O ATOM 1534 CB ARG A 99 174.940 -12.297 0.377 1.00 0.00 C ATOM 1535 CG ARG A 99 174.105 -11.054 0.081 1.00 0.00 C ATOM 1536 CD ARG A 99 174.811 -10.132 -0.902 1.00 0.00 C ATOM 1537 NE ARG A 99 173.908 -9.125 -1.455 1.00 0.00 N ATOM 1538 CZ ARG A 99 172.922 -9.400 -2.307 1.00 0.00 C ATOM 1539 NH1 ARG A 99 172.707 -10.648 -2.705 1.00 0.00 N ATOM 1540 NH2 ARG A 99 172.150 -8.423 -2.763 1.00 0.00 N ATOM 0 H ARG A 99 174.604 -14.800 1.444 1.00 0.00 H new ATOM 0 HA ARG A 99 175.626 -12.188 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 99 175.976 -12.097 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 99 174.593 -13.111 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.139 -11.351 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 99 173.908 -10.517 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 99 175.643 -9.637 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 99 175.235 -10.724 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 99 174.041 -8.154 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 99 173.299 -11.403 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 99 171.950 -10.852 -3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 99 172.312 -7.462 -2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 99 171.395 -8.632 -3.416 1.00 0.00 H new ATOM 1554 N GLU A 100 173.486 -11.762 3.535 1.00 0.00 N ATOM 1555 CA GLU A 100 172.231 -11.446 4.205 1.00 0.00 C ATOM 1556 C GLU A 100 171.764 -10.044 3.836 1.00 0.00 C ATOM 1557 O GLU A 100 172.553 -9.097 3.829 1.00 0.00 O ATOM 1558 CB GLU A 100 172.391 -11.559 5.722 1.00 0.00 C ATOM 1559 CG GLU A 100 171.107 -11.934 6.446 1.00 0.00 C ATOM 1560 CD GLU A 100 170.467 -13.190 5.887 1.00 0.00 C ATOM 1561 OE1 GLU A 100 170.822 -14.294 6.350 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.611 -13.069 4.985 1.00 0.00 O ATOM 0 H GLU A 100 174.313 -11.359 3.975 1.00 0.00 H new ATOM 0 HA GLU A 100 171.480 -12.164 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 100 173.154 -12.305 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 100 172.753 -10.608 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 100 171.321 -12.080 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 100 170.400 -11.108 6.375 1.00 0.00 H new ATOM 1569 N PHE A 101 170.477 -9.918 3.530 1.00 0.00 N ATOM 1570 CA PHE A 101 169.903 -8.631 3.163 1.00 0.00 C ATOM 1571 C PHE A 101 168.681 -8.319 4.020 1.00 0.00 C ATOM 1572 O PHE A 101 167.875 -9.201 4.316 1.00 0.00 O ATOM 1573 CB PHE A 101 169.532 -8.613 1.676 1.00 0.00 C ATOM 1574 CG PHE A 101 168.340 -9.463 1.333 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.055 -8.989 1.539 1.00 0.00 C ATOM 1576 CD2 PHE A 101 168.507 -10.732 0.802 1.00 0.00 C ATOM 1577 CE1 PHE A 101 165.956 -9.765 1.222 1.00 0.00 C ATOM 1578 CE2 PHE A 101 167.412 -11.513 0.483 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.135 -11.029 0.693 1.00 0.00 C ATOM 0 H PHE A 101 169.813 -10.692 3.529 1.00 0.00 H new ATOM 0 HA PHE A 101 170.653 -7.860 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.331 -7.585 1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.388 -8.954 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 101 166.910 -8.002 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 101 169.503 -11.115 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 101 164.959 -9.384 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 101 167.555 -12.501 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.278 -11.638 0.444 1.00 0.00 H new ATOM 1589 N HIS A 102 168.553 -7.058 4.417 1.00 0.00 N ATOM 1590 CA HIS A 102 167.436 -6.622 5.242 1.00 0.00 C ATOM 1591 C HIS A 102 166.884 -5.300 4.721 1.00 0.00 C ATOM 1592 O HIS A 102 167.609 -4.517 4.108 1.00 0.00 O ATOM 1593 CB HIS A 102 167.847 -6.451 6.717 1.00 0.00 C ATOM 1594 CG HIS A 102 169.121 -7.142 7.134 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.347 -7.551 8.433 1.00 0.00 N ATOM 1596 CD2 HIS A 102 170.247 -7.470 6.445 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.548 -8.093 8.524 1.00 0.00 C ATOM 1598 NE2 HIS A 102 171.111 -8.058 7.333 1.00 0.00 N ATOM 0 H HIS A 102 169.213 -6.318 4.179 1.00 0.00 H new ATOM 0 HA HIS A 102 166.670 -7.395 5.186 1.00 0.00 H new ATOM 0 HB2 HIS A 102 167.951 -5.386 6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 102 167.035 -6.819 7.344 1.00 0.00 H new ATOM 0 HD2 HIS A 102 170.427 -7.299 5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.993 -8.496 9.422 1.00 0.00 H new ATOM 0 HE2 HIS A 102 172.041 -8.412 7.108 1.00 0.00 H new ATOM 1607 N VAL A 103 165.604 -5.046 4.973 1.00 0.00 N ATOM 1608 CA VAL A 103 164.984 -3.807 4.527 1.00 0.00 C ATOM 1609 C VAL A 103 163.860 -3.371 5.456 1.00 0.00 C ATOM 1610 O VAL A 103 163.045 -4.185 5.891 1.00 0.00 O ATOM 1611 CB VAL A 103 164.431 -3.923 3.095 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.266 -4.900 3.039 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.011 -2.556 2.574 1.00 0.00 C ATOM 0 H VAL A 103 164.982 -5.676 5.479 1.00 0.00 H new ATOM 0 HA VAL A 103 165.773 -3.055 4.543 1.00 0.00 H new ATOM 0 HB VAL A 103 165.224 -4.308 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.893 -4.964 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.601 -5.885 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.468 -4.552 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.623 -2.657 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.237 -2.143 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.873 -1.889 2.568 1.00 0.00 H new ATOM 1623 N ILE A 104 163.818 -2.077 5.742 1.00 0.00 N ATOM 1624 CA ILE A 104 162.786 -1.518 6.607 1.00 0.00 C ATOM 1625 C ILE A 104 161.902 -0.552 5.836 1.00 0.00 C ATOM 1626 O ILE A 104 162.397 0.340 5.151 1.00 0.00 O ATOM 1627 CB ILE A 104 163.376 -0.782 7.827 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.723 -0.131 7.478 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.505 -1.739 9.001 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.914 -1.061 7.594 1.00 0.00 C ATOM 0 H ILE A 104 164.487 -1.393 5.388 1.00 0.00 H new ATOM 0 HA ILE A 104 162.197 -2.362 6.965 1.00 0.00 H new ATOM 0 HB ILE A 104 162.696 0.020 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.675 0.253 6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.880 0.725 8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.923 -1.210 9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.522 -2.131 9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.164 -2.563 8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.824 -0.522 7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.992 -1.426 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.784 -1.905 6.917 1.00 0.00 H new ATOM 1642 N TRP A 105 160.593 -0.735 5.955 1.00 0.00 N ATOM 1643 CA TRP A 105 159.636 0.127 5.267 1.00 0.00 C ATOM 1644 C TRP A 105 158.913 1.038 6.254 1.00 0.00 C ATOM 1645 O TRP A 105 158.723 0.683 7.417 1.00 0.00 O ATOM 1646 CB TRP A 105 158.615 -0.710 4.491 1.00 0.00 C ATOM 1647 CG TRP A 105 159.228 -1.839 3.713 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.359 -3.138 4.116 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.788 -1.772 2.395 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.958 -3.882 3.126 1.00 0.00 N ATOM 1651 CE2 TRP A 105 160.230 -3.066 2.060 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.956 -0.746 1.463 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.823 -3.355 0.832 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.541 -1.031 0.251 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.968 -2.327 -0.060 1.00 0.00 C ATOM 0 H TRP A 105 160.169 -1.471 6.520 1.00 0.00 H new ATOM 0 HA TRP A 105 160.193 0.747 4.565 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.885 -1.117 5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 105 158.072 -0.060 3.805 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.039 -3.524 5.072 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.166 -4.879 3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.631 0.258 1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 161.156 -4.354 0.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.673 -0.241 -0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.420 -2.520 -1.022 1.00 0.00 H new ATOM 1666 N LYS A 106 158.510 2.213 5.780 1.00 0.00 N ATOM 1667 CA LYS A 106 157.806 3.176 6.618 1.00 0.00 C ATOM 1668 C LYS A 106 156.460 2.620 7.072 1.00 0.00 C ATOM 1669 O LYS A 106 155.934 1.678 6.478 1.00 0.00 O ATOM 1670 CB LYS A 106 157.598 4.488 5.859 1.00 0.00 C ATOM 1671 CG LYS A 106 158.742 5.475 6.024 1.00 0.00 C ATOM 1672 CD LYS A 106 158.235 6.885 6.290 1.00 0.00 C ATOM 1673 CE LYS A 106 158.441 7.789 5.085 1.00 0.00 C ATOM 1674 NZ LYS A 106 158.586 9.218 5.479 1.00 0.00 N ATOM 0 H LYS A 106 158.659 2.521 4.819 1.00 0.00 H new ATOM 0 HA LYS A 106 158.417 3.367 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.469 4.268 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.675 4.954 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.381 5.157 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.357 5.473 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 106 157.175 6.850 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 106 158.755 7.303 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 106 159.330 7.471 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.596 7.684 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 158.453 9.824 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 157.871 9.455 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 159.536 9.375 5.873 1.00 0.00 H new ATOM 1688 N LYS A 107 155.907 3.209 8.126 1.00 0.00 N ATOM 1689 CA LYS A 107 154.621 2.774 8.658 1.00 0.00 C ATOM 1690 C LYS A 107 153.787 3.968 9.110 1.00 0.00 C ATOM 1691 O LYS A 107 154.354 4.875 9.755 1.00 0.00 O ATOM 1692 CB LYS A 107 154.827 1.810 9.828 1.00 0.00 C ATOM 1693 CG LYS A 107 155.802 2.325 10.875 1.00 0.00 C ATOM 1694 CD LYS A 107 157.128 1.585 10.816 1.00 0.00 C ATOM 1695 CE LYS A 107 157.129 0.371 11.731 1.00 0.00 C ATOM 1696 NZ LYS A 107 156.806 -0.882 10.994 1.00 0.00 N ATOM 1697 OXT LYS A 107 152.573 3.987 8.815 1.00 0.00 O ATOM 0 H LYS A 107 156.329 3.989 8.629 1.00 0.00 H new ATOM 0 HA LYS A 107 154.084 2.258 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 107 153.865 1.617 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.190 0.857 9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 107 155.972 3.391 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.365 2.211 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 107 157.325 1.270 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 107 157.935 2.259 11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 107 158.107 0.273 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 107 156.403 0.519 12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 155.948 -1.311 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 156.644 -0.663 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.599 -1.549 11.079 1.00 0.00 H new TER 1711 LYS A 107