USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 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 9 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.037) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -145:sc= -1.04 (180deg=-2.08!) USER MOD Single : A 16 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.63) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.445 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0936 USER MOD Single : A 37 THR OG1 : rot -22:sc= 0.72 USER MOD Single : A 41 SER OG : rot 35:sc= 0.168 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 164:sc= 0.325 USER MOD Single : A 51 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -51:sc= 0.254 USER MOD Single : A 65 MET CE :methyl -113:sc= -0.308 (180deg=-3.7!) USER MOD Single : A 67 MET CE :methyl -156:sc= -0.0838 (180deg=-1.17) USER MOD Single : A 70 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.3) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 100 TYR OH : rot 80:sc= 0.0525 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0682 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -8.058 -1.116 8.814 1.00 0.00 N ATOM 67 CA LEU A 8 -7.046 -0.745 7.841 1.00 0.00 C ATOM 68 C LEU A 8 -5.818 -0.197 8.572 1.00 0.00 C ATOM 69 O LEU A 8 -4.700 -0.282 8.066 1.00 0.00 O ATOM 70 CB LEU A 8 -7.626 0.220 6.805 1.00 0.00 C ATOM 71 CG LEU A 8 -8.767 -0.326 5.944 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.292 0.744 4.986 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.337 -1.595 5.205 1.00 0.00 C ATOM 0 HA LEU A 8 -6.719 -1.620 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.983 1.109 7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.820 0.540 6.145 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.591 -0.600 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.102 0.329 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.663 1.594 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.486 1.072 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.166 -1.963 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.489 -1.370 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.050 -2.358 5.929 1.00 0.00 H new ATOM 85 N HIS A 9 -6.068 0.353 9.751 1.00 0.00 N ATOM 86 CA HIS A 9 -4.998 0.915 10.557 1.00 0.00 C ATOM 87 C HIS A 9 -4.005 -0.187 10.931 1.00 0.00 C ATOM 88 O HIS A 9 -2.830 -0.118 10.571 1.00 0.00 O ATOM 89 CB HIS A 9 -5.562 1.644 11.778 1.00 0.00 C ATOM 90 CG HIS A 9 -4.869 2.949 12.088 1.00 0.00 C ATOM 91 ND1 HIS A 9 -4.553 3.342 13.377 1.00 0.00 N ATOM 92 CD2 HIS A 9 -4.434 3.945 11.264 1.00 0.00 C ATOM 93 CE1 HIS A 9 -3.956 4.524 13.320 1.00 0.00 C ATOM 94 NE2 HIS A 9 -3.884 4.896 12.010 1.00 0.00 N ATOM 0 H HIS A 9 -6.997 0.421 10.168 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.457 1.663 9.978 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.622 1.837 11.615 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.487 0.989 12.646 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.522 3.958 10.188 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.591 5.092 14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.475 5.763 11.661 1.00 0.00 H new ATOM 102 N ARG A 10 -4.513 -1.179 11.648 1.00 0.00 N ATOM 103 CA ARG A 10 -3.685 -2.294 12.075 1.00 0.00 C ATOM 104 C ARG A 10 -2.991 -2.932 10.870 1.00 0.00 C ATOM 105 O ARG A 10 -1.975 -3.609 11.020 1.00 0.00 O ATOM 106 CB ARG A 10 -4.519 -3.355 12.795 1.00 0.00 C ATOM 107 CG ARG A 10 -5.277 -4.229 11.794 1.00 0.00 C ATOM 108 CD ARG A 10 -4.697 -5.644 11.752 1.00 0.00 C ATOM 109 NE ARG A 10 -5.734 -6.628 12.135 1.00 0.00 N ATOM 110 CZ ARG A 10 -6.092 -6.889 13.400 1.00 0.00 C ATOM 111 NH1 ARG A 10 -5.499 -6.240 14.411 1.00 0.00 N ATOM 112 NH2 ARG A 10 -7.044 -7.797 13.653 1.00 0.00 N ATOM 0 H ARG A 10 -5.488 -1.234 11.944 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.937 -1.906 12.766 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.869 -3.979 13.409 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.226 -2.871 13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.331 -4.272 12.069 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.224 -3.781 10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.327 -5.865 10.751 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.846 -5.717 12.430 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.206 -7.140 11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.775 -5.548 14.218 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.771 -6.438 15.374 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.496 -8.290 12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.316 -7.996 14.616 1.00 0.00 H new ATOM 126 N ILE A 11 -3.568 -2.693 9.701 1.00 0.00 N ATOM 127 CA ILE A 11 -3.018 -3.236 8.470 1.00 0.00 C ATOM 128 C ILE A 11 -1.819 -2.390 8.036 1.00 0.00 C ATOM 129 O ILE A 11 -0.790 -2.928 7.630 1.00 0.00 O ATOM 130 CB ILE A 11 -4.107 -3.354 7.402 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.253 -4.245 7.884 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.523 -3.839 6.074 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.402 -4.255 6.874 1.00 0.00 C ATOM 0 H ILE A 11 -4.411 -2.131 9.580 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.652 -4.250 8.631 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.523 -2.362 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.889 -5.261 8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.615 -3.888 8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.318 -3.914 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.770 -3.131 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.064 -4.818 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.204 -4.896 7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.780 -3.241 6.742 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.043 -4.635 5.918 1.00 0.00 H new ATOM 145 N VAL A 12 -1.993 -1.080 8.136 1.00 0.00 N ATOM 146 CA VAL A 12 -0.938 -0.155 7.759 1.00 0.00 C ATOM 147 C VAL A 12 0.253 -0.333 8.702 1.00 0.00 C ATOM 148 O VAL A 12 1.390 -0.473 8.253 1.00 0.00 O ATOM 149 CB VAL A 12 -1.479 1.276 7.743 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.337 2.294 7.709 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.436 1.488 6.567 1.00 0.00 C ATOM 0 H VAL A 12 -2.848 -0.638 8.472 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.587 -0.368 6.749 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.040 1.431 8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.749 3.303 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.290 2.167 8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.263 2.138 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.806 2.513 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.909 1.304 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.276 0.798 6.652 1.00 0.00 H new ATOM 161 N ASP A 13 -0.048 -0.322 9.992 1.00 0.00 N ATOM 162 CA ASP A 13 0.984 -0.481 11.003 1.00 0.00 C ATOM 163 C ASP A 13 1.917 -1.623 10.598 1.00 0.00 C ATOM 164 O ASP A 13 3.135 -1.512 10.730 1.00 0.00 O ATOM 165 CB ASP A 13 0.374 -0.827 12.363 1.00 0.00 C ATOM 166 CG ASP A 13 -0.030 0.377 13.216 1.00 0.00 C ATOM 167 OD1 ASP A 13 -1.057 0.999 12.868 1.00 0.00 O ATOM 168 OD2 ASP A 13 0.696 0.647 14.196 1.00 0.00 O ATOM 0 H ASP A 13 -0.992 -0.205 10.361 1.00 0.00 H new ATOM 0 HA ASP A 13 1.528 0.461 11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.505 -1.450 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.091 -1.426 12.924 1.00 0.00 H new ATOM 173 N LYS A 14 1.310 -2.696 10.112 1.00 0.00 N ATOM 174 CA LYS A 14 2.071 -3.858 9.686 1.00 0.00 C ATOM 175 C LYS A 14 2.932 -3.485 8.477 1.00 0.00 C ATOM 176 O LYS A 14 4.135 -3.739 8.465 1.00 0.00 O ATOM 177 CB LYS A 14 1.140 -5.046 9.435 1.00 0.00 C ATOM 178 CG LYS A 14 1.592 -6.274 10.229 1.00 0.00 C ATOM 179 CD LYS A 14 0.404 -6.946 10.921 1.00 0.00 C ATOM 180 CE LYS A 14 0.875 -7.854 12.059 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.281 -8.496 12.722 1.00 0.00 N ATOM 0 H LYS A 14 0.300 -2.785 10.004 1.00 0.00 H new ATOM 0 HA LYS A 14 2.752 -4.177 10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.121 -4.780 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.124 -5.282 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.078 -6.985 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.332 -5.979 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.271 -6.185 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.162 -7.530 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.548 -8.617 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.441 -7.272 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.056 -9.109 13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.908 -7.764 13.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.805 -9.068 12.029 1.00 0.00 H new ATOM 195 N MET A 15 2.281 -2.887 7.490 1.00 0.00 N ATOM 196 CA MET A 15 2.971 -2.476 6.280 1.00 0.00 C ATOM 197 C MET A 15 4.164 -1.576 6.608 1.00 0.00 C ATOM 198 O MET A 15 5.163 -1.577 5.890 1.00 0.00 O ATOM 199 CB MET A 15 1.999 -1.723 5.368 1.00 0.00 C ATOM 200 CG MET A 15 0.747 -2.558 5.094 1.00 0.00 C ATOM 201 SD MET A 15 0.815 -3.235 3.443 1.00 0.00 S ATOM 202 CE MET A 15 -0.165 -2.024 2.571 1.00 0.00 C ATOM 0 H MET A 15 1.283 -2.677 7.504 1.00 0.00 H new ATOM 0 HA MET A 15 3.341 -3.368 5.774 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.716 -0.778 5.833 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.492 -1.480 4.427 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.670 -3.364 5.824 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.144 -1.940 5.206 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.737 -2.517 1.785 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.849 -1.539 3.268 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.492 -1.276 2.127 1.00 0.00 H new ATOM 212 N HIS A 16 4.021 -0.830 7.693 1.00 0.00 N ATOM 213 CA HIS A 16 5.075 0.073 8.125 1.00 0.00 C ATOM 214 C HIS A 16 6.313 -0.735 8.520 1.00 0.00 C ATOM 215 O HIS A 16 7.433 -0.230 8.460 1.00 0.00 O ATOM 216 CB HIS A 16 4.581 0.987 9.247 1.00 0.00 C ATOM 217 CG HIS A 16 3.913 2.252 8.761 1.00 0.00 C ATOM 218 ND1 HIS A 16 4.515 3.120 7.867 1.00 0.00 N ATOM 219 CD2 HIS A 16 2.691 2.783 9.052 1.00 0.00 C ATOM 220 CE1 HIS A 16 3.684 4.127 7.638 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.554 3.916 8.373 1.00 0.00 N ATOM 0 H HIS A 16 3.191 -0.832 8.286 1.00 0.00 H new ATOM 0 HA HIS A 16 5.359 0.727 7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.878 0.433 9.869 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.426 1.255 9.881 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.959 2.355 9.721 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.869 4.967 6.985 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.738 4.528 8.397 1.00 0.00 H new ATOM 229 N ASP A 17 6.069 -1.976 8.914 1.00 0.00 N ATOM 230 CA ASP A 17 7.149 -2.859 9.319 1.00 0.00 C ATOM 231 C ASP A 17 7.887 -3.358 8.075 1.00 0.00 C ATOM 232 O ASP A 17 7.327 -3.372 6.980 1.00 0.00 O ATOM 233 CB ASP A 17 6.613 -4.078 10.072 1.00 0.00 C ATOM 234 CG ASP A 17 7.546 -4.636 11.148 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.741 -4.811 10.828 1.00 0.00 O ATOM 236 OD2 ASP A 17 7.042 -4.874 12.267 1.00 0.00 O ATOM 0 H ASP A 17 5.138 -2.391 8.961 1.00 0.00 H new ATOM 0 HA ASP A 17 7.816 -2.297 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.665 -3.810 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.402 -4.868 9.351 1.00 0.00 H new ATOM 241 N THR A 18 9.133 -3.757 8.285 1.00 0.00 N ATOM 242 CA THR A 18 9.953 -4.256 7.195 1.00 0.00 C ATOM 243 C THR A 18 10.165 -5.765 7.333 1.00 0.00 C ATOM 244 O THR A 18 10.646 -6.416 6.408 1.00 0.00 O ATOM 245 CB THR A 18 11.259 -3.458 7.181 1.00 0.00 C ATOM 246 OG1 THR A 18 11.959 -3.958 6.046 1.00 0.00 O ATOM 247 CG2 THR A 18 12.168 -3.803 8.362 1.00 0.00 C ATOM 0 H THR A 18 9.594 -3.745 9.195 1.00 0.00 H new ATOM 0 HA THR A 18 9.459 -4.116 6.234 1.00 0.00 H new ATOM 0 HB THR A 18 11.033 -2.392 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.725 -4.899 5.906 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.080 -3.209 8.304 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.650 -3.583 9.296 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.422 -4.863 8.328 1.00 0.00 H new ATOM 255 N SER A 19 9.794 -6.277 8.498 1.00 0.00 N ATOM 256 CA SER A 19 9.937 -7.697 8.770 1.00 0.00 C ATOM 257 C SER A 19 8.608 -8.414 8.523 1.00 0.00 C ATOM 258 O SER A 19 8.510 -9.260 7.636 1.00 0.00 O ATOM 259 CB SER A 19 10.411 -7.938 10.204 1.00 0.00 C ATOM 260 OG SER A 19 11.827 -7.829 10.324 1.00 0.00 O ATOM 0 H SER A 19 9.395 -5.734 9.264 1.00 0.00 H new ATOM 0 HA SER A 19 10.691 -8.100 8.094 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.934 -7.218 10.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.095 -8.929 10.528 1.00 0.00 H new ATOM 0 HG SER A 19 12.090 -7.988 11.255 1.00 0.00 H new ATOM 266 N THR A 20 7.617 -8.048 9.323 1.00 0.00 N ATOM 267 CA THR A 20 6.298 -8.646 9.203 1.00 0.00 C ATOM 268 C THR A 20 5.425 -7.824 8.253 1.00 0.00 C ATOM 269 O THR A 20 4.304 -8.218 7.936 1.00 0.00 O ATOM 270 CB THR A 20 5.709 -8.778 10.608 1.00 0.00 C ATOM 271 OG1 THR A 20 5.966 -7.513 11.213 1.00 0.00 O ATOM 272 CG2 THR A 20 6.484 -9.770 11.478 1.00 0.00 C ATOM 0 H THR A 20 7.701 -7.345 10.057 1.00 0.00 H new ATOM 0 HA THR A 20 6.354 -9.642 8.764 1.00 0.00 H new ATOM 0 HB THR A 20 4.668 -9.094 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.615 -7.511 12.128 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.024 -9.825 12.465 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.464 -10.755 11.012 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.517 -9.437 11.578 1.00 0.00 H new ATOM 280 N GLY A 21 5.972 -6.695 7.825 1.00 0.00 N ATOM 281 CA GLY A 21 5.258 -5.814 6.917 1.00 0.00 C ATOM 282 C GLY A 21 5.600 -6.133 5.460 1.00 0.00 C ATOM 283 O GLY A 21 6.214 -7.160 5.173 1.00 0.00 O ATOM 0 H GLY A 21 6.902 -6.371 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.184 -5.918 7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.513 -4.777 7.135 1.00 0.00 H new ATOM 287 N ILE A 22 5.189 -5.233 4.579 1.00 0.00 N ATOM 288 CA ILE A 22 5.445 -5.405 3.159 1.00 0.00 C ATOM 289 C ILE A 22 6.927 -5.151 2.877 1.00 0.00 C ATOM 290 O ILE A 22 7.692 -4.843 3.790 1.00 0.00 O ATOM 291 CB ILE A 22 4.502 -4.527 2.334 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.293 -5.109 0.935 1.00 0.00 C ATOM 293 CG2 ILE A 22 5.003 -3.082 2.285 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.805 -5.187 0.590 1.00 0.00 C ATOM 0 H ILE A 22 4.681 -4.382 4.821 1.00 0.00 H new ATOM 0 HA ILE A 22 5.234 -6.431 2.856 1.00 0.00 H new ATOM 0 HB ILE A 22 3.529 -4.515 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.808 -4.491 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.735 -6.104 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.315 -2.478 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.058 -2.681 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.993 -3.055 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.685 -5.604 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.297 -5.825 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.372 -4.187 0.621 1.00 0.00 H new ATOM 306 N ARG A 23 7.288 -5.289 1.610 1.00 0.00 N ATOM 307 CA ARG A 23 8.665 -5.078 1.197 1.00 0.00 C ATOM 308 C ARG A 23 8.716 -4.613 -0.260 1.00 0.00 C ATOM 309 O ARG A 23 8.748 -5.434 -1.176 1.00 0.00 O ATOM 310 CB ARG A 23 9.487 -6.359 1.346 1.00 0.00 C ATOM 311 CG ARG A 23 9.605 -6.767 2.816 1.00 0.00 C ATOM 312 CD ARG A 23 10.900 -7.543 3.068 1.00 0.00 C ATOM 313 NE ARG A 23 10.623 -8.996 3.087 1.00 0.00 N ATOM 314 CZ ARG A 23 10.581 -9.768 1.993 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.798 -9.230 0.785 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.323 -11.078 2.106 1.00 0.00 N ATOM 0 H ARG A 23 6.651 -5.544 0.856 1.00 0.00 H new ATOM 0 HA ARG A 23 9.091 -4.310 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.020 -7.163 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.481 -6.208 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.581 -5.878 3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.749 -7.380 3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.629 -7.313 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.339 -7.236 4.017 1.00 0.00 H new ATOM 0 HE ARG A 23 10.453 -9.438 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.995 -8.233 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.766 -9.818 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.158 -11.488 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.291 -11.665 1.273 1.00 0.00 H new ATOM 330 N PRO A 24 8.724 -3.265 -0.434 1.00 0.00 N ATOM 331 CA PRO A 24 8.771 -2.681 -1.764 1.00 0.00 C ATOM 332 C PRO A 24 10.173 -2.801 -2.365 1.00 0.00 C ATOM 333 O PRO A 24 10.969 -1.867 -2.284 1.00 0.00 O ATOM 334 CB PRO A 24 8.326 -1.240 -1.577 1.00 0.00 C ATOM 335 CG PRO A 24 8.493 -0.940 -0.097 1.00 0.00 C ATOM 336 CD PRO A 24 8.687 -2.263 0.627 1.00 0.00 C ATOM 0 HA PRO A 24 8.122 -3.195 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.929 -0.564 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.290 -1.108 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.350 -0.286 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.617 -0.419 0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.610 -2.266 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.872 -2.455 1.325 1.00 0.00 H new ATOM 529 N THR A 37 8.116 0.672 -4.097 1.00 0.00 N ATOM 530 CA THR A 37 6.933 0.126 -4.741 1.00 0.00 C ATOM 531 C THR A 37 6.881 -1.392 -4.560 1.00 0.00 C ATOM 532 O THR A 37 7.913 -2.061 -4.598 1.00 0.00 O ATOM 533 CB THR A 37 6.949 0.563 -6.208 1.00 0.00 C ATOM 534 OG1 THR A 37 8.296 0.348 -6.620 1.00 0.00 O ATOM 535 CG2 THR A 37 6.746 2.070 -6.371 1.00 0.00 C ATOM 0 HA THR A 37 6.021 0.508 -4.283 1.00 0.00 H new ATOM 0 HB THR A 37 6.171 0.030 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.881 0.338 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.766 2.327 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.784 2.356 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.544 2.603 -5.853 1.00 0.00 H new ATOM 543 N PHE A 38 5.670 -1.892 -4.368 1.00 0.00 N ATOM 544 CA PHE A 38 5.470 -3.319 -4.181 1.00 0.00 C ATOM 545 C PHE A 38 4.408 -3.855 -5.144 1.00 0.00 C ATOM 546 O PHE A 38 3.306 -3.314 -5.223 1.00 0.00 O ATOM 547 CB PHE A 38 4.984 -3.518 -2.744 1.00 0.00 C ATOM 548 CG PHE A 38 3.767 -2.669 -2.375 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.512 -3.147 -2.593 1.00 0.00 C ATOM 550 CD2 PHE A 38 3.938 -1.435 -1.829 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.382 -2.358 -2.251 1.00 0.00 C ATOM 552 CE2 PHE A 38 2.808 -0.646 -1.486 1.00 0.00 C ATOM 553 CZ PHE A 38 1.554 -1.125 -1.705 1.00 0.00 C ATOM 0 H PHE A 38 4.816 -1.334 -4.338 1.00 0.00 H new ATOM 0 HA PHE A 38 6.400 -3.853 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.738 -4.570 -2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.799 -3.282 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.375 -4.127 -3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.934 -1.055 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.386 -2.737 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.944 0.333 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.694 -0.525 -1.445 1.00 0.00 H new ATOM 563 N LEU A 39 4.777 -4.912 -5.853 1.00 0.00 N ATOM 564 CA LEU A 39 3.871 -5.527 -6.807 1.00 0.00 C ATOM 565 C LEU A 39 2.460 -5.561 -6.215 1.00 0.00 C ATOM 566 O LEU A 39 2.296 -5.640 -4.999 1.00 0.00 O ATOM 567 CB LEU A 39 4.393 -6.900 -7.234 1.00 0.00 C ATOM 568 CG LEU A 39 5.841 -6.945 -7.724 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.110 -8.221 -8.525 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.190 -5.685 -8.519 1.00 0.00 C ATOM 0 H LEU A 39 5.692 -5.358 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 39 3.819 -4.934 -7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.295 -7.582 -6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.750 -7.280 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 39 6.496 -6.968 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.147 -8.228 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.927 -9.091 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.448 -8.254 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.225 -5.742 -8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.531 -5.606 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.063 -4.808 -7.885 1.00 0.00 H new ATOM 582 N GLY A 40 1.479 -5.501 -7.103 1.00 0.00 N ATOM 583 CA GLY A 40 0.088 -5.524 -6.684 1.00 0.00 C ATOM 584 C GLY A 40 -0.279 -6.880 -6.077 1.00 0.00 C ATOM 585 O GLY A 40 -1.101 -6.953 -5.165 1.00 0.00 O ATOM 0 H GLY A 40 1.620 -5.436 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.089 -4.735 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.556 -5.318 -7.538 1.00 0.00 H new ATOM 589 N SER A 41 0.349 -7.919 -6.607 1.00 0.00 N ATOM 590 CA SER A 41 0.098 -9.268 -6.129 1.00 0.00 C ATOM 591 C SER A 41 0.714 -9.454 -4.741 1.00 0.00 C ATOM 592 O SER A 41 0.163 -10.169 -3.904 1.00 0.00 O ATOM 593 CB SER A 41 0.657 -10.309 -7.101 1.00 0.00 C ATOM 594 OG SER A 41 -0.021 -11.558 -6.994 1.00 0.00 O ATOM 0 H SER A 41 1.031 -7.854 -7.363 1.00 0.00 H new ATOM 0 HA SER A 41 -0.980 -9.413 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.570 -9.936 -8.121 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.719 -10.455 -6.904 1.00 0.00 H new ATOM 0 HG SER A 41 -0.966 -11.401 -6.787 1.00 0.00 H new ATOM 600 N SER A 42 1.847 -8.797 -4.538 1.00 0.00 N ATOM 601 CA SER A 42 2.543 -8.881 -3.265 1.00 0.00 C ATOM 602 C SER A 42 1.611 -8.451 -2.130 1.00 0.00 C ATOM 603 O SER A 42 1.473 -9.159 -1.134 1.00 0.00 O ATOM 604 CB SER A 42 3.806 -8.019 -3.271 1.00 0.00 C ATOM 605 OG SER A 42 4.819 -8.550 -2.420 1.00 0.00 O ATOM 0 H SER A 42 2.300 -8.204 -5.234 1.00 0.00 H new ATOM 0 HA SER A 42 2.844 -9.917 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.190 -7.945 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.556 -7.008 -2.950 1.00 0.00 H new ATOM 0 HG SER A 42 5.610 -7.972 -2.453 1.00 0.00 H new ATOM 611 N LEU A 43 0.997 -7.292 -2.319 1.00 0.00 N ATOM 612 CA LEU A 43 0.083 -6.759 -1.323 1.00 0.00 C ATOM 613 C LEU A 43 -1.039 -7.769 -1.074 1.00 0.00 C ATOM 614 O LEU A 43 -1.362 -8.073 0.073 1.00 0.00 O ATOM 615 CB LEU A 43 -0.418 -5.375 -1.742 1.00 0.00 C ATOM 616 CG LEU A 43 -1.571 -4.801 -0.917 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.321 -4.989 0.580 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.826 -3.336 -1.276 1.00 0.00 C ATOM 0 H LEU A 43 1.114 -6.708 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 43 0.598 -6.613 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.419 -4.678 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.733 -5.425 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.476 -5.355 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.156 -4.572 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.228 -6.052 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.401 -4.477 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.651 -2.952 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.928 -2.751 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.081 -3.259 -2.333 1.00 0.00 H new ATOM 630 N VAL A 44 -1.602 -8.262 -2.167 1.00 0.00 N ATOM 631 CA VAL A 44 -2.680 -9.231 -2.082 1.00 0.00 C ATOM 632 C VAL A 44 -2.238 -10.404 -1.205 1.00 0.00 C ATOM 633 O VAL A 44 -2.749 -10.586 -0.101 1.00 0.00 O ATOM 634 CB VAL A 44 -3.108 -9.663 -3.486 1.00 0.00 C ATOM 635 CG1 VAL A 44 -4.033 -10.881 -3.427 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.772 -8.507 -4.237 1.00 0.00 C ATOM 0 H VAL A 44 -1.331 -8.008 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.557 -8.786 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.211 -9.949 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.322 -11.167 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.512 -11.711 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.925 -10.633 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.067 -8.841 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.654 -8.176 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.069 -7.679 -4.326 1.00 0.00 H new ATOM 646 N ASP A 45 -1.292 -11.170 -1.729 1.00 0.00 N ATOM 647 CA ASP A 45 -0.774 -12.320 -1.007 1.00 0.00 C ATOM 648 C ASP A 45 -0.407 -11.900 0.418 1.00 0.00 C ATOM 649 O ASP A 45 -0.562 -12.678 1.357 1.00 0.00 O ATOM 650 CB ASP A 45 0.486 -12.869 -1.677 1.00 0.00 C ATOM 651 CG ASP A 45 0.749 -14.357 -1.439 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.663 -14.768 -0.262 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.031 -15.051 -2.440 1.00 0.00 O ATOM 0 H ASP A 45 -0.871 -11.017 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.545 -13.090 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.413 -12.696 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.346 -12.302 -1.320 1.00 0.00 H new ATOM 658 N TRP A 46 0.072 -10.670 0.533 1.00 0.00 N ATOM 659 CA TRP A 46 0.462 -10.137 1.827 1.00 0.00 C ATOM 660 C TRP A 46 -0.792 -10.042 2.697 1.00 0.00 C ATOM 661 O TRP A 46 -0.896 -10.720 3.719 1.00 0.00 O ATOM 662 CB TRP A 46 1.185 -8.798 1.673 1.00 0.00 C ATOM 663 CG TRP A 46 1.721 -8.225 2.987 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.914 -8.444 3.557 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.029 -7.324 3.877 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.041 -7.752 4.744 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.859 -7.050 4.945 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.255 -6.759 3.783 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.496 -6.204 6.001 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.602 -5.916 4.845 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.222 -5.630 5.928 1.00 0.00 C ATOM 0 H TRP A 46 0.199 -10.027 -0.249 1.00 0.00 H new ATOM 0 HA TRP A 46 1.176 -10.799 2.317 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.015 -8.923 0.978 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.501 -8.077 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.679 -9.082 3.140 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.853 -7.755 5.361 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.921 -6.960 2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.163 -6.006 6.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.578 -5.455 4.822 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.120 -4.968 6.709 1.00 0.00 H new ATOM 682 N LEU A 47 -1.714 -9.197 2.261 1.00 0.00 N ATOM 683 CA LEU A 47 -2.958 -9.005 2.987 1.00 0.00 C ATOM 684 C LEU A 47 -3.451 -10.355 3.510 1.00 0.00 C ATOM 685 O LEU A 47 -3.761 -10.491 4.693 1.00 0.00 O ATOM 686 CB LEU A 47 -3.980 -8.272 2.116 1.00 0.00 C ATOM 687 CG LEU A 47 -3.894 -6.745 2.121 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.738 -6.144 0.996 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.277 -6.179 3.490 1.00 0.00 C ATOM 0 H LEU A 47 -1.625 -8.637 1.413 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.798 -8.365 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.867 -8.619 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.979 -8.561 2.442 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.859 -6.461 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.659 -5.057 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.377 -6.511 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.780 -6.435 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.208 -5.091 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.299 -6.472 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.598 -6.570 4.248 1.00 0.00 H new ATOM 701 N ILE A 48 -3.509 -11.320 2.604 1.00 0.00 N ATOM 702 CA ILE A 48 -3.960 -12.655 2.959 1.00 0.00 C ATOM 703 C ILE A 48 -3.053 -13.220 4.054 1.00 0.00 C ATOM 704 O ILE A 48 -3.525 -13.585 5.129 1.00 0.00 O ATOM 705 CB ILE A 48 -4.047 -13.540 1.714 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.952 -12.909 0.655 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.493 -14.957 2.079 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.758 -13.584 -0.705 1.00 0.00 C ATOM 0 H ILE A 48 -3.251 -11.204 1.624 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.970 -12.620 3.368 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.050 -13.618 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.994 -12.996 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.733 -11.845 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.547 -15.565 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.775 -15.397 2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.475 -14.919 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.413 -13.116 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.721 -13.474 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.002 -14.643 -0.624 1.00 0.00 H new ATOM 720 N SER A 49 -1.766 -13.274 3.742 1.00 0.00 N ATOM 721 CA SER A 49 -0.788 -13.789 4.686 1.00 0.00 C ATOM 722 C SER A 49 -0.901 -13.041 6.016 1.00 0.00 C ATOM 723 O SER A 49 -0.596 -13.594 7.071 1.00 0.00 O ATOM 724 CB SER A 49 0.631 -13.670 4.128 1.00 0.00 C ATOM 725 OG SER A 49 1.619 -13.893 5.131 1.00 0.00 O ATOM 0 H SER A 49 -1.378 -12.970 2.849 1.00 0.00 H new ATOM 0 HA SER A 49 -0.996 -14.846 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.765 -14.390 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.769 -12.678 3.697 1.00 0.00 H new ATOM 0 HG SER A 49 2.512 -13.810 4.735 1.00 0.00 H new ATOM 731 N SER A 50 -1.340 -11.794 5.922 1.00 0.00 N ATOM 732 CA SER A 50 -1.496 -10.965 7.105 1.00 0.00 C ATOM 733 C SER A 50 -2.824 -11.284 7.796 1.00 0.00 C ATOM 734 O SER A 50 -3.195 -10.628 8.768 1.00 0.00 O ATOM 735 CB SER A 50 -1.427 -9.479 6.748 1.00 0.00 C ATOM 736 OG SER A 50 -0.209 -8.881 7.183 1.00 0.00 O ATOM 0 H SER A 50 -1.592 -11.338 5.045 1.00 0.00 H new ATOM 0 HA SER A 50 -0.676 -11.186 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.524 -9.361 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.269 -8.958 7.203 1.00 0.00 H new ATOM 0 HG SER A 50 -0.080 -8.027 6.720 1.00 0.00 H new ATOM 742 N ASN A 51 -3.502 -12.291 7.267 1.00 0.00 N ATOM 743 CA ASN A 51 -4.780 -12.705 7.820 1.00 0.00 C ATOM 744 C ASN A 51 -5.784 -11.558 7.688 1.00 0.00 C ATOM 745 O ASN A 51 -6.774 -11.508 8.416 1.00 0.00 O ATOM 746 CB ASN A 51 -4.651 -13.052 9.305 1.00 0.00 C ATOM 747 CG ASN A 51 -5.919 -13.736 9.821 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.612 -14.438 9.103 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.181 -13.493 11.102 1.00 0.00 N ATOM 0 H ASN A 51 -3.190 -12.833 6.461 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.115 -13.585 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.793 -13.707 9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.464 -12.145 9.879 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.005 -13.904 11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.558 -12.895 11.645 1.00 0.00 H new ATOM 756 N PHE A 52 -5.493 -10.664 6.754 1.00 0.00 N ATOM 757 CA PHE A 52 -6.358 -9.521 6.518 1.00 0.00 C ATOM 758 C PHE A 52 -7.375 -9.822 5.415 1.00 0.00 C ATOM 759 O PHE A 52 -8.361 -9.102 5.262 1.00 0.00 O ATOM 760 CB PHE A 52 -5.460 -8.367 6.066 1.00 0.00 C ATOM 761 CG PHE A 52 -4.467 -7.898 7.131 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.534 -8.401 8.392 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.517 -6.978 6.816 1.00 0.00 C ATOM 764 CE1 PHE A 52 -3.612 -7.966 9.381 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.595 -6.542 7.804 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.662 -7.045 9.066 1.00 0.00 C ATOM 0 H PHE A 52 -4.671 -10.708 6.152 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.909 -9.277 7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.907 -8.676 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.087 -7.525 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.289 -9.132 8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.464 -6.579 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.665 -8.366 10.383 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.841 -5.811 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.961 -6.713 9.818 1.00 0.00 H new ATOM 776 N ALA A 53 -7.101 -10.886 4.676 1.00 0.00 N ATOM 777 CA ALA A 53 -7.980 -11.291 3.592 1.00 0.00 C ATOM 778 C ALA A 53 -8.180 -12.807 3.642 1.00 0.00 C ATOM 779 O ALA A 53 -7.364 -13.526 4.218 1.00 0.00 O ATOM 780 CB ALA A 53 -7.395 -10.824 2.258 1.00 0.00 C ATOM 0 H ALA A 53 -6.283 -11.481 4.806 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.960 -10.826 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.055 -11.128 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.301 -9.738 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.412 -11.273 2.115 1.00 0.00 H new ATOM 786 N ALA A 54 -9.269 -13.249 3.031 1.00 0.00 N ATOM 787 CA ALA A 54 -9.586 -14.667 2.999 1.00 0.00 C ATOM 788 C ALA A 54 -9.141 -15.254 1.658 1.00 0.00 C ATOM 789 O ALA A 54 -8.673 -16.390 1.598 1.00 0.00 O ATOM 790 CB ALA A 54 -11.082 -14.862 3.253 1.00 0.00 C ATOM 0 H ALA A 54 -9.943 -12.650 2.554 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.050 -15.198 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.320 -15.926 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.341 -14.454 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.652 -14.345 2.481 1.00 0.00 H new ATOM 796 N SER A 55 -9.302 -14.453 0.615 1.00 0.00 N ATOM 797 CA SER A 55 -8.922 -14.880 -0.722 1.00 0.00 C ATOM 798 C SER A 55 -8.318 -13.705 -1.494 1.00 0.00 C ATOM 799 O SER A 55 -8.550 -12.547 -1.150 1.00 0.00 O ATOM 800 CB SER A 55 -10.122 -15.451 -1.479 1.00 0.00 C ATOM 801 OG SER A 55 -9.788 -16.639 -2.191 1.00 0.00 O ATOM 0 H SER A 55 -9.690 -13.511 0.668 1.00 0.00 H new ATOM 0 HA SER A 55 -8.175 -15.669 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.927 -15.664 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.499 -14.704 -2.177 1.00 0.00 H new ATOM 0 HG SER A 55 -10.581 -16.973 -2.660 1.00 0.00 H new ATOM 807 N ARG A 56 -7.554 -14.045 -2.522 1.00 0.00 N ATOM 808 CA ARG A 56 -6.915 -13.033 -3.345 1.00 0.00 C ATOM 809 C ARG A 56 -7.854 -11.842 -3.549 1.00 0.00 C ATOM 810 O ARG A 56 -7.411 -10.695 -3.577 1.00 0.00 O ATOM 811 CB ARG A 56 -6.520 -13.601 -4.710 1.00 0.00 C ATOM 812 CG ARG A 56 -5.011 -13.840 -4.789 1.00 0.00 C ATOM 813 CD ARG A 56 -4.702 -15.318 -5.035 1.00 0.00 C ATOM 814 NE ARG A 56 -4.657 -16.047 -3.747 1.00 0.00 N ATOM 815 CZ ARG A 56 -4.397 -17.357 -3.634 1.00 0.00 C ATOM 816 NH1 ARG A 56 -4.157 -18.089 -4.730 1.00 0.00 N ATOM 817 NH2 ARG A 56 -4.377 -17.934 -2.425 1.00 0.00 N ATOM 0 H ARG A 56 -7.363 -15.007 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.014 -12.705 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.050 -14.537 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.824 -12.911 -5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.585 -13.237 -5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.539 -13.516 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.462 -15.754 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.748 -15.417 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.835 -15.519 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.172 -17.649 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.959 -19.086 -4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.560 -17.376 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.179 -18.931 -2.339 1.00 0.00 H new ATOM 831 N LEU A 57 -9.134 -12.156 -3.685 1.00 0.00 N ATOM 832 CA LEU A 57 -10.140 -11.127 -3.885 1.00 0.00 C ATOM 833 C LEU A 57 -10.114 -10.158 -2.702 1.00 0.00 C ATOM 834 O LEU A 57 -9.745 -8.995 -2.855 1.00 0.00 O ATOM 835 CB LEU A 57 -11.511 -11.759 -4.133 1.00 0.00 C ATOM 836 CG LEU A 57 -12.408 -11.040 -5.143 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.082 -9.822 -4.509 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.625 -10.670 -6.405 1.00 0.00 C ATOM 0 H LEU A 57 -9.497 -13.109 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.917 -10.545 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.361 -12.783 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.041 -11.815 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.200 -11.725 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.714 -9.330 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.693 -10.142 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.320 -9.125 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.285 -10.160 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.798 -10.011 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.233 -11.575 -6.868 1.00 0.00 H new ATOM 850 N GLU A 58 -10.511 -10.673 -1.547 1.00 0.00 N ATOM 851 CA GLU A 58 -10.539 -9.868 -0.338 1.00 0.00 C ATOM 852 C GLU A 58 -9.280 -9.002 -0.248 1.00 0.00 C ATOM 853 O GLU A 58 -9.355 -7.826 0.104 1.00 0.00 O ATOM 854 CB GLU A 58 -10.688 -10.749 0.904 1.00 0.00 C ATOM 855 CG GLU A 58 -12.102 -11.326 1.000 1.00 0.00 C ATOM 856 CD GLU A 58 -13.148 -10.284 0.598 1.00 0.00 C ATOM 857 OE1 GLU A 58 -13.320 -9.323 1.379 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.751 -10.473 -0.480 1.00 0.00 O ATOM 0 H GLU A 58 -10.816 -11.638 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.407 -9.210 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.962 -11.561 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.468 -10.165 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.187 -12.200 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.293 -11.663 2.019 1.00 0.00 H new ATOM 865 N ALA A 59 -8.153 -9.618 -0.573 1.00 0.00 N ATOM 866 CA ALA A 59 -6.880 -8.918 -0.534 1.00 0.00 C ATOM 867 C ALA A 59 -6.892 -7.788 -1.564 1.00 0.00 C ATOM 868 O ALA A 59 -6.431 -6.682 -1.284 1.00 0.00 O ATOM 869 CB ALA A 59 -5.743 -9.913 -0.773 1.00 0.00 C ATOM 0 H ALA A 59 -8.095 -10.594 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.719 -8.468 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.788 -9.388 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.760 -10.678 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.869 -10.382 -1.749 1.00 0.00 H new ATOM 875 N VAL A 60 -7.425 -8.103 -2.736 1.00 0.00 N ATOM 876 CA VAL A 60 -7.503 -7.128 -3.810 1.00 0.00 C ATOM 877 C VAL A 60 -8.340 -5.933 -3.347 1.00 0.00 C ATOM 878 O VAL A 60 -8.003 -4.786 -3.637 1.00 0.00 O ATOM 879 CB VAL A 60 -8.052 -7.787 -5.077 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.505 -6.735 -6.090 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.020 -8.733 -5.693 1.00 0.00 C ATOM 0 H VAL A 60 -7.807 -9.021 -2.965 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.510 -6.754 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.924 -8.378 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.891 -7.230 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.289 -6.119 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.659 -6.105 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.435 -9.188 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.122 -8.173 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.767 -9.513 -4.975 1.00 0.00 H new ATOM 891 N THR A 61 -9.414 -6.243 -2.636 1.00 0.00 N ATOM 892 CA THR A 61 -10.301 -5.209 -2.131 1.00 0.00 C ATOM 893 C THR A 61 -9.652 -4.476 -0.956 1.00 0.00 C ATOM 894 O THR A 61 -9.754 -3.255 -0.848 1.00 0.00 O ATOM 895 CB THR A 61 -11.637 -5.865 -1.775 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.613 -4.995 -2.342 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.928 -5.823 -0.273 1.00 0.00 C ATOM 0 H THR A 61 -9.690 -7.196 -2.398 1.00 0.00 H new ATOM 0 HA THR A 61 -10.488 -4.445 -2.886 1.00 0.00 H new ATOM 0 HB THR A 61 -11.635 -6.900 -2.116 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.510 -5.346 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.887 -6.301 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.141 -6.351 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.964 -4.786 0.062 1.00 0.00 H new ATOM 905 N LEU A 62 -8.997 -5.253 -0.105 1.00 0.00 N ATOM 906 CA LEU A 62 -8.331 -4.693 1.058 1.00 0.00 C ATOM 907 C LEU A 62 -7.247 -3.716 0.599 1.00 0.00 C ATOM 908 O LEU A 62 -6.920 -2.766 1.309 1.00 0.00 O ATOM 909 CB LEU A 62 -7.809 -5.808 1.966 1.00 0.00 C ATOM 910 CG LEU A 62 -8.620 -6.076 3.235 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.172 -7.503 3.243 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.794 -5.773 4.487 1.00 0.00 C ATOM 0 H LEU A 62 -8.914 -6.265 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.037 -4.125 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.764 -6.730 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.787 -5.564 2.257 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.476 -5.401 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.744 -7.667 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.819 -7.648 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.346 -8.213 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.394 -5.972 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.906 -6.406 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.493 -4.725 4.479 1.00 0.00 H new ATOM 924 N ALA A 63 -6.719 -3.982 -0.587 1.00 0.00 N ATOM 925 CA ALA A 63 -5.679 -3.139 -1.150 1.00 0.00 C ATOM 926 C ALA A 63 -6.268 -1.769 -1.493 1.00 0.00 C ATOM 927 O ALA A 63 -5.830 -0.750 -0.961 1.00 0.00 O ATOM 928 CB ALA A 63 -5.064 -3.830 -2.369 1.00 0.00 C ATOM 0 H ALA A 63 -6.993 -4.770 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.879 -2.983 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.284 -3.197 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.633 -4.785 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.837 -4.002 -3.118 1.00 0.00 H new ATOM 934 N SER A 64 -7.253 -1.789 -2.379 1.00 0.00 N ATOM 935 CA SER A 64 -7.907 -0.562 -2.798 1.00 0.00 C ATOM 936 C SER A 64 -8.373 0.228 -1.574 1.00 0.00 C ATOM 937 O SER A 64 -8.372 1.458 -1.586 1.00 0.00 O ATOM 938 CB SER A 64 -9.091 -0.856 -3.722 1.00 0.00 C ATOM 939 OG SER A 64 -10.294 -1.081 -2.992 1.00 0.00 O ATOM 0 H SER A 64 -7.614 -2.636 -2.818 1.00 0.00 H new ATOM 0 HA SER A 64 -7.186 0.036 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.233 -0.020 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.867 -1.732 -4.331 1.00 0.00 H new ATOM 0 HG SER A 64 -10.135 -1.756 -2.300 1.00 0.00 H new ATOM 945 N MET A 65 -8.760 -0.511 -0.545 1.00 0.00 N ATOM 946 CA MET A 65 -9.228 0.105 0.686 1.00 0.00 C ATOM 947 C MET A 65 -8.128 0.952 1.327 1.00 0.00 C ATOM 948 O MET A 65 -8.403 2.012 1.888 1.00 0.00 O ATOM 949 CB MET A 65 -9.671 -0.984 1.665 1.00 0.00 C ATOM 950 CG MET A 65 -11.016 -1.583 1.248 1.00 0.00 C ATOM 951 SD MET A 65 -12.184 -1.456 2.592 1.00 0.00 S ATOM 952 CE MET A 65 -11.572 -2.751 3.657 1.00 0.00 C ATOM 0 H MET A 65 -8.759 -1.531 -0.538 1.00 0.00 H new ATOM 0 HA MET A 65 -10.069 0.756 0.448 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.916 -1.769 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.751 -0.565 2.668 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.400 -1.061 0.371 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.886 -2.628 0.966 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.303 -3.558 3.706 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.633 -3.136 3.259 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.405 -2.351 4.657 1.00 0.00 H new ATOM 962 N LEU A 66 -6.905 0.453 1.223 1.00 0.00 N ATOM 963 CA LEU A 66 -5.762 1.151 1.787 1.00 0.00 C ATOM 964 C LEU A 66 -5.456 2.388 0.939 1.00 0.00 C ATOM 965 O LEU A 66 -5.217 3.469 1.475 1.00 0.00 O ATOM 966 CB LEU A 66 -4.573 0.200 1.936 1.00 0.00 C ATOM 967 CG LEU A 66 -4.828 -1.069 2.752 1.00 0.00 C ATOM 968 CD1 LEU A 66 -3.978 -2.232 2.237 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.608 -0.815 4.245 1.00 0.00 C ATOM 0 H LEU A 66 -6.681 -0.426 0.757 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.989 1.501 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.240 -0.093 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.751 0.747 2.399 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.873 -1.353 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.178 -3.122 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.227 -2.431 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.922 -1.973 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.796 -1.733 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.580 -0.493 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.291 -0.037 4.586 1.00 0.00 H new ATOM 981 N MET A 67 -5.474 2.188 -0.371 1.00 0.00 N ATOM 982 CA MET A 67 -5.203 3.273 -1.298 1.00 0.00 C ATOM 983 C MET A 67 -6.189 4.425 -1.098 1.00 0.00 C ATOM 984 O MET A 67 -5.821 5.592 -1.222 1.00 0.00 O ATOM 985 CB MET A 67 -5.306 2.756 -2.734 1.00 0.00 C ATOM 986 CG MET A 67 -3.990 2.116 -3.182 1.00 0.00 C ATOM 987 SD MET A 67 -3.785 2.313 -4.944 1.00 0.00 S ATOM 988 CE MET A 67 -5.416 1.850 -5.500 1.00 0.00 C ATOM 0 H MET A 67 -5.672 1.290 -0.812 1.00 0.00 H new ATOM 0 HA MET A 67 -4.196 3.645 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.112 2.026 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.561 3.578 -3.403 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.154 2.578 -2.656 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.984 1.057 -2.923 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.364 1.506 -6.533 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.802 1.049 -4.869 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.080 2.712 -5.438 1.00 0.00 H new ATOM 998 N GLU A 68 -7.425 4.057 -0.791 1.00 0.00 N ATOM 999 CA GLU A 68 -8.468 5.045 -0.573 1.00 0.00 C ATOM 1000 C GLU A 68 -8.189 5.838 0.706 1.00 0.00 C ATOM 1001 O GLU A 68 -8.291 7.063 0.716 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.846 4.385 -0.518 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.572 4.520 -1.858 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.852 5.345 -1.708 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.549 5.131 -0.692 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -12.105 6.170 -2.612 1.00 0.00 O ATOM 0 H GLU A 68 -7.727 3.088 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.467 5.737 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.738 3.331 -0.263 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.442 4.844 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.913 4.993 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.816 3.531 -2.245 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.841 5.105 1.754 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.546 5.724 3.035 1.00 0.00 C ATOM 1015 C GLU A 69 -6.363 6.684 2.901 1.00 0.00 C ATOM 1016 O GLU A 69 -6.085 7.465 3.811 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.275 4.666 4.106 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.566 4.270 4.825 1.00 0.00 C ATOM 1019 CD GLU A 69 -8.684 4.986 6.173 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -7.802 4.742 7.024 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -9.654 5.761 6.321 1.00 0.00 O ATOM 0 H GLU A 69 -7.757 4.089 1.742 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.419 6.296 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.826 3.785 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.556 5.051 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.425 4.518 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.585 3.191 4.979 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.696 6.596 1.759 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.549 7.447 1.494 1.00 0.00 C ATOM 1030 C ASN A 70 -3.291 6.794 2.071 1.00 0.00 C ATOM 1031 O ASN A 70 -2.312 7.477 2.365 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.715 8.817 2.155 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.076 9.917 1.305 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -2.866 10.061 1.238 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -4.952 10.682 0.661 1.00 0.00 N ATOM 0 H ASN A 70 -5.929 5.948 1.007 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.466 7.575 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.775 9.031 2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.258 8.805 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.624 11.444 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.952 10.507 0.761 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.359 5.479 2.215 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.237 4.726 2.751 1.00 0.00 C ATOM 1044 C PHE A 71 -1.293 4.279 1.634 1.00 0.00 C ATOM 1045 O PHE A 71 -0.092 4.128 1.855 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.818 3.488 3.438 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.580 3.792 4.729 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -3.063 4.664 5.635 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.776 3.190 4.970 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.771 4.947 6.833 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.484 3.473 6.168 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.967 4.345 7.074 1.00 0.00 C ATOM 0 H PHE A 71 -4.173 4.915 1.970 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.668 5.347 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.488 2.981 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.007 2.795 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.113 5.142 5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.187 2.497 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.360 5.640 7.552 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.434 2.995 6.360 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.506 4.560 7.985 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.870 4.080 0.458 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.095 3.654 -0.694 1.00 0.00 C ATOM 1064 C LEU A 72 -1.656 4.314 -1.954 1.00 0.00 C ATOM 1065 O LEU A 72 -2.694 4.973 -1.904 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.045 2.126 -0.771 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.147 1.380 -0.017 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.765 0.287 -0.890 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.626 0.827 1.311 1.00 0.00 C ATOM 0 H LEU A 72 -2.866 4.206 0.278 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.059 3.980 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.088 1.833 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.081 1.794 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.940 2.090 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.546 -0.228 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.196 0.736 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.994 -0.427 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.430 0.301 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.805 0.136 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.272 1.649 1.934 1.00 0.00 H new ATOM 1081 N ARG A 73 -0.946 4.115 -3.055 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.361 4.684 -4.326 1.00 0.00 C ATOM 1083 C ARG A 73 -0.814 3.848 -5.485 1.00 0.00 C ATOM 1084 O ARG A 73 0.193 3.157 -5.336 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.871 6.126 -4.471 1.00 0.00 C ATOM 1086 CG ARG A 73 0.627 6.228 -4.174 1.00 0.00 C ATOM 1087 CD ARG A 73 0.870 6.776 -2.766 1.00 0.00 C ATOM 1088 NE ARG A 73 2.143 7.531 -2.730 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.352 8.682 -3.382 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.375 9.218 -4.126 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.539 9.297 -3.291 1.00 0.00 N ATOM 0 H ARG A 73 -0.086 3.568 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.451 4.679 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.070 6.482 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.425 6.773 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.088 5.245 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.104 6.877 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.045 7.424 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.903 5.956 -2.048 1.00 0.00 H new ATOM 0 HE ARG A 73 2.909 7.151 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.472 8.749 -4.196 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.535 10.095 -4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.283 8.888 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.699 10.174 -3.787 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.521 3.940 -6.644 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.117 3.200 -7.827 1.00 0.00 C ATOM 1107 C PRO A 74 0.108 3.841 -8.483 1.00 0.00 C ATOM 1108 O PRO A 74 0.167 5.060 -8.639 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.341 3.201 -8.728 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.228 4.328 -8.226 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.718 4.748 -6.857 1.00 0.00 C ATOM 0 HA PRO A 74 -0.806 2.180 -7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.059 3.360 -9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.861 2.244 -8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.203 5.170 -8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.265 3.998 -8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.487 5.813 -6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.463 4.564 -6.083 1.00 0.00 H new ATOM 1361 N PHE A 92 -8.027 -1.676 -8.169 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.790 -2.366 -7.849 1.00 0.00 C ATOM 1363 C PHE A 92 -6.635 -3.633 -8.693 1.00 0.00 C ATOM 1364 O PHE A 92 -7.605 -4.122 -9.269 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.864 -2.758 -6.372 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.517 -3.151 -5.764 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.620 -2.189 -5.418 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -5.215 -4.463 -5.568 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.369 -2.554 -4.853 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.965 -4.828 -5.004 1.00 0.00 C ATOM 1371 CZ PHE A 92 -3.068 -3.865 -4.658 1.00 0.00 C ATOM 0 HA PHE A 92 -5.939 -1.717 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.277 -1.923 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.558 -3.592 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.859 -1.147 -5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.927 -5.227 -5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.657 -1.790 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.726 -5.870 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.117 -4.142 -4.228 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.406 -4.127 -8.740 1.00 0.00 N ATOM 1382 CA LEU A 93 -5.112 -5.328 -9.504 1.00 0.00 C ATOM 1383 C LEU A 93 -4.287 -6.286 -8.643 1.00 0.00 C ATOM 1384 O LEU A 93 -3.840 -5.922 -7.556 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.445 -4.967 -10.833 1.00 0.00 C ATOM 1386 CG LEU A 93 -5.070 -3.801 -11.602 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -4.030 -3.104 -12.482 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -6.284 -4.265 -12.409 1.00 0.00 C ATOM 0 H LEU A 93 -4.603 -3.718 -8.262 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.034 -5.848 -9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.399 -4.729 -10.639 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.458 -5.848 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.425 -3.066 -10.879 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.500 -2.279 -13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.224 -2.718 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.623 -3.817 -13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.709 -3.417 -12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.976 -5.029 -13.123 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.033 -4.680 -11.734 1.00 0.00 H new ATOM 1400 N ASP A 94 -4.110 -7.493 -9.160 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.347 -8.506 -8.452 1.00 0.00 C ATOM 1402 C ASP A 94 -2.369 -9.173 -9.421 1.00 0.00 C ATOM 1403 O ASP A 94 -2.523 -10.347 -9.755 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.265 -9.592 -7.886 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.551 -10.856 -7.403 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.995 -10.801 -6.285 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.578 -11.848 -8.162 1.00 0.00 O ATOM 0 H ASP A 94 -4.482 -7.792 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.818 -8.018 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.830 -9.172 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.988 -9.872 -8.653 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.385 -8.395 -9.847 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.382 -8.895 -10.771 1.00 0.00 C ATOM 1414 C ASP A 95 1.005 -8.445 -10.305 1.00 0.00 C ATOM 1415 O ASP A 95 1.154 -7.928 -9.199 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.608 -8.344 -12.180 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.852 -9.402 -13.257 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -1.943 -10.011 -13.218 1.00 0.00 O ATOM 1419 OD2 ASP A 95 0.058 -9.580 -14.096 1.00 0.00 O ATOM 0 H ASP A 95 -1.261 -7.421 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.456 -9.982 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.462 -7.668 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.261 -7.751 -12.465 1.00 0.00 H new ATOM 1424 N SER A 96 1.983 -8.660 -11.172 1.00 0.00 N ATOM 1425 CA SER A 96 3.352 -8.283 -10.863 1.00 0.00 C ATOM 1426 C SER A 96 3.715 -6.987 -11.589 1.00 0.00 C ATOM 1427 O SER A 96 4.891 -6.646 -11.707 1.00 0.00 O ATOM 1428 CB SER A 96 4.329 -9.397 -11.244 1.00 0.00 C ATOM 1429 OG SER A 96 4.280 -10.487 -10.328 1.00 0.00 O ATOM 0 H SER A 96 1.855 -9.090 -12.088 1.00 0.00 H new ATOM 0 HA SER A 96 3.428 -8.122 -9.788 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.097 -9.756 -12.247 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.342 -8.996 -11.276 1.00 0.00 H new ATOM 0 HG SER A 96 4.917 -11.178 -10.607 1.00 0.00 H new ATOM 1435 N THR A 97 2.684 -6.299 -12.057 1.00 0.00 N ATOM 1436 CA THR A 97 2.880 -5.048 -12.769 1.00 0.00 C ATOM 1437 C THR A 97 2.198 -3.898 -12.024 1.00 0.00 C ATOM 1438 O THR A 97 2.710 -2.780 -11.998 1.00 0.00 O ATOM 1439 CB THR A 97 2.369 -5.232 -14.199 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.206 -6.042 -14.051 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.311 -6.085 -15.052 1.00 0.00 C ATOM 0 H THR A 97 1.710 -6.585 -11.957 1.00 0.00 H new ATOM 0 HA THR A 97 3.936 -4.782 -12.818 1.00 0.00 H new ATOM 0 HB THR A 97 2.240 -4.256 -14.666 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.809 -6.209 -14.931 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.902 -6.185 -16.057 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.289 -5.606 -15.104 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.414 -7.073 -14.603 1.00 0.00 H new ATOM 1449 N ALA A 98 1.053 -4.213 -11.436 1.00 0.00 N ATOM 1450 CA ALA A 98 0.296 -3.220 -10.693 1.00 0.00 C ATOM 1451 C ALA A 98 1.077 -2.822 -9.439 1.00 0.00 C ATOM 1452 O ALA A 98 0.841 -3.361 -8.359 1.00 0.00 O ATOM 1453 CB ALA A 98 -1.091 -3.777 -10.363 1.00 0.00 C ATOM 0 H ALA A 98 0.631 -5.142 -11.459 1.00 0.00 H new ATOM 0 HA ALA A 98 0.153 -2.320 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.659 -3.032 -9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.616 -4.017 -11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.987 -4.679 -9.761 1.00 0.00 H new ATOM 1459 N LEU A 99 1.992 -1.882 -9.625 1.00 0.00 N ATOM 1460 CA LEU A 99 2.810 -1.406 -8.523 1.00 0.00 C ATOM 1461 C LEU A 99 1.952 -0.548 -7.590 1.00 0.00 C ATOM 1462 O LEU A 99 0.826 -0.190 -7.932 1.00 0.00 O ATOM 1463 CB LEU A 99 4.054 -0.687 -9.050 1.00 0.00 C ATOM 1464 CG LEU A 99 5.300 -1.554 -9.241 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.741 -2.180 -7.917 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.072 -2.608 -10.326 1.00 0.00 C ATOM 0 H LEU A 99 2.185 -1.437 -10.523 1.00 0.00 H new ATOM 0 HA LEU A 99 3.181 -2.245 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.806 -0.227 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.301 0.122 -8.362 1.00 0.00 H new ATOM 0 HG LEU A 99 6.114 -0.913 -9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.629 -2.791 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.971 -1.391 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.938 -2.804 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.972 -3.211 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.239 -3.251 -10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.841 -2.114 -11.270 1.00 0.00 H new ATOM 1478 N TYR A 100 2.518 -0.244 -6.431 1.00 0.00 N ATOM 1479 CA TYR A 100 1.819 0.565 -5.447 1.00 0.00 C ATOM 1480 C TYR A 100 2.784 1.089 -4.382 1.00 0.00 C ATOM 1481 O TYR A 100 3.653 0.355 -3.912 1.00 0.00 O ATOM 1482 CB TYR A 100 0.801 -0.364 -4.783 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.352 -0.781 -5.699 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.324 0.135 -6.044 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.418 -2.073 -6.180 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.409 -0.257 -6.906 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.503 -2.465 -7.042 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.445 -1.537 -7.362 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.470 -1.908 -8.176 1.00 0.00 O ATOM 0 H TYR A 100 3.452 -0.543 -6.152 1.00 0.00 H new ATOM 0 HA TYR A 100 1.351 1.427 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.315 -1.259 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.391 0.132 -3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.271 1.146 -5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.344 -2.790 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.177 0.450 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.567 -3.473 -7.426 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.289 -1.603 -9.090 1.00 0.00 H new ATOM 1499 N THR A 101 2.600 2.353 -4.032 1.00 0.00 N ATOM 1500 CA THR A 101 3.444 2.984 -3.032 1.00 0.00 C ATOM 1501 C THR A 101 2.587 3.617 -1.934 1.00 0.00 C ATOM 1502 O THR A 101 1.388 3.822 -2.118 1.00 0.00 O ATOM 1503 CB THR A 101 4.356 3.984 -3.744 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.298 4.368 -2.746 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.634 5.287 -4.095 1.00 0.00 C ATOM 0 H THR A 101 1.878 2.958 -4.423 1.00 0.00 H new ATOM 0 HA THR A 101 4.074 2.252 -2.527 1.00 0.00 H new ATOM 0 HB THR A 101 4.751 3.531 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.930 5.015 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.326 5.962 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.793 5.071 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.268 5.757 -3.182 1.00 0.00 H new ATOM 1513 N PHE A 102 3.236 3.911 -0.816 1.00 0.00 N ATOM 1514 CA PHE A 102 2.548 4.517 0.311 1.00 0.00 C ATOM 1515 C PHE A 102 2.239 5.990 0.037 1.00 0.00 C ATOM 1516 O PHE A 102 3.107 6.736 -0.415 1.00 0.00 O ATOM 1517 CB PHE A 102 3.489 4.420 1.513 1.00 0.00 C ATOM 1518 CG PHE A 102 3.722 2.992 2.008 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.674 2.133 2.124 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.977 2.580 2.334 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.890 0.807 2.583 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.193 1.254 2.793 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.144 0.395 2.908 1.00 0.00 C ATOM 0 H PHE A 102 4.231 3.741 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 102 1.604 4.003 0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.449 4.862 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.080 5.015 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.677 2.460 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.809 3.262 2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.057 0.125 2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.190 0.927 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.308 -0.614 3.257 1.00 0.00 H new ATOM 1533 N ALA A 103 1.001 6.365 0.323 1.00 0.00 N ATOM 1534 CA ALA A 103 0.567 7.736 0.113 1.00 0.00 C ATOM 1535 C ALA A 103 1.106 8.616 1.242 1.00 0.00 C ATOM 1536 O ALA A 103 1.176 8.183 2.392 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.959 7.779 0.018 1.00 0.00 C ATOM 0 H ALA A 103 0.285 5.744 0.698 1.00 0.00 H new ATOM 0 HA ALA A 103 0.963 8.125 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.285 8.807 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.289 7.162 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.392 7.399 0.943 1.00 0.00 H new