USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 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 18 THR OG1 : rot 32:sc= 0.0533 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 23 MET CE :methyl 146:sc= -0.786 (180deg=-2.87!) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.066 (180deg=-0.325) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc=-0.000632 (180deg=-0.0484) USER MOD Single : A 39 THR OG1 : rot 64:sc= 0.379 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.16) USER MOD Single : A 42 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.46) USER MOD Single : A 44 GLN : amide:sc= 0.456 K(o=0.46,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -109:sc= -3.93! (180deg=-8.28!) USER MOD Single : A 55 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 0.349 (180deg=-0.485) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.00645 (180deg=0.00384) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.844 F(o=-2.1!,f=-0.84) USER MOD Single : A 78 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.5!) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.0502 USER MOD Single : A 82 MET CE :methyl 137:sc= -2.83! (180deg=-6.89!) USER MOD Single : A 84 MET CE :methyl -161:sc= -0.184 (180deg=-0.662) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -2.991 -9.026 -2.795 1.00 0.00 N ATOM 166 CA THR A 18 -3.969 -7.964 -2.628 1.00 0.00 C ATOM 167 C THR A 18 -3.362 -6.600 -2.925 1.00 0.00 C ATOM 168 O THR A 18 -2.329 -6.236 -2.368 1.00 0.00 O ATOM 169 CB THR A 18 -4.546 -7.967 -1.203 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.990 -9.289 -0.873 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.708 -6.994 -1.080 1.00 0.00 C ATOM 0 HA THR A 18 -4.773 -8.153 -3.340 1.00 0.00 H new ATOM 0 HB THR A 18 -3.763 -7.653 -0.513 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.420 -9.947 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.096 -7.017 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.365 -5.986 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.497 -7.280 -1.776 1.00 0.00 H new ATOM 179 N VAL A 19 -4.006 -5.855 -3.813 1.00 0.00 N ATOM 180 CA VAL A 19 -3.572 -4.507 -4.132 1.00 0.00 C ATOM 181 C VAL A 19 -4.773 -3.579 -4.330 1.00 0.00 C ATOM 182 O VAL A 19 -5.707 -3.894 -5.074 1.00 0.00 O ATOM 183 CB VAL A 19 -2.654 -4.487 -5.379 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.357 -5.067 -6.598 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.159 -3.077 -5.661 1.00 0.00 C ATOM 0 H VAL A 19 -4.832 -6.165 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.991 -4.141 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.791 -5.118 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.684 -5.037 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.642 -6.099 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.249 -4.480 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.516 -3.086 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.011 -2.421 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.595 -2.711 -4.803 1.00 0.00 H new ATOM 195 N GLN A 20 -4.763 -2.454 -3.627 1.00 0.00 N ATOM 196 CA GLN A 20 -5.805 -1.446 -3.775 1.00 0.00 C ATOM 197 C GLN A 20 -5.259 -0.212 -4.469 1.00 0.00 C ATOM 198 O GLN A 20 -4.193 0.285 -4.111 1.00 0.00 O ATOM 199 CB GLN A 20 -6.398 -1.056 -2.422 1.00 0.00 C ATOM 200 CG GLN A 20 -7.302 -2.120 -1.829 1.00 0.00 C ATOM 201 CD GLN A 20 -8.018 -1.651 -0.575 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.507 -0.826 0.180 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.213 -2.168 -0.355 1.00 0.00 N ATOM 0 H GLN A 20 -4.042 -2.216 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.597 -1.880 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.586 -0.850 -1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.964 -0.131 -2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.040 -2.419 -2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.709 -3.004 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.601 -2.850 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.748 -1.885 0.466 1.00 0.00 H new ATOM 212 N GLU A 21 -5.986 0.272 -5.466 1.00 0.00 N ATOM 213 CA GLU A 21 -5.596 1.487 -6.167 1.00 0.00 C ATOM 214 C GLU A 21 -6.445 2.657 -5.708 1.00 0.00 C ATOM 215 O GLU A 21 -7.669 2.647 -5.855 1.00 0.00 O ATOM 216 CB GLU A 21 -5.711 1.336 -7.686 1.00 0.00 C ATOM 217 CG GLU A 21 -4.698 0.381 -8.292 1.00 0.00 C ATOM 218 CD GLU A 21 -5.147 -1.060 -8.237 1.00 0.00 C ATOM 219 OE1 GLU A 21 -6.207 -1.376 -8.815 1.00 0.00 O ATOM 220 OE2 GLU A 21 -4.436 -1.887 -7.638 1.00 0.00 O ATOM 0 H GLU A 21 -6.847 -0.156 -5.807 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.550 1.674 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.714 0.988 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.592 2.316 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.517 0.661 -9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.750 0.482 -7.764 1.00 0.00 H new ATOM 227 N ILE A 22 -5.795 3.659 -5.142 1.00 0.00 N ATOM 228 CA ILE A 22 -6.482 4.854 -4.682 1.00 0.00 C ATOM 229 C ILE A 22 -6.140 6.022 -5.593 1.00 0.00 C ATOM 230 O ILE A 22 -5.020 6.107 -6.092 1.00 0.00 O ATOM 231 CB ILE A 22 -6.084 5.222 -3.235 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.006 3.970 -2.351 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.082 6.210 -2.652 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.320 3.224 -2.217 1.00 0.00 C ATOM 0 H ILE A 22 -4.787 3.669 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.552 4.648 -4.705 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.097 5.684 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.257 3.294 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.662 4.260 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.791 6.462 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.095 7.115 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.076 5.762 -2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.180 2.353 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.069 3.882 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.657 2.901 -3.202 1.00 0.00 H new ATOM 246 N MET A 23 -7.102 6.900 -5.828 1.00 0.00 N ATOM 247 CA MET A 23 -6.863 8.095 -6.622 1.00 0.00 C ATOM 248 C MET A 23 -6.660 9.290 -5.702 1.00 0.00 C ATOM 249 O MET A 23 -7.618 9.961 -5.314 1.00 0.00 O ATOM 250 CB MET A 23 -8.040 8.359 -7.558 1.00 0.00 C ATOM 251 CG MET A 23 -8.416 7.185 -8.454 1.00 0.00 C ATOM 252 SD MET A 23 -7.360 7.005 -9.914 1.00 0.00 S ATOM 253 CE MET A 23 -5.901 6.213 -9.239 1.00 0.00 C ATOM 0 H MET A 23 -8.056 6.808 -5.480 1.00 0.00 H new ATOM 0 HA MET A 23 -5.967 7.942 -7.223 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.908 8.634 -6.959 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.801 9.217 -8.187 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.370 6.266 -7.870 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.450 7.305 -8.778 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.480 5.533 -9.980 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.162 6.971 -8.981 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.172 5.652 -8.345 1.00 0.00 H new ATOM 263 N ILE A 24 -5.413 9.547 -5.352 1.00 0.00 N ATOM 264 CA ILE A 24 -5.093 10.610 -4.408 1.00 0.00 C ATOM 265 C ILE A 24 -5.120 11.975 -5.091 1.00 0.00 C ATOM 266 O ILE A 24 -4.484 12.168 -6.126 1.00 0.00 O ATOM 267 CB ILE A 24 -3.706 10.388 -3.761 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.618 8.983 -3.154 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.432 11.446 -2.702 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.705 8.687 -2.146 1.00 0.00 C ATOM 0 H ILE A 24 -4.604 9.037 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.854 10.586 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.946 10.478 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.668 8.247 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.647 8.865 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.451 11.272 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.452 12.434 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.196 11.391 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.578 7.676 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.643 9.400 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.680 8.772 -2.626 1.00 0.00 H new ATOM 282 N PRO A 25 -5.890 12.927 -4.529 1.00 0.00 N ATOM 283 CA PRO A 25 -5.972 14.297 -5.041 1.00 0.00 C ATOM 284 C PRO A 25 -4.603 14.951 -5.213 1.00 0.00 C ATOM 285 O PRO A 25 -3.683 14.668 -4.443 1.00 0.00 O ATOM 286 CB PRO A 25 -6.773 15.035 -3.969 1.00 0.00 C ATOM 287 CG PRO A 25 -7.596 13.983 -3.318 1.00 0.00 C ATOM 288 CD PRO A 25 -6.771 12.725 -3.364 1.00 0.00 C ATOM 0 HA PRO A 25 -6.425 14.322 -6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.115 15.524 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.399 15.812 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.836 14.255 -2.290 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.543 13.848 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.197 12.589 -2.447 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.396 11.840 -3.483 1.00 0.00 H new ATOM 296 N ALA A 26 -4.477 15.819 -6.208 1.00 0.00 N ATOM 297 CA ALA A 26 -3.189 16.417 -6.563 1.00 0.00 C ATOM 298 C ALA A 26 -2.484 17.032 -5.354 1.00 0.00 C ATOM 299 O ALA A 26 -1.355 16.653 -5.025 1.00 0.00 O ATOM 300 CB ALA A 26 -3.375 17.461 -7.653 1.00 0.00 C ATOM 0 H ALA A 26 -5.255 16.129 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.551 15.615 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.409 17.898 -7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.805 16.991 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.045 18.244 -7.297 1.00 0.00 H new ATOM 306 N GLY A 27 -3.170 17.945 -4.676 1.00 0.00 N ATOM 307 CA GLY A 27 -2.577 18.646 -3.549 1.00 0.00 C ATOM 308 C GLY A 27 -2.495 17.785 -2.305 1.00 0.00 C ATOM 309 O GLY A 27 -1.864 18.161 -1.315 1.00 0.00 O ATOM 0 H GLY A 27 -4.131 18.214 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.576 18.982 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.164 19.538 -3.331 1.00 0.00 H new ATOM 313 N LYS A 28 -3.123 16.619 -2.355 1.00 0.00 N ATOM 314 CA LYS A 28 -3.121 15.702 -1.224 1.00 0.00 C ATOM 315 C LYS A 28 -1.978 14.702 -1.340 1.00 0.00 C ATOM 316 O LYS A 28 -1.749 13.893 -0.438 1.00 0.00 O ATOM 317 CB LYS A 28 -4.460 14.969 -1.108 1.00 0.00 C ATOM 318 CG LYS A 28 -5.544 15.775 -0.403 1.00 0.00 C ATOM 319 CD LYS A 28 -5.902 17.033 -1.164 1.00 0.00 C ATOM 320 CE LYS A 28 -6.888 17.898 -0.397 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.325 18.370 0.896 1.00 0.00 N ATOM 0 H LYS A 28 -3.641 16.285 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.975 16.291 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.808 14.707 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.306 14.035 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.435 15.158 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.204 16.041 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.997 17.606 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.330 16.764 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.167 18.758 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.800 17.330 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.909 19.147 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.319 17.586 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.353 18.708 0.748 1.00 0.00 H new ATOM 335 N ALA A 29 -1.250 14.772 -2.450 1.00 0.00 N ATOM 336 CA ALA A 29 -0.094 13.914 -2.663 1.00 0.00 C ATOM 337 C ALA A 29 0.971 14.181 -1.605 1.00 0.00 C ATOM 338 O ALA A 29 1.690 13.277 -1.190 1.00 0.00 O ATOM 339 CB ALA A 29 0.478 14.125 -4.055 1.00 0.00 C ATOM 0 H ALA A 29 -1.442 15.417 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.416 12.876 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.342 13.475 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.281 13.887 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.784 15.165 -4.169 1.00 0.00 H new ATOM 345 N GLY A 30 1.045 15.427 -1.153 1.00 0.00 N ATOM 346 CA GLY A 30 2.005 15.791 -0.129 1.00 0.00 C ATOM 347 C GLY A 30 1.697 15.146 1.209 1.00 0.00 C ATOM 348 O GLY A 30 2.568 15.040 2.065 1.00 0.00 O ATOM 0 H GLY A 30 0.456 16.193 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.004 15.496 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.015 16.875 -0.013 1.00 0.00 H new ATOM 352 N LEU A 31 0.459 14.700 1.384 1.00 0.00 N ATOM 353 CA LEU A 31 0.044 14.085 2.636 1.00 0.00 C ATOM 354 C LEU A 31 0.346 12.589 2.634 1.00 0.00 C ATOM 355 O LEU A 31 0.833 12.046 3.629 1.00 0.00 O ATOM 356 CB LEU A 31 -1.448 14.320 2.880 1.00 0.00 C ATOM 357 CG LEU A 31 -1.869 15.786 2.967 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.354 15.895 3.271 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.053 16.514 4.022 1.00 0.00 C ATOM 0 H LEU A 31 -0.273 14.753 0.676 1.00 0.00 H new ATOM 0 HA LEU A 31 0.610 14.550 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.011 13.844 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.731 13.821 3.807 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.679 16.257 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.637 16.946 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.924 15.409 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.567 15.408 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.367 17.557 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.210 16.043 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.004 16.465 3.762 1.00 0.00 H new ATOM 371 N VAL A 32 0.061 11.929 1.512 1.00 0.00 N ATOM 372 CA VAL A 32 0.319 10.497 1.374 1.00 0.00 C ATOM 373 C VAL A 32 1.816 10.211 1.311 1.00 0.00 C ATOM 374 O VAL A 32 2.287 9.199 1.828 1.00 0.00 O ATOM 375 CB VAL A 32 -0.368 9.895 0.129 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.859 9.715 0.365 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.132 10.765 -1.089 1.00 0.00 C ATOM 0 H VAL A 32 -0.349 12.364 0.685 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.104 10.024 2.260 1.00 0.00 H new ATOM 0 HB VAL A 32 0.073 8.915 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.320 9.290 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.015 9.044 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.313 10.682 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.625 10.321 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.539 11.760 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.938 10.840 -1.281 1.00 0.00 H new ATOM 387 N ILE A 33 2.560 11.105 0.676 1.00 0.00 N ATOM 388 CA ILE A 33 4.004 10.957 0.593 1.00 0.00 C ATOM 389 C ILE A 33 4.643 11.353 1.919 1.00 0.00 C ATOM 390 O ILE A 33 5.605 10.733 2.381 1.00 0.00 O ATOM 391 CB ILE A 33 4.593 11.807 -0.552 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.993 11.368 -1.890 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.110 11.686 -0.588 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.381 12.255 -3.053 1.00 0.00 C ATOM 0 H ILE A 33 2.190 11.935 0.214 1.00 0.00 H new ATOM 0 HA ILE A 33 4.224 9.911 0.381 1.00 0.00 H new ATOM 0 HB ILE A 33 4.339 12.852 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.310 10.347 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.907 11.353 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.504 12.293 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.525 12.034 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.388 10.644 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.918 11.881 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.040 13.273 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.465 12.251 -3.168 1.00 0.00 H new ATOM 406 N GLY A 34 4.097 12.384 2.533 1.00 0.00 N ATOM 407 CA GLY A 34 4.541 12.774 3.845 1.00 0.00 C ATOM 408 C GLY A 34 4.980 14.210 3.897 1.00 0.00 C ATOM 409 O GLY A 34 5.363 14.784 2.878 1.00 0.00 O ATOM 0 H GLY A 34 3.351 12.960 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.734 12.617 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.367 12.133 4.152 1.00 0.00 H new ATOM 413 N LYS A 35 4.949 14.778 5.092 1.00 0.00 N ATOM 414 CA LYS A 35 5.321 16.167 5.299 1.00 0.00 C ATOM 415 C LYS A 35 6.756 16.414 4.840 1.00 0.00 C ATOM 416 O LYS A 35 7.090 17.503 4.368 1.00 0.00 O ATOM 417 CB LYS A 35 5.164 16.528 6.775 1.00 0.00 C ATOM 418 CG LYS A 35 3.771 16.240 7.317 1.00 0.00 C ATOM 419 CD LYS A 35 2.714 17.076 6.615 1.00 0.00 C ATOM 420 CE LYS A 35 1.303 16.635 6.982 1.00 0.00 C ATOM 421 NZ LYS A 35 1.068 16.654 8.452 1.00 0.00 N ATOM 0 H LYS A 35 4.666 14.291 5.942 1.00 0.00 H new ATOM 0 HA LYS A 35 4.662 16.800 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.897 15.971 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.388 17.586 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.542 15.182 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.747 16.445 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.847 18.125 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.849 17.000 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.582 17.290 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.129 15.628 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.058 16.496 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.628 15.903 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.353 17.577 8.837 1.00 0.00 H new ATOM 435 N GLY A 36 7.594 15.390 4.972 1.00 0.00 N ATOM 436 CA GLY A 36 8.957 15.475 4.487 1.00 0.00 C ATOM 437 C GLY A 36 9.314 14.301 3.596 1.00 0.00 C ATOM 438 O GLY A 36 10.484 14.058 3.312 1.00 0.00 O ATOM 0 H GLY A 36 7.351 14.501 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.088 16.404 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.642 15.510 5.334 1.00 0.00 H new ATOM 442 N GLY A 37 8.295 13.567 3.153 1.00 0.00 N ATOM 443 CA GLY A 37 8.522 12.384 2.339 1.00 0.00 C ATOM 444 C GLY A 37 8.806 11.158 3.181 1.00 0.00 C ATOM 445 O GLY A 37 9.056 10.072 2.658 1.00 0.00 O ATOM 0 H GLY A 37 7.314 13.771 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.647 12.200 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.361 12.563 1.666 1.00 0.00 H new ATOM 449 N GLU A 38 8.768 11.338 4.490 1.00 0.00 N ATOM 450 CA GLU A 38 9.058 10.267 5.432 1.00 0.00 C ATOM 451 C GLU A 38 7.818 9.424 5.715 1.00 0.00 C ATOM 452 O GLU A 38 7.920 8.229 5.990 1.00 0.00 O ATOM 453 CB GLU A 38 9.630 10.840 6.740 1.00 0.00 C ATOM 454 CG GLU A 38 9.219 12.281 7.043 1.00 0.00 C ATOM 455 CD GLU A 38 7.718 12.473 7.157 1.00 0.00 C ATOM 456 OE1 GLU A 38 7.173 12.284 8.261 1.00 0.00 O ATOM 457 OE2 GLU A 38 7.082 12.816 6.136 1.00 0.00 O ATOM 0 H GLU A 38 8.536 12.228 4.931 1.00 0.00 H new ATOM 0 HA GLU A 38 9.806 9.617 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.313 10.205 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.718 10.789 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.689 12.596 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.602 12.932 6.257 1.00 0.00 H new ATOM 464 N THR A 39 6.651 10.046 5.629 1.00 0.00 N ATOM 465 CA THR A 39 5.404 9.385 5.983 1.00 0.00 C ATOM 466 C THR A 39 5.122 8.181 5.082 1.00 0.00 C ATOM 467 O THR A 39 4.723 7.127 5.570 1.00 0.00 O ATOM 468 CB THR A 39 4.221 10.371 5.938 1.00 0.00 C ATOM 469 OG1 THR A 39 4.472 11.477 6.823 1.00 0.00 O ATOM 470 CG2 THR A 39 2.915 9.692 6.337 1.00 0.00 C ATOM 0 H THR A 39 6.542 11.011 5.316 1.00 0.00 H new ATOM 0 HA THR A 39 5.517 9.021 7.004 1.00 0.00 H new ATOM 0 HB THR A 39 4.124 10.729 4.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.255 11.976 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.101 10.416 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.707 8.871 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.002 9.303 7.352 1.00 0.00 H new ATOM 478 N ILE A 40 5.365 8.322 3.779 1.00 0.00 N ATOM 479 CA ILE A 40 5.114 7.234 2.831 1.00 0.00 C ATOM 480 C ILE A 40 5.956 6.002 3.171 1.00 0.00 C ATOM 481 O ILE A 40 5.549 4.866 2.926 1.00 0.00 O ATOM 482 CB ILE A 40 5.376 7.676 1.370 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.971 6.574 0.381 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.838 8.059 1.173 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.111 6.972 -1.078 1.00 0.00 C ATOM 0 H ILE A 40 5.734 9.174 3.356 1.00 0.00 H new ATOM 0 HA ILE A 40 4.060 6.970 2.919 1.00 0.00 H new ATOM 0 HB ILE A 40 4.761 8.554 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.582 5.691 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.936 6.291 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.998 8.366 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.091 8.883 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.472 7.202 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.806 6.140 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.478 7.836 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.150 7.226 -1.288 1.00 0.00 H new ATOM 497 N LYS A 41 7.127 6.225 3.753 1.00 0.00 N ATOM 498 CA LYS A 41 7.948 5.127 4.227 1.00 0.00 C ATOM 499 C LYS A 41 7.329 4.536 5.486 1.00 0.00 C ATOM 500 O LYS A 41 7.210 3.319 5.617 1.00 0.00 O ATOM 501 CB LYS A 41 9.379 5.592 4.510 1.00 0.00 C ATOM 502 CG LYS A 41 10.249 4.505 5.124 1.00 0.00 C ATOM 503 CD LYS A 41 11.647 5.006 5.443 1.00 0.00 C ATOM 504 CE LYS A 41 12.407 4.017 6.318 1.00 0.00 C ATOM 505 NZ LYS A 41 12.497 2.663 5.706 1.00 0.00 N ATOM 0 H LYS A 41 7.525 7.152 3.906 1.00 0.00 H new ATOM 0 HA LYS A 41 7.991 4.364 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.835 5.932 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.350 6.449 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.779 4.137 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.314 3.662 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.196 5.170 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.583 5.968 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.412 4.397 6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.914 3.942 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.094 2.053 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.545 2.251 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.915 2.738 4.757 1.00 0.00 H new ATOM 519 N GLN A 42 6.894 5.418 6.384 1.00 0.00 N ATOM 520 CA GLN A 42 6.332 5.012 7.667 1.00 0.00 C ATOM 521 C GLN A 42 5.132 4.114 7.449 1.00 0.00 C ATOM 522 O GLN A 42 4.985 3.091 8.109 1.00 0.00 O ATOM 523 CB GLN A 42 5.901 6.234 8.480 1.00 0.00 C ATOM 524 CG GLN A 42 7.047 7.127 8.922 1.00 0.00 C ATOM 525 CD GLN A 42 6.555 8.429 9.520 1.00 0.00 C ATOM 526 OE1 GLN A 42 5.466 8.494 10.090 1.00 0.00 O ATOM 527 NE2 GLN A 42 7.361 9.471 9.413 1.00 0.00 N ATOM 0 H GLN A 42 6.922 6.428 6.243 1.00 0.00 H new ATOM 0 HA GLN A 42 7.102 4.471 8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.205 6.825 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.358 5.896 9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.656 6.599 9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.690 7.341 8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.256 9.376 8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.088 10.370 9.811 1.00 0.00 H new ATOM 536 N LEU A 43 4.291 4.509 6.504 1.00 0.00 N ATOM 537 CA LEU A 43 3.086 3.768 6.172 1.00 0.00 C ATOM 538 C LEU A 43 3.413 2.314 5.857 1.00 0.00 C ATOM 539 O LEU A 43 2.799 1.389 6.395 1.00 0.00 O ATOM 540 CB LEU A 43 2.406 4.396 4.961 1.00 0.00 C ATOM 541 CG LEU A 43 2.163 5.903 5.041 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.606 6.422 3.725 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.227 6.238 6.188 1.00 0.00 C ATOM 0 H LEU A 43 4.426 5.352 5.947 1.00 0.00 H new ATOM 0 HA LEU A 43 2.419 3.804 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.014 4.192 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.447 3.900 4.809 1.00 0.00 H new ATOM 0 HG LEU A 43 3.118 6.394 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.439 7.497 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.317 6.220 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.662 5.922 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.069 7.316 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.271 5.736 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.668 5.903 7.127 1.00 0.00 H new ATOM 555 N GLN A 44 4.394 2.128 4.990 1.00 0.00 N ATOM 556 CA GLN A 44 4.817 0.800 4.575 1.00 0.00 C ATOM 557 C GLN A 44 5.402 0.022 5.748 1.00 0.00 C ATOM 558 O GLN A 44 5.057 -1.142 5.963 1.00 0.00 O ATOM 559 CB GLN A 44 5.841 0.915 3.448 1.00 0.00 C ATOM 560 CG GLN A 44 5.283 1.567 2.195 1.00 0.00 C ATOM 561 CD GLN A 44 6.335 1.778 1.132 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.570 0.910 0.294 1.00 0.00 O ATOM 563 NE2 GLN A 44 6.964 2.940 1.152 1.00 0.00 N ATOM 0 H GLN A 44 4.917 2.888 4.556 1.00 0.00 H new ATOM 0 HA GLN A 44 3.946 0.254 4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.696 1.493 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.210 -0.080 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.484 0.945 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.839 2.527 2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.736 3.631 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.677 3.146 0.453 1.00 0.00 H new ATOM 572 N GLU A 45 6.265 0.684 6.515 1.00 0.00 N ATOM 573 CA GLU A 45 6.915 0.059 7.664 1.00 0.00 C ATOM 574 C GLU A 45 5.886 -0.389 8.701 1.00 0.00 C ATOM 575 O GLU A 45 5.988 -1.478 9.266 1.00 0.00 O ATOM 576 CB GLU A 45 7.884 1.037 8.341 1.00 0.00 C ATOM 577 CG GLU A 45 8.904 1.683 7.416 1.00 0.00 C ATOM 578 CD GLU A 45 9.818 0.688 6.734 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.008 -0.421 7.269 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.375 1.028 5.668 1.00 0.00 O ATOM 0 H GLU A 45 6.531 1.657 6.361 1.00 0.00 H new ATOM 0 HA GLU A 45 7.461 -0.807 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.303 1.824 8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.417 0.507 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.378 2.261 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.509 2.386 7.989 1.00 0.00 H new ATOM 587 N ARG A 46 4.891 0.463 8.934 1.00 0.00 N ATOM 588 CA ARG A 46 3.961 0.271 10.040 1.00 0.00 C ATOM 589 C ARG A 46 2.851 -0.724 9.709 1.00 0.00 C ATOM 590 O ARG A 46 2.426 -1.488 10.574 1.00 0.00 O ATOM 591 CB ARG A 46 3.369 1.621 10.480 1.00 0.00 C ATOM 592 CG ARG A 46 2.445 2.278 9.467 1.00 0.00 C ATOM 593 CD ARG A 46 2.138 3.716 9.853 1.00 0.00 C ATOM 594 NE ARG A 46 1.547 3.827 11.185 1.00 0.00 N ATOM 595 CZ ARG A 46 0.864 4.890 11.609 1.00 0.00 C ATOM 596 NH1 ARG A 46 0.674 5.929 10.802 1.00 0.00 N ATOM 597 NH2 ARG A 46 0.377 4.913 12.842 1.00 0.00 N ATOM 0 H ARG A 46 4.709 1.293 8.370 1.00 0.00 H new ATOM 0 HA ARG A 46 4.529 -0.157 10.866 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.819 1.474 11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.188 2.306 10.700 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.908 2.255 8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.516 1.711 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.057 4.302 9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.456 4.147 9.120 1.00 0.00 H new ATOM 0 HE ARG A 46 1.664 3.044 11.828 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.051 5.915 9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.151 6.741 11.130 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.525 4.118 13.464 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.146 5.725 13.169 1.00 0.00 H new ATOM 611 N ALA A 47 2.378 -0.723 8.472 1.00 0.00 N ATOM 612 CA ALA A 47 1.300 -1.626 8.092 1.00 0.00 C ATOM 613 C ALA A 47 1.848 -2.952 7.576 1.00 0.00 C ATOM 614 O ALA A 47 1.178 -3.980 7.644 1.00 0.00 O ATOM 615 CB ALA A 47 0.386 -0.979 7.064 1.00 0.00 C ATOM 0 H ALA A 47 2.716 -0.118 7.724 1.00 0.00 H new ATOM 0 HA ALA A 47 0.710 -1.834 8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.410 -1.674 6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.049 -0.072 7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.961 -0.727 6.173 1.00 0.00 H new ATOM 621 N GLY A 48 3.084 -2.925 7.088 1.00 0.00 N ATOM 622 CA GLY A 48 3.706 -4.127 6.562 1.00 0.00 C ATOM 623 C GLY A 48 3.396 -4.347 5.093 1.00 0.00 C ATOM 624 O GLY A 48 3.461 -5.474 4.594 1.00 0.00 O ATOM 0 H GLY A 48 3.668 -2.090 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.786 -4.062 6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.365 -4.989 7.135 1.00 0.00 H new ATOM 628 N VAL A 49 3.073 -3.267 4.397 1.00 0.00 N ATOM 629 CA VAL A 49 2.710 -3.339 2.987 1.00 0.00 C ATOM 630 C VAL A 49 3.633 -2.477 2.146 1.00 0.00 C ATOM 631 O VAL A 49 4.547 -1.838 2.664 1.00 0.00 O ATOM 632 CB VAL A 49 1.259 -2.876 2.741 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.275 -3.891 3.282 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.015 -1.508 3.363 1.00 0.00 C ATOM 0 H VAL A 49 3.055 -2.325 4.787 1.00 0.00 H new ATOM 0 HA VAL A 49 2.805 -4.386 2.698 1.00 0.00 H new ATOM 0 HB VAL A 49 1.108 -2.792 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.742 -3.545 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.429 -4.848 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.429 -4.012 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.014 -1.202 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.189 -1.561 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.695 -0.780 2.920 1.00 0.00 H new ATOM 644 N LYS A 50 3.394 -2.486 0.846 1.00 0.00 N ATOM 645 CA LYS A 50 4.102 -1.613 -0.066 1.00 0.00 C ATOM 646 C LYS A 50 3.106 -0.673 -0.733 1.00 0.00 C ATOM 647 O LYS A 50 2.159 -1.117 -1.378 1.00 0.00 O ATOM 648 CB LYS A 50 4.839 -2.445 -1.117 1.00 0.00 C ATOM 649 CG LYS A 50 5.595 -1.620 -2.144 1.00 0.00 C ATOM 650 CD LYS A 50 6.286 -2.511 -3.161 1.00 0.00 C ATOM 651 CE LYS A 50 7.009 -1.698 -4.219 1.00 0.00 C ATOM 652 NZ LYS A 50 7.721 -2.565 -5.193 1.00 0.00 N ATOM 0 H LYS A 50 2.709 -3.095 0.398 1.00 0.00 H new ATOM 0 HA LYS A 50 4.836 -1.024 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.541 -3.109 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.118 -3.078 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.905 -0.948 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.334 -0.996 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.998 -3.161 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.550 -3.157 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.292 -1.071 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.723 -1.030 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.202 -1.972 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.424 -3.146 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.036 -3.185 -5.671 1.00 0.00 H new ATOM 666 N MET A 51 3.324 0.620 -0.582 1.00 0.00 N ATOM 667 CA MET A 51 2.432 1.617 -1.153 1.00 0.00 C ATOM 668 C MET A 51 3.195 2.437 -2.176 1.00 0.00 C ATOM 669 O MET A 51 4.146 3.138 -1.833 1.00 0.00 O ATOM 670 CB MET A 51 1.880 2.534 -0.060 1.00 0.00 C ATOM 671 CG MET A 51 1.194 1.785 1.070 1.00 0.00 C ATOM 672 SD MET A 51 0.407 2.885 2.261 1.00 0.00 S ATOM 673 CE MET A 51 -0.770 3.720 1.204 1.00 0.00 C ATOM 0 H MET A 51 4.114 1.008 -0.067 1.00 0.00 H new ATOM 0 HA MET A 51 1.594 1.112 -1.633 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.696 3.128 0.351 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.171 3.232 -0.506 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.444 1.113 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.927 1.164 1.585 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.456 4.753 1.055 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.818 3.213 0.240 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.754 3.704 1.672 1.00 0.00 H new ATOM 683 N ILE A 52 2.794 2.343 -3.428 1.00 0.00 N ATOM 684 CA ILE A 52 3.485 3.057 -4.484 1.00 0.00 C ATOM 685 C ILE A 52 2.670 4.260 -4.955 1.00 0.00 C ATOM 686 O ILE A 52 1.642 4.120 -5.622 1.00 0.00 O ATOM 687 CB ILE A 52 3.836 2.126 -5.675 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.435 2.927 -6.837 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.616 1.344 -6.134 1.00 0.00 C ATOM 690 CD1 ILE A 52 4.779 2.080 -8.045 1.00 0.00 C ATOM 0 H ILE A 52 1.999 1.784 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 52 4.424 3.422 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 52 4.585 1.412 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.728 3.701 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.336 3.434 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.890 0.700 -6.969 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.245 0.733 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.837 2.038 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.198 2.714 -8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.510 1.322 -7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.877 1.593 -8.417 1.00 0.00 H new ATOM 702 N LEU A 53 3.120 5.441 -4.559 1.00 0.00 N ATOM 703 CA LEU A 53 2.535 6.688 -5.025 1.00 0.00 C ATOM 704 C LEU A 53 3.134 7.051 -6.379 1.00 0.00 C ATOM 705 O LEU A 53 4.262 7.543 -6.458 1.00 0.00 O ATOM 706 CB LEU A 53 2.803 7.813 -4.010 1.00 0.00 C ATOM 707 CG LEU A 53 1.735 8.022 -2.925 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.358 8.229 -3.544 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.713 6.856 -1.950 1.00 0.00 C ATOM 0 H LEU A 53 3.897 5.561 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 53 1.457 6.564 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.755 7.610 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.920 8.748 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 53 1.997 8.924 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.378 8.374 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.377 9.108 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.089 7.353 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.949 7.029 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.488 5.935 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.687 6.766 -1.469 1.00 0.00 H new ATOM 721 N ILE A 54 2.384 6.805 -7.447 1.00 0.00 N ATOM 722 CA ILE A 54 2.877 7.070 -8.785 1.00 0.00 C ATOM 723 C ILE A 54 2.712 8.543 -9.127 1.00 0.00 C ATOM 724 O ILE A 54 1.716 8.962 -9.714 1.00 0.00 O ATOM 725 CB ILE A 54 2.158 6.204 -9.844 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.292 4.722 -9.485 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.726 6.470 -11.235 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.524 3.795 -10.402 1.00 0.00 C ATOM 0 H ILE A 54 1.438 6.425 -7.409 1.00 0.00 H new ATOM 0 HA ILE A 54 3.935 6.809 -8.799 1.00 0.00 H new ATOM 0 HB ILE A 54 1.101 6.471 -9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.347 4.447 -9.508 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.946 4.574 -8.462 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.206 5.850 -11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.590 7.521 -11.489 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.789 6.229 -11.246 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.670 2.763 -10.082 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.463 4.041 -10.362 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.885 3.912 -11.424 1.00 0.00 H new ATOM 740 N GLN A 55 3.695 9.322 -8.727 1.00 0.00 N ATOM 741 CA GLN A 55 3.781 10.716 -9.116 1.00 0.00 C ATOM 742 C GLN A 55 5.029 10.926 -9.958 1.00 0.00 C ATOM 743 O GLN A 55 5.218 11.971 -10.574 1.00 0.00 O ATOM 744 CB GLN A 55 3.777 11.627 -7.880 1.00 0.00 C ATOM 745 CG GLN A 55 4.575 11.089 -6.696 1.00 0.00 C ATOM 746 CD GLN A 55 6.076 11.076 -6.926 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.618 11.910 -7.649 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.757 10.125 -6.308 1.00 0.00 N ATOM 0 H GLN A 55 4.456 9.009 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 55 2.908 10.980 -9.713 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.179 12.601 -8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.746 11.786 -7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.356 11.695 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.241 10.075 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.270 9.452 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.769 10.065 -6.423 1.00 0.00 H new ATOM 862 N ASP A 64 -5.216 13.175 -10.386 1.00 0.00 N ATOM 863 CA ASP A 64 -5.167 12.147 -9.355 1.00 0.00 C ATOM 864 C ASP A 64 -3.796 11.493 -9.291 1.00 0.00 C ATOM 865 O ASP A 64 -2.912 11.784 -10.092 1.00 0.00 O ATOM 866 CB ASP A 64 -6.232 11.075 -9.613 1.00 0.00 C ATOM 867 CG ASP A 64 -6.253 10.595 -11.052 1.00 0.00 C ATOM 868 OD1 ASP A 64 -5.287 9.938 -11.485 1.00 0.00 O ATOM 869 OD2 ASP A 64 -7.244 10.883 -11.756 1.00 0.00 O ATOM 0 HA ASP A 64 -5.366 12.633 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.051 10.225 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.212 11.475 -9.355 1.00 0.00 H new ATOM 874 N LYS A 65 -3.621 10.623 -8.320 1.00 0.00 N ATOM 875 CA LYS A 65 -2.368 9.916 -8.138 1.00 0.00 C ATOM 876 C LYS A 65 -2.607 8.432 -8.009 1.00 0.00 C ATOM 877 O LYS A 65 -3.232 7.983 -7.049 1.00 0.00 O ATOM 878 CB LYS A 65 -1.629 10.421 -6.899 1.00 0.00 C ATOM 879 CG LYS A 65 -1.163 11.856 -7.034 1.00 0.00 C ATOM 880 CD LYS A 65 -0.197 11.996 -8.196 1.00 0.00 C ATOM 881 CE LYS A 65 -0.084 13.430 -8.658 1.00 0.00 C ATOM 882 NZ LYS A 65 -1.396 13.986 -9.066 1.00 0.00 N ATOM 0 H LYS A 65 -4.339 10.385 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.753 10.105 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.284 10.337 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.767 9.781 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.021 12.510 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.679 12.175 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.786 11.631 -7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.531 11.372 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.334 14.038 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.611 13.487 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.247 14.834 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.919 13.275 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.944 14.240 -8.219 1.00 0.00 H new ATOM 896 N PRO A 66 -2.139 7.662 -8.995 1.00 0.00 N ATOM 897 CA PRO A 66 -2.175 6.204 -8.945 1.00 0.00 C ATOM 898 C PRO A 66 -1.428 5.664 -7.728 1.00 0.00 C ATOM 899 O PRO A 66 -0.197 5.664 -7.685 1.00 0.00 O ATOM 900 CB PRO A 66 -1.461 5.787 -10.235 1.00 0.00 C ATOM 901 CG PRO A 66 -1.609 6.952 -11.145 1.00 0.00 C ATOM 902 CD PRO A 66 -1.562 8.159 -10.257 1.00 0.00 C ATOM 0 HA PRO A 66 -3.191 5.817 -8.863 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.411 5.560 -10.050 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.910 4.891 -10.664 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.809 6.977 -11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.549 6.905 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.543 8.521 -10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.141 8.986 -10.668 1.00 0.00 H new ATOM 910 N LEU A 67 -2.182 5.226 -6.736 1.00 0.00 N ATOM 911 CA LEU A 67 -1.605 4.633 -5.546 1.00 0.00 C ATOM 912 C LEU A 67 -1.956 3.162 -5.471 1.00 0.00 C ATOM 913 O LEU A 67 -3.100 2.808 -5.194 1.00 0.00 O ATOM 914 CB LEU A 67 -2.110 5.350 -4.287 1.00 0.00 C ATOM 915 CG LEU A 67 -1.877 4.601 -2.967 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.397 4.343 -2.741 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.469 5.375 -1.799 1.00 0.00 C ATOM 0 H LEU A 67 -3.201 5.271 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.522 4.740 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.624 6.324 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.179 5.534 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.382 3.637 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.260 3.811 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.004 3.739 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.136 5.293 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.293 4.827 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.997 6.356 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.542 5.498 -1.950 1.00 0.00 H new ATOM 929 N ARG A 68 -0.982 2.308 -5.736 1.00 0.00 N ATOM 930 CA ARG A 68 -1.170 0.885 -5.537 1.00 0.00 C ATOM 931 C ARG A 68 -0.700 0.503 -4.150 1.00 0.00 C ATOM 932 O ARG A 68 0.473 0.679 -3.812 1.00 0.00 O ATOM 933 CB ARG A 68 -0.401 0.044 -6.551 1.00 0.00 C ATOM 934 CG ARG A 68 -0.786 0.269 -7.995 1.00 0.00 C ATOM 935 CD ARG A 68 -0.610 -1.011 -8.791 1.00 0.00 C ATOM 936 NE ARG A 68 -1.832 -1.813 -8.793 1.00 0.00 N ATOM 937 CZ ARG A 68 -2.066 -2.828 -9.621 1.00 0.00 C ATOM 938 NH1 ARG A 68 -1.164 -3.184 -10.528 1.00 0.00 N ATOM 939 NH2 ARG A 68 -3.215 -3.480 -9.536 1.00 0.00 N ATOM 0 H ARG A 68 -0.062 2.574 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.234 0.684 -5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.663 0.251 -6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.548 -1.009 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.822 0.603 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.171 1.060 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.332 -0.768 -9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.208 -1.594 -8.368 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.555 -1.578 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.281 -2.678 -10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.354 -3.964 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.909 -3.202 -8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.407 -4.260 -10.165 1.00 0.00 H new ATOM 953 N ILE A 69 -1.609 0.012 -3.343 1.00 0.00 N ATOM 954 CA ILE A 69 -1.239 -0.550 -2.065 1.00 0.00 C ATOM 955 C ILE A 69 -1.132 -2.053 -2.222 1.00 0.00 C ATOM 956 O ILE A 69 -2.140 -2.753 -2.266 1.00 0.00 O ATOM 957 CB ILE A 69 -2.272 -0.211 -0.982 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.563 1.284 -1.003 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.760 -0.635 0.388 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.808 1.655 -0.247 1.00 0.00 C ATOM 0 H ILE A 69 -2.608 -0.010 -3.547 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.285 -0.126 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.195 -0.755 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.714 1.819 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.662 1.614 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.503 -0.388 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.580 -1.710 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.830 -0.110 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.959 2.733 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.666 1.147 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.704 1.355 0.796 1.00 0.00 H new ATOM 972 N ILE A 70 0.092 -2.536 -2.314 1.00 0.00 N ATOM 973 CA ILE A 70 0.342 -3.927 -2.632 1.00 0.00 C ATOM 974 C ILE A 70 0.737 -4.688 -1.372 1.00 0.00 C ATOM 975 O ILE A 70 1.727 -4.351 -0.715 1.00 0.00 O ATOM 976 CB ILE A 70 1.465 -4.062 -3.689 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.366 -2.941 -4.738 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.383 -5.419 -4.368 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.510 -2.936 -5.733 1.00 0.00 C ATOM 0 H ILE A 70 0.935 -1.979 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.575 -4.349 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 70 2.426 -3.974 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.426 -3.044 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.336 -1.979 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.177 -5.503 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.497 -6.206 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.416 -5.522 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.373 -2.119 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.453 -2.802 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.528 -3.884 -6.271 1.00 0.00 H new ATOM 991 N GLY A 71 -0.053 -5.691 -1.018 1.00 0.00 N ATOM 992 CA GLY A 71 0.242 -6.494 0.145 1.00 0.00 C ATOM 993 C GLY A 71 -0.830 -7.526 0.420 1.00 0.00 C ATOM 994 O GLY A 71 -1.323 -8.186 -0.496 1.00 0.00 O ATOM 0 H GLY A 71 -0.898 -5.962 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.199 -6.997 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.349 -5.845 1.014 1.00 0.00 H new ATOM 998 N ASP A 72 -1.185 -7.668 1.683 1.00 0.00 N ATOM 999 CA ASP A 72 -2.198 -8.609 2.105 1.00 0.00 C ATOM 1000 C ASP A 72 -3.458 -7.853 2.517 1.00 0.00 C ATOM 1001 O ASP A 72 -3.364 -6.714 2.975 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.650 -9.438 3.253 1.00 0.00 C ATOM 1003 CG ASP A 72 -0.549 -10.375 2.791 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -0.837 -11.258 1.966 1.00 0.00 O ATOM 1005 OD2 ASP A 72 0.611 -10.205 3.233 1.00 0.00 O ATOM 0 H ASP A 72 -0.775 -7.130 2.447 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.461 -9.279 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.264 -8.776 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.457 -10.017 3.702 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.642 -8.484 2.398 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.942 -7.794 2.494 1.00 0.00 C ATOM 1012 C PRO A 73 -6.069 -6.879 3.705 1.00 0.00 C ATOM 1013 O PRO A 73 -6.469 -5.721 3.583 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.946 -8.940 2.606 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.283 -10.093 1.942 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.809 -9.933 2.192 1.00 0.00 C ATOM 0 HA PRO A 73 -6.092 -7.136 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.177 -9.163 3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.888 -8.690 2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.646 -11.037 2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.497 -10.102 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.488 -10.501 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.219 -10.287 1.347 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.716 -7.402 4.867 1.00 0.00 N ATOM 1025 CA TYR A 74 -5.896 -6.685 6.119 1.00 0.00 C ATOM 1026 C TYR A 74 -5.036 -5.431 6.178 1.00 0.00 C ATOM 1027 O TYR A 74 -5.541 -4.338 6.448 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.563 -7.593 7.296 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.337 -8.885 7.283 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.722 -8.884 7.367 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.686 -10.106 7.166 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -8.437 -10.063 7.345 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -6.395 -11.289 7.143 1.00 0.00 C ATOM 1034 CZ TYR A 74 -7.769 -11.261 7.231 1.00 0.00 C ATOM 1035 OH TYR A 74 -8.477 -12.438 7.208 1.00 0.00 O ATOM 0 H TYR A 74 -5.300 -8.328 4.970 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.941 -6.380 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.496 -7.815 7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.768 -7.063 8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.249 -7.945 7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.609 -10.130 7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.514 -10.046 7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.875 -12.232 7.056 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.856 -13.191 7.122 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.743 -5.584 5.917 1.00 0.00 N ATOM 1046 CA LYS A 75 -2.819 -4.465 6.019 1.00 0.00 C ATOM 1047 C LYS A 75 -2.978 -3.484 4.871 1.00 0.00 C ATOM 1048 O LYS A 75 -2.636 -2.316 5.009 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.374 -4.927 6.126 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.040 -6.151 5.311 1.00 0.00 C ATOM 1051 CD LYS A 75 0.330 -6.680 5.700 1.00 0.00 C ATOM 1052 CE LYS A 75 0.784 -7.788 4.779 1.00 0.00 C ATOM 1053 NZ LYS A 75 2.070 -8.391 5.212 1.00 0.00 N ATOM 0 H LYS A 75 -3.315 -6.466 5.635 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.076 -3.944 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.722 -4.111 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.149 -5.132 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.795 -6.921 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.056 -5.906 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.055 -5.866 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.300 -7.049 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.017 -8.562 4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.892 -7.395 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.231 -9.277 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.847 -7.728 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.034 -8.591 6.232 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.504 -3.945 3.747 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.782 -3.050 2.636 1.00 0.00 C ATOM 1069 C VAL A 76 -4.939 -2.134 3.002 1.00 0.00 C ATOM 1070 O VAL A 76 -4.909 -0.930 2.742 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.112 -3.821 1.334 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.614 -2.876 0.255 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.889 -4.573 0.840 1.00 0.00 C ATOM 0 H VAL A 76 -3.745 -4.922 3.581 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.883 -2.463 2.447 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.902 -4.538 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.839 -3.442 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.517 -2.374 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.847 -2.133 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.137 -5.110 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.084 -3.866 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.567 -5.284 1.601 1.00 0.00 H new ATOM 1083 N GLN A 77 -5.938 -2.710 3.655 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.127 -1.978 4.026 1.00 0.00 C ATOM 1085 C GLN A 77 -6.840 -0.987 5.151 1.00 0.00 C ATOM 1086 O GLN A 77 -7.239 0.173 5.072 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.239 -2.946 4.429 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.521 -2.258 4.858 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.045 -1.283 3.818 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -9.597 -0.042 3.908 1.00 0.00 O flip ATOM 1091 NE2 GLN A 77 -10.832 -1.643 2.944 1.00 0.00 N flip ATOM 0 H GLN A 77 -5.942 -3.690 3.938 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.457 -1.406 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.455 -3.607 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.883 -3.574 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.282 -3.012 5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.346 -1.725 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.151 -2.611 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.165 -0.973 2.251 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.134 -1.420 6.191 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.831 -0.527 7.302 1.00 0.00 C ATOM 1102 C GLN A 78 -4.953 0.607 6.835 1.00 0.00 C ATOM 1103 O GLN A 78 -5.104 1.750 7.256 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.140 -1.286 8.413 1.00 0.00 C ATOM 1105 CG GLN A 78 -3.984 -2.124 7.938 1.00 0.00 C ATOM 1106 CD GLN A 78 -3.210 -2.792 9.066 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -2.003 -3.004 8.957 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -3.892 -3.143 10.147 1.00 0.00 N ATOM 0 H GLN A 78 -5.767 -2.367 6.287 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.767 -0.118 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.782 -0.577 9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.866 -1.930 8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.357 -2.892 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.303 -1.496 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.892 -2.952 10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.417 -3.604 10.922 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.037 0.263 5.960 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.148 1.240 5.353 1.00 0.00 C ATOM 1119 C ALA A 79 -3.947 2.241 4.519 1.00 0.00 C ATOM 1120 O ALA A 79 -3.668 3.439 4.532 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.089 0.545 4.508 1.00 0.00 C ATOM 0 H ALA A 79 -3.883 -0.695 5.647 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.639 1.789 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.432 1.292 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.502 -0.124 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.573 -0.031 3.719 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.954 1.735 3.811 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.860 2.575 3.037 1.00 0.00 C ATOM 1129 C CYS A 80 -6.659 3.488 3.960 1.00 0.00 C ATOM 1130 O CYS A 80 -6.724 4.697 3.746 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.803 1.701 2.205 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.986 2.620 1.194 1.00 0.00 S ATOM 0 H CYS A 80 -5.163 0.738 3.759 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.271 3.197 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.206 1.064 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.354 1.042 2.877 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.731 1.786 0.532 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.250 2.902 4.999 1.00 0.00 N ATOM 1139 CA GLU A 81 -7.978 3.669 6.005 1.00 0.00 C ATOM 1140 C GLU A 81 -7.075 4.732 6.603 1.00 0.00 C ATOM 1141 O GLU A 81 -7.497 5.855 6.856 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.486 2.759 7.124 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.506 1.737 6.666 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.962 0.833 7.790 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -10.940 1.178 8.483 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.344 -0.234 7.989 1.00 0.00 O ATOM 0 H GLU A 81 -7.238 1.896 5.166 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.831 4.140 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.638 2.238 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.929 3.374 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.369 2.253 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.076 1.131 5.868 1.00 0.00 H new ATOM 1153 N MET A 82 -5.826 4.349 6.803 1.00 0.00 N ATOM 1154 CA MET A 82 -4.820 5.220 7.393 1.00 0.00 C ATOM 1155 C MET A 82 -4.550 6.437 6.517 1.00 0.00 C ATOM 1156 O MET A 82 -4.650 7.574 6.979 1.00 0.00 O ATOM 1157 CB MET A 82 -3.530 4.429 7.620 1.00 0.00 C ATOM 1158 CG MET A 82 -2.342 5.271 8.052 1.00 0.00 C ATOM 1159 SD MET A 82 -0.891 4.266 8.430 1.00 0.00 S ATOM 1160 CE MET A 82 -0.729 3.307 6.924 1.00 0.00 C ATOM 0 H MET A 82 -5.478 3.421 6.560 1.00 0.00 H new ATOM 0 HA MET A 82 -5.198 5.584 8.349 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.714 3.668 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.273 3.906 6.699 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.095 5.979 7.261 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.615 5.856 8.930 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.320 3.261 6.633 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.103 2.297 7.094 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.306 3.778 6.129 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.220 6.202 5.253 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.884 7.297 4.351 1.00 0.00 C ATOM 1172 C VAL A 83 -5.113 8.125 3.997 1.00 0.00 C ATOM 1173 O VAL A 83 -5.035 9.348 3.905 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.188 6.810 3.061 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.868 6.144 3.401 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.076 5.863 2.267 1.00 0.00 C ATOM 0 H VAL A 83 -4.178 5.274 4.832 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.178 7.927 4.892 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.997 7.681 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.385 5.804 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.220 6.858 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.049 5.290 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.552 5.542 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.316 4.992 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.997 6.376 1.988 1.00 0.00 H new ATOM 1186 N MET A 84 -6.252 7.462 3.823 1.00 0.00 N ATOM 1187 CA MET A 84 -7.496 8.162 3.539 1.00 0.00 C ATOM 1188 C MET A 84 -7.916 9.000 4.736 1.00 0.00 C ATOM 1189 O MET A 84 -8.486 10.079 4.579 1.00 0.00 O ATOM 1190 CB MET A 84 -8.609 7.182 3.160 1.00 0.00 C ATOM 1191 CG MET A 84 -8.448 6.574 1.774 1.00 0.00 C ATOM 1192 SD MET A 84 -8.487 7.809 0.457 1.00 0.00 S ATOM 1193 CE MET A 84 -10.116 8.518 0.704 1.00 0.00 C ATOM 0 H MET A 84 -6.338 6.447 3.874 1.00 0.00 H new ATOM 0 HA MET A 84 -7.324 8.822 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.640 6.379 3.897 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.568 7.698 3.211 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.504 6.031 1.728 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.243 5.847 1.607 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.428 9.038 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.828 7.724 0.930 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.084 9.224 1.534 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.614 8.507 5.935 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.910 9.247 7.160 1.00 0.00 C ATOM 1205 C ASP A 85 -7.140 10.562 7.189 1.00 0.00 C ATOM 1206 O ASP A 85 -7.670 11.594 7.590 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.567 8.419 8.400 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.776 9.193 9.690 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -8.942 9.410 10.080 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -6.772 9.590 10.322 1.00 0.00 O ATOM 0 H ASP A 85 -7.167 7.603 6.085 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.979 9.459 7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.183 7.520 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.529 8.093 8.340 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.897 10.523 6.724 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.050 11.710 6.687 1.00 0.00 C ATOM 1217 C ILE A 86 -5.599 12.739 5.699 1.00 0.00 C ATOM 1218 O ILE A 86 -5.426 13.943 5.880 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.595 11.354 6.295 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.046 10.260 7.215 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.701 12.589 6.353 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.637 9.817 6.875 1.00 0.00 C ATOM 0 H ILE A 86 -5.451 9.678 6.366 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.050 12.135 7.691 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.600 10.981 5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.064 10.622 8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.708 9.396 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.684 12.315 6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.077 13.343 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.703 12.993 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.321 9.041 7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.615 9.423 5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.960 10.668 6.949 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.275 12.261 4.666 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.777 13.136 3.615 1.00 0.00 C ATOM 1236 C LEU A 87 -8.132 13.735 3.980 1.00 0.00 C ATOM 1237 O LEU A 87 -8.513 14.785 3.466 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.899 12.368 2.298 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.624 11.668 1.828 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.854 11.001 0.482 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.467 12.652 1.750 1.00 0.00 C ATOM 0 H LEU A 87 -6.489 11.273 4.532 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.062 13.951 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.686 11.621 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.220 13.061 1.521 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.364 10.899 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.938 10.507 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.652 10.264 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.138 11.754 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.570 12.133 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.712 13.447 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.289 13.083 2.735 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.854 13.069 4.864 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.205 13.495 5.218 1.00 0.00 C ATOM 1255 C ARG A 88 -10.212 14.269 6.526 1.00 0.00 C ATOM 1256 O ARG A 88 -11.248 14.770 6.960 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.117 12.275 5.333 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.727 11.352 6.474 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.470 10.032 6.423 1.00 0.00 C ATOM 1260 NE ARG A 88 -12.909 10.197 6.614 1.00 0.00 N ATOM 1261 CZ ARG A 88 -13.766 9.183 6.683 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -13.326 7.931 6.602 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -15.060 9.426 6.836 1.00 0.00 N ATOM 0 H ARG A 88 -8.532 12.233 5.351 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.572 14.154 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.145 12.608 5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.090 11.718 4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.654 11.164 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.931 11.845 7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.286 9.551 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.078 9.367 7.192 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.277 11.144 6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.329 7.747 6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.985 7.154 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.394 10.388 6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.722 8.651 6.889 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.051 14.367 7.136 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.920 14.980 8.445 1.00 0.00 C ATOM 1279 C GLU A 89 -8.192 16.311 8.323 1.00 0.00 C ATOM 1280 O GLU A 89 -8.839 17.367 8.472 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.157 14.038 9.379 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.218 14.424 10.844 1.00 0.00 C ATOM 1283 CD GLU A 89 -9.611 14.307 11.423 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -10.138 13.176 11.499 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -10.181 15.344 11.820 1.00 0.00 O ATOM 1286 OXT GLU A 89 -6.977 16.295 8.043 1.00 0.00 O ATOM 0 H GLU A 89 -8.173 14.027 6.743 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.911 15.163 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.556 13.030 9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.113 14.004 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.539 13.788 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.866 15.449 10.960 1.00 0.00 H new