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 Set 1.1: A 74 TYR OH : rot -104:sc= 0.461 USER MOD Set 1.2: A 78 GLN : amide:sc= -0.171 K(o=0.29,f=-0.24) USER MOD Set 2.1: A 51 MET CE :methyl -127:sc= -2.95! (180deg=-3.12!) USER MOD Set 2.2: A 82 MET CE :methyl 140:sc= -2.04! (180deg=-4.91!) USER MOD Single : A 18 THR OG1 : rot 33:sc= -0.783 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 23 MET CE :methyl -124:sc= -0.695 (180deg=-2.46!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.11) USER MOD Single : A 42 GLN :FLIP amide:sc= -1.45 F(o=-4.1!,f=-1.4) USER MOD Single : A 44 GLN : amide:sc= 0.136 X(o=0.14,f=-0.18) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= -0.101 (180deg=-0.458) USER MOD Single : A 55 GLN :FLIP amide:sc= -2.98! C(o=-3.8!,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= 0.0839 (180deg=-0.0159) USER MOD Single : A 77 GLN : amide:sc= 0.726 K(o=0.73,f=-0.047) USER MOD Single : A 80 CYS SG : rot 180:sc= -0.231 USER MOD Single : A 84 MET CE :methyl -149:sc= -0.291 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -2.418 -8.686 -3.685 1.00 0.00 N ATOM 166 CA THR A 18 -3.589 -7.839 -3.591 1.00 0.00 C ATOM 167 C THR A 18 -3.176 -6.372 -3.634 1.00 0.00 C ATOM 168 O THR A 18 -2.322 -5.937 -2.864 1.00 0.00 O ATOM 169 CB THR A 18 -4.365 -8.136 -2.301 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.640 -9.544 -2.238 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.668 -7.350 -2.238 1.00 0.00 C ATOM 0 HA THR A 18 -4.240 -8.048 -4.440 1.00 0.00 H new ATOM 0 HB THR A 18 -3.755 -7.831 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.903 -10.040 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.191 -7.586 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.451 -6.282 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.296 -7.619 -3.087 1.00 0.00 H new ATOM 179 N VAL A 19 -3.768 -5.623 -4.549 1.00 0.00 N ATOM 180 CA VAL A 19 -3.401 -4.231 -4.744 1.00 0.00 C ATOM 181 C VAL A 19 -4.626 -3.368 -5.044 1.00 0.00 C ATOM 182 O VAL A 19 -5.506 -3.762 -5.813 1.00 0.00 O ATOM 183 CB VAL A 19 -2.358 -4.091 -5.883 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.879 -4.682 -7.187 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.953 -2.638 -6.077 1.00 0.00 C ATOM 0 H VAL A 19 -4.506 -5.956 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.956 -3.877 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.473 -4.655 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.124 -4.568 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.097 -5.741 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.789 -4.161 -7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.221 -2.569 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.832 -2.047 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.516 -2.256 -5.155 1.00 0.00 H new ATOM 195 N GLN A 20 -4.691 -2.204 -4.412 1.00 0.00 N ATOM 196 CA GLN A 20 -5.713 -1.218 -4.739 1.00 0.00 C ATOM 197 C GLN A 20 -5.066 0.005 -5.368 1.00 0.00 C ATOM 198 O GLN A 20 -3.871 0.239 -5.188 1.00 0.00 O ATOM 199 CB GLN A 20 -6.517 -0.797 -3.505 1.00 0.00 C ATOM 200 CG GLN A 20 -7.369 -1.903 -2.911 1.00 0.00 C ATOM 201 CD GLN A 20 -8.448 -1.363 -1.992 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.116 -1.185 -0.725 1.00 0.00 O flip ATOM 203 NE2 GLN A 20 -9.566 -1.090 -2.424 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.050 -1.919 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.403 -1.680 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.828 -0.435 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.163 0.039 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.832 -2.475 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.732 -2.592 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.783 -1.242 -3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.276 -0.712 -1.798 1.00 0.00 H new ATOM 212 N GLU A 21 -5.854 0.778 -6.102 1.00 0.00 N ATOM 213 CA GLU A 21 -5.366 1.997 -6.738 1.00 0.00 C ATOM 214 C GLU A 21 -6.228 3.176 -6.328 1.00 0.00 C ATOM 215 O GLU A 21 -7.412 3.238 -6.656 1.00 0.00 O ATOM 216 CB GLU A 21 -5.354 1.859 -8.263 1.00 0.00 C ATOM 217 CG GLU A 21 -4.383 0.805 -8.754 1.00 0.00 C ATOM 218 CD GLU A 21 -4.224 0.787 -10.262 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.216 0.524 -10.973 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.096 1.011 -10.741 1.00 0.00 O ATOM 0 H GLU A 21 -6.840 0.582 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.342 2.167 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.358 1.609 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.094 2.820 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.409 0.977 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.723 -0.175 -8.420 1.00 0.00 H new ATOM 227 N ILE A 22 -5.641 4.100 -5.587 1.00 0.00 N ATOM 228 CA ILE A 22 -6.377 5.255 -5.102 1.00 0.00 C ATOM 229 C ILE A 22 -6.006 6.489 -5.898 1.00 0.00 C ATOM 230 O ILE A 22 -4.838 6.693 -6.217 1.00 0.00 O ATOM 231 CB ILE A 22 -6.094 5.540 -3.612 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.021 4.234 -2.813 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.178 6.442 -3.041 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.293 3.407 -2.863 1.00 0.00 C ATOM 0 H ILE A 22 -4.660 4.074 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.435 5.024 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.131 6.044 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.194 3.634 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.793 4.469 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.971 6.638 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.194 7.384 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.147 5.951 -3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.161 2.500 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.121 3.987 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.513 3.139 -3.897 1.00 0.00 H new ATOM 246 N MET A 23 -7.002 7.289 -6.238 1.00 0.00 N ATOM 247 CA MET A 23 -6.768 8.584 -6.858 1.00 0.00 C ATOM 248 C MET A 23 -6.541 9.628 -5.778 1.00 0.00 C ATOM 249 O MET A 23 -7.490 10.228 -5.271 1.00 0.00 O ATOM 250 CB MET A 23 -7.958 8.992 -7.725 1.00 0.00 C ATOM 251 CG MET A 23 -7.894 8.524 -9.179 1.00 0.00 C ATOM 252 SD MET A 23 -7.732 6.734 -9.375 1.00 0.00 S ATOM 253 CE MET A 23 -5.949 6.539 -9.398 1.00 0.00 C ATOM 0 H MET A 23 -7.986 7.064 -6.094 1.00 0.00 H new ATOM 0 HA MET A 23 -5.886 8.512 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.868 8.598 -7.273 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.040 10.079 -7.713 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.795 8.855 -9.695 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.050 9.010 -9.668 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.651 6.024 -10.312 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.475 7.520 -9.363 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.636 5.954 -8.533 1.00 0.00 H new ATOM 263 N ILE A 24 -5.289 9.826 -5.415 1.00 0.00 N ATOM 264 CA ILE A 24 -4.947 10.759 -4.356 1.00 0.00 C ATOM 265 C ILE A 24 -4.952 12.192 -4.875 1.00 0.00 C ATOM 266 O ILE A 24 -4.316 12.491 -5.884 1.00 0.00 O ATOM 267 CB ILE A 24 -3.563 10.439 -3.752 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.508 8.984 -3.279 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.247 11.388 -2.609 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.652 8.598 -2.368 1.00 0.00 C ATOM 0 H ILE A 24 -4.490 9.353 -5.837 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.702 10.655 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.809 10.576 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.511 8.328 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.566 8.816 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.268 11.147 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.243 12.414 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.004 11.286 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.546 7.554 -2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.638 9.229 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.597 8.733 -2.894 1.00 0.00 H new ATOM 282 N PRO A 25 -5.706 13.082 -4.209 1.00 0.00 N ATOM 283 CA PRO A 25 -5.725 14.505 -4.541 1.00 0.00 C ATOM 284 C PRO A 25 -4.315 15.083 -4.595 1.00 0.00 C ATOM 285 O PRO A 25 -3.485 14.804 -3.731 1.00 0.00 O ATOM 286 CB PRO A 25 -6.523 15.127 -3.393 1.00 0.00 C ATOM 287 CG PRO A 25 -7.400 14.028 -2.909 1.00 0.00 C ATOM 288 CD PRO A 25 -6.613 12.762 -3.095 1.00 0.00 C ATOM 0 HA PRO A 25 -6.158 14.701 -5.522 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.865 15.487 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.109 15.981 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.666 14.173 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.332 13.995 -3.473 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.062 12.496 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.260 11.918 -3.334 1.00 0.00 H new ATOM 296 N ALA A 26 -4.060 15.885 -5.626 1.00 0.00 N ATOM 297 CA ALA A 26 -2.722 16.401 -5.914 1.00 0.00 C ATOM 298 C ALA A 26 -2.135 17.194 -4.749 1.00 0.00 C ATOM 299 O ALA A 26 -0.925 17.177 -4.534 1.00 0.00 O ATOM 300 CB ALA A 26 -2.747 17.254 -7.173 1.00 0.00 C ATOM 0 H ALA A 26 -4.773 16.196 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.074 15.539 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.745 17.632 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.085 16.650 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.429 18.092 -7.031 1.00 0.00 H new ATOM 306 N GLY A 27 -2.985 17.888 -4.004 1.00 0.00 N ATOM 307 CA GLY A 27 -2.517 18.623 -2.844 1.00 0.00 C ATOM 308 C GLY A 27 -2.387 17.727 -1.628 1.00 0.00 C ATOM 309 O GLY A 27 -1.542 17.948 -0.761 1.00 0.00 O ATOM 0 H GLY A 27 -3.987 17.956 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.551 19.077 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.209 19.436 -2.625 1.00 0.00 H new ATOM 313 N LYS A 28 -3.219 16.693 -1.583 1.00 0.00 N ATOM 314 CA LYS A 28 -3.212 15.740 -0.480 1.00 0.00 C ATOM 315 C LYS A 28 -2.081 14.732 -0.645 1.00 0.00 C ATOM 316 O LYS A 28 -1.801 13.940 0.256 1.00 0.00 O ATOM 317 CB LYS A 28 -4.557 15.021 -0.393 1.00 0.00 C ATOM 318 CG LYS A 28 -5.376 15.408 0.827 1.00 0.00 C ATOM 319 CD LYS A 28 -5.564 16.908 0.932 1.00 0.00 C ATOM 320 CE LYS A 28 -6.358 17.292 2.169 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.331 18.759 2.405 1.00 0.00 N ATOM 0 H LYS A 28 -3.912 16.493 -2.304 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.048 16.289 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.134 15.238 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.384 13.945 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.351 14.923 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.882 15.041 1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.589 17.395 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.078 17.273 0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.390 16.960 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.950 16.776 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.883 18.984 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.348 19.071 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.743 19.250 1.586 1.00 0.00 H new ATOM 335 N ALA A 29 -1.429 14.775 -1.799 1.00 0.00 N ATOM 336 CA ALA A 29 -0.286 13.921 -2.070 1.00 0.00 C ATOM 337 C ALA A 29 0.841 14.209 -1.085 1.00 0.00 C ATOM 338 O ALA A 29 1.650 13.337 -0.777 1.00 0.00 O ATOM 339 CB ALA A 29 0.191 14.115 -3.498 1.00 0.00 C ATOM 0 H ALA A 29 -1.677 15.399 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.592 12.882 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.048 13.468 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.614 13.861 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.482 15.155 -3.646 1.00 0.00 H new ATOM 345 N GLY A 30 0.869 15.431 -0.571 1.00 0.00 N ATOM 346 CA GLY A 30 1.867 15.797 0.413 1.00 0.00 C ATOM 347 C GLY A 30 1.654 15.093 1.739 1.00 0.00 C ATOM 348 O GLY A 30 2.562 15.022 2.561 1.00 0.00 O ATOM 0 H GLY A 30 0.218 16.176 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.858 15.553 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.842 16.876 0.569 1.00 0.00 H new ATOM 352 N LEU A 31 0.456 14.564 1.948 1.00 0.00 N ATOM 353 CA LEU A 31 0.138 13.871 3.187 1.00 0.00 C ATOM 354 C LEU A 31 0.487 12.390 3.087 1.00 0.00 C ATOM 355 O LEU A 31 0.966 11.793 4.051 1.00 0.00 O ATOM 356 CB LEU A 31 -1.340 14.049 3.538 1.00 0.00 C ATOM 357 CG LEU A 31 -1.775 15.498 3.781 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.246 15.558 4.154 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.926 16.138 4.870 1.00 0.00 C ATOM 0 H LEU A 31 -0.310 14.602 1.276 1.00 0.00 H new ATOM 0 HA LEU A 31 0.739 14.309 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.943 13.635 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.559 13.464 4.431 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.629 16.057 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.537 16.595 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.844 15.141 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.415 14.981 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.251 17.167 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.039 15.576 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.121 16.131 4.567 1.00 0.00 H new ATOM 371 N VAL A 32 0.254 11.800 1.920 1.00 0.00 N ATOM 372 CA VAL A 32 0.625 10.405 1.695 1.00 0.00 C ATOM 373 C VAL A 32 2.140 10.261 1.587 1.00 0.00 C ATOM 374 O VAL A 32 2.706 9.253 1.998 1.00 0.00 O ATOM 375 CB VAL A 32 -0.043 9.800 0.439 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.425 9.266 0.766 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.139 10.825 -0.674 1.00 0.00 C ATOM 0 H VAL A 32 -0.185 12.259 1.122 1.00 0.00 H new ATOM 0 HA VAL A 32 0.261 9.849 2.559 1.00 0.00 H new ATOM 0 HB VAL A 32 0.583 8.974 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.875 8.845 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.345 8.491 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.050 10.078 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.613 10.373 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.734 11.674 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.861 11.167 -0.941 1.00 0.00 H new ATOM 387 N ILE A 33 2.790 11.275 1.028 1.00 0.00 N ATOM 388 CA ILE A 33 4.244 11.306 0.984 1.00 0.00 C ATOM 389 C ILE A 33 4.785 11.712 2.349 1.00 0.00 C ATOM 390 O ILE A 33 5.766 11.155 2.847 1.00 0.00 O ATOM 391 CB ILE A 33 4.766 12.280 -0.098 1.00 0.00 C ATOM 392 CG1 ILE A 33 4.263 11.858 -1.480 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.289 12.339 -0.082 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.609 12.842 -2.575 1.00 0.00 C ATOM 0 H ILE A 33 2.335 12.082 0.601 1.00 0.00 H new ATOM 0 HA ILE A 33 4.594 10.307 0.725 1.00 0.00 H new ATOM 0 HB ILE A 33 4.383 13.276 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.686 10.885 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.181 11.735 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.634 13.030 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.630 12.683 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.694 11.346 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.221 12.478 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.163 13.811 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.692 12.947 -2.641 1.00 0.00 H new ATOM 406 N GLY A 34 4.124 12.679 2.958 1.00 0.00 N ATOM 407 CA GLY A 34 4.485 13.091 4.292 1.00 0.00 C ATOM 408 C GLY A 34 5.234 14.398 4.308 1.00 0.00 C ATOM 409 O GLY A 34 5.543 14.954 3.253 1.00 0.00 O ATOM 0 H GLY A 34 3.340 13.188 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.583 13.185 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.099 12.318 4.754 1.00 0.00 H new ATOM 413 N LYS A 35 5.552 14.875 5.504 1.00 0.00 N ATOM 414 CA LYS A 35 6.247 16.145 5.668 1.00 0.00 C ATOM 415 C LYS A 35 7.730 15.987 5.340 1.00 0.00 C ATOM 416 O LYS A 35 8.592 16.157 6.200 1.00 0.00 O ATOM 417 CB LYS A 35 6.075 16.663 7.099 1.00 0.00 C ATOM 418 CG LYS A 35 4.627 16.704 7.578 1.00 0.00 C ATOM 419 CD LYS A 35 3.764 17.630 6.729 1.00 0.00 C ATOM 420 CE LYS A 35 4.244 19.071 6.797 1.00 0.00 C ATOM 421 NZ LYS A 35 3.360 19.987 6.030 1.00 0.00 N ATOM 0 H LYS A 35 5.338 14.398 6.380 1.00 0.00 H new ATOM 0 HA LYS A 35 5.813 16.869 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.652 16.031 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.496 17.666 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.210 15.697 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.599 17.035 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.778 17.291 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.730 17.575 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.283 19.392 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.259 19.134 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.722 20.959 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.342 19.697 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.397 19.947 6.419 1.00 0.00 H new ATOM 435 N GLY A 36 8.013 15.635 4.098 1.00 0.00 N ATOM 436 CA GLY A 36 9.385 15.486 3.660 1.00 0.00 C ATOM 437 C GLY A 36 9.688 14.073 3.218 1.00 0.00 C ATOM 438 O GLY A 36 10.847 13.659 3.169 1.00 0.00 O ATOM 0 H GLY A 36 7.313 15.448 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.579 16.173 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.057 15.764 4.472 1.00 0.00 H new ATOM 442 N GLY A 37 8.636 13.325 2.907 1.00 0.00 N ATOM 443 CA GLY A 37 8.803 11.960 2.451 1.00 0.00 C ATOM 444 C GLY A 37 8.981 10.984 3.595 1.00 0.00 C ATOM 445 O GLY A 37 9.194 9.796 3.376 1.00 0.00 O ATOM 0 H GLY A 37 7.668 13.642 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.934 11.669 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.669 11.904 1.792 1.00 0.00 H new ATOM 449 N GLU A 38 8.883 11.484 4.816 1.00 0.00 N ATOM 450 CA GLU A 38 9.080 10.656 5.996 1.00 0.00 C ATOM 451 C GLU A 38 7.840 9.810 6.284 1.00 0.00 C ATOM 452 O GLU A 38 7.947 8.648 6.673 1.00 0.00 O ATOM 453 CB GLU A 38 9.427 11.544 7.197 1.00 0.00 C ATOM 454 CG GLU A 38 9.683 10.781 8.487 1.00 0.00 C ATOM 455 CD GLU A 38 10.737 9.701 8.343 1.00 0.00 C ATOM 456 OE1 GLU A 38 11.835 9.994 7.821 1.00 0.00 O ATOM 457 OE2 GLU A 38 10.473 8.553 8.752 1.00 0.00 O ATOM 0 H GLU A 38 8.668 12.461 5.017 1.00 0.00 H new ATOM 0 HA GLU A 38 9.908 9.972 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.312 12.132 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.611 12.248 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.994 11.483 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.751 10.327 8.824 1.00 0.00 H new ATOM 464 N THR A 39 6.664 10.384 6.065 1.00 0.00 N ATOM 465 CA THR A 39 5.417 9.692 6.363 1.00 0.00 C ATOM 466 C THR A 39 5.204 8.494 5.433 1.00 0.00 C ATOM 467 O THR A 39 4.770 7.434 5.880 1.00 0.00 O ATOM 468 CB THR A 39 4.211 10.649 6.278 1.00 0.00 C ATOM 469 OG1 THR A 39 4.457 11.807 7.093 1.00 0.00 O ATOM 470 CG2 THR A 39 2.931 9.969 6.743 1.00 0.00 C ATOM 0 H THR A 39 6.548 11.323 5.684 1.00 0.00 H new ATOM 0 HA THR A 39 5.494 9.322 7.386 1.00 0.00 H new ATOM 0 HB THR A 39 4.085 10.943 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.691 12.415 7.037 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.100 10.670 6.671 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.730 9.102 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.045 9.647 7.778 1.00 0.00 H new ATOM 478 N ILE A 40 5.532 8.648 4.151 1.00 0.00 N ATOM 479 CA ILE A 40 5.368 7.548 3.194 1.00 0.00 C ATOM 480 C ILE A 40 6.277 6.370 3.559 1.00 0.00 C ATOM 481 O ILE A 40 5.956 5.209 3.292 1.00 0.00 O ATOM 482 CB ILE A 40 5.636 8.006 1.738 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.329 6.881 0.742 1.00 0.00 C ATOM 484 CG2 ILE A 40 7.071 8.485 1.571 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.504 7.286 -0.712 1.00 0.00 C ATOM 0 H ILE A 40 5.907 9.509 3.753 1.00 0.00 H new ATOM 0 HA ILE A 40 4.330 7.221 3.252 1.00 0.00 H new ATOM 0 HB ILE A 40 4.969 8.842 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.980 6.033 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.304 6.543 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.232 8.800 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.254 9.325 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.756 7.673 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.269 6.439 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.834 8.114 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.535 7.596 -0.882 1.00 0.00 H new ATOM 497 N LYS A 41 7.404 6.677 4.195 1.00 0.00 N ATOM 498 CA LYS A 41 8.305 5.653 4.704 1.00 0.00 C ATOM 499 C LYS A 41 7.629 4.883 5.831 1.00 0.00 C ATOM 500 O LYS A 41 7.721 3.658 5.911 1.00 0.00 O ATOM 501 CB LYS A 41 9.596 6.294 5.222 1.00 0.00 C ATOM 502 CG LYS A 41 10.437 6.961 4.145 1.00 0.00 C ATOM 503 CD LYS A 41 11.446 7.928 4.749 1.00 0.00 C ATOM 504 CE LYS A 41 12.361 7.244 5.750 1.00 0.00 C ATOM 505 NZ LYS A 41 13.264 8.214 6.423 1.00 0.00 N ATOM 0 H LYS A 41 7.714 7.633 4.370 1.00 0.00 H new ATOM 0 HA LYS A 41 8.550 4.967 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.342 7.035 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.196 5.529 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.961 6.200 3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.787 7.496 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.045 8.370 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.917 8.744 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.760 6.727 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.956 6.486 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.776 7.736 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.946 8.589 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.702 8.996 6.816 1.00 0.00 H new ATOM 519 N GLN A 42 6.917 5.621 6.674 1.00 0.00 N ATOM 520 CA GLN A 42 6.263 5.060 7.847 1.00 0.00 C ATOM 521 C GLN A 42 5.081 4.194 7.440 1.00 0.00 C ATOM 522 O GLN A 42 4.882 3.108 7.982 1.00 0.00 O ATOM 523 CB GLN A 42 5.784 6.189 8.764 1.00 0.00 C ATOM 524 CG GLN A 42 6.914 7.044 9.317 1.00 0.00 C ATOM 525 CD GLN A 42 6.418 8.259 10.076 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.203 9.324 10.052 1.00 0.00 O flip ATOM 527 NE2 GLN A 42 5.339 8.247 10.671 1.00 0.00 N flip ATOM 0 H GLN A 42 6.777 6.625 6.563 1.00 0.00 H new ATOM 0 HA GLN A 42 6.983 4.439 8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.094 6.827 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.225 5.759 9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.532 6.437 9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.551 7.371 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.763 7.405 10.665 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.022 9.079 11.169 1.00 0.00 H new ATOM 536 N LEU A 43 4.311 4.680 6.474 1.00 0.00 N ATOM 537 CA LEU A 43 3.106 3.992 6.028 1.00 0.00 C ATOM 538 C LEU A 43 3.409 2.573 5.568 1.00 0.00 C ATOM 539 O LEU A 43 2.724 1.626 5.957 1.00 0.00 O ATOM 540 CB LEU A 43 2.443 4.758 4.886 1.00 0.00 C ATOM 541 CG LEU A 43 2.075 6.212 5.194 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.475 6.876 3.969 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.104 6.281 6.365 1.00 0.00 C ATOM 0 H LEU A 43 4.501 5.553 5.982 1.00 0.00 H new ATOM 0 HA LEU A 43 2.428 3.944 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.113 4.745 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.538 4.227 4.593 1.00 0.00 H new ATOM 0 HG LEU A 43 2.984 6.747 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.219 7.909 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.199 6.858 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.576 6.339 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.854 7.322 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.196 5.731 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.566 5.839 7.248 1.00 0.00 H new ATOM 555 N GLN A 44 4.443 2.434 4.752 1.00 0.00 N ATOM 556 CA GLN A 44 4.803 1.144 4.186 1.00 0.00 C ATOM 557 C GLN A 44 5.165 0.137 5.277 1.00 0.00 C ATOM 558 O GLN A 44 4.587 -0.951 5.344 1.00 0.00 O ATOM 559 CB GLN A 44 5.967 1.308 3.208 1.00 0.00 C ATOM 560 CG GLN A 44 5.626 2.171 2.003 1.00 0.00 C ATOM 561 CD GLN A 44 6.802 2.357 1.066 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.018 1.557 0.156 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.559 3.421 1.274 1.00 0.00 N ATOM 0 H GLN A 44 5.050 3.203 4.466 1.00 0.00 H new ATOM 0 HA GLN A 44 3.936 0.757 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.814 1.749 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.283 0.324 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.800 1.715 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.282 3.147 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.343 4.058 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.359 3.604 0.668 1.00 0.00 H new ATOM 572 N GLU A 45 6.095 0.512 6.145 1.00 0.00 N ATOM 573 CA GLU A 45 6.592 -0.397 7.172 1.00 0.00 C ATOM 574 C GLU A 45 5.528 -0.713 8.221 1.00 0.00 C ATOM 575 O GLU A 45 5.413 -1.854 8.666 1.00 0.00 O ATOM 576 CB GLU A 45 7.837 0.178 7.852 1.00 0.00 C ATOM 577 CG GLU A 45 7.632 1.564 8.440 1.00 0.00 C ATOM 578 CD GLU A 45 8.737 1.973 9.390 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.808 2.414 8.920 1.00 0.00 O ATOM 580 OE2 GLU A 45 8.527 1.883 10.619 1.00 0.00 O ATOM 0 H GLU A 45 6.521 1.439 6.159 1.00 0.00 H new ATOM 0 HA GLU A 45 6.855 -1.328 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.151 -0.500 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.650 0.218 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.569 2.291 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.678 1.592 8.967 1.00 0.00 H new ATOM 587 N ARG A 46 4.744 0.287 8.610 1.00 0.00 N ATOM 588 CA ARG A 46 3.775 0.111 9.687 1.00 0.00 C ATOM 589 C ARG A 46 2.630 -0.792 9.255 1.00 0.00 C ATOM 590 O ARG A 46 2.054 -1.518 10.068 1.00 0.00 O ATOM 591 CB ARG A 46 3.220 1.457 10.165 1.00 0.00 C ATOM 592 CG ARG A 46 2.270 2.132 9.189 1.00 0.00 C ATOM 593 CD ARG A 46 1.708 3.415 9.770 1.00 0.00 C ATOM 594 NE ARG A 46 1.008 3.184 11.033 1.00 0.00 N ATOM 595 CZ ARG A 46 0.227 4.085 11.624 1.00 0.00 C ATOM 596 NH1 ARG A 46 -0.003 5.256 11.040 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.334 3.804 12.793 1.00 0.00 N ATOM 0 H ARG A 46 4.759 1.221 8.200 1.00 0.00 H new ATOM 0 HA ARG A 46 4.302 -0.362 10.516 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.701 1.306 11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.055 2.129 10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.794 2.350 8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.454 1.453 8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.518 4.126 9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.023 3.868 9.053 1.00 0.00 H new ATOM 0 HE ARG A 46 1.125 2.279 11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.420 5.467 10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.602 5.944 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.166 2.900 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.933 4.492 13.250 1.00 0.00 H new ATOM 611 N ALA A 47 2.307 -0.750 7.974 1.00 0.00 N ATOM 612 CA ALA A 47 1.194 -1.518 7.457 1.00 0.00 C ATOM 613 C ALA A 47 1.651 -2.871 6.930 1.00 0.00 C ATOM 614 O ALA A 47 0.842 -3.776 6.725 1.00 0.00 O ATOM 615 CB ALA A 47 0.487 -0.739 6.365 1.00 0.00 C ATOM 0 H ALA A 47 2.800 -0.193 7.276 1.00 0.00 H new ATOM 0 HA ALA A 47 0.498 -1.698 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.349 -1.325 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.115 0.201 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.186 -0.532 5.555 1.00 0.00 H new ATOM 621 N GLY A 48 2.954 -3.001 6.717 1.00 0.00 N ATOM 622 CA GLY A 48 3.508 -4.233 6.190 1.00 0.00 C ATOM 623 C GLY A 48 3.200 -4.408 4.718 1.00 0.00 C ATOM 624 O GLY A 48 3.166 -5.528 4.208 1.00 0.00 O ATOM 0 H GLY A 48 3.641 -2.270 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.588 -4.237 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.107 -5.079 6.748 1.00 0.00 H new ATOM 628 N VAL A 49 2.984 -3.295 4.037 1.00 0.00 N ATOM 629 CA VAL A 49 2.622 -3.305 2.627 1.00 0.00 C ATOM 630 C VAL A 49 3.610 -2.470 1.829 1.00 0.00 C ATOM 631 O VAL A 49 4.487 -1.813 2.397 1.00 0.00 O ATOM 632 CB VAL A 49 1.202 -2.737 2.394 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.155 -3.579 3.103 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.118 -1.286 2.846 1.00 0.00 C ATOM 0 H VAL A 49 3.054 -2.362 4.443 1.00 0.00 H new ATOM 0 HA VAL A 49 2.644 -4.344 2.297 1.00 0.00 H new ATOM 0 HB VAL A 49 0.999 -2.774 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.834 -3.158 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.190 -4.600 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.357 -3.585 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.110 -0.909 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.351 -1.222 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.832 -0.687 2.281 1.00 0.00 H new ATOM 644 N LYS A 50 3.472 -2.495 0.518 1.00 0.00 N ATOM 645 CA LYS A 50 4.283 -1.652 -0.334 1.00 0.00 C ATOM 646 C LYS A 50 3.398 -0.575 -0.937 1.00 0.00 C ATOM 647 O LYS A 50 2.392 -0.879 -1.578 1.00 0.00 O ATOM 648 CB LYS A 50 4.962 -2.486 -1.430 1.00 0.00 C ATOM 649 CG LYS A 50 6.242 -1.862 -1.980 1.00 0.00 C ATOM 650 CD LYS A 50 5.969 -0.684 -2.906 1.00 0.00 C ATOM 651 CE LYS A 50 5.486 -1.143 -4.275 1.00 0.00 C ATOM 652 NZ LYS A 50 6.527 -1.926 -4.995 1.00 0.00 N ATOM 0 H LYS A 50 2.807 -3.089 0.022 1.00 0.00 H new ATOM 0 HA LYS A 50 5.072 -1.183 0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.194 -3.473 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.259 -2.631 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.866 -1.530 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.808 -2.620 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.220 -0.033 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.878 -0.093 -3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.589 -1.752 -4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.207 -0.275 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.325 -1.917 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.461 -1.502 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.524 -2.907 -4.650 1.00 0.00 H new ATOM 666 N MET A 51 3.766 0.678 -0.716 1.00 0.00 N ATOM 667 CA MET A 51 2.998 1.799 -1.234 1.00 0.00 C ATOM 668 C MET A 51 3.810 2.559 -2.259 1.00 0.00 C ATOM 669 O MET A 51 4.858 3.122 -1.942 1.00 0.00 O ATOM 670 CB MET A 51 2.573 2.760 -0.116 1.00 0.00 C ATOM 671 CG MET A 51 1.608 2.159 0.888 1.00 0.00 C ATOM 672 SD MET A 51 1.009 3.377 2.071 1.00 0.00 S ATOM 673 CE MET A 51 -0.028 2.358 3.106 1.00 0.00 C ATOM 0 H MET A 51 4.593 0.944 -0.181 1.00 0.00 H new ATOM 0 HA MET A 51 2.100 1.391 -1.698 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.463 3.101 0.412 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.112 3.640 -0.565 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.761 1.722 0.359 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.102 1.348 1.423 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.021 2.802 3.175 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.105 1.360 2.674 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.408 2.289 4.102 1.00 0.00 H new ATOM 683 N ILE A 52 3.337 2.568 -3.488 1.00 0.00 N ATOM 684 CA ILE A 52 3.988 3.331 -4.525 1.00 0.00 C ATOM 685 C ILE A 52 3.163 4.568 -4.862 1.00 0.00 C ATOM 686 O ILE A 52 2.100 4.484 -5.480 1.00 0.00 O ATOM 687 CB ILE A 52 4.257 2.484 -5.796 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.856 3.357 -6.905 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.989 1.783 -6.271 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.222 2.589 -8.156 1.00 0.00 C ATOM 0 H ILE A 52 2.507 2.057 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 52 4.960 3.644 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 52 4.982 1.710 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.142 4.138 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.747 3.855 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.210 1.197 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.622 1.123 -5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.228 2.527 -6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.639 3.274 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.960 1.826 -7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.330 2.114 -8.565 1.00 0.00 H new ATOM 702 N LEU A 53 3.636 5.712 -4.403 1.00 0.00 N ATOM 703 CA LEU A 53 3.027 6.977 -4.762 1.00 0.00 C ATOM 704 C LEU A 53 3.551 7.409 -6.118 1.00 0.00 C ATOM 705 O LEU A 53 4.681 7.889 -6.236 1.00 0.00 O ATOM 706 CB LEU A 53 3.318 8.049 -3.702 1.00 0.00 C ATOM 707 CG LEU A 53 2.258 8.209 -2.604 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.893 8.499 -3.214 1.00 0.00 C ATOM 709 CD2 LEU A 53 2.197 6.973 -1.721 1.00 0.00 C ATOM 0 H LEU A 53 4.440 5.790 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 53 1.945 6.852 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.272 7.815 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.439 9.008 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 53 2.544 9.056 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.155 8.609 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.942 9.421 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.603 7.675 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.438 7.113 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.942 6.104 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.167 6.814 -1.250 1.00 0.00 H new ATOM 721 N ILE A 54 2.737 7.223 -7.142 1.00 0.00 N ATOM 722 CA ILE A 54 3.146 7.521 -8.501 1.00 0.00 C ATOM 723 C ILE A 54 3.053 9.020 -8.761 1.00 0.00 C ATOM 724 O ILE A 54 2.030 9.530 -9.215 1.00 0.00 O ATOM 725 CB ILE A 54 2.296 6.731 -9.523 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.402 5.228 -9.235 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.739 7.035 -10.947 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.622 4.359 -10.200 1.00 0.00 C ATOM 0 H ILE A 54 1.786 6.866 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 54 4.184 7.211 -8.624 1.00 0.00 H new ATOM 0 HB ILE A 54 1.255 7.039 -9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.452 4.936 -9.266 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.048 5.037 -8.222 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.126 6.468 -11.648 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.623 8.101 -11.144 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.785 6.755 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.748 3.311 -9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.565 4.621 -10.153 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.991 4.519 -11.213 1.00 0.00 H new ATOM 740 N GLN A 55 4.128 9.722 -8.428 1.00 0.00 N ATOM 741 CA GLN A 55 4.195 11.163 -8.610 1.00 0.00 C ATOM 742 C GLN A 55 4.950 11.479 -9.894 1.00 0.00 C ATOM 743 O GLN A 55 4.777 12.540 -10.496 1.00 0.00 O ATOM 744 CB GLN A 55 4.911 11.826 -7.424 1.00 0.00 C ATOM 745 CG GLN A 55 4.412 11.396 -6.050 1.00 0.00 C ATOM 746 CD GLN A 55 2.937 11.667 -5.834 1.00 0.00 C ATOM 747 OE1 GLN A 55 2.110 10.663 -6.075 1.00 0.00 O flip ATOM 748 NE2 GLN A 55 2.549 12.753 -5.417 1.00 0.00 N flip ATOM 0 H GLN A 55 4.971 9.311 -8.027 1.00 0.00 H new ATOM 0 HA GLN A 55 3.179 11.553 -8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.976 11.606 -7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.803 12.907 -7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.601 10.330 -5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.986 11.917 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.219 13.502 -5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.556 12.907 -5.243 1.00 0.00 H new ATOM 862 N ASP A 64 -4.572 13.778 -10.321 1.00 0.00 N ATOM 863 CA ASP A 64 -4.605 12.987 -9.113 1.00 0.00 C ATOM 864 C ASP A 64 -3.302 12.223 -9.009 1.00 0.00 C ATOM 865 O ASP A 64 -2.346 12.521 -9.719 1.00 0.00 O ATOM 866 CB ASP A 64 -5.787 12.010 -9.123 1.00 0.00 C ATOM 867 CG ASP A 64 -7.133 12.706 -9.151 1.00 0.00 C ATOM 868 OD1 ASP A 64 -7.472 13.405 -8.170 1.00 0.00 O ATOM 869 OD2 ASP A 64 -7.864 12.561 -10.155 1.00 0.00 O ATOM 0 HA ASP A 64 -4.730 13.646 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.704 11.357 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.732 11.373 -8.240 1.00 0.00 H new ATOM 874 N LYS A 65 -3.260 11.243 -8.134 1.00 0.00 N ATOM 875 CA LYS A 65 -2.043 10.487 -7.899 1.00 0.00 C ATOM 876 C LYS A 65 -2.358 9.023 -7.684 1.00 0.00 C ATOM 877 O LYS A 65 -3.055 8.667 -6.735 1.00 0.00 O ATOM 878 CB LYS A 65 -1.311 11.034 -6.679 1.00 0.00 C ATOM 879 CG LYS A 65 -1.017 12.520 -6.785 1.00 0.00 C ATOM 880 CD LYS A 65 0.073 12.800 -7.804 1.00 0.00 C ATOM 881 CE LYS A 65 0.095 14.265 -8.195 1.00 0.00 C ATOM 882 NZ LYS A 65 1.195 14.570 -9.150 1.00 0.00 N ATOM 0 H LYS A 65 -4.057 10.948 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.406 10.586 -8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.912 10.850 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.374 10.492 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.925 13.053 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.713 12.902 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.041 12.516 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.088 12.187 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.861 14.535 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.211 14.877 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.175 15.581 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.109 14.337 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.071 14.005 -10.014 1.00 0.00 H new ATOM 896 N PRO A 66 -1.868 8.164 -8.579 1.00 0.00 N ATOM 897 CA PRO A 66 -2.025 6.717 -8.456 1.00 0.00 C ATOM 898 C PRO A 66 -1.305 6.171 -7.232 1.00 0.00 C ATOM 899 O PRO A 66 -0.099 6.380 -7.059 1.00 0.00 O ATOM 900 CB PRO A 66 -1.381 6.168 -9.733 1.00 0.00 C ATOM 901 CG PRO A 66 -1.306 7.326 -10.662 1.00 0.00 C ATOM 902 CD PRO A 66 -1.133 8.536 -9.795 1.00 0.00 C ATOM 0 HA PRO A 66 -3.070 6.432 -8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.390 5.761 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.977 5.360 -10.158 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.471 7.218 -11.354 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.211 7.403 -11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.082 8.740 -9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.545 9.431 -10.261 1.00 0.00 H new ATOM 910 N LEU A 67 -2.046 5.482 -6.386 1.00 0.00 N ATOM 911 CA LEU A 67 -1.479 4.866 -5.204 1.00 0.00 C ATOM 912 C LEU A 67 -1.786 3.381 -5.200 1.00 0.00 C ATOM 913 O LEU A 67 -2.927 2.979 -4.980 1.00 0.00 O ATOM 914 CB LEU A 67 -2.029 5.520 -3.932 1.00 0.00 C ATOM 915 CG LEU A 67 -1.698 4.783 -2.629 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.195 4.671 -2.431 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.343 5.479 -1.442 1.00 0.00 C ATOM 0 H LEU A 67 -3.049 5.335 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.399 5.010 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.639 6.536 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.112 5.599 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.104 3.774 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.011 4.144 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.242 4.120 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.242 5.669 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.096 4.941 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.971 6.501 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.425 5.495 -1.573 1.00 0.00 H new ATOM 929 N ARG A 68 -0.774 2.575 -5.467 1.00 0.00 N ATOM 930 CA ARG A 68 -0.937 1.135 -5.443 1.00 0.00 C ATOM 931 C ARG A 68 -0.481 0.580 -4.107 1.00 0.00 C ATOM 932 O ARG A 68 0.716 0.531 -3.818 1.00 0.00 O ATOM 933 CB ARG A 68 -0.160 0.471 -6.583 1.00 0.00 C ATOM 934 CG ARG A 68 -0.676 0.843 -7.958 1.00 0.00 C ATOM 935 CD ARG A 68 -0.017 0.029 -9.057 1.00 0.00 C ATOM 936 NE ARG A 68 -0.496 0.431 -10.381 1.00 0.00 N ATOM 937 CZ ARG A 68 0.211 0.324 -11.506 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.442 -0.173 -11.480 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.314 0.728 -12.658 1.00 0.00 N ATOM 0 H ARG A 68 0.166 2.893 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.995 0.912 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.891 0.752 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.210 -0.611 -6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.755 0.691 -7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.497 1.903 -8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.065 0.155 -9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.222 -1.030 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.437 0.820 -10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.851 -0.475 -10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.978 -0.253 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.256 1.119 -12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.225 0.647 -13.520 1.00 0.00 H new ATOM 953 N ILE A 69 -1.444 0.200 -3.281 1.00 0.00 N ATOM 954 CA ILE A 69 -1.149 -0.458 -2.020 1.00 0.00 C ATOM 955 C ILE A 69 -1.058 -1.954 -2.270 1.00 0.00 C ATOM 956 O ILE A 69 -2.073 -2.619 -2.470 1.00 0.00 O ATOM 957 CB ILE A 69 -2.218 -0.187 -0.929 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.461 1.314 -0.733 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.800 -0.820 0.389 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.453 1.904 -1.712 1.00 0.00 C ATOM 0 H ILE A 69 -2.438 0.337 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.208 -0.054 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.152 -0.637 -1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.820 1.485 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.512 1.842 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.560 -0.622 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.692 -1.897 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.849 -0.396 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.573 2.969 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.087 1.766 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.415 1.403 -1.602 1.00 0.00 H new ATOM 972 N ILE A 70 0.160 -2.468 -2.287 1.00 0.00 N ATOM 973 CA ILE A 70 0.395 -3.856 -2.653 1.00 0.00 C ATOM 974 C ILE A 70 0.691 -4.704 -1.421 1.00 0.00 C ATOM 975 O ILE A 70 1.567 -4.367 -0.620 1.00 0.00 O ATOM 976 CB ILE A 70 1.566 -3.976 -3.651 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.450 -2.904 -4.739 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.581 -5.360 -4.283 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.578 -2.929 -5.748 1.00 0.00 C ATOM 0 H ILE A 70 1.003 -1.945 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.515 -4.224 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 70 2.500 -3.827 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.503 -3.034 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.420 -1.922 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.412 -5.431 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.698 -6.114 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.643 -5.528 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.424 -2.141 -6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.527 -2.768 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.596 -3.896 -6.250 1.00 0.00 H new ATOM 991 N GLY A 71 -0.055 -5.789 -1.269 1.00 0.00 N ATOM 992 CA GLY A 71 0.142 -6.695 -0.159 1.00 0.00 C ATOM 993 C GLY A 71 -1.002 -7.681 -0.034 1.00 0.00 C ATOM 994 O GLY A 71 -1.536 -8.144 -1.039 1.00 0.00 O ATOM 0 H GLY A 71 -0.804 -6.059 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.078 -7.238 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.234 -6.124 0.765 1.00 0.00 H new ATOM 998 N ASP A 72 -1.379 -8.001 1.195 1.00 0.00 N ATOM 999 CA ASP A 72 -2.517 -8.864 1.451 1.00 0.00 C ATOM 1000 C ASP A 72 -3.772 -8.023 1.608 1.00 0.00 C ATOM 1001 O ASP A 72 -3.677 -6.896 2.090 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.301 -9.659 2.728 1.00 0.00 C ATOM 1003 CG ASP A 72 -1.045 -10.489 2.708 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -1.075 -11.609 2.166 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -0.028 -10.026 3.260 1.00 0.00 O ATOM 0 H ASP A 72 -0.907 -7.671 2.037 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.627 -9.549 0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.261 -8.972 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.158 -10.313 2.890 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.957 -8.535 1.236 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.203 -7.758 1.297 1.00 0.00 C ATOM 1012 C PRO A 73 -6.393 -7.074 2.646 1.00 0.00 C ATOM 1013 O PRO A 73 -6.814 -5.919 2.715 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.290 -8.810 1.075 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.622 -9.879 0.284 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.186 -9.901 0.738 1.00 0.00 C ATOM 0 HA PRO A 73 -6.216 -6.952 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.668 -9.195 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.142 -8.393 0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.099 -10.844 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.690 -9.673 -0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.024 -10.644 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.511 -10.147 -0.081 1.00 0.00 H new ATOM 1024 N TYR A 74 -6.037 -7.784 3.708 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.220 -7.289 5.061 1.00 0.00 C ATOM 1026 C TYR A 74 -5.364 -6.047 5.318 1.00 0.00 C ATOM 1027 O TYR A 74 -5.887 -4.994 5.687 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.889 -8.386 6.076 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.170 -7.997 7.508 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.472 -7.952 7.992 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.135 -7.671 8.372 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.732 -7.594 9.299 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.386 -7.313 9.680 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.686 -7.273 10.138 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.941 -6.909 11.440 1.00 0.00 O ATOM 0 H TYR A 74 -5.617 -8.712 3.655 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.266 -7.004 5.178 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.465 -9.279 5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.836 -8.650 5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.293 -8.201 7.335 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.116 -7.698 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.749 -7.565 9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.569 -7.065 10.342 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.846 -5.938 11.533 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.054 -6.161 5.116 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.167 -5.022 5.325 1.00 0.00 C ATOM 1047 C LYS A 75 -3.409 -3.935 4.287 1.00 0.00 C ATOM 1048 O LYS A 75 -3.264 -2.759 4.591 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.685 -5.425 5.328 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.301 -6.446 4.267 1.00 0.00 C ATOM 1051 CD LYS A 75 0.159 -6.882 4.405 1.00 0.00 C ATOM 1052 CE LYS A 75 0.375 -7.850 5.564 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.774 -7.825 6.072 1.00 0.00 N ATOM 0 H LYS A 75 -3.589 -7.017 4.813 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.404 -4.627 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.079 -4.530 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.434 -5.829 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.951 -7.318 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.462 -6.020 3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.483 -7.354 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.785 -6.002 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.308 -7.599 6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.127 -8.861 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.201 -8.766 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.326 -7.127 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.773 -7.564 7.079 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.796 -4.320 3.075 1.00 0.00 N ATOM 1068 CA VAL A 76 -4.089 -3.345 2.030 1.00 0.00 C ATOM 1069 C VAL A 76 -5.302 -2.512 2.420 1.00 0.00 C ATOM 1070 O VAL A 76 -5.328 -1.298 2.220 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.329 -4.022 0.658 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.860 -3.027 -0.364 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.042 -4.654 0.153 1.00 0.00 C ATOM 0 H VAL A 76 -3.913 -5.293 2.793 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.218 -2.697 1.930 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.081 -4.800 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.018 -3.533 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.805 -2.613 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.138 -2.221 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.223 -5.127 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.278 -3.885 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.701 -5.404 0.866 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.292 -3.172 3.003 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.480 -2.498 3.492 1.00 0.00 C ATOM 1085 C GLN A 77 -7.114 -1.557 4.631 1.00 0.00 C ATOM 1086 O GLN A 77 -7.447 -0.371 4.597 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.519 -3.524 3.954 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.715 -2.923 4.679 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.477 -1.914 3.839 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -11.398 -2.268 3.105 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.099 -0.651 3.952 1.00 0.00 N ATOM 0 H GLN A 77 -6.293 -4.182 3.148 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.913 -1.911 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.876 -4.078 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.033 -4.243 4.613 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.392 -3.724 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.372 -2.440 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.329 -0.403 4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.577 0.074 3.418 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.405 -2.080 5.628 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.034 -1.278 6.787 1.00 0.00 C ATOM 1102 C GLN A 78 -5.129 -0.127 6.381 1.00 0.00 C ATOM 1103 O GLN A 78 -5.210 0.967 6.934 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.345 -2.132 7.850 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.274 -3.136 8.511 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.669 -3.784 9.741 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -6.385 -4.162 10.665 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -4.352 -3.919 9.764 1.00 0.00 N ATOM 0 H GLN A 78 -6.079 -3.046 5.656 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.951 -0.871 7.212 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.511 -2.665 7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.925 -1.479 8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.201 -2.636 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.534 -3.911 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.792 -3.592 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.897 -4.350 10.569 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.280 -0.373 5.401 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.365 0.637 4.915 1.00 0.00 C ATOM 1119 C ALA A 79 -4.106 1.709 4.118 1.00 0.00 C ATOM 1120 O ALA A 79 -3.759 2.889 4.171 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.279 -0.013 4.073 1.00 0.00 C ATOM 0 H ALA A 79 -4.207 -1.272 4.924 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.899 1.127 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.593 0.752 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.730 -0.733 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.734 -0.525 3.225 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.135 1.293 3.390 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.918 2.213 2.575 1.00 0.00 C ATOM 1129 C CYS A 80 -6.790 3.106 3.441 1.00 0.00 C ATOM 1130 O CYS A 80 -6.839 4.315 3.232 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.779 1.448 1.565 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.761 2.512 0.482 1.00 0.00 S ATOM 0 H CYS A 80 -5.447 0.323 3.347 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.220 2.846 2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.131 0.821 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.449 0.780 2.106 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.453 1.777 -0.337 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.466 2.525 4.420 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.289 3.312 5.327 1.00 0.00 C ATOM 1140 C GLU A 81 -7.406 4.218 6.181 1.00 0.00 C ATOM 1141 O GLU A 81 -7.855 5.238 6.697 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.145 2.407 6.213 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.351 1.391 7.017 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.232 0.584 7.942 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -9.465 1.033 9.083 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.710 -0.491 7.524 1.00 0.00 O ATOM 0 H GLU A 81 -7.462 1.522 4.606 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.961 3.932 4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.720 3.028 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.862 1.877 5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.829 0.719 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.589 1.907 7.601 1.00 0.00 H new ATOM 1153 N MET A 82 -6.147 3.830 6.311 1.00 0.00 N ATOM 1154 CA MET A 82 -5.159 4.632 7.019 1.00 0.00 C ATOM 1155 C MET A 82 -4.799 5.874 6.206 1.00 0.00 C ATOM 1156 O MET A 82 -4.926 6.997 6.690 1.00 0.00 O ATOM 1157 CB MET A 82 -3.902 3.802 7.301 1.00 0.00 C ATOM 1158 CG MET A 82 -2.791 4.575 7.994 1.00 0.00 C ATOM 1159 SD MET A 82 -1.353 3.544 8.355 1.00 0.00 S ATOM 1160 CE MET A 82 -0.986 2.871 6.735 1.00 0.00 C ATOM 0 H MET A 82 -5.782 2.956 5.932 1.00 0.00 H new ATOM 0 HA MET A 82 -5.589 4.950 7.969 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.175 2.947 7.919 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.522 3.406 6.359 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.486 5.410 7.364 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.172 4.999 8.923 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.094 2.848 6.587 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.384 1.859 6.663 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.444 3.497 5.969 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.368 5.671 4.962 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.986 6.790 4.103 1.00 0.00 C ATOM 1172 C VAL A 83 -5.198 7.648 3.752 1.00 0.00 C ATOM 1173 O VAL A 83 -5.092 8.869 3.651 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.273 6.329 2.808 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.967 5.626 3.139 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.168 5.427 1.970 1.00 0.00 C ATOM 0 H VAL A 83 -4.275 4.752 4.530 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.276 7.388 4.674 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.051 7.218 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.480 5.309 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.312 6.310 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.171 4.754 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.636 5.122 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.438 4.543 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.072 5.969 1.692 1.00 0.00 H new ATOM 1186 N MET A 84 -6.355 7.008 3.591 1.00 0.00 N ATOM 1187 CA MET A 84 -7.595 7.729 3.331 1.00 0.00 C ATOM 1188 C MET A 84 -7.932 8.645 4.495 1.00 0.00 C ATOM 1189 O MET A 84 -8.418 9.757 4.298 1.00 0.00 O ATOM 1190 CB MET A 84 -8.757 6.760 3.084 1.00 0.00 C ATOM 1191 CG MET A 84 -8.803 6.193 1.674 1.00 0.00 C ATOM 1192 SD MET A 84 -9.147 7.453 0.427 1.00 0.00 S ATOM 1193 CE MET A 84 -10.710 8.099 1.028 1.00 0.00 C ATOM 0 H MET A 84 -6.457 5.994 3.636 1.00 0.00 H new ATOM 0 HA MET A 84 -7.447 8.329 2.433 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.686 5.936 3.794 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.696 7.276 3.288 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.850 5.715 1.448 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.568 5.419 1.623 1.00 0.00 H new ATOM 0 HE1 MET A 84 -11.312 8.437 0.185 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.245 7.316 1.565 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.523 8.937 1.700 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.657 8.176 5.709 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.942 8.966 6.905 1.00 0.00 C ATOM 1205 C ASP A 85 -7.074 10.214 6.951 1.00 0.00 C ATOM 1206 O ASP A 85 -7.560 11.304 7.228 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.728 8.154 8.179 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.076 8.943 9.426 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.275 9.211 9.645 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.156 9.291 10.197 1.00 0.00 O ATOM 0 H ASP A 85 -7.241 7.262 5.891 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.991 9.258 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.339 7.252 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.688 7.833 8.233 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.790 10.046 6.653 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.846 11.161 6.655 1.00 0.00 C ATOM 1217 C ILE A 86 -5.271 12.233 5.651 1.00 0.00 C ATOM 1218 O ILE A 86 -5.044 13.425 5.858 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.414 10.682 6.313 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.995 9.560 7.268 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.426 11.841 6.387 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.624 8.985 6.975 1.00 0.00 C ATOM 0 H ILE A 86 -5.377 9.147 6.406 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.847 11.585 7.659 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.410 10.297 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.008 9.941 8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.733 8.759 7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.426 11.483 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.718 12.614 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.427 12.256 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.399 8.197 7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.611 8.572 5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.875 9.773 7.054 1.00 0.00 H new ATOM 1234 N LEU A 87 -5.911 11.796 4.577 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.325 12.690 3.504 1.00 0.00 C ATOM 1236 C LEU A 87 -7.627 13.413 3.825 1.00 0.00 C ATOM 1237 O LEU A 87 -7.837 14.546 3.391 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.480 11.906 2.201 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.248 11.872 1.300 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -4.015 11.443 2.075 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -5.489 10.937 0.129 1.00 0.00 C ATOM 0 H LEU A 87 -6.157 10.818 4.424 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.547 13.445 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.757 10.881 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.309 12.334 1.637 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.071 12.879 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.153 11.428 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.833 12.147 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.173 10.446 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.606 10.918 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.690 9.932 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.345 11.288 -0.447 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.504 12.763 4.575 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.805 13.343 4.877 1.00 0.00 C ATOM 1255 C ARG A 88 -9.791 14.049 6.222 1.00 0.00 C ATOM 1256 O ARG A 88 -10.758 14.705 6.606 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.897 12.274 4.839 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.734 11.194 5.895 1.00 0.00 C ATOM 1259 CD ARG A 88 -11.823 10.137 5.787 1.00 0.00 C ATOM 1260 NE ARG A 88 -13.157 10.692 6.016 1.00 0.00 N ATOM 1261 CZ ARG A 88 -14.278 10.165 5.523 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -14.235 9.043 4.815 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -15.445 10.748 5.760 1.00 0.00 N ATOM 0 H ARG A 88 -8.342 11.842 4.983 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.026 14.086 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.867 12.754 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.902 11.808 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.757 10.723 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.762 11.646 6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.786 9.680 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.632 9.345 6.511 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.234 11.533 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.342 8.580 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.095 8.643 4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.485 11.600 6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.303 10.345 5.383 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.687 13.921 6.921 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.514 14.565 8.209 1.00 0.00 C ATOM 1279 C GLU A 89 -7.832 15.914 8.030 1.00 0.00 C ATOM 1280 O GLU A 89 -8.546 16.939 7.970 1.00 0.00 O ATOM 1281 CB GLU A 89 -7.704 13.673 9.153 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.537 13.037 10.251 1.00 0.00 C ATOM 1283 CD GLU A 89 -9.293 14.061 11.070 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -8.651 14.825 11.820 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -10.537 14.110 10.969 1.00 0.00 O ATOM 1286 OXT GLU A 89 -6.593 15.945 7.921 1.00 0.00 O ATOM 0 H GLU A 89 -7.884 13.370 6.617 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.496 14.726 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.222 12.887 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.910 14.266 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.245 12.337 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.887 12.459 10.908 1.00 0.00 H new