USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 275 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 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 543 ASN : amide:sc= 1.17 K(o=1.2,f=-0.023) USER MOD Single : A 544 THR OG1 : rot 180:sc= 0 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : B2327 SER OG : rot 180:sc= 0 USER MOD Single : B2328 TYR OH : rot 180:sc= 0 USER MOD Single : B2331 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 523 24.176 17.659 -14.513 1.00 0.00 N ATOM 117 CA LEU A 523 23.526 17.663 -15.833 1.00 0.00 C ATOM 118 C LEU A 523 23.149 19.089 -16.327 1.00 0.00 C ATOM 119 O LEU A 523 22.939 19.986 -15.500 1.00 0.00 O ATOM 120 CB LEU A 523 22.335 16.674 -15.820 1.00 0.00 C ATOM 121 CG LEU A 523 21.005 17.182 -15.212 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.862 17.022 -16.217 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.624 16.406 -13.950 1.00 0.00 C ATOM 0 HA LEU A 523 24.245 17.316 -16.575 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.141 16.364 -16.847 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.640 15.784 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 523 21.158 18.232 -14.961 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.934 17.384 -15.774 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.084 17.598 -17.115 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.753 15.970 -16.479 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.685 16.793 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.507 15.350 -14.194 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.408 16.521 -13.202 1.00 0.00 H new ATOM 135 N PRO A 524 23.038 19.322 -17.652 1.00 0.00 N ATOM 136 CA PRO A 524 22.652 20.622 -18.219 1.00 0.00 C ATOM 137 C PRO A 524 21.184 21.015 -17.917 1.00 0.00 C ATOM 138 O PRO A 524 20.336 20.143 -17.700 1.00 0.00 O ATOM 139 CB PRO A 524 22.930 20.513 -19.724 1.00 0.00 C ATOM 140 CG PRO A 524 22.873 19.015 -20.007 1.00 0.00 C ATOM 141 CD PRO A 524 23.387 18.391 -18.714 1.00 0.00 C ATOM 0 HA PRO A 524 23.229 21.426 -17.761 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.187 21.057 -20.307 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.904 20.930 -19.980 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.859 18.688 -20.236 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.495 18.743 -20.859 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.931 17.416 -18.543 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.465 18.235 -18.758 1.00 0.00 H new ATOM 149 N PRO A 525 20.854 22.324 -17.912 1.00 0.00 N ATOM 150 CA PRO A 525 19.570 22.843 -17.427 1.00 0.00 C ATOM 151 C PRO A 525 18.395 22.521 -18.367 1.00 0.00 C ATOM 152 O PRO A 525 18.325 23.024 -19.489 1.00 0.00 O ATOM 153 CB PRO A 525 19.781 24.356 -17.276 1.00 0.00 C ATOM 154 CG PRO A 525 20.868 24.677 -18.301 1.00 0.00 C ATOM 155 CD PRO A 525 21.741 23.425 -18.267 1.00 0.00 C ATOM 0 HA PRO A 525 19.292 22.371 -16.485 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.864 24.910 -17.478 1.00 0.00 H new ATOM 0 HB3 PRO A 525 20.095 24.617 -16.265 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.451 24.853 -19.292 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.430 25.570 -18.029 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.210 23.251 -19.235 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.544 23.529 -17.537 1.00 0.00 H new ATOM 163 N GLY A 526 17.439 21.710 -17.899 1.00 0.00 N ATOM 164 CA GLY A 526 16.215 21.374 -18.645 1.00 0.00 C ATOM 165 C GLY A 526 16.445 20.559 -19.929 1.00 0.00 C ATOM 166 O GLY A 526 15.665 20.674 -20.877 1.00 0.00 O ATOM 0 H GLY A 526 17.491 21.263 -16.984 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.550 20.812 -17.989 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.700 22.299 -18.906 1.00 0.00 H new ATOM 170 N TRP A 527 17.506 19.745 -19.959 1.00 0.00 N ATOM 171 CA TRP A 527 17.927 18.904 -21.088 1.00 0.00 C ATOM 172 C TRP A 527 17.992 17.417 -20.696 1.00 0.00 C ATOM 173 O TRP A 527 18.087 17.064 -19.518 1.00 0.00 O ATOM 174 CB TRP A 527 19.311 19.372 -21.576 1.00 0.00 C ATOM 175 CG TRP A 527 19.339 20.482 -22.582 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.546 21.790 -22.310 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.225 20.395 -24.038 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.541 22.519 -23.484 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.356 21.708 -24.583 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.047 19.337 -24.955 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.302 21.960 -25.962 1.00 0.00 C ATOM 182 CZ3 TRP A 527 18.985 19.579 -26.343 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.114 20.885 -26.847 1.00 0.00 C ATOM 0 H TRP A 527 18.127 19.649 -19.156 1.00 0.00 H new ATOM 0 HA TRP A 527 17.189 19.005 -21.884 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.887 19.688 -20.707 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.827 18.513 -22.005 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.693 22.203 -21.323 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.659 23.531 -23.531 1.00 0.00 H new ATOM 0 HE3 TRP A 527 18.957 18.325 -24.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.404 22.967 -26.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.837 18.754 -27.024 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.069 21.062 -27.912 1.00 0.00 H new ATOM 194 N GLU A 528 18.011 16.546 -21.703 1.00 0.00 N ATOM 195 CA GLU A 528 18.291 15.110 -21.591 1.00 0.00 C ATOM 196 C GLU A 528 19.357 14.717 -22.637 1.00 0.00 C ATOM 197 O GLU A 528 19.490 15.366 -23.676 1.00 0.00 O ATOM 198 CB GLU A 528 16.959 14.342 -21.728 1.00 0.00 C ATOM 199 CG GLU A 528 17.061 12.810 -21.751 1.00 0.00 C ATOM 200 CD GLU A 528 17.594 12.242 -20.422 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.816 12.356 -20.168 1.00 0.00 O ATOM 202 OE2 GLU A 528 16.799 11.683 -19.629 1.00 0.00 O ATOM 0 H GLU A 528 17.824 16.832 -22.664 1.00 0.00 H new ATOM 0 HA GLU A 528 18.710 14.849 -20.619 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.310 14.630 -20.901 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.469 14.667 -22.646 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.079 12.385 -21.958 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.718 12.504 -22.565 1.00 0.00 H new ATOM 209 N ILE A 529 20.163 13.694 -22.342 1.00 0.00 N ATOM 210 CA ILE A 529 21.388 13.344 -23.083 1.00 0.00 C ATOM 211 C ILE A 529 21.564 11.824 -23.062 1.00 0.00 C ATOM 212 O ILE A 529 21.561 11.218 -21.985 1.00 0.00 O ATOM 213 CB ILE A 529 22.663 14.012 -22.488 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.485 15.442 -21.922 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.744 14.040 -23.582 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.012 15.448 -20.458 1.00 0.00 C ATOM 0 H ILE A 529 19.980 13.066 -21.560 1.00 0.00 H new ATOM 0 HA ILE A 529 21.272 13.715 -24.101 1.00 0.00 H new ATOM 0 HB ILE A 529 22.937 13.404 -21.626 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.431 15.978 -21.996 1.00 0.00 H new ATOM 0 HG13 ILE A 529 21.764 15.983 -22.534 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.648 14.504 -23.188 1.00 0.00 H new ATOM 0 HG22 ILE A 529 23.968 13.021 -23.899 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.383 14.614 -24.435 1.00 0.00 H new ATOM 0 HD11 ILE A 529 21.905 16.477 -20.115 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.051 14.939 -20.384 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.745 14.933 -19.837 1.00 0.00 H new ATOM 228 N ARG A 530 21.716 11.195 -24.235 1.00 0.00 N ATOM 229 CA ARG A 530 21.759 9.725 -24.378 1.00 0.00 C ATOM 230 C ARG A 530 22.833 9.247 -25.357 1.00 0.00 C ATOM 231 O ARG A 530 23.364 10.025 -26.150 1.00 0.00 O ATOM 232 CB ARG A 530 20.361 9.183 -24.752 1.00 0.00 C ATOM 233 CG ARG A 530 19.321 9.461 -23.650 1.00 0.00 C ATOM 234 CD ARG A 530 18.111 8.510 -23.689 1.00 0.00 C ATOM 235 NE ARG A 530 17.890 7.875 -22.371 1.00 0.00 N ATOM 236 CZ ARG A 530 18.604 6.905 -21.822 1.00 0.00 C ATOM 237 NH1 ARG A 530 19.539 6.270 -22.473 1.00 0.00 N ATOM 238 NH2 ARG A 530 18.398 6.554 -20.586 1.00 0.00 N ATOM 0 H ARG A 530 21.814 11.691 -25.121 1.00 0.00 H new ATOM 0 HA ARG A 530 22.045 9.316 -23.409 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.032 9.641 -25.685 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.424 8.109 -24.929 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.805 9.380 -22.677 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.968 10.488 -23.746 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.219 9.063 -23.984 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.273 7.741 -24.444 1.00 0.00 H new ATOM 0 HE ARG A 530 17.101 8.223 -21.826 1.00 0.00 H new ATOM 0 HH11 ARG A 530 19.743 6.515 -23.442 1.00 0.00 H new ATOM 0 HH12 ARG A 530 20.067 5.528 -22.013 1.00 0.00 H new ATOM 0 HH21 ARG A 530 17.683 7.027 -20.034 1.00 0.00 H new ATOM 0 HH22 ARG A 530 18.952 5.806 -20.169 1.00 0.00 H new ATOM 252 N TYR A 531 23.125 7.948 -25.287 1.00 0.00 N ATOM 253 CA TYR A 531 24.216 7.260 -25.982 1.00 0.00 C ATOM 254 C TYR A 531 23.642 6.032 -26.708 1.00 0.00 C ATOM 255 O TYR A 531 23.127 5.116 -26.059 1.00 0.00 O ATOM 256 CB TYR A 531 25.292 6.827 -24.965 1.00 0.00 C ATOM 257 CG TYR A 531 25.887 7.922 -24.091 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.191 8.375 -22.950 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.166 8.439 -24.377 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.752 9.361 -22.116 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.744 9.403 -23.528 1.00 0.00 C ATOM 262 CZ TYR A 531 27.037 9.873 -22.400 1.00 0.00 C ATOM 263 OH TYR A 531 27.594 10.823 -21.602 1.00 0.00 O ATOM 0 H TYR A 531 22.576 7.310 -24.711 1.00 0.00 H new ATOM 0 HA TYR A 531 24.677 7.929 -26.708 1.00 0.00 H new ATOM 0 HB2 TYR A 531 24.858 6.069 -24.313 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.105 6.349 -25.512 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.221 7.962 -22.715 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.704 8.096 -25.248 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.201 9.725 -21.261 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.732 9.784 -23.741 1.00 0.00 H new ATOM 0 HH TYR A 531 28.481 11.059 -21.945 1.00 0.00 H new ATOM 273 N THR A 532 23.668 6.012 -28.044 1.00 0.00 N ATOM 274 CA THR A 532 23.090 4.906 -28.836 1.00 0.00 C ATOM 275 C THR A 532 24.052 3.717 -28.953 1.00 0.00 C ATOM 276 O THR A 532 25.263 3.843 -28.742 1.00 0.00 O ATOM 277 CB THR A 532 22.646 5.352 -30.241 1.00 0.00 C ATOM 278 OG1 THR A 532 23.758 5.621 -31.065 1.00 0.00 O ATOM 279 CG2 THR A 532 21.735 6.579 -30.223 1.00 0.00 C ATOM 0 H THR A 532 24.085 6.752 -28.609 1.00 0.00 H new ATOM 0 HA THR A 532 22.204 4.587 -28.286 1.00 0.00 H new ATOM 0 HB THR A 532 22.075 4.516 -30.645 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.448 5.900 -31.952 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.458 6.842 -31.244 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.836 6.356 -29.649 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.261 7.416 -29.763 1.00 0.00 H new ATOM 287 N ALA A 533 23.528 2.551 -29.349 1.00 0.00 N ATOM 288 CA ALA A 533 24.308 1.326 -29.574 1.00 0.00 C ATOM 289 C ALA A 533 25.388 1.439 -30.681 1.00 0.00 C ATOM 290 O ALA A 533 26.271 0.582 -30.766 1.00 0.00 O ATOM 291 CB ALA A 533 23.324 0.184 -29.862 1.00 0.00 C ATOM 0 H ALA A 533 22.531 2.429 -29.526 1.00 0.00 H new ATOM 0 HA ALA A 533 24.883 1.130 -28.669 1.00 0.00 H new ATOM 0 HB1 ALA A 533 23.878 -0.739 -30.033 1.00 0.00 H new ATOM 0 HB2 ALA A 533 22.657 0.054 -29.009 1.00 0.00 H new ATOM 0 HB3 ALA A 533 22.737 0.424 -30.748 1.00 0.00 H new ATOM 297 N ALA A 534 25.353 2.495 -31.506 1.00 0.00 N ATOM 298 CA ALA A 534 26.404 2.825 -32.475 1.00 0.00 C ATOM 299 C ALA A 534 27.676 3.428 -31.829 1.00 0.00 C ATOM 300 O ALA A 534 28.692 3.590 -32.511 1.00 0.00 O ATOM 301 CB ALA A 534 25.814 3.782 -33.520 1.00 0.00 C ATOM 0 H ALA A 534 24.577 3.156 -31.517 1.00 0.00 H new ATOM 0 HA ALA A 534 26.733 1.897 -32.942 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.580 4.040 -34.251 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.979 3.298 -34.026 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.463 4.688 -33.026 1.00 0.00 H new ATOM 307 N GLY A 535 27.638 3.769 -30.533 1.00 0.00 N ATOM 308 CA GLY A 535 28.751 4.395 -29.810 1.00 0.00 C ATOM 309 C GLY A 535 28.791 5.920 -29.967 1.00 0.00 C ATOM 310 O GLY A 535 29.873 6.502 -30.062 1.00 0.00 O ATOM 0 H GLY A 535 26.817 3.614 -29.948 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.674 4.147 -28.751 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.691 3.974 -30.168 1.00 0.00 H new ATOM 314 N GLU A 536 27.623 6.567 -30.038 1.00 0.00 N ATOM 315 CA GLU A 536 27.467 7.998 -30.342 1.00 0.00 C ATOM 316 C GLU A 536 26.503 8.684 -29.364 1.00 0.00 C ATOM 317 O GLU A 536 25.485 8.104 -28.973 1.00 0.00 O ATOM 318 CB GLU A 536 26.933 8.162 -31.778 1.00 0.00 C ATOM 319 CG GLU A 536 27.929 7.773 -32.882 1.00 0.00 C ATOM 320 CD GLU A 536 29.060 8.797 -33.115 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.301 9.694 -32.272 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.700 8.733 -34.193 1.00 0.00 O ATOM 0 H GLU A 536 26.731 6.097 -29.881 1.00 0.00 H new ATOM 0 HA GLU A 536 28.445 8.470 -30.243 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.034 7.555 -31.888 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.637 9.201 -31.924 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.374 6.811 -32.629 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.382 7.636 -33.815 1.00 0.00 H new ATOM 329 N ARG A 537 26.813 9.932 -28.988 1.00 0.00 N ATOM 330 CA ARG A 537 26.037 10.749 -28.038 1.00 0.00 C ATOM 331 C ARG A 537 25.176 11.790 -28.760 1.00 0.00 C ATOM 332 O ARG A 537 25.603 12.395 -29.745 1.00 0.00 O ATOM 333 CB ARG A 537 26.994 11.378 -27.004 1.00 0.00 C ATOM 334 CG ARG A 537 26.332 12.433 -26.095 1.00 0.00 C ATOM 335 CD ARG A 537 27.107 12.726 -24.803 1.00 0.00 C ATOM 336 NE ARG A 537 28.561 12.902 -25.006 1.00 0.00 N ATOM 337 CZ ARG A 537 29.216 14.024 -25.237 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.608 15.164 -25.398 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.516 14.020 -25.311 1.00 0.00 N ATOM 0 H ARG A 537 27.635 10.418 -29.346 1.00 0.00 H new ATOM 0 HA ARG A 537 25.335 10.109 -27.503 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.410 10.586 -26.381 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.829 11.840 -27.531 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.220 13.361 -26.656 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.329 12.094 -25.835 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.702 13.628 -24.344 1.00 0.00 H new ATOM 0 HD3 ARG A 537 26.944 11.910 -24.100 1.00 0.00 H new ATOM 0 HE ARG A 537 29.126 12.054 -24.962 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.590 15.211 -25.347 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.149 16.010 -25.575 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.031 13.148 -25.190 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.019 14.889 -25.490 1.00 0.00 H new ATOM 353 N PHE A 538 23.979 12.017 -28.223 1.00 0.00 N ATOM 354 CA PHE A 538 22.963 12.941 -28.733 1.00 0.00 C ATOM 355 C PHE A 538 22.261 13.668 -27.579 1.00 0.00 C ATOM 356 O PHE A 538 22.214 13.166 -26.451 1.00 0.00 O ATOM 357 CB PHE A 538 21.918 12.154 -29.540 1.00 0.00 C ATOM 358 CG PHE A 538 22.454 11.404 -30.745 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.978 10.106 -30.596 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.409 11.994 -32.020 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.453 9.404 -31.716 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.873 11.286 -33.145 1.00 0.00 C ATOM 363 CZ PHE A 538 23.394 9.990 -32.992 1.00 0.00 C ATOM 0 H PHE A 538 23.674 11.537 -27.376 1.00 0.00 H new ATOM 0 HA PHE A 538 23.453 13.679 -29.368 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.434 11.439 -28.875 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.148 12.847 -29.878 1.00 0.00 H new ATOM 0 HD1 PHE A 538 23.015 9.649 -29.618 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.017 12.994 -32.137 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.864 8.413 -31.596 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.829 11.739 -34.125 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.749 9.445 -33.854 1.00 0.00 H new ATOM 373 N PHE A 539 21.658 14.819 -27.878 1.00 0.00 N ATOM 374 CA PHE A 539 20.938 15.656 -26.917 1.00 0.00 C ATOM 375 C PHE A 539 19.452 15.760 -27.296 1.00 0.00 C ATOM 376 O PHE A 539 19.089 15.740 -28.476 1.00 0.00 O ATOM 377 CB PHE A 539 21.589 17.045 -26.856 1.00 0.00 C ATOM 378 CG PHE A 539 23.032 17.086 -26.383 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.087 16.826 -27.282 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.326 17.437 -25.051 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.423 16.916 -26.852 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.662 17.535 -24.623 1.00 0.00 C ATOM 383 CZ PHE A 539 25.710 17.282 -25.525 1.00 0.00 C ATOM 0 H PHE A 539 21.657 15.206 -28.822 1.00 0.00 H new ATOM 0 HA PHE A 539 20.996 15.198 -25.930 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.541 17.491 -27.850 1.00 0.00 H new ATOM 0 HB3 PHE A 539 20.993 17.675 -26.195 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.868 16.557 -28.305 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.523 17.632 -24.356 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.228 16.704 -27.540 1.00 0.00 H new ATOM 0 HE2 PHE A 539 24.883 17.805 -23.601 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.736 17.369 -25.199 1.00 0.00 H new ATOM 393 N VAL A 540 18.598 15.888 -26.279 1.00 0.00 N ATOM 394 CA VAL A 540 17.132 15.790 -26.339 1.00 0.00 C ATOM 395 C VAL A 540 16.520 16.961 -25.564 1.00 0.00 C ATOM 396 O VAL A 540 16.703 17.096 -24.352 1.00 0.00 O ATOM 397 CB VAL A 540 16.665 14.440 -25.749 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.135 14.323 -25.719 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.207 13.221 -26.510 1.00 0.00 C ATOM 0 H VAL A 540 18.928 16.074 -25.332 1.00 0.00 H new ATOM 0 HA VAL A 540 16.802 15.837 -27.377 1.00 0.00 H new ATOM 0 HB VAL A 540 17.069 14.436 -24.736 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.852 13.359 -25.297 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.721 15.123 -25.106 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.744 14.404 -26.733 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.840 12.307 -26.042 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.870 13.259 -27.546 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.297 13.230 -26.483 1.00 0.00 H new ATOM 409 N ASP A 541 15.787 17.818 -26.273 1.00 0.00 N ATOM 410 CA ASP A 541 15.199 19.053 -25.756 1.00 0.00 C ATOM 411 C ASP A 541 13.739 18.825 -25.324 1.00 0.00 C ATOM 412 O ASP A 541 12.791 19.033 -26.088 1.00 0.00 O ATOM 413 CB ASP A 541 15.335 20.172 -26.803 1.00 0.00 C ATOM 414 CG ASP A 541 15.009 21.565 -26.235 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.557 21.667 -25.069 1.00 0.00 O ATOM 416 OD2 ASP A 541 15.226 22.571 -26.952 1.00 0.00 O ATOM 0 H ASP A 541 15.579 17.666 -27.260 1.00 0.00 H new ATOM 0 HA ASP A 541 15.741 19.367 -24.864 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.352 20.174 -27.196 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.670 19.962 -27.641 1.00 0.00 H new ATOM 421 N HIS A 542 13.556 18.359 -24.085 1.00 0.00 N ATOM 422 CA HIS A 542 12.244 18.052 -23.485 1.00 0.00 C ATOM 423 C HIS A 542 11.225 19.210 -23.520 1.00 0.00 C ATOM 424 O HIS A 542 10.022 18.971 -23.408 1.00 0.00 O ATOM 425 CB HIS A 542 12.446 17.541 -22.044 1.00 0.00 C ATOM 426 CG HIS A 542 12.088 16.085 -21.877 1.00 0.00 C ATOM 427 ND1 HIS A 542 10.895 15.601 -21.332 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.868 15.026 -22.242 1.00 0.00 C ATOM 429 CE1 HIS A 542 10.985 14.262 -21.377 1.00 0.00 C ATOM 430 NE2 HIS A 542 12.157 13.889 -21.920 1.00 0.00 N ATOM 0 H HIS A 542 14.334 18.178 -23.451 1.00 0.00 H new ATOM 0 HA HIS A 542 11.799 17.277 -24.109 1.00 0.00 H new ATOM 0 HB2 HIS A 542 13.487 17.689 -21.755 1.00 0.00 H new ATOM 0 HB3 HIS A 542 11.839 18.139 -21.364 1.00 0.00 H new ATOM 0 HD2 HIS A 542 13.848 15.070 -22.694 1.00 0.00 H new ATOM 0 HE1 HIS A 542 10.224 13.581 -21.027 1.00 0.00 H new ATOM 0 HE2 HIS A 542 12.467 12.929 -22.068 1.00 0.00 H new ATOM 437 N ASN A 543 11.679 20.454 -23.701 1.00 0.00 N ATOM 438 CA ASN A 543 10.826 21.644 -23.804 1.00 0.00 C ATOM 439 C ASN A 543 9.989 21.686 -25.103 1.00 0.00 C ATOM 440 O ASN A 543 8.916 22.292 -25.116 1.00 0.00 O ATOM 441 CB ASN A 543 11.705 22.902 -23.681 1.00 0.00 C ATOM 442 CG ASN A 543 12.561 22.896 -22.422 1.00 0.00 C ATOM 443 OD1 ASN A 543 12.101 23.181 -21.325 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.818 22.539 -22.540 1.00 0.00 N ATOM 0 H ASN A 543 12.673 20.667 -23.782 1.00 0.00 H new ATOM 0 HA ASN A 543 10.104 21.604 -22.988 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.352 22.976 -24.555 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.069 23.787 -23.679 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.416 22.498 -21.715 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.197 22.302 -23.457 1.00 0.00 H new ATOM 451 N THR A 544 10.460 21.049 -26.187 1.00 0.00 N ATOM 452 CA THR A 544 9.849 21.112 -27.539 1.00 0.00 C ATOM 453 C THR A 544 9.905 19.791 -28.323 1.00 0.00 C ATOM 454 O THR A 544 9.486 19.745 -29.484 1.00 0.00 O ATOM 455 CB THR A 544 10.512 22.206 -28.397 1.00 0.00 C ATOM 456 OG1 THR A 544 11.891 21.934 -28.525 1.00 0.00 O ATOM 457 CG2 THR A 544 10.355 23.614 -27.821 1.00 0.00 C ATOM 0 H THR A 544 11.293 20.462 -26.155 1.00 0.00 H new ATOM 0 HA THR A 544 8.800 21.341 -27.352 1.00 0.00 H new ATOM 0 HB THR A 544 10.004 22.186 -29.361 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.312 22.629 -29.072 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.846 24.332 -28.477 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.296 23.859 -27.743 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.811 23.655 -26.832 1.00 0.00 H new ATOM 465 N ARG A 545 10.415 18.707 -27.715 1.00 0.00 N ATOM 466 CA ARG A 545 10.651 17.373 -28.316 1.00 0.00 C ATOM 467 C ARG A 545 11.752 17.327 -29.395 1.00 0.00 C ATOM 468 O ARG A 545 11.967 16.276 -30.002 1.00 0.00 O ATOM 469 CB ARG A 545 9.314 16.752 -28.797 1.00 0.00 C ATOM 470 CG ARG A 545 9.017 15.425 -28.086 1.00 0.00 C ATOM 471 CD ARG A 545 7.727 14.727 -28.555 1.00 0.00 C ATOM 472 NE ARG A 545 6.570 15.643 -28.656 1.00 0.00 N ATOM 473 CZ ARG A 545 5.959 16.296 -27.683 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.185 16.075 -26.420 1.00 0.00 N ATOM 475 NH2 ARG A 545 5.079 17.210 -27.975 1.00 0.00 N ATOM 0 H ARG A 545 10.691 18.734 -26.734 1.00 0.00 H new ATOM 0 HA ARG A 545 11.057 16.752 -27.518 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.500 17.453 -28.614 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.356 16.587 -29.874 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.858 14.749 -28.239 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.947 15.609 -27.014 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.904 14.267 -29.527 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.485 13.922 -27.861 1.00 0.00 H new ATOM 0 HE ARG A 545 6.197 15.789 -29.594 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.864 15.367 -26.140 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.683 16.610 -25.711 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.865 17.418 -28.950 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.604 17.718 -27.229 1.00 0.00 H new ATOM 489 N ARG A 546 12.455 18.442 -29.627 1.00 0.00 N ATOM 490 CA ARG A 546 13.605 18.556 -30.547 1.00 0.00 C ATOM 491 C ARG A 546 14.824 17.751 -30.080 1.00 0.00 C ATOM 492 O ARG A 546 14.923 17.337 -28.926 1.00 0.00 O ATOM 493 CB ARG A 546 13.968 20.047 -30.713 1.00 0.00 C ATOM 494 CG ARG A 546 13.071 20.787 -31.721 1.00 0.00 C ATOM 495 CD ARG A 546 13.323 20.392 -33.190 1.00 0.00 C ATOM 496 NE ARG A 546 14.729 20.598 -33.607 1.00 0.00 N ATOM 497 CZ ARG A 546 15.330 21.744 -33.879 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.698 22.884 -33.875 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.602 21.763 -34.160 1.00 0.00 N ATOM 0 H ARG A 546 12.235 19.324 -29.165 1.00 0.00 H new ATOM 0 HA ARG A 546 13.311 18.130 -31.506 1.00 0.00 H new ATOM 0 HB2 ARG A 546 13.896 20.541 -29.744 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.006 20.127 -31.035 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.027 20.590 -31.476 1.00 0.00 H new ATOM 0 HG3 ARG A 546 13.227 21.860 -31.612 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.057 19.344 -33.330 1.00 0.00 H new ATOM 0 HD3 ARG A 546 12.668 20.976 -33.836 1.00 0.00 H new ATOM 0 HE ARG A 546 15.301 19.758 -33.695 1.00 0.00 H new ATOM 0 HH11 ARG A 546 13.702 22.914 -33.656 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.199 23.746 -34.091 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.135 20.893 -34.170 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.065 22.647 -34.370 1.00 0.00 H new ATOM 513 N THR A 547 15.782 17.576 -30.988 1.00 0.00 N ATOM 514 CA THR A 547 17.049 16.855 -30.778 1.00 0.00 C ATOM 515 C THR A 547 18.192 17.485 -31.579 1.00 0.00 C ATOM 516 O THR A 547 17.952 18.208 -32.551 1.00 0.00 O ATOM 517 CB THR A 547 16.922 15.377 -31.190 1.00 0.00 C ATOM 518 OG1 THR A 547 16.318 15.251 -32.466 1.00 0.00 O ATOM 519 CG2 THR A 547 16.079 14.571 -30.206 1.00 0.00 C ATOM 0 H THR A 547 15.699 17.947 -31.934 1.00 0.00 H new ATOM 0 HA THR A 547 17.273 16.922 -29.713 1.00 0.00 H new ATOM 0 HB THR A 547 17.940 14.987 -31.204 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.105 14.310 -32.636 1.00 0.00 H new ATOM 0 HG21 THR A 547 16.020 13.535 -30.541 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.539 14.607 -29.218 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.076 14.994 -30.155 1.00 0.00 H new ATOM 527 N THR A 548 19.440 17.206 -31.191 1.00 0.00 N ATOM 528 CA THR A 548 20.653 17.688 -31.882 1.00 0.00 C ATOM 529 C THR A 548 21.887 16.829 -31.555 1.00 0.00 C ATOM 530 O THR A 548 21.914 16.090 -30.564 1.00 0.00 O ATOM 531 CB THR A 548 20.892 19.184 -31.574 1.00 0.00 C ATOM 532 OG1 THR A 548 22.084 19.653 -32.172 1.00 0.00 O ATOM 533 CG2 THR A 548 20.966 19.496 -30.082 1.00 0.00 C ATOM 0 H THR A 548 19.646 16.630 -30.375 1.00 0.00 H new ATOM 0 HA THR A 548 20.488 17.587 -32.955 1.00 0.00 H new ATOM 0 HB THR A 548 20.024 19.692 -31.993 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.205 20.602 -31.960 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.135 20.564 -29.941 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.029 19.211 -29.604 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.787 18.936 -29.634 1.00 0.00 H new ATOM 541 N PHE A 549 22.908 16.904 -32.413 1.00 0.00 N ATOM 542 CA PHE A 549 24.174 16.166 -32.314 1.00 0.00 C ATOM 543 C PHE A 549 25.184 16.797 -31.329 1.00 0.00 C ATOM 544 O PHE A 549 26.181 16.166 -30.976 1.00 0.00 O ATOM 545 CB PHE A 549 24.815 16.097 -33.716 1.00 0.00 C ATOM 546 CG PHE A 549 23.898 15.721 -34.875 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.959 14.680 -34.743 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.987 16.415 -36.099 1.00 0.00 C ATOM 549 CE1 PHE A 549 22.107 14.345 -35.810 1.00 0.00 C ATOM 550 CE2 PHE A 549 23.140 16.077 -37.171 1.00 0.00 C ATOM 551 CZ PHE A 549 22.197 15.044 -37.026 1.00 0.00 C ATOM 0 H PHE A 549 22.875 17.508 -33.234 1.00 0.00 H new ATOM 0 HA PHE A 549 23.937 15.175 -31.927 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.258 17.069 -33.935 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.631 15.375 -33.681 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.893 14.134 -33.814 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.709 17.210 -36.215 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.384 13.551 -35.695 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.214 16.612 -38.106 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.544 14.788 -37.847 1.00 0.00 H new ATOM 561 N GLU A 550 24.956 18.044 -30.905 1.00 0.00 N ATOM 562 CA GLU A 550 25.893 18.864 -30.117 1.00 0.00 C ATOM 563 C GLU A 550 25.153 19.856 -29.188 1.00 0.00 C ATOM 564 O GLU A 550 23.964 19.693 -28.926 1.00 0.00 O ATOM 565 CB GLU A 550 26.891 19.552 -31.075 1.00 0.00 C ATOM 566 CG GLU A 550 26.275 20.597 -32.019 1.00 0.00 C ATOM 567 CD GLU A 550 27.315 21.095 -33.041 1.00 0.00 C ATOM 568 OE1 GLU A 550 28.198 21.908 -32.671 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.261 20.683 -34.225 1.00 0.00 O ATOM 0 H GLU A 550 24.083 18.532 -31.106 1.00 0.00 H new ATOM 0 HA GLU A 550 26.461 18.221 -29.444 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.667 20.035 -30.481 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.380 18.786 -31.676 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.423 20.163 -32.543 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.897 21.439 -31.439 1.00 0.00 H new ATOM 756 N PRO B2325 18.896 7.995 -35.792 1.00 0.00 N ATOM 757 CA PRO B2325 18.137 9.196 -35.452 1.00 0.00 C ATOM 758 C PRO B2325 17.762 9.202 -33.957 1.00 0.00 C ATOM 759 O PRO B2325 17.152 8.235 -33.483 1.00 0.00 O ATOM 760 CB PRO B2325 16.906 9.181 -36.366 1.00 0.00 C ATOM 761 CG PRO B2325 16.706 7.703 -36.696 1.00 0.00 C ATOM 762 CD PRO B2325 18.131 7.151 -36.701 1.00 0.00 C ATOM 0 HA PRO B2325 18.716 10.106 -35.607 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.033 9.600 -35.866 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.071 9.772 -37.267 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.084 7.205 -35.952 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.218 7.568 -37.662 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.147 6.111 -36.374 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.555 7.176 -37.705 1.00 0.00 H new ATOM 770 N PRO B2326 18.101 10.258 -33.191 1.00 0.00 N ATOM 771 CA PRO B2326 17.712 10.368 -31.789 1.00 0.00 C ATOM 772 C PRO B2326 16.195 10.598 -31.669 1.00 0.00 C ATOM 773 O PRO B2326 15.661 11.593 -32.161 1.00 0.00 O ATOM 774 CB PRO B2326 18.543 11.525 -31.225 1.00 0.00 C ATOM 775 CG PRO B2326 18.783 12.414 -32.443 1.00 0.00 C ATOM 776 CD PRO B2326 18.892 11.415 -33.592 1.00 0.00 C ATOM 0 HA PRO B2326 17.906 9.457 -31.223 1.00 0.00 H new ATOM 0 HB2 PRO B2326 18.009 12.057 -30.438 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.480 11.174 -30.793 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.963 13.116 -32.597 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.693 13.005 -32.336 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.514 11.844 -34.520 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.931 11.136 -33.770 1.00 0.00 H new ATOM 784 N SER B2327 15.509 9.672 -30.995 1.00 0.00 N ATOM 785 CA SER B2327 14.051 9.669 -30.806 1.00 0.00 C ATOM 786 C SER B2327 13.710 9.063 -29.441 1.00 0.00 C ATOM 787 O SER B2327 13.405 7.875 -29.336 1.00 0.00 O ATOM 788 CB SER B2327 13.335 8.898 -31.931 1.00 0.00 C ATOM 789 OG SER B2327 13.525 9.506 -33.200 1.00 0.00 O ATOM 0 H SER B2327 15.966 8.876 -30.550 1.00 0.00 H new ATOM 0 HA SER B2327 13.700 10.700 -30.843 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.706 7.874 -31.961 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.269 8.844 -31.711 1.00 0.00 H new ATOM 0 HG SER B2327 13.056 8.986 -33.886 1.00 0.00 H new ATOM 795 N TYR B2328 13.824 9.863 -28.377 1.00 0.00 N ATOM 796 CA TYR B2328 13.476 9.447 -27.013 1.00 0.00 C ATOM 797 C TYR B2328 11.970 9.660 -26.770 1.00 0.00 C ATOM 798 O TYR B2328 11.166 8.777 -27.072 1.00 0.00 O ATOM 799 CB TYR B2328 14.397 10.182 -26.022 1.00 0.00 C ATOM 800 CG TYR B2328 14.265 9.760 -24.568 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.505 8.419 -24.205 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.961 10.710 -23.572 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.444 8.029 -22.854 1.00 0.00 C ATOM 804 CE2 TYR B2328 13.906 10.324 -22.217 1.00 0.00 C ATOM 805 CZ TYR B2328 14.151 8.981 -21.855 1.00 0.00 C ATOM 806 OH TYR B2328 14.126 8.598 -20.549 1.00 0.00 O ATOM 0 H TYR B2328 14.162 10.823 -28.437 1.00 0.00 H new ATOM 0 HA TYR B2328 13.645 8.381 -26.861 1.00 0.00 H new ATOM 0 HB2 TYR B2328 15.431 10.031 -26.333 1.00 0.00 H new ATOM 0 HB3 TYR B2328 14.196 11.251 -26.091 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.736 7.689 -24.966 1.00 0.00 H new ATOM 0 HD2 TYR B2328 13.770 11.737 -23.848 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.622 6.999 -22.582 1.00 0.00 H new ATOM 0 HE2 TYR B2328 13.677 11.055 -21.456 1.00 0.00 H new ATOM 0 HH TYR B2328 13.910 9.370 -19.986 1.00 0.00 H new ATOM 816 N GLU B2329 11.571 10.863 -26.343 1.00 0.00 N ATOM 817 CA GLU B2329 10.169 11.291 -26.186 1.00 0.00 C ATOM 818 C GLU B2329 9.344 11.056 -27.465 1.00 0.00 C ATOM 819 O GLU B2329 8.244 10.511 -27.412 1.00 0.00 O ATOM 820 CB GLU B2329 10.153 12.784 -25.799 1.00 0.00 C ATOM 821 CG GLU B2329 9.555 13.088 -24.422 1.00 0.00 C ATOM 822 CD GLU B2329 8.015 13.117 -24.445 1.00 0.00 C ATOM 823 OE1 GLU B2329 7.443 13.969 -25.167 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.379 12.314 -23.722 1.00 0.00 O ATOM 0 H GLU B2329 12.235 11.594 -26.087 1.00 0.00 H new ATOM 0 HA GLU B2329 9.706 10.691 -25.402 1.00 0.00 H new ATOM 0 HB2 GLU B2329 11.175 13.162 -25.826 1.00 0.00 H new ATOM 0 HB3 GLU B2329 9.589 13.334 -26.553 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.891 12.336 -23.709 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.929 14.050 -24.071 1.00 0.00 H new ATOM 831 N ASP B2330 9.902 11.410 -28.630 1.00 0.00 N ATOM 832 CA ASP B2330 9.246 11.292 -29.940 1.00 0.00 C ATOM 833 C ASP B2330 8.950 9.837 -30.376 1.00 0.00 C ATOM 834 O ASP B2330 8.103 9.615 -31.245 1.00 0.00 O ATOM 835 CB ASP B2330 10.108 12.023 -30.981 1.00 0.00 C ATOM 836 CG ASP B2330 9.376 12.212 -32.323 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.347 12.929 -32.351 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.846 11.677 -33.356 1.00 0.00 O ATOM 0 H ASP B2330 10.844 11.796 -28.690 1.00 0.00 H new ATOM 0 HA ASP B2330 8.263 11.755 -29.858 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.398 12.998 -30.588 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.026 11.460 -31.148 1.00 0.00 H new ATOM 843 N CYS B2331 9.602 8.841 -29.759 1.00 0.00 N ATOM 844 CA CYS B2331 9.312 7.418 -29.972 1.00 0.00 C ATOM 845 C CYS B2331 8.304 6.872 -28.942 1.00 0.00 C ATOM 846 O CYS B2331 7.380 6.141 -29.313 1.00 0.00 O ATOM 847 CB CYS B2331 10.635 6.642 -29.919 1.00 0.00 C ATOM 848 SG CYS B2331 10.380 4.896 -30.352 1.00 0.00 S ATOM 0 H CYS B2331 10.355 9.004 -29.090 1.00 0.00 H new ATOM 0 HA CYS B2331 8.845 7.292 -30.949 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.352 7.090 -30.607 1.00 0.00 H new ATOM 0 HB3 CYS B2331 11.064 6.714 -28.919 1.00 0.00 H new ATOM 0 HG CYS B2331 11.516 4.266 -30.301 1.00 0.00 H new ATOM 854 N ILE B2332 8.447 7.230 -27.657 1.00 0.00 N ATOM 855 CA ILE B2332 7.624 6.664 -26.570 1.00 0.00 C ATOM 856 C ILE B2332 6.206 7.262 -26.447 1.00 0.00 C ATOM 857 O ILE B2332 5.392 6.713 -25.697 1.00 0.00 O ATOM 858 CB ILE B2332 8.357 6.694 -25.208 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.620 8.125 -24.694 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.660 5.875 -25.288 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.918 8.183 -23.191 1.00 0.00 C ATOM 0 H ILE B2332 9.132 7.916 -27.340 1.00 0.00 H new ATOM 0 HA ILE B2332 7.476 5.625 -26.864 1.00 0.00 H new ATOM 0 HB ILE B2332 7.694 6.234 -24.475 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.461 8.552 -25.241 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.751 8.747 -24.910 1.00 0.00 H new ATOM 0 HG21 ILE B2332 10.167 5.903 -24.324 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.425 4.842 -25.544 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.310 6.300 -26.053 1.00 0.00 H new ATOM 0 HD11 ILE B2332 9.094 9.217 -22.895 1.00 0.00 H new ATOM 0 HD12 ILE B2332 8.068 7.786 -22.636 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.804 7.587 -22.973 1.00 0.00 H new