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 165:sc= 0 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0.135 K(o=0.14,f=-0.63) USER MOD Single : A 543 ASN : amide:sc= 1.19 K(o=1.2,f=-0.013) USER MOD Single : A 544 THR OG1 : rot -50:sc= 1.18 USER MOD Single : A 547 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0769 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 24.172 17.508 -14.401 1.00 0.00 N ATOM 117 CA LEU A 523 23.531 17.487 -15.726 1.00 0.00 C ATOM 118 C LEU A 523 23.097 18.901 -16.205 1.00 0.00 C ATOM 119 O LEU A 523 22.845 19.778 -15.369 1.00 0.00 O ATOM 120 CB LEU A 523 22.391 16.441 -15.727 1.00 0.00 C ATOM 121 CG LEU A 523 21.028 16.890 -15.147 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.925 16.738 -16.197 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.629 16.055 -13.929 1.00 0.00 C ATOM 0 HA LEU A 523 24.263 17.175 -16.471 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.231 16.114 -16.755 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.729 15.571 -15.165 1.00 0.00 H new ATOM 0 HG LEU A 523 21.141 17.933 -14.852 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.973 17.058 -15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.161 17.354 -17.065 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.854 15.694 -16.502 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.667 16.400 -13.550 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.551 15.007 -14.217 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.385 16.162 -13.151 1.00 0.00 H new ATOM 135 N PRO A 524 22.990 19.151 -17.528 1.00 0.00 N ATOM 136 CA PRO A 524 22.577 20.448 -18.079 1.00 0.00 C ATOM 137 C PRO A 524 21.098 20.800 -17.788 1.00 0.00 C ATOM 138 O PRO A 524 20.269 19.904 -17.596 1.00 0.00 O ATOM 139 CB PRO A 524 22.870 20.367 -19.583 1.00 0.00 C ATOM 140 CG PRO A 524 22.833 18.872 -19.883 1.00 0.00 C ATOM 141 CD PRO A 524 23.363 18.242 -18.600 1.00 0.00 C ATOM 0 HA PRO A 524 23.129 21.258 -17.602 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.125 20.910 -20.165 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.841 20.799 -19.825 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.822 18.532 -20.110 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.455 18.619 -20.742 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.931 17.254 -18.442 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.444 18.114 -18.645 1.00 0.00 H new ATOM 149 N PRO A 525 20.736 22.100 -17.765 1.00 0.00 N ATOM 150 CA PRO A 525 19.430 22.578 -17.298 1.00 0.00 C ATOM 151 C PRO A 525 18.285 22.251 -18.273 1.00 0.00 C ATOM 152 O PRO A 525 18.208 22.810 -19.368 1.00 0.00 O ATOM 153 CB PRO A 525 19.605 24.091 -17.103 1.00 0.00 C ATOM 154 CG PRO A 525 20.702 24.462 -18.100 1.00 0.00 C ATOM 155 CD PRO A 525 21.602 23.229 -18.084 1.00 0.00 C ATOM 0 HA PRO A 525 19.139 22.078 -16.375 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.680 24.630 -17.307 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.896 24.332 -16.080 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.298 24.655 -19.094 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.240 25.360 -17.795 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.086 23.088 -19.050 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.394 23.334 -17.343 1.00 0.00 H new ATOM 163 N GLY A 526 17.366 21.368 -17.869 1.00 0.00 N ATOM 164 CA GLY A 526 16.170 21.017 -18.652 1.00 0.00 C ATOM 165 C GLY A 526 16.450 20.227 -19.942 1.00 0.00 C ATOM 166 O GLY A 526 15.677 20.325 -20.898 1.00 0.00 O ATOM 0 H GLY A 526 17.429 20.870 -16.981 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.500 20.431 -18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.642 21.934 -18.912 1.00 0.00 H new ATOM 170 N TRP A 527 17.539 19.452 -19.967 1.00 0.00 N ATOM 171 CA TRP A 527 18.002 18.638 -21.101 1.00 0.00 C ATOM 172 C TRP A 527 18.177 17.161 -20.699 1.00 0.00 C ATOM 173 O TRP A 527 18.354 16.828 -19.526 1.00 0.00 O ATOM 174 CB TRP A 527 19.344 19.198 -21.612 1.00 0.00 C ATOM 175 CG TRP A 527 19.289 20.341 -22.582 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.389 21.651 -22.267 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.195 20.295 -24.041 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.327 22.417 -23.415 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.210 21.632 -24.542 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.123 19.258 -24.997 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.135 21.925 -25.912 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.037 19.539 -26.375 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.042 20.868 -26.834 1.00 0.00 C ATOM 0 H TRP A 527 18.154 19.370 -19.157 1.00 0.00 H new ATOM 0 HA TRP A 527 17.250 18.685 -21.888 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.927 19.517 -20.748 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.892 18.382 -22.083 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.501 22.041 -21.266 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.363 23.436 -23.427 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.134 18.230 -24.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.149 22.949 -26.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.967 18.727 -27.084 1.00 0.00 H new ATOM 0 HH2 TRP A 527 18.975 21.076 -27.892 1.00 0.00 H new ATOM 194 N GLU A 528 18.201 16.280 -21.699 1.00 0.00 N ATOM 195 CA GLU A 528 18.583 14.864 -21.597 1.00 0.00 C ATOM 196 C GLU A 528 19.674 14.555 -22.639 1.00 0.00 C ATOM 197 O GLU A 528 19.773 15.215 -23.677 1.00 0.00 O ATOM 198 CB GLU A 528 17.316 13.988 -21.732 1.00 0.00 C ATOM 199 CG GLU A 528 17.488 12.493 -22.075 1.00 0.00 C ATOM 200 CD GLU A 528 18.146 11.641 -20.966 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.060 12.141 -20.269 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.776 10.449 -20.821 1.00 0.00 O ATOM 0 H GLU A 528 17.943 16.543 -22.650 1.00 0.00 H new ATOM 0 HA GLU A 528 19.016 14.635 -20.623 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.767 14.052 -20.792 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.685 14.434 -22.501 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.508 12.073 -22.302 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.089 12.410 -22.981 1.00 0.00 H new ATOM 209 N ILE A 529 20.523 13.571 -22.342 1.00 0.00 N ATOM 210 CA ILE A 529 21.746 13.249 -23.089 1.00 0.00 C ATOM 211 C ILE A 529 21.883 11.729 -23.141 1.00 0.00 C ATOM 212 O ILE A 529 21.903 11.071 -22.096 1.00 0.00 O ATOM 213 CB ILE A 529 23.022 13.865 -22.453 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.849 15.305 -21.918 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.145 13.839 -23.502 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.353 15.329 -20.463 1.00 0.00 C ATOM 0 H ILE A 529 20.375 12.951 -21.545 1.00 0.00 H new ATOM 0 HA ILE A 529 21.657 13.678 -24.087 1.00 0.00 H new ATOM 0 HB ILE A 529 23.260 13.258 -21.579 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.801 15.832 -21.984 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.142 15.843 -22.550 1.00 0.00 H new ATOM 0 HG21 ILE A 529 25.052 14.268 -23.075 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.338 12.809 -23.803 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.843 14.421 -24.373 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.247 16.362 -20.132 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.388 14.826 -20.399 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.072 14.816 -19.825 1.00 0.00 H new ATOM 228 N ARG A 530 21.955 11.163 -24.350 1.00 0.00 N ATOM 229 CA ARG A 530 21.924 9.707 -24.572 1.00 0.00 C ATOM 230 C ARG A 530 23.046 9.261 -25.508 1.00 0.00 C ATOM 231 O ARG A 530 23.606 10.062 -26.257 1.00 0.00 O ATOM 232 CB ARG A 530 20.538 9.255 -25.087 1.00 0.00 C ATOM 233 CG ARG A 530 19.337 9.778 -24.266 1.00 0.00 C ATOM 234 CD ARG A 530 18.282 8.715 -23.922 1.00 0.00 C ATOM 235 NE ARG A 530 18.412 8.282 -22.517 1.00 0.00 N ATOM 236 CZ ARG A 530 19.045 7.233 -22.028 1.00 0.00 C ATOM 237 NH1 ARG A 530 19.626 6.342 -22.784 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.111 7.064 -20.739 1.00 0.00 N ATOM 0 H ARG A 530 22.037 11.703 -25.211 1.00 0.00 H new ATOM 0 HA ARG A 530 22.094 9.219 -23.612 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.425 9.585 -26.120 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.507 8.165 -25.095 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.710 10.213 -23.339 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.855 10.581 -24.824 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.284 9.119 -24.092 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.395 7.856 -24.584 1.00 0.00 H new ATOM 0 HE ARG A 530 17.948 8.876 -21.829 1.00 0.00 H new ATOM 0 HH11 ARG A 530 19.602 6.441 -23.799 1.00 0.00 H new ATOM 0 HH12 ARG A 530 20.104 5.547 -22.360 1.00 0.00 H new ATOM 0 HH21 ARG A 530 18.675 7.741 -20.113 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.599 6.255 -20.355 1.00 0.00 H new ATOM 252 N TYR A 531 23.348 7.966 -25.466 1.00 0.00 N ATOM 253 CA TYR A 531 24.478 7.336 -26.149 1.00 0.00 C ATOM 254 C TYR A 531 23.962 6.118 -26.932 1.00 0.00 C ATOM 255 O TYR A 531 23.627 5.089 -26.337 1.00 0.00 O ATOM 256 CB TYR A 531 25.558 6.938 -25.123 1.00 0.00 C ATOM 257 CG TYR A 531 26.099 8.051 -24.235 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.402 8.426 -23.067 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.334 8.662 -24.533 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.928 9.410 -22.207 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.877 9.629 -23.661 1.00 0.00 C ATOM 262 CZ TYR A 531 27.174 10.004 -22.494 1.00 0.00 C ATOM 263 OH TYR A 531 27.695 10.925 -21.637 1.00 0.00 O ATOM 0 H TYR A 531 22.790 7.298 -24.934 1.00 0.00 H new ATOM 0 HA TYR A 531 24.937 8.033 -26.850 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.147 6.159 -24.481 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.395 6.496 -25.664 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.459 7.956 -22.831 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.866 8.389 -25.432 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.377 9.709 -21.328 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.831 10.083 -23.886 1.00 0.00 H new ATOM 0 HH TYR A 531 28.644 11.060 -21.839 1.00 0.00 H new ATOM 273 N THR A 532 23.815 6.242 -28.254 1.00 0.00 N ATOM 274 CA THR A 532 23.300 5.153 -29.107 1.00 0.00 C ATOM 275 C THR A 532 24.307 4.002 -29.197 1.00 0.00 C ATOM 276 O THR A 532 25.518 4.230 -29.251 1.00 0.00 O ATOM 277 CB THR A 532 22.942 5.645 -30.523 1.00 0.00 C ATOM 278 OG1 THR A 532 24.027 6.301 -31.143 1.00 0.00 O ATOM 279 CG2 THR A 532 21.767 6.623 -30.510 1.00 0.00 C ATOM 0 H THR A 532 24.047 7.093 -28.766 1.00 0.00 H new ATOM 0 HA THR A 532 22.386 4.792 -28.635 1.00 0.00 H new ATOM 0 HB THR A 532 22.676 4.747 -31.081 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.762 6.597 -32.039 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.549 6.944 -31.529 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.890 6.132 -30.089 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.023 7.491 -29.903 1.00 0.00 H new ATOM 287 N ALA A 533 23.819 2.758 -29.274 1.00 0.00 N ATOM 288 CA ALA A 533 24.649 1.542 -29.305 1.00 0.00 C ATOM 289 C ALA A 533 25.667 1.481 -30.470 1.00 0.00 C ATOM 290 O ALA A 533 26.668 0.765 -30.387 1.00 0.00 O ATOM 291 CB ALA A 533 23.709 0.329 -29.323 1.00 0.00 C ATOM 0 H ALA A 533 22.819 2.562 -29.317 1.00 0.00 H new ATOM 0 HA ALA A 533 25.273 1.547 -28.411 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.298 -0.588 -29.346 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.087 0.338 -28.428 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.074 0.374 -30.207 1.00 0.00 H new ATOM 297 N ALA A 534 25.437 2.253 -31.539 1.00 0.00 N ATOM 298 CA ALA A 534 26.354 2.430 -32.669 1.00 0.00 C ATOM 299 C ALA A 534 27.623 3.262 -32.348 1.00 0.00 C ATOM 300 O ALA A 534 28.542 3.302 -33.170 1.00 0.00 O ATOM 301 CB ALA A 534 25.551 3.050 -33.820 1.00 0.00 C ATOM 0 H ALA A 534 24.576 2.790 -31.644 1.00 0.00 H new ATOM 0 HA ALA A 534 26.749 1.451 -32.941 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.203 3.197 -34.681 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.733 2.383 -34.094 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.145 4.011 -33.504 1.00 0.00 H new ATOM 307 N GLY A 535 27.698 3.915 -31.178 1.00 0.00 N ATOM 308 CA GLY A 535 28.916 4.560 -30.664 1.00 0.00 C ATOM 309 C GLY A 535 28.942 6.094 -30.752 1.00 0.00 C ATOM 310 O GLY A 535 30.006 6.666 -30.994 1.00 0.00 O ATOM 0 H GLY A 535 26.899 4.011 -30.551 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.046 4.271 -29.621 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.772 4.168 -31.212 1.00 0.00 H new ATOM 314 N GLU A 536 27.802 6.771 -30.580 1.00 0.00 N ATOM 315 CA GLU A 536 27.677 8.239 -30.679 1.00 0.00 C ATOM 316 C GLU A 536 26.784 8.829 -29.572 1.00 0.00 C ATOM 317 O GLU A 536 25.877 8.162 -29.069 1.00 0.00 O ATOM 318 CB GLU A 536 27.103 8.634 -32.055 1.00 0.00 C ATOM 319 CG GLU A 536 28.037 8.378 -33.250 1.00 0.00 C ATOM 320 CD GLU A 536 29.355 9.185 -33.219 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.454 10.210 -32.500 1.00 0.00 O ATOM 322 OE2 GLU A 536 30.298 8.818 -33.962 1.00 0.00 O ATOM 0 H GLU A 536 26.919 6.309 -30.363 1.00 0.00 H new ATOM 0 HA GLU A 536 28.679 8.649 -30.556 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.175 8.085 -32.215 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.847 9.693 -32.034 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.277 7.315 -33.286 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.502 8.615 -34.170 1.00 0.00 H new ATOM 329 N ARG A 537 27.021 10.101 -29.218 1.00 0.00 N ATOM 330 CA ARG A 537 26.241 10.873 -28.231 1.00 0.00 C ATOM 331 C ARG A 537 25.308 11.871 -28.928 1.00 0.00 C ATOM 332 O ARG A 537 25.682 12.500 -29.919 1.00 0.00 O ATOM 333 CB ARG A 537 27.199 11.547 -27.222 1.00 0.00 C ATOM 334 CG ARG A 537 26.534 12.628 -26.342 1.00 0.00 C ATOM 335 CD ARG A 537 27.267 12.951 -25.031 1.00 0.00 C ATOM 336 NE ARG A 537 28.722 13.160 -25.182 1.00 0.00 N ATOM 337 CZ ARG A 537 29.598 13.260 -24.195 1.00 0.00 C ATOM 338 NH1 ARG A 537 29.234 13.280 -22.942 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.873 13.335 -24.443 1.00 0.00 N ATOM 0 H ARG A 537 27.786 10.641 -29.623 1.00 0.00 H new ATOM 0 HA ARG A 537 25.595 10.199 -27.668 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.626 10.780 -26.575 1.00 0.00 H new ATOM 0 HB3 ARG A 537 28.026 11.999 -27.770 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.447 13.545 -26.925 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.521 12.305 -26.102 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.827 13.847 -24.594 1.00 0.00 H new ATOM 0 HD3 ARG A 537 27.100 12.137 -24.325 1.00 0.00 H new ATOM 0 HE ARG A 537 29.084 13.234 -26.133 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.246 13.217 -22.697 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.938 13.358 -22.208 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.207 13.317 -25.407 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.539 13.412 -23.674 1.00 0.00 H new ATOM 353 N PHE A 538 24.114 12.037 -28.362 1.00 0.00 N ATOM 354 CA PHE A 538 23.060 12.945 -28.820 1.00 0.00 C ATOM 355 C PHE A 538 22.386 13.649 -27.634 1.00 0.00 C ATOM 356 O PHE A 538 22.412 13.155 -26.503 1.00 0.00 O ATOM 357 CB PHE A 538 22.010 12.145 -29.606 1.00 0.00 C ATOM 358 CG PHE A 538 22.506 11.549 -30.908 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.459 12.315 -32.087 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.998 10.230 -30.951 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.883 11.760 -33.308 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.427 9.678 -32.171 1.00 0.00 C ATOM 363 CZ PHE A 538 23.366 10.443 -33.349 1.00 0.00 C ATOM 0 H PHE A 538 23.840 11.516 -27.529 1.00 0.00 H new ATOM 0 HA PHE A 538 23.509 13.705 -29.459 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.639 11.339 -28.972 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.163 12.797 -29.821 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.096 13.332 -32.055 1.00 0.00 H new ATOM 0 HD2 PHE A 538 23.046 9.642 -30.046 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.837 12.347 -34.213 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.803 8.666 -32.203 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.691 10.017 -34.286 1.00 0.00 H new ATOM 373 N PHE A 539 21.731 14.777 -27.911 1.00 0.00 N ATOM 374 CA PHE A 539 21.055 15.616 -26.921 1.00 0.00 C ATOM 375 C PHE A 539 19.564 15.756 -27.261 1.00 0.00 C ATOM 376 O PHE A 539 19.176 15.759 -28.433 1.00 0.00 O ATOM 377 CB PHE A 539 21.744 16.988 -26.859 1.00 0.00 C ATOM 378 CG PHE A 539 23.202 16.960 -26.433 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.216 16.701 -27.377 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.549 17.206 -25.091 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.564 16.667 -26.979 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.899 17.184 -24.694 1.00 0.00 C ATOM 383 CZ PHE A 539 25.906 16.909 -25.636 1.00 0.00 C ATOM 0 H PHE A 539 21.654 15.143 -28.860 1.00 0.00 H new ATOM 0 HA PHE A 539 21.124 15.146 -25.940 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.678 17.455 -27.842 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.192 17.623 -26.167 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.956 16.528 -28.411 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.777 17.412 -24.364 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.336 16.455 -27.704 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.162 17.379 -23.665 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.941 16.884 -25.329 1.00 0.00 H new ATOM 393 N VAL A 540 18.735 15.876 -26.223 1.00 0.00 N ATOM 394 CA VAL A 540 17.269 15.768 -26.261 1.00 0.00 C ATOM 395 C VAL A 540 16.645 16.898 -25.437 1.00 0.00 C ATOM 396 O VAL A 540 16.920 17.041 -24.244 1.00 0.00 O ATOM 397 CB VAL A 540 16.833 14.402 -25.685 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.308 14.247 -25.635 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.396 13.205 -26.466 1.00 0.00 C ATOM 0 H VAL A 540 19.083 16.061 -25.282 1.00 0.00 H new ATOM 0 HA VAL A 540 16.930 15.848 -27.294 1.00 0.00 H new ATOM 0 HB VAL A 540 17.244 14.398 -24.676 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.055 13.270 -25.223 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.883 15.028 -25.005 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.900 14.332 -26.642 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.051 12.278 -26.009 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.051 13.250 -27.499 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.485 13.237 -26.445 1.00 0.00 H new ATOM 409 N ASP A 541 15.770 17.679 -26.068 1.00 0.00 N ATOM 410 CA ASP A 541 15.047 18.799 -25.465 1.00 0.00 C ATOM 411 C ASP A 541 13.580 18.420 -25.208 1.00 0.00 C ATOM 412 O ASP A 541 12.767 18.348 -26.132 1.00 0.00 O ATOM 413 CB ASP A 541 15.146 20.028 -26.382 1.00 0.00 C ATOM 414 CG ASP A 541 14.303 21.178 -25.823 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.678 21.738 -24.769 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.229 21.475 -26.394 1.00 0.00 O ATOM 0 H ASP A 541 15.536 17.544 -27.052 1.00 0.00 H new ATOM 0 HA ASP A 541 15.499 19.042 -24.503 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.186 20.341 -26.471 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.803 19.771 -27.384 1.00 0.00 H new ATOM 421 N HIS A 542 13.221 18.184 -23.943 1.00 0.00 N ATOM 422 CA HIS A 542 11.838 17.870 -23.548 1.00 0.00 C ATOM 423 C HIS A 542 10.869 19.061 -23.681 1.00 0.00 C ATOM 424 O HIS A 542 9.651 18.875 -23.697 1.00 0.00 O ATOM 425 CB HIS A 542 11.819 17.341 -22.105 1.00 0.00 C ATOM 426 CG HIS A 542 12.678 16.122 -21.847 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.327 15.846 -20.640 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.918 15.097 -22.718 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.943 14.665 -20.813 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.723 14.197 -22.053 1.00 0.00 N ATOM 0 H HIS A 542 13.877 18.204 -23.162 1.00 0.00 H new ATOM 0 HA HIS A 542 11.484 17.108 -24.242 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.144 18.140 -21.439 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.790 17.102 -21.838 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.549 15.009 -23.729 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.533 14.162 -20.061 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.089 13.325 -22.436 1.00 0.00 H new ATOM 437 N ASN A 543 11.389 20.291 -23.772 1.00 0.00 N ATOM 438 CA ASN A 543 10.591 21.523 -23.811 1.00 0.00 C ATOM 439 C ASN A 543 9.843 21.716 -25.149 1.00 0.00 C ATOM 440 O ASN A 543 8.742 22.271 -25.165 1.00 0.00 O ATOM 441 CB ASN A 543 11.509 22.721 -23.503 1.00 0.00 C ATOM 442 CG ASN A 543 12.275 22.541 -22.200 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.734 22.662 -21.109 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.544 22.213 -22.273 1.00 0.00 N ATOM 0 H ASN A 543 12.393 20.461 -23.821 1.00 0.00 H new ATOM 0 HA ASN A 543 9.813 21.447 -23.052 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.216 22.854 -24.322 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.910 23.630 -23.447 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.081 22.059 -21.420 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.993 22.113 -23.183 1.00 0.00 H new ATOM 451 N THR A 544 10.414 21.229 -26.258 1.00 0.00 N ATOM 452 CA THR A 544 9.875 21.350 -27.633 1.00 0.00 C ATOM 453 C THR A 544 9.960 20.044 -28.444 1.00 0.00 C ATOM 454 O THR A 544 9.671 20.033 -29.645 1.00 0.00 O ATOM 455 CB THR A 544 10.572 22.489 -28.404 1.00 0.00 C ATOM 456 OG1 THR A 544 11.940 22.210 -28.607 1.00 0.00 O ATOM 457 CG2 THR A 544 10.470 23.851 -27.717 1.00 0.00 C ATOM 0 H THR A 544 11.297 20.720 -26.229 1.00 0.00 H new ATOM 0 HA THR A 544 8.817 21.582 -27.513 1.00 0.00 H new ATOM 0 HB THR A 544 10.040 22.543 -29.354 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.350 21.949 -27.756 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.983 24.601 -28.318 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.421 24.127 -27.611 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.933 23.797 -26.732 1.00 0.00 H new ATOM 465 N ARG A 545 10.349 18.935 -27.794 1.00 0.00 N ATOM 466 CA ARG A 545 10.584 17.585 -28.355 1.00 0.00 C ATOM 467 C ARG A 545 11.762 17.488 -29.348 1.00 0.00 C ATOM 468 O ARG A 545 11.906 16.473 -30.034 1.00 0.00 O ATOM 469 CB ARG A 545 9.268 17.014 -28.931 1.00 0.00 C ATOM 470 CG ARG A 545 9.112 15.505 -28.670 1.00 0.00 C ATOM 471 CD ARG A 545 8.107 14.848 -29.624 1.00 0.00 C ATOM 472 NE ARG A 545 6.768 15.465 -29.577 1.00 0.00 N ATOM 473 CZ ARG A 545 5.797 15.282 -30.456 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.919 14.498 -31.490 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.659 15.899 -30.310 1.00 0.00 N ATOM 0 H ARG A 545 10.521 18.955 -26.789 1.00 0.00 H new ATOM 0 HA ARG A 545 10.906 16.959 -27.523 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.423 17.544 -28.491 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.236 17.198 -30.005 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.082 15.018 -28.776 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.788 15.348 -27.641 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.491 14.907 -30.642 1.00 0.00 H new ATOM 0 HD3 ARG A 545 8.021 13.790 -29.377 1.00 0.00 H new ATOM 0 HE ARG A 545 6.573 16.090 -28.795 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.792 13.994 -31.648 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.142 14.388 -32.141 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.516 16.524 -29.517 1.00 0.00 H new ATOM 0 HH22 ARG A 545 3.911 15.757 -30.989 1.00 0.00 H new ATOM 489 N ARG A 546 12.585 18.538 -29.466 1.00 0.00 N ATOM 490 CA ARG A 546 13.723 18.625 -30.406 1.00 0.00 C ATOM 491 C ARG A 546 14.932 17.792 -29.963 1.00 0.00 C ATOM 492 O ARG A 546 15.037 17.359 -28.815 1.00 0.00 O ATOM 493 CB ARG A 546 14.109 20.106 -30.627 1.00 0.00 C ATOM 494 CG ARG A 546 13.422 20.727 -31.857 1.00 0.00 C ATOM 495 CD ARG A 546 11.892 20.696 -31.779 1.00 0.00 C ATOM 496 NE ARG A 546 11.261 21.225 -33.000 1.00 0.00 N ATOM 497 CZ ARG A 546 9.962 21.268 -33.236 1.00 0.00 C ATOM 498 NH1 ARG A 546 9.084 20.869 -32.357 1.00 0.00 N ATOM 499 NH2 ARG A 546 9.516 21.714 -34.375 1.00 0.00 N ATOM 0 H ARG A 546 12.479 19.377 -28.896 1.00 0.00 H new ATOM 0 HA ARG A 546 13.398 18.194 -31.353 1.00 0.00 H new ATOM 0 HB2 ARG A 546 13.844 20.682 -29.740 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.190 20.181 -30.744 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.752 21.760 -31.965 1.00 0.00 H new ATOM 0 HG3 ARG A 546 13.744 20.194 -32.752 1.00 0.00 H new ATOM 0 HD2 ARG A 546 11.559 19.671 -31.615 1.00 0.00 H new ATOM 0 HD3 ARG A 546 11.562 21.280 -30.920 1.00 0.00 H new ATOM 0 HE ARG A 546 11.879 21.589 -33.725 1.00 0.00 H new ATOM 0 HH11 ARG A 546 9.393 20.510 -31.454 1.00 0.00 H new ATOM 0 HH12 ARG A 546 8.088 20.916 -32.573 1.00 0.00 H new ATOM 0 HH21 ARG A 546 10.171 22.032 -35.090 1.00 0.00 H new ATOM 0 HH22 ARG A 546 8.512 21.745 -34.553 1.00 0.00 H new ATOM 513 N THR A 547 15.868 17.604 -30.889 1.00 0.00 N ATOM 514 CA THR A 547 17.120 16.851 -30.706 1.00 0.00 C ATOM 515 C THR A 547 18.263 17.469 -31.513 1.00 0.00 C ATOM 516 O THR A 547 18.026 18.154 -32.512 1.00 0.00 O ATOM 517 CB THR A 547 16.958 15.381 -31.137 1.00 0.00 C ATOM 518 OG1 THR A 547 16.379 15.281 -32.426 1.00 0.00 O ATOM 519 CG2 THR A 547 16.067 14.587 -30.183 1.00 0.00 C ATOM 0 H THR A 547 15.777 17.986 -31.830 1.00 0.00 H new ATOM 0 HA THR A 547 17.358 16.895 -29.643 1.00 0.00 H new ATOM 0 HB THR A 547 17.966 14.967 -31.130 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.291 14.337 -32.673 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.986 13.558 -30.533 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.503 14.598 -29.184 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.075 15.038 -30.151 1.00 0.00 H new ATOM 527 N THR A 548 19.511 17.221 -31.106 1.00 0.00 N ATOM 528 CA THR A 548 20.714 17.741 -31.788 1.00 0.00 C ATOM 529 C THR A 548 21.967 16.899 -31.496 1.00 0.00 C ATOM 530 O THR A 548 22.002 16.095 -30.558 1.00 0.00 O ATOM 531 CB THR A 548 20.916 19.237 -31.459 1.00 0.00 C ATOM 532 OG1 THR A 548 22.079 19.744 -32.081 1.00 0.00 O ATOM 533 CG2 THR A 548 21.009 19.532 -29.964 1.00 0.00 C ATOM 0 H THR A 548 19.724 16.650 -30.288 1.00 0.00 H new ATOM 0 HA THR A 548 20.551 17.656 -32.862 1.00 0.00 H new ATOM 0 HB THR A 548 20.024 19.730 -31.845 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.182 20.693 -31.858 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.150 20.602 -29.812 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.089 19.214 -29.473 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.854 18.991 -29.538 1.00 0.00 H new ATOM 541 N PHE A 549 22.990 17.055 -32.340 1.00 0.00 N ATOM 542 CA PHE A 549 24.251 16.303 -32.326 1.00 0.00 C ATOM 543 C PHE A 549 25.299 16.887 -31.354 1.00 0.00 C ATOM 544 O PHE A 549 26.311 16.245 -31.068 1.00 0.00 O ATOM 545 CB PHE A 549 24.834 16.297 -33.756 1.00 0.00 C ATOM 546 CG PHE A 549 23.873 16.014 -34.908 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.803 15.108 -34.763 1.00 0.00 C ATOM 548 CD2 PHE A 549 24.054 16.667 -36.144 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.923 14.860 -35.832 1.00 0.00 C ATOM 550 CE2 PHE A 549 23.175 16.421 -37.215 1.00 0.00 C ATOM 551 CZ PHE A 549 22.109 15.518 -37.060 1.00 0.00 C ATOM 0 H PHE A 549 22.961 17.745 -33.091 1.00 0.00 H new ATOM 0 HA PHE A 549 24.026 15.295 -31.978 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.297 17.268 -33.935 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.630 15.553 -33.792 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.657 14.599 -33.822 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.872 17.360 -36.270 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.106 14.165 -35.709 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.320 16.927 -38.158 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.435 15.330 -37.882 1.00 0.00 H new ATOM 561 N GLU A 550 25.080 18.110 -30.863 1.00 0.00 N ATOM 562 CA GLU A 550 26.025 18.903 -30.059 1.00 0.00 C ATOM 563 C GLU A 550 25.286 19.873 -29.107 1.00 0.00 C ATOM 564 O GLU A 550 24.083 19.739 -28.893 1.00 0.00 O ATOM 565 CB GLU A 550 27.015 19.623 -31.004 1.00 0.00 C ATOM 566 CG GLU A 550 26.379 20.673 -31.929 1.00 0.00 C ATOM 567 CD GLU A 550 27.432 21.271 -32.882 1.00 0.00 C ATOM 568 OE1 GLU A 550 28.175 22.196 -32.470 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.524 20.827 -34.053 1.00 0.00 O ATOM 0 H GLU A 550 24.199 18.600 -31.020 1.00 0.00 H new ATOM 0 HA GLU A 550 26.598 18.240 -29.411 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.782 20.108 -30.401 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.517 18.876 -31.618 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.576 20.216 -32.507 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.930 21.466 -31.332 1.00 0.00 H new ATOM 756 N PRO B2325 18.940 7.893 -35.643 1.00 0.00 N ATOM 757 CA PRO B2325 18.280 9.143 -35.275 1.00 0.00 C ATOM 758 C PRO B2325 17.859 9.136 -33.790 1.00 0.00 C ATOM 759 O PRO B2325 17.235 8.166 -33.340 1.00 0.00 O ATOM 760 CB PRO B2325 17.072 9.259 -36.214 1.00 0.00 C ATOM 761 CG PRO B2325 16.743 7.810 -36.570 1.00 0.00 C ATOM 762 CD PRO B2325 18.111 7.129 -36.567 1.00 0.00 C ATOM 0 HA PRO B2325 18.944 10.000 -35.382 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.231 9.751 -35.725 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.311 9.844 -37.102 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.068 7.360 -35.842 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.258 7.735 -37.543 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.028 6.090 -36.249 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.546 7.123 -37.567 1.00 0.00 H new ATOM 770 N PRO B2326 18.160 10.193 -33.010 1.00 0.00 N ATOM 771 CA PRO B2326 17.699 10.312 -31.629 1.00 0.00 C ATOM 772 C PRO B2326 16.183 10.573 -31.580 1.00 0.00 C ATOM 773 O PRO B2326 15.686 11.540 -32.161 1.00 0.00 O ATOM 774 CB PRO B2326 18.517 11.460 -31.029 1.00 0.00 C ATOM 775 CG PRO B2326 18.815 12.348 -32.236 1.00 0.00 C ATOM 776 CD PRO B2326 18.973 11.346 -33.377 1.00 0.00 C ATOM 0 HA PRO B2326 17.847 9.396 -31.058 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.956 11.996 -30.264 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.432 11.099 -30.559 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.005 13.052 -32.428 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.721 12.937 -32.089 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.640 11.774 -34.322 1.00 0.00 H new ATOM 0 HD3 PRO B2326 20.018 11.062 -33.506 1.00 0.00 H new ATOM 784 N SER B2327 15.455 9.717 -30.858 1.00 0.00 N ATOM 785 CA SER B2327 13.991 9.769 -30.702 1.00 0.00 C ATOM 786 C SER B2327 13.595 9.251 -29.315 1.00 0.00 C ATOM 787 O SER B2327 13.287 8.072 -29.147 1.00 0.00 O ATOM 788 CB SER B2327 13.276 8.953 -31.796 1.00 0.00 C ATOM 789 OG SER B2327 13.482 9.500 -33.089 1.00 0.00 O ATOM 0 H SER B2327 15.878 8.942 -30.348 1.00 0.00 H new ATOM 0 HA SER B2327 13.679 10.808 -30.805 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.638 7.925 -31.776 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.208 8.919 -31.583 1.00 0.00 H new ATOM 0 HG SER B2327 13.014 8.953 -33.754 1.00 0.00 H new ATOM 795 N TYR B2328 13.658 10.119 -28.300 1.00 0.00 N ATOM 796 CA TYR B2328 13.243 9.793 -26.930 1.00 0.00 C ATOM 797 C TYR B2328 11.714 9.931 -26.787 1.00 0.00 C ATOM 798 O TYR B2328 10.983 8.977 -27.064 1.00 0.00 O ATOM 799 CB TYR B2328 14.057 10.653 -25.950 1.00 0.00 C ATOM 800 CG TYR B2328 13.830 10.343 -24.480 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.330 9.148 -23.928 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.133 11.254 -23.663 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.129 8.859 -22.563 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.913 10.961 -22.303 1.00 0.00 C ATOM 805 CZ TYR B2328 13.414 9.764 -21.747 1.00 0.00 C ATOM 806 OH TYR B2328 13.203 9.493 -20.430 1.00 0.00 O ATOM 0 H TYR B2328 14.000 11.074 -28.406 1.00 0.00 H new ATOM 0 HA TYR B2328 13.457 8.752 -26.688 1.00 0.00 H new ATOM 0 HB2 TYR B2328 15.116 10.526 -26.173 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.818 11.702 -26.126 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.869 8.451 -24.552 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.766 12.180 -24.080 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.522 7.946 -22.141 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.360 11.653 -21.685 1.00 0.00 H new ATOM 0 HH TYR B2328 12.695 10.225 -20.023 1.00 0.00 H new ATOM 816 N GLU B2329 11.198 11.125 -26.462 1.00 0.00 N ATOM 817 CA GLU B2329 9.747 11.382 -26.400 1.00 0.00 C ATOM 818 C GLU B2329 9.054 11.142 -27.747 1.00 0.00 C ATOM 819 O GLU B2329 7.968 10.571 -27.783 1.00 0.00 O ATOM 820 CB GLU B2329 9.453 12.803 -25.897 1.00 0.00 C ATOM 821 CG GLU B2329 9.583 12.898 -24.371 1.00 0.00 C ATOM 822 CD GLU B2329 9.149 14.281 -23.849 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.667 15.305 -24.352 1.00 0.00 O ATOM 824 OE2 GLU B2329 8.295 14.346 -22.932 1.00 0.00 O ATOM 0 H GLU B2329 11.770 11.939 -26.235 1.00 0.00 H new ATOM 0 HA GLU B2329 9.337 10.667 -25.687 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.141 13.506 -26.366 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.446 13.095 -26.196 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.973 12.125 -23.905 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.616 12.707 -24.081 1.00 0.00 H new ATOM 831 N ASP B2330 9.701 11.494 -28.863 1.00 0.00 N ATOM 832 CA ASP B2330 9.145 11.298 -30.210 1.00 0.00 C ATOM 833 C ASP B2330 8.969 9.816 -30.617 1.00 0.00 C ATOM 834 O ASP B2330 8.301 9.526 -31.612 1.00 0.00 O ATOM 835 CB ASP B2330 9.993 12.077 -31.227 1.00 0.00 C ATOM 836 CG ASP B2330 9.199 12.389 -32.506 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.140 13.053 -32.398 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.647 12.012 -33.616 1.00 0.00 O ATOM 0 H ASP B2330 10.626 11.923 -28.860 1.00 0.00 H new ATOM 0 HA ASP B2330 8.129 11.693 -30.199 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.338 13.008 -30.777 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.880 11.497 -31.481 1.00 0.00 H new ATOM 843 N CYS B2331 9.518 8.875 -29.835 1.00 0.00 N ATOM 844 CA CYS B2331 9.240 7.441 -29.951 1.00 0.00 C ATOM 845 C CYS B2331 8.187 6.965 -28.927 1.00 0.00 C ATOM 846 O CYS B2331 7.288 6.202 -29.290 1.00 0.00 O ATOM 847 CB CYS B2331 10.565 6.682 -29.791 1.00 0.00 C ATOM 848 SG CYS B2331 10.346 4.910 -30.127 1.00 0.00 S ATOM 0 H CYS B2331 10.180 9.096 -29.091 1.00 0.00 H new ATOM 0 HA CYS B2331 8.810 7.237 -30.932 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.309 7.095 -30.472 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.947 6.819 -28.779 1.00 0.00 H new ATOM 0 HG CYS B2331 11.484 4.298 -29.985 1.00 0.00 H new ATOM 854 N ILE B2332 8.260 7.418 -27.664 1.00 0.00 N ATOM 855 CA ILE B2332 7.380 6.923 -26.582 1.00 0.00 C ATOM 856 C ILE B2332 5.993 7.600 -26.496 1.00 0.00 C ATOM 857 O ILE B2332 5.137 7.107 -25.755 1.00 0.00 O ATOM 858 CB ILE B2332 8.087 6.912 -25.206 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.423 8.319 -24.676 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.348 6.028 -25.255 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.573 8.368 -23.151 1.00 0.00 C ATOM 0 H ILE B2332 8.923 8.132 -27.362 1.00 0.00 H new ATOM 0 HA ILE B2332 7.172 5.893 -26.870 1.00 0.00 H new ATOM 0 HB ILE B2332 7.376 6.487 -24.498 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.349 8.663 -25.137 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.639 9.012 -24.980 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.833 6.032 -24.279 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.067 5.008 -25.517 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.037 6.418 -26.004 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.809 9.386 -22.841 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.640 8.054 -22.683 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.377 7.699 -22.843 1.00 0.00 H new