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 -59:sc= 0.359 USER MOD Single : A 542 HIS : no HD1:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 543 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0053) USER MOD Single : A 544 THR OG1 : rot -34:sc= 2.04 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0176 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 24.288 17.747 -14.345 1.00 0.00 N ATOM 117 CA LEU A 523 23.631 17.717 -15.661 1.00 0.00 C ATOM 118 C LEU A 523 23.200 19.127 -16.157 1.00 0.00 C ATOM 119 O LEU A 523 22.969 20.021 -15.333 1.00 0.00 O ATOM 120 CB LEU A 523 22.487 16.674 -15.636 1.00 0.00 C ATOM 121 CG LEU A 523 21.118 17.142 -15.087 1.00 0.00 C ATOM 122 CD1 LEU A 523 20.024 16.938 -16.137 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.714 16.358 -13.837 1.00 0.00 C ATOM 0 HA LEU A 523 24.353 17.396 -16.412 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.338 16.312 -16.653 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.818 15.824 -15.040 1.00 0.00 H new ATOM 0 HG LEU A 523 21.223 18.198 -14.838 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.067 17.272 -15.735 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.264 17.515 -17.030 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.960 15.881 -16.395 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.748 16.715 -13.480 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.643 15.298 -14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.464 16.502 -13.059 1.00 0.00 H new ATOM 135 N PRO A 524 23.073 19.350 -17.482 1.00 0.00 N ATOM 136 CA PRO A 524 22.639 20.626 -18.067 1.00 0.00 C ATOM 137 C PRO A 524 21.161 20.979 -17.767 1.00 0.00 C ATOM 138 O PRO A 524 20.343 20.085 -17.528 1.00 0.00 O ATOM 139 CB PRO A 524 22.901 20.494 -19.574 1.00 0.00 C ATOM 140 CG PRO A 524 22.876 18.988 -19.824 1.00 0.00 C ATOM 141 CD PRO A 524 23.449 18.418 -18.532 1.00 0.00 C ATOM 0 HA PRO A 524 23.194 21.453 -17.624 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.138 21.008 -20.158 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.861 20.929 -19.852 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.865 18.626 -20.011 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.479 18.712 -20.689 1.00 0.00 H new ATOM 0 HD2 PRO A 524 23.049 17.424 -18.333 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.533 18.319 -18.596 1.00 0.00 H new ATOM 149 N PRO A 525 20.787 22.276 -17.799 1.00 0.00 N ATOM 150 CA PRO A 525 19.472 22.759 -17.363 1.00 0.00 C ATOM 151 C PRO A 525 18.343 22.383 -18.339 1.00 0.00 C ATOM 152 O PRO A 525 18.279 22.892 -19.459 1.00 0.00 O ATOM 153 CB PRO A 525 19.629 24.280 -17.228 1.00 0.00 C ATOM 154 CG PRO A 525 20.729 24.622 -18.231 1.00 0.00 C ATOM 155 CD PRO A 525 21.641 23.400 -18.164 1.00 0.00 C ATOM 0 HA PRO A 525 19.177 22.294 -16.423 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.700 24.800 -17.460 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.909 24.565 -16.214 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.329 24.774 -19.234 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.256 25.536 -17.957 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.127 23.224 -19.123 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.431 23.544 -17.427 1.00 0.00 H new ATOM 163 N GLY A 526 17.423 21.512 -17.910 1.00 0.00 N ATOM 164 CA GLY A 526 16.248 21.110 -18.701 1.00 0.00 C ATOM 165 C GLY A 526 16.569 20.311 -19.976 1.00 0.00 C ATOM 166 O GLY A 526 15.798 20.356 -20.937 1.00 0.00 O ATOM 0 H GLY A 526 17.471 21.061 -16.997 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.591 20.511 -18.070 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.693 22.005 -18.981 1.00 0.00 H new ATOM 170 N TRP A 527 17.693 19.588 -19.984 1.00 0.00 N ATOM 171 CA TRP A 527 18.201 18.781 -21.102 1.00 0.00 C ATOM 172 C TRP A 527 18.412 17.313 -20.686 1.00 0.00 C ATOM 173 O TRP A 527 18.520 16.977 -19.505 1.00 0.00 O ATOM 174 CB TRP A 527 19.524 19.386 -21.609 1.00 0.00 C ATOM 175 CG TRP A 527 19.432 20.499 -22.610 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.538 21.818 -22.338 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.294 20.410 -24.068 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.451 22.550 -23.509 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.312 21.731 -24.605 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.183 19.347 -24.985 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.217 21.983 -25.987 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.079 19.586 -26.373 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.100 20.900 -26.872 1.00 0.00 C ATOM 0 H TRP A 527 18.306 19.546 -19.170 1.00 0.00 H new ATOM 0 HA TRP A 527 17.460 18.794 -21.902 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.080 19.753 -20.746 1.00 0.00 H new ATOM 0 HB3 TRP A 527 20.115 18.583 -22.050 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.671 22.239 -21.352 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.486 23.568 -23.554 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.177 18.331 -24.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.234 22.996 -26.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.983 18.754 -27.055 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.026 21.076 -27.935 1.00 0.00 H new ATOM 194 N GLU A 528 18.512 16.441 -21.685 1.00 0.00 N ATOM 195 CA GLU A 528 18.716 14.992 -21.577 1.00 0.00 C ATOM 196 C GLU A 528 19.794 14.562 -22.594 1.00 0.00 C ATOM 197 O GLU A 528 19.950 15.191 -23.643 1.00 0.00 O ATOM 198 CB GLU A 528 17.337 14.334 -21.785 1.00 0.00 C ATOM 199 CG GLU A 528 17.294 12.826 -22.064 1.00 0.00 C ATOM 200 CD GLU A 528 17.752 12.002 -20.852 1.00 0.00 C ATOM 201 OE1 GLU A 528 17.060 12.003 -19.807 1.00 0.00 O ATOM 202 OE2 GLU A 528 18.816 11.349 -20.952 1.00 0.00 O ATOM 0 H GLU A 528 18.449 16.743 -22.657 1.00 0.00 H new ATOM 0 HA GLU A 528 19.091 14.675 -20.604 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.737 14.526 -20.895 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.847 14.842 -22.616 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.279 12.537 -22.336 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.930 12.597 -22.919 1.00 0.00 H new ATOM 209 N ILE A 529 20.574 13.524 -22.269 1.00 0.00 N ATOM 210 CA ILE A 529 21.787 13.124 -23.002 1.00 0.00 C ATOM 211 C ILE A 529 21.842 11.598 -23.084 1.00 0.00 C ATOM 212 O ILE A 529 21.860 10.908 -22.060 1.00 0.00 O ATOM 213 CB ILE A 529 23.100 13.645 -22.357 1.00 0.00 C ATOM 214 CG1 ILE A 529 23.062 15.089 -21.811 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.216 13.562 -23.411 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.547 15.185 -20.370 1.00 0.00 C ATOM 0 H ILE A 529 20.376 12.922 -21.469 1.00 0.00 H new ATOM 0 HA ILE A 529 21.720 13.574 -23.992 1.00 0.00 H new ATOM 0 HB ILE A 529 23.268 13.010 -21.487 1.00 0.00 H new ATOM 0 HG12 ILE A 529 24.065 15.514 -21.859 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.427 15.696 -22.456 1.00 0.00 H new ATOM 0 HG21 ILE A 529 25.150 13.923 -22.981 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.339 12.527 -23.729 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.951 14.177 -24.271 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.547 16.228 -20.052 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.532 14.791 -20.319 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.195 14.605 -19.713 1.00 0.00 H new ATOM 228 N ARG A 530 21.864 11.069 -24.308 1.00 0.00 N ATOM 229 CA ARG A 530 21.679 9.638 -24.604 1.00 0.00 C ATOM 230 C ARG A 530 22.787 9.147 -25.539 1.00 0.00 C ATOM 231 O ARG A 530 23.264 9.886 -26.401 1.00 0.00 O ATOM 232 CB ARG A 530 20.268 9.422 -25.196 1.00 0.00 C ATOM 233 CG ARG A 530 19.116 9.769 -24.221 1.00 0.00 C ATOM 234 CD ARG A 530 18.527 8.592 -23.428 1.00 0.00 C ATOM 235 NE ARG A 530 19.531 7.715 -22.790 1.00 0.00 N ATOM 236 CZ ARG A 530 19.991 7.773 -21.550 1.00 0.00 C ATOM 237 NH1 ARG A 530 19.774 8.768 -20.740 1.00 0.00 N ATOM 238 NH2 ARG A 530 20.699 6.786 -21.079 1.00 0.00 N ATOM 0 H ARG A 530 22.014 11.633 -25.145 1.00 0.00 H new ATOM 0 HA ARG A 530 21.752 9.049 -23.690 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.165 10.030 -26.095 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.169 8.381 -25.503 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.478 10.514 -23.512 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.312 10.236 -24.791 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.865 8.986 -22.656 1.00 0.00 H new ATOM 0 HD3 ARG A 530 17.913 7.991 -24.098 1.00 0.00 H new ATOM 0 HE ARG A 530 19.916 6.975 -23.377 1.00 0.00 H new ATOM 0 HH11 ARG A 530 19.220 9.566 -21.050 1.00 0.00 H new ATOM 0 HH12 ARG A 530 20.158 8.750 -19.795 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.896 5.975 -21.665 1.00 0.00 H new ATOM 0 HH22 ARG A 530 21.056 6.825 -20.124 1.00 0.00 H new ATOM 252 N TYR A 531 23.195 7.895 -25.345 1.00 0.00 N ATOM 253 CA TYR A 531 24.380 7.277 -25.952 1.00 0.00 C ATOM 254 C TYR A 531 23.957 5.987 -26.666 1.00 0.00 C ATOM 255 O TYR A 531 23.665 4.969 -26.030 1.00 0.00 O ATOM 256 CB TYR A 531 25.445 7.006 -24.872 1.00 0.00 C ATOM 257 CG TYR A 531 26.091 8.236 -24.253 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.415 8.982 -23.266 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.398 8.605 -24.631 1.00 0.00 C ATOM 260 CE1 TYR A 531 26.026 10.111 -22.684 1.00 0.00 C ATOM 261 CE2 TYR A 531 28.020 9.720 -24.036 1.00 0.00 C ATOM 262 CZ TYR A 531 27.332 10.482 -23.069 1.00 0.00 C ATOM 263 OH TYR A 531 27.925 11.576 -22.521 1.00 0.00 O ATOM 0 H TYR A 531 22.690 7.253 -24.735 1.00 0.00 H new ATOM 0 HA TYR A 531 24.823 7.951 -26.686 1.00 0.00 H new ATOM 0 HB2 TYR A 531 24.986 6.421 -24.075 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.230 6.389 -25.310 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.424 8.687 -22.954 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.924 8.031 -25.379 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.495 10.692 -21.944 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.026 9.992 -24.321 1.00 0.00 H new ATOM 0 HH TYR A 531 28.823 11.685 -22.898 1.00 0.00 H new ATOM 273 N THR A 532 23.842 6.059 -27.992 1.00 0.00 N ATOM 274 CA THR A 532 23.336 4.959 -28.833 1.00 0.00 C ATOM 275 C THR A 532 24.316 3.778 -28.897 1.00 0.00 C ATOM 276 O THR A 532 25.534 3.935 -28.755 1.00 0.00 O ATOM 277 CB THR A 532 23.020 5.436 -30.267 1.00 0.00 C ATOM 278 OG1 THR A 532 24.181 5.857 -30.948 1.00 0.00 O ATOM 279 CG2 THR A 532 21.971 6.547 -30.320 1.00 0.00 C ATOM 0 H THR A 532 24.099 6.890 -28.525 1.00 0.00 H new ATOM 0 HA THR A 532 22.415 4.620 -28.359 1.00 0.00 H new ATOM 0 HB THR A 532 22.603 4.563 -30.769 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.603 6.590 -30.453 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.797 6.834 -31.357 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.039 6.189 -29.882 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.327 7.411 -29.759 1.00 0.00 H new ATOM 287 N ALA A 533 23.796 2.578 -29.186 1.00 0.00 N ATOM 288 CA ALA A 533 24.592 1.353 -29.351 1.00 0.00 C ATOM 289 C ALA A 533 25.593 1.395 -30.533 1.00 0.00 C ATOM 290 O ALA A 533 26.491 0.553 -30.613 1.00 0.00 O ATOM 291 CB ALA A 533 23.617 0.173 -29.478 1.00 0.00 C ATOM 0 H ALA A 533 22.795 2.428 -29.314 1.00 0.00 H new ATOM 0 HA ALA A 533 25.227 1.243 -28.472 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.180 -0.752 -29.602 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.005 0.108 -28.578 1.00 0.00 H new ATOM 0 HB3 ALA A 533 22.973 0.325 -30.344 1.00 0.00 H new ATOM 297 N ALA A 534 25.471 2.383 -31.431 1.00 0.00 N ATOM 298 CA ALA A 534 26.436 2.662 -32.502 1.00 0.00 C ATOM 299 C ALA A 534 27.704 3.409 -32.019 1.00 0.00 C ATOM 300 O ALA A 534 28.623 3.635 -32.812 1.00 0.00 O ATOM 301 CB ALA A 534 25.711 3.451 -33.601 1.00 0.00 C ATOM 0 H ALA A 534 24.679 3.025 -31.432 1.00 0.00 H new ATOM 0 HA ALA A 534 26.803 1.710 -32.886 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.407 3.671 -34.410 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.882 2.859 -33.987 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.329 4.384 -33.187 1.00 0.00 H new ATOM 307 N GLY A 535 27.766 3.804 -30.739 1.00 0.00 N ATOM 308 CA GLY A 535 28.908 4.507 -30.145 1.00 0.00 C ATOM 309 C GLY A 535 28.853 6.029 -30.320 1.00 0.00 C ATOM 310 O GLY A 535 29.899 6.667 -30.442 1.00 0.00 O ATOM 0 H GLY A 535 27.008 3.640 -30.076 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.954 4.274 -29.081 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.828 4.132 -30.593 1.00 0.00 H new ATOM 314 N GLU A 536 27.651 6.616 -30.366 1.00 0.00 N ATOM 315 CA GLU A 536 27.430 8.044 -30.646 1.00 0.00 C ATOM 316 C GLU A 536 26.472 8.681 -29.631 1.00 0.00 C ATOM 317 O GLU A 536 25.409 8.126 -29.325 1.00 0.00 O ATOM 318 CB GLU A 536 26.844 8.230 -32.056 1.00 0.00 C ATOM 319 CG GLU A 536 27.700 7.688 -33.208 1.00 0.00 C ATOM 320 CD GLU A 536 28.964 8.499 -33.554 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.379 9.410 -32.796 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.540 8.215 -34.633 1.00 0.00 O ATOM 0 H GLU A 536 26.785 6.102 -30.206 1.00 0.00 H new ATOM 0 HA GLU A 536 28.400 8.536 -30.572 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.869 7.743 -32.092 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.675 9.294 -32.222 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.002 6.670 -32.961 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.076 7.628 -34.100 1.00 0.00 H new ATOM 329 N ARG A 537 26.845 9.864 -29.127 1.00 0.00 N ATOM 330 CA ARG A 537 26.046 10.663 -28.188 1.00 0.00 C ATOM 331 C ARG A 537 25.146 11.655 -28.925 1.00 0.00 C ATOM 332 O ARG A 537 25.565 12.281 -29.898 1.00 0.00 O ATOM 333 CB ARG A 537 26.995 11.377 -27.205 1.00 0.00 C ATOM 334 CG ARG A 537 26.263 12.216 -26.139 1.00 0.00 C ATOM 335 CD ARG A 537 26.087 13.693 -26.535 1.00 0.00 C ATOM 336 NE ARG A 537 27.217 14.509 -26.052 1.00 0.00 N ATOM 337 CZ ARG A 537 28.136 15.139 -26.761 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.149 15.142 -28.064 1.00 0.00 N ATOM 339 NH2 ARG A 537 29.075 15.803 -26.150 1.00 0.00 N ATOM 0 H ARG A 537 27.734 10.304 -29.367 1.00 0.00 H new ATOM 0 HA ARG A 537 25.384 10.004 -27.627 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.615 10.632 -26.706 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.666 12.026 -27.768 1.00 0.00 H new ATOM 0 HG2 ARG A 537 25.282 11.778 -25.954 1.00 0.00 H new ATOM 0 HG3 ARG A 537 26.818 12.163 -25.202 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.011 13.776 -27.619 1.00 0.00 H new ATOM 0 HD3 ARG A 537 25.154 14.076 -26.120 1.00 0.00 H new ATOM 0 HE ARG A 537 27.299 14.598 -25.039 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.427 14.642 -28.582 1.00 0.00 H new ATOM 0 HH12 ARG A 537 28.881 15.644 -28.566 1.00 0.00 H new ATOM 0 HH21 ARG A 537 29.097 15.834 -25.131 1.00 0.00 H new ATOM 0 HH22 ARG A 537 29.788 16.292 -26.691 1.00 0.00 H new ATOM 353 N PHE A 538 23.954 11.878 -28.378 1.00 0.00 N ATOM 354 CA PHE A 538 23.011 12.913 -28.798 1.00 0.00 C ATOM 355 C PHE A 538 22.382 13.603 -27.579 1.00 0.00 C ATOM 356 O PHE A 538 22.356 13.055 -26.473 1.00 0.00 O ATOM 357 CB PHE A 538 21.919 12.286 -29.678 1.00 0.00 C ATOM 358 CG PHE A 538 22.419 11.626 -30.952 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.789 10.268 -30.943 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.499 12.362 -32.150 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.240 9.649 -32.122 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.931 11.738 -33.334 1.00 0.00 C ATOM 363 CZ PHE A 538 23.310 10.384 -33.317 1.00 0.00 C ATOM 0 H PHE A 538 23.604 11.321 -27.599 1.00 0.00 H new ATOM 0 HA PHE A 538 23.549 13.667 -29.373 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.381 11.543 -29.089 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.201 13.061 -29.946 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.726 9.699 -30.027 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.228 13.407 -32.160 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.532 8.609 -32.109 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.972 12.299 -34.256 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.655 9.909 -34.223 1.00 0.00 H new ATOM 373 N PHE A 539 21.838 14.794 -27.804 1.00 0.00 N ATOM 374 CA PHE A 539 21.105 15.591 -26.826 1.00 0.00 C ATOM 375 C PHE A 539 19.617 15.655 -27.189 1.00 0.00 C ATOM 376 O PHE A 539 19.235 15.597 -28.363 1.00 0.00 O ATOM 377 CB PHE A 539 21.685 17.008 -26.775 1.00 0.00 C ATOM 378 CG PHE A 539 23.116 17.120 -26.294 1.00 0.00 C ATOM 379 CD1 PHE A 539 23.382 17.281 -24.921 1.00 0.00 C ATOM 380 CD2 PHE A 539 24.177 17.138 -27.218 1.00 0.00 C ATOM 381 CE1 PHE A 539 24.703 17.469 -24.475 1.00 0.00 C ATOM 382 CE2 PHE A 539 25.495 17.341 -26.774 1.00 0.00 C ATOM 383 CZ PHE A 539 25.758 17.508 -25.403 1.00 0.00 C ATOM 0 H PHE A 539 21.899 15.251 -28.714 1.00 0.00 H new ATOM 0 HA PHE A 539 21.205 15.120 -25.848 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.623 17.441 -27.773 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.055 17.614 -26.124 1.00 0.00 H new ATOM 0 HD1 PHE A 539 22.570 17.260 -24.209 1.00 0.00 H new ATOM 0 HD2 PHE A 539 23.978 16.996 -28.270 1.00 0.00 H new ATOM 0 HE1 PHE A 539 24.906 17.583 -23.420 1.00 0.00 H new ATOM 0 HE2 PHE A 539 26.306 17.369 -27.486 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.771 17.666 -25.063 1.00 0.00 H new ATOM 393 N VAL A 540 18.781 15.814 -26.165 1.00 0.00 N ATOM 394 CA VAL A 540 17.317 15.753 -26.231 1.00 0.00 C ATOM 395 C VAL A 540 16.724 16.914 -25.430 1.00 0.00 C ATOM 396 O VAL A 540 16.993 17.064 -24.236 1.00 0.00 O ATOM 397 CB VAL A 540 16.831 14.399 -25.672 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.302 14.298 -25.618 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.356 13.189 -26.461 1.00 0.00 C ATOM 0 H VAL A 540 19.119 15.998 -25.220 1.00 0.00 H new ATOM 0 HA VAL A 540 16.988 15.839 -27.267 1.00 0.00 H new ATOM 0 HB VAL A 540 17.240 14.370 -24.662 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.016 13.326 -25.217 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.908 15.086 -24.976 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.894 14.411 -26.623 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.976 12.270 -26.014 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.019 13.255 -27.496 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.446 13.182 -26.434 1.00 0.00 H new ATOM 409 N ASP A 541 15.899 17.726 -26.089 1.00 0.00 N ATOM 410 CA ASP A 541 15.203 18.871 -25.503 1.00 0.00 C ATOM 411 C ASP A 541 13.740 18.516 -25.197 1.00 0.00 C ATOM 412 O ASP A 541 12.893 18.460 -26.090 1.00 0.00 O ATOM 413 CB ASP A 541 15.284 20.079 -26.448 1.00 0.00 C ATOM 414 CG ASP A 541 14.456 21.242 -25.895 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.747 21.695 -24.761 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.476 21.655 -26.547 1.00 0.00 O ATOM 0 H ASP A 541 15.689 17.601 -27.079 1.00 0.00 H new ATOM 0 HA ASP A 541 15.690 19.133 -24.564 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.323 20.387 -26.567 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.919 19.801 -27.437 1.00 0.00 H new ATOM 421 N HIS A 542 13.427 18.286 -23.920 1.00 0.00 N ATOM 422 CA HIS A 542 12.056 18.001 -23.468 1.00 0.00 C ATOM 423 C HIS A 542 11.083 19.182 -23.657 1.00 0.00 C ATOM 424 O HIS A 542 9.867 18.984 -23.658 1.00 0.00 O ATOM 425 CB HIS A 542 12.085 17.567 -21.994 1.00 0.00 C ATOM 426 CG HIS A 542 12.909 16.334 -21.686 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.478 16.045 -20.440 1.00 0.00 N ATOM 428 CD2 HIS A 542 13.162 15.291 -22.531 1.00 0.00 C ATOM 429 CE1 HIS A 542 14.046 14.833 -20.564 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.876 14.360 -21.810 1.00 0.00 N ATOM 0 H HIS A 542 14.115 18.291 -23.167 1.00 0.00 H new ATOM 0 HA HIS A 542 11.676 17.196 -24.097 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.469 18.395 -21.398 1.00 0.00 H new ATOM 0 HB3 HIS A 542 11.061 17.387 -21.668 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.860 15.212 -23.565 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.566 14.313 -19.773 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.217 13.465 -22.161 1.00 0.00 H new ATOM 437 N ASN A 543 11.592 20.410 -23.818 1.00 0.00 N ATOM 438 CA ASN A 543 10.787 21.637 -23.893 1.00 0.00 C ATOM 439 C ASN A 543 10.063 21.818 -25.245 1.00 0.00 C ATOM 440 O ASN A 543 8.953 22.354 -25.278 1.00 0.00 O ATOM 441 CB ASN A 543 11.689 22.846 -23.583 1.00 0.00 C ATOM 442 CG ASN A 543 12.417 22.701 -22.254 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.853 22.881 -21.183 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.680 22.343 -22.281 1.00 0.00 N ATOM 0 H ASN A 543 12.594 20.582 -23.901 1.00 0.00 H new ATOM 0 HA ASN A 543 9.994 21.557 -23.150 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.419 22.966 -24.383 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.084 23.752 -23.566 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.192 22.215 -21.408 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.149 22.193 -23.175 1.00 0.00 H new ATOM 451 N THR A 544 10.656 21.341 -26.347 1.00 0.00 N ATOM 452 CA THR A 544 10.110 21.426 -27.722 1.00 0.00 C ATOM 453 C THR A 544 10.125 20.082 -28.472 1.00 0.00 C ATOM 454 O THR A 544 9.801 20.024 -29.660 1.00 0.00 O ATOM 455 CB THR A 544 10.832 22.506 -28.555 1.00 0.00 C ATOM 456 OG1 THR A 544 12.187 22.183 -28.780 1.00 0.00 O ATOM 457 CG2 THR A 544 10.794 23.894 -27.916 1.00 0.00 C ATOM 0 H THR A 544 11.559 20.868 -26.313 1.00 0.00 H new ATOM 0 HA THR A 544 9.065 21.711 -27.600 1.00 0.00 H new ATOM 0 HB THR A 544 10.281 22.530 -29.495 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.545 21.712 -27.999 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.320 24.603 -28.555 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.758 24.212 -27.797 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.277 23.858 -26.939 1.00 0.00 H new ATOM 465 N ARG A 545 10.491 18.989 -27.781 1.00 0.00 N ATOM 466 CA ARG A 545 10.668 17.607 -28.286 1.00 0.00 C ATOM 467 C ARG A 545 11.814 17.427 -29.304 1.00 0.00 C ATOM 468 O ARG A 545 11.977 16.336 -29.855 1.00 0.00 O ATOM 469 CB ARG A 545 9.320 17.048 -28.799 1.00 0.00 C ATOM 470 CG ARG A 545 9.104 15.573 -28.416 1.00 0.00 C ATOM 471 CD ARG A 545 7.970 14.905 -29.210 1.00 0.00 C ATOM 472 NE ARG A 545 6.693 15.649 -29.144 1.00 0.00 N ATOM 473 CZ ARG A 545 5.750 15.575 -28.221 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.850 14.804 -27.176 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.665 16.283 -28.339 1.00 0.00 N ATOM 0 H ARG A 545 10.686 19.047 -26.782 1.00 0.00 H new ATOM 0 HA ARG A 545 10.994 17.011 -27.433 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.505 17.647 -28.394 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.280 17.147 -29.884 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.029 15.021 -28.581 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.881 15.509 -27.351 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.273 14.809 -30.253 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.815 13.896 -28.829 1.00 0.00 H new ATOM 0 HE ARG A 545 6.518 16.302 -29.908 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.681 14.227 -27.046 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.098 14.778 -26.488 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.541 16.896 -29.145 1.00 0.00 H new ATOM 0 HH22 ARG A 545 3.938 16.225 -27.626 1.00 0.00 H new ATOM 489 N ARG A 546 12.597 18.480 -29.578 1.00 0.00 N ATOM 490 CA ARG A 546 13.719 18.484 -30.537 1.00 0.00 C ATOM 491 C ARG A 546 14.961 17.751 -30.011 1.00 0.00 C ATOM 492 O ARG A 546 15.072 17.431 -28.827 1.00 0.00 O ATOM 493 CB ARG A 546 14.054 19.935 -30.933 1.00 0.00 C ATOM 494 CG ARG A 546 12.948 20.552 -31.807 1.00 0.00 C ATOM 495 CD ARG A 546 13.350 21.930 -32.346 1.00 0.00 C ATOM 496 NE ARG A 546 13.480 22.918 -31.261 1.00 0.00 N ATOM 497 CZ ARG A 546 14.061 24.100 -31.319 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.610 24.556 -32.411 1.00 0.00 N ATOM 499 NH2 ARG A 546 14.096 24.853 -30.259 1.00 0.00 N ATOM 0 H ARG A 546 12.465 19.384 -29.125 1.00 0.00 H new ATOM 0 HA ARG A 546 13.399 17.930 -31.420 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.187 20.537 -30.034 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.000 19.956 -31.473 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.729 19.885 -32.641 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.032 20.643 -31.223 1.00 0.00 H new ATOM 0 HD2 ARG A 546 14.296 21.850 -32.882 1.00 0.00 H new ATOM 0 HD3 ARG A 546 12.605 22.273 -33.064 1.00 0.00 H new ATOM 0 HE ARG A 546 13.074 22.658 -30.362 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.599 23.992 -33.261 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.050 25.476 -32.415 1.00 0.00 H new ATOM 0 HH21 ARG A 546 13.675 24.528 -29.388 1.00 0.00 H new ATOM 0 HH22 ARG A 546 14.544 25.768 -30.298 1.00 0.00 H new ATOM 513 N THR A 547 15.914 17.505 -30.907 1.00 0.00 N ATOM 514 CA THR A 547 17.156 16.751 -30.656 1.00 0.00 C ATOM 515 C THR A 547 18.320 17.288 -31.500 1.00 0.00 C ATOM 516 O THR A 547 18.109 17.980 -32.501 1.00 0.00 O ATOM 517 CB THR A 547 16.958 15.256 -30.971 1.00 0.00 C ATOM 518 OG1 THR A 547 16.471 15.095 -32.289 1.00 0.00 O ATOM 519 CG2 THR A 547 15.962 14.568 -30.037 1.00 0.00 C ATOM 0 H THR A 547 15.846 17.836 -31.869 1.00 0.00 H new ATOM 0 HA THR A 547 17.398 16.876 -29.601 1.00 0.00 H new ATOM 0 HB THR A 547 17.938 14.797 -30.839 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.200 14.163 -32.426 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.869 13.518 -30.314 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.316 14.642 -29.009 1.00 0.00 H new ATOM 0 HG23 THR A 547 14.989 15.053 -30.122 1.00 0.00 H new ATOM 527 N THR A 548 19.563 16.989 -31.103 1.00 0.00 N ATOM 528 CA THR A 548 20.789 17.400 -31.823 1.00 0.00 C ATOM 529 C THR A 548 22.000 16.530 -31.445 1.00 0.00 C ATOM 530 O THR A 548 22.011 15.882 -30.399 1.00 0.00 O ATOM 531 CB THR A 548 21.082 18.900 -31.594 1.00 0.00 C ATOM 532 OG1 THR A 548 22.271 19.280 -32.258 1.00 0.00 O ATOM 533 CG2 THR A 548 21.217 19.291 -30.123 1.00 0.00 C ATOM 0 H THR A 548 19.755 16.447 -30.261 1.00 0.00 H new ATOM 0 HA THR A 548 20.610 17.246 -32.887 1.00 0.00 H new ATOM 0 HB THR A 548 20.215 19.423 -31.998 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.441 20.233 -32.104 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.422 20.359 -30.048 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.289 19.062 -29.599 1.00 0.00 H new ATOM 0 HG23 THR A 548 22.036 18.732 -29.672 1.00 0.00 H new ATOM 541 N PHE A 549 23.028 16.492 -32.299 1.00 0.00 N ATOM 542 CA PHE A 549 24.299 15.793 -32.057 1.00 0.00 C ATOM 543 C PHE A 549 25.300 16.610 -31.207 1.00 0.00 C ATOM 544 O PHE A 549 26.215 16.043 -30.607 1.00 0.00 O ATOM 545 CB PHE A 549 24.905 15.447 -33.427 1.00 0.00 C ATOM 546 CG PHE A 549 26.214 14.679 -33.377 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.223 13.328 -32.982 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.428 15.315 -33.705 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.432 12.615 -32.923 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.640 14.603 -33.636 1.00 0.00 C ATOM 551 CZ PHE A 549 28.641 13.251 -33.250 1.00 0.00 C ATOM 0 H PHE A 549 23.000 16.960 -33.205 1.00 0.00 H new ATOM 0 HA PHE A 549 24.095 14.895 -31.473 1.00 0.00 H new ATOM 0 HB2 PHE A 549 24.179 14.861 -33.990 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.066 16.372 -33.980 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.296 12.837 -32.723 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.428 16.351 -34.010 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.432 11.577 -32.626 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.570 15.095 -33.880 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.570 12.702 -33.205 1.00 0.00 H new ATOM 561 N GLU A 550 25.126 17.933 -31.126 1.00 0.00 N ATOM 562 CA GLU A 550 26.094 18.880 -30.545 1.00 0.00 C ATOM 563 C GLU A 550 25.449 19.832 -29.515 1.00 0.00 C ATOM 564 O GLU A 550 24.296 19.653 -29.129 1.00 0.00 O ATOM 565 CB GLU A 550 26.827 19.623 -31.684 1.00 0.00 C ATOM 566 CG GLU A 550 25.944 20.586 -32.495 1.00 0.00 C ATOM 567 CD GLU A 550 26.752 21.251 -33.625 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.418 22.287 -33.374 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.727 20.751 -34.776 1.00 0.00 O ATOM 0 H GLU A 550 24.284 18.392 -31.472 1.00 0.00 H new ATOM 0 HA GLU A 550 26.833 18.320 -29.973 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.658 20.185 -31.257 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.256 18.886 -32.363 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.099 20.043 -32.918 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.534 21.352 -31.837 1.00 0.00 H new ATOM 756 N PRO B2325 18.923 8.049 -35.680 1.00 0.00 N ATOM 757 CA PRO B2325 18.153 9.235 -35.308 1.00 0.00 C ATOM 758 C PRO B2325 17.787 9.220 -33.807 1.00 0.00 C ATOM 759 O PRO B2325 17.162 8.258 -33.345 1.00 0.00 O ATOM 760 CB PRO B2325 16.910 9.206 -36.204 1.00 0.00 C ATOM 761 CG PRO B2325 16.703 7.722 -36.504 1.00 0.00 C ATOM 762 CD PRO B2325 18.126 7.165 -36.522 1.00 0.00 C ATOM 0 HA PRO B2325 18.723 10.153 -35.453 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.045 9.635 -35.699 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.064 9.780 -37.118 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.092 7.239 -35.742 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.200 7.571 -37.459 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.148 6.143 -36.143 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.520 7.137 -37.538 1.00 0.00 H new ATOM 770 N PRO B2326 18.135 10.261 -33.024 1.00 0.00 N ATOM 771 CA PRO B2326 17.697 10.386 -31.634 1.00 0.00 C ATOM 772 C PRO B2326 16.197 10.722 -31.557 1.00 0.00 C ATOM 773 O PRO B2326 15.738 11.716 -32.127 1.00 0.00 O ATOM 774 CB PRO B2326 18.573 11.488 -31.032 1.00 0.00 C ATOM 775 CG PRO B2326 18.903 12.371 -32.235 1.00 0.00 C ATOM 776 CD PRO B2326 18.998 11.378 -33.388 1.00 0.00 C ATOM 0 HA PRO B2326 17.810 9.454 -31.080 1.00 0.00 H new ATOM 0 HB2 PRO B2326 18.044 12.044 -30.258 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.474 11.080 -30.573 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.128 13.117 -32.410 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.839 12.911 -32.092 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.674 11.833 -34.324 1.00 0.00 H new ATOM 0 HD3 PRO B2326 20.026 11.046 -33.534 1.00 0.00 H new ATOM 784 N SER B2327 15.440 9.902 -30.822 1.00 0.00 N ATOM 785 CA SER B2327 13.981 10.016 -30.659 1.00 0.00 C ATOM 786 C SER B2327 13.564 9.496 -29.277 1.00 0.00 C ATOM 787 O SER B2327 13.383 8.292 -29.089 1.00 0.00 O ATOM 788 CB SER B2327 13.237 9.229 -31.757 1.00 0.00 C ATOM 789 OG SER B2327 13.551 9.687 -33.065 1.00 0.00 O ATOM 0 H SER B2327 15.834 9.115 -30.307 1.00 0.00 H new ATOM 0 HA SER B2327 13.712 11.069 -30.748 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.490 8.172 -31.676 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.162 9.313 -31.595 1.00 0.00 H new ATOM 0 HG SER B2327 13.057 9.157 -33.725 1.00 0.00 H new ATOM 795 N TYR B2328 13.450 10.394 -28.292 1.00 0.00 N ATOM 796 CA TYR B2328 13.059 10.054 -26.916 1.00 0.00 C ATOM 797 C TYR B2328 11.528 10.126 -26.762 1.00 0.00 C ATOM 798 O TYR B2328 10.835 9.168 -27.112 1.00 0.00 O ATOM 799 CB TYR B2328 13.850 10.952 -25.948 1.00 0.00 C ATOM 800 CG TYR B2328 13.781 10.549 -24.486 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.492 9.416 -24.040 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.040 11.318 -23.565 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.453 9.043 -22.682 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.997 10.946 -22.208 1.00 0.00 C ATOM 805 CZ TYR B2328 13.700 9.806 -21.761 1.00 0.00 C ATOM 806 OH TYR B2328 13.646 9.450 -20.448 1.00 0.00 O ATOM 0 H TYR B2328 13.628 11.389 -28.428 1.00 0.00 H new ATOM 0 HA TYR B2328 13.315 9.024 -26.668 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.895 10.959 -26.257 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.483 11.974 -26.044 1.00 0.00 H new ATOM 0 HD1 TYR B2328 15.069 8.832 -24.742 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.505 12.194 -23.901 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.999 8.174 -22.345 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.424 11.535 -21.506 1.00 0.00 H new ATOM 0 HH TYR B2328 13.084 10.087 -19.959 1.00 0.00 H new ATOM 816 N GLU B2329 10.966 11.277 -26.365 1.00 0.00 N ATOM 817 CA GLU B2329 9.509 11.509 -26.354 1.00 0.00 C ATOM 818 C GLU B2329 8.862 11.338 -27.734 1.00 0.00 C ATOM 819 O GLU B2329 7.706 10.935 -27.821 1.00 0.00 O ATOM 820 CB GLU B2329 9.178 12.910 -25.807 1.00 0.00 C ATOM 821 CG GLU B2329 8.845 12.936 -24.302 1.00 0.00 C ATOM 822 CD GLU B2329 9.835 13.768 -23.465 1.00 0.00 C ATOM 823 OE1 GLU B2329 10.137 14.924 -23.847 1.00 0.00 O ATOM 824 OE2 GLU B2329 10.278 13.277 -22.399 1.00 0.00 O ATOM 0 H GLU B2329 11.509 12.078 -26.041 1.00 0.00 H new ATOM 0 HA GLU B2329 9.092 10.746 -25.697 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.026 13.570 -25.992 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.332 13.314 -26.362 1.00 0.00 H new ATOM 0 HG2 GLU B2329 7.841 13.338 -24.168 1.00 0.00 H new ATOM 0 HG3 GLU B2329 8.832 11.914 -23.924 1.00 0.00 H new ATOM 831 N ASP B2330 9.596 11.607 -28.819 1.00 0.00 N ATOM 832 CA ASP B2330 9.113 11.403 -30.190 1.00 0.00 C ATOM 833 C ASP B2330 8.886 9.918 -30.553 1.00 0.00 C ATOM 834 O ASP B2330 8.146 9.620 -31.493 1.00 0.00 O ATOM 835 CB ASP B2330 10.078 12.085 -31.167 1.00 0.00 C ATOM 836 CG ASP B2330 9.473 12.219 -32.574 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.413 12.875 -32.713 1.00 0.00 O ATOM 838 OD2 ASP B2330 10.066 11.692 -33.547 1.00 0.00 O ATOM 0 H ASP B2330 10.546 11.974 -28.771 1.00 0.00 H new ATOM 0 HA ASP B2330 8.127 11.861 -30.265 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.339 13.073 -30.789 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.003 11.511 -31.223 1.00 0.00 H new ATOM 843 N CYS B2331 9.481 8.983 -29.798 1.00 0.00 N ATOM 844 CA CYS B2331 9.274 7.538 -29.950 1.00 0.00 C ATOM 845 C CYS B2331 8.234 6.989 -28.952 1.00 0.00 C ATOM 846 O CYS B2331 7.351 6.225 -29.348 1.00 0.00 O ATOM 847 CB CYS B2331 10.634 6.845 -29.780 1.00 0.00 C ATOM 848 SG CYS B2331 10.488 5.068 -30.121 1.00 0.00 S ATOM 0 H CYS B2331 10.133 9.217 -29.049 1.00 0.00 H new ATOM 0 HA CYS B2331 8.869 7.334 -30.941 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.364 7.292 -30.455 1.00 0.00 H new ATOM 0 HB3 CYS B2331 11.003 6.998 -28.766 1.00 0.00 H new ATOM 0 HG CYS B2331 11.649 4.501 -29.974 1.00 0.00 H new ATOM 854 N ILE B2332 8.283 7.405 -27.677 1.00 0.00 N ATOM 855 CA ILE B2332 7.422 6.870 -26.599 1.00 0.00 C ATOM 856 C ILE B2332 6.003 7.490 -26.535 1.00 0.00 C ATOM 857 O ILE B2332 5.380 7.507 -25.468 1.00 0.00 O ATOM 858 CB ILE B2332 8.146 6.883 -25.229 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.430 8.302 -24.690 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.449 6.063 -25.297 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.585 8.347 -23.164 1.00 0.00 C ATOM 0 H ILE B2332 8.926 8.129 -27.357 1.00 0.00 H new ATOM 0 HA ILE B2332 7.241 5.829 -26.865 1.00 0.00 H new ATOM 0 HB ILE B2332 7.459 6.420 -24.521 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.340 8.685 -25.153 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.618 8.966 -24.986 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.943 6.084 -24.326 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.217 5.032 -25.564 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.110 6.492 -26.050 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.783 9.371 -22.848 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.667 7.994 -22.694 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.415 7.708 -22.864 1.00 0.00 H new