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 -63:sc= 0.962 USER MOD Single : A 542 HIS : no HD1:sc= 0.116 K(o=0.12,f=-0.52) USER MOD Single : A 543 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0013) USER MOD Single : A 544 THR OG1 : rot -37:sc= 1.28 USER MOD Single : A 547 THR OG1 : rot -160:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0231 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 24.168 17.470 -14.376 1.00 0.00 N ATOM 117 CA LEU A 523 23.527 17.435 -15.700 1.00 0.00 C ATOM 118 C LEU A 523 23.036 18.831 -16.178 1.00 0.00 C ATOM 119 O LEU A 523 22.718 19.686 -15.342 1.00 0.00 O ATOM 120 CB LEU A 523 22.427 16.347 -15.706 1.00 0.00 C ATOM 121 CG LEU A 523 21.074 16.731 -15.060 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.945 16.649 -16.090 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.717 15.795 -13.904 1.00 0.00 C ATOM 0 HA LEU A 523 24.274 17.159 -16.444 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.241 16.055 -16.740 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.814 15.468 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 523 21.182 17.749 -14.687 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.001 16.922 -15.618 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.152 17.335 -16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.877 15.631 -16.475 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.761 16.095 -13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.644 14.772 -14.273 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.491 15.850 -13.139 1.00 0.00 H new ATOM 135 N PRO A 524 22.958 19.089 -17.502 1.00 0.00 N ATOM 136 CA PRO A 524 22.539 20.384 -18.052 1.00 0.00 C ATOM 137 C PRO A 524 21.054 20.724 -17.773 1.00 0.00 C ATOM 138 O PRO A 524 20.222 19.820 -17.640 1.00 0.00 O ATOM 139 CB PRO A 524 22.850 20.317 -19.553 1.00 0.00 C ATOM 140 CG PRO A 524 22.864 18.823 -19.863 1.00 0.00 C ATOM 141 CD PRO A 524 23.385 18.201 -18.572 1.00 0.00 C ATOM 0 HA PRO A 524 23.080 21.196 -17.565 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.095 20.839 -20.140 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.809 20.781 -19.783 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.869 18.455 -20.114 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.511 18.594 -20.710 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.982 17.198 -18.431 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.471 18.109 -18.593 1.00 0.00 H new ATOM 149 N PRO A 525 20.693 22.021 -17.696 1.00 0.00 N ATOM 150 CA PRO A 525 19.389 22.479 -17.204 1.00 0.00 C ATOM 151 C PRO A 525 18.237 22.173 -18.177 1.00 0.00 C ATOM 152 O PRO A 525 18.146 22.759 -19.256 1.00 0.00 O ATOM 153 CB PRO A 525 19.557 23.986 -16.963 1.00 0.00 C ATOM 154 CG PRO A 525 20.653 24.392 -17.947 1.00 0.00 C ATOM 155 CD PRO A 525 21.558 23.162 -17.970 1.00 0.00 C ATOM 0 HA PRO A 525 19.109 21.950 -16.293 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.630 24.527 -17.151 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.846 24.197 -15.933 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.248 24.615 -18.934 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.187 25.281 -17.613 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.048 23.056 -18.938 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.346 23.243 -17.221 1.00 0.00 H new ATOM 163 N GLY A 526 17.330 21.271 -17.786 1.00 0.00 N ATOM 164 CA GLY A 526 16.133 20.922 -18.569 1.00 0.00 C ATOM 165 C GLY A 526 16.407 20.114 -19.849 1.00 0.00 C ATOM 166 O GLY A 526 15.591 20.139 -20.772 1.00 0.00 O ATOM 0 H GLY A 526 17.404 20.756 -16.909 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.456 20.350 -17.934 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.615 21.841 -18.841 1.00 0.00 H new ATOM 170 N TRP A 527 17.536 19.401 -19.903 1.00 0.00 N ATOM 171 CA TRP A 527 17.984 18.578 -21.036 1.00 0.00 C ATOM 172 C TRP A 527 18.156 17.102 -20.634 1.00 0.00 C ATOM 173 O TRP A 527 18.300 16.762 -19.458 1.00 0.00 O ATOM 174 CB TRP A 527 19.320 19.130 -21.569 1.00 0.00 C ATOM 175 CG TRP A 527 19.255 20.297 -22.508 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.346 21.600 -22.158 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.155 20.289 -23.968 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.282 22.395 -23.286 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.173 21.639 -24.434 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.078 19.278 -24.949 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.105 21.967 -25.797 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.001 19.593 -26.321 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.016 20.934 -26.746 1.00 0.00 C ATOM 0 H TRP A 527 18.194 19.379 -19.124 1.00 0.00 H new ATOM 0 HA TRP A 527 17.221 18.624 -21.813 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.931 19.419 -20.714 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.843 18.318 -22.075 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.453 21.965 -21.147 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.312 23.414 -23.271 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.078 18.242 -24.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.121 23.000 -26.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.930 18.800 -27.050 1.00 0.00 H new ATOM 0 HH2 TRP A 527 18.959 21.169 -27.799 1.00 0.00 H new ATOM 194 N GLU A 528 18.208 16.229 -21.638 1.00 0.00 N ATOM 195 CA GLU A 528 18.553 14.807 -21.536 1.00 0.00 C ATOM 196 C GLU A 528 19.607 14.459 -22.605 1.00 0.00 C ATOM 197 O GLU A 528 19.708 15.126 -23.639 1.00 0.00 O ATOM 198 CB GLU A 528 17.255 13.978 -21.642 1.00 0.00 C ATOM 199 CG GLU A 528 17.399 12.457 -21.822 1.00 0.00 C ATOM 200 CD GLU A 528 17.982 11.759 -20.576 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.119 12.092 -20.169 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.307 10.870 -20.004 1.00 0.00 O ATOM 0 H GLU A 528 18.000 16.507 -22.597 1.00 0.00 H new ATOM 0 HA GLU A 528 19.006 14.568 -20.574 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.667 14.156 -20.742 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.677 14.363 -22.482 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.423 12.029 -22.049 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.042 12.257 -22.679 1.00 0.00 H new ATOM 209 N ILE A 529 20.427 13.440 -22.340 1.00 0.00 N ATOM 210 CA ILE A 529 21.619 13.078 -23.120 1.00 0.00 C ATOM 211 C ILE A 529 21.708 11.549 -23.201 1.00 0.00 C ATOM 212 O ILE A 529 21.563 10.853 -22.191 1.00 0.00 O ATOM 213 CB ILE A 529 22.925 13.667 -22.514 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.805 15.105 -21.953 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.020 13.665 -23.596 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.358 15.144 -20.483 1.00 0.00 C ATOM 0 H ILE A 529 20.276 12.818 -21.546 1.00 0.00 H new ATOM 0 HA ILE A 529 21.519 13.506 -24.118 1.00 0.00 H new ATOM 0 HB ILE A 529 23.165 13.028 -21.664 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.768 15.607 -22.047 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.093 15.666 -22.558 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.941 14.076 -23.182 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.197 12.643 -23.932 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.698 14.274 -24.441 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.293 16.180 -20.150 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.381 14.670 -20.387 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.082 14.610 -19.868 1.00 0.00 H new ATOM 228 N ARG A 530 21.927 11.014 -24.405 1.00 0.00 N ATOM 229 CA ARG A 530 21.868 9.571 -24.710 1.00 0.00 C ATOM 230 C ARG A 530 23.090 9.138 -25.522 1.00 0.00 C ATOM 231 O ARG A 530 23.642 9.928 -26.287 1.00 0.00 O ATOM 232 CB ARG A 530 20.560 9.265 -25.474 1.00 0.00 C ATOM 233 CG ARG A 530 19.254 9.509 -24.684 1.00 0.00 C ATOM 234 CD ARG A 530 18.628 8.238 -24.089 1.00 0.00 C ATOM 235 NE ARG A 530 19.447 7.630 -23.020 1.00 0.00 N ATOM 236 CZ ARG A 530 19.327 6.397 -22.552 1.00 0.00 C ATOM 237 NH1 ARG A 530 18.438 5.561 -23.012 1.00 0.00 N ATOM 238 NH2 ARG A 530 20.104 5.970 -21.599 1.00 0.00 N ATOM 0 H ARG A 530 22.157 11.582 -25.220 1.00 0.00 H new ATOM 0 HA ARG A 530 21.877 9.006 -23.778 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.537 9.874 -26.377 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.582 8.223 -25.793 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.458 10.212 -23.876 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.527 9.983 -25.344 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.643 8.479 -23.690 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.480 7.507 -24.884 1.00 0.00 H new ATOM 0 HE ARG A 530 20.172 8.214 -22.604 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.805 5.849 -23.758 1.00 0.00 H new ATOM 0 HH12 ARG A 530 18.376 4.619 -22.626 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.814 6.587 -21.205 1.00 0.00 H new ATOM 0 HH22 ARG A 530 20.003 5.018 -21.246 1.00 0.00 H new ATOM 252 N TYR A 531 23.479 7.872 -25.376 1.00 0.00 N ATOM 253 CA TYR A 531 24.676 7.266 -25.972 1.00 0.00 C ATOM 254 C TYR A 531 24.261 6.024 -26.772 1.00 0.00 C ATOM 255 O TYR A 531 23.982 4.965 -26.203 1.00 0.00 O ATOM 256 CB TYR A 531 25.692 6.907 -24.874 1.00 0.00 C ATOM 257 CG TYR A 531 26.289 8.081 -24.117 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.620 8.614 -22.996 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.544 8.597 -24.495 1.00 0.00 C ATOM 260 CE1 TYR A 531 26.201 9.661 -22.254 1.00 0.00 C ATOM 261 CE2 TYR A 531 28.137 9.631 -23.745 1.00 0.00 C ATOM 262 CZ TYR A 531 27.468 10.166 -22.622 1.00 0.00 C ATOM 263 OH TYR A 531 28.047 11.168 -21.905 1.00 0.00 O ATOM 0 H TYR A 531 22.946 7.208 -24.814 1.00 0.00 H new ATOM 0 HA TYR A 531 25.155 7.976 -26.646 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.205 6.246 -24.157 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.505 6.341 -25.328 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.658 8.218 -22.705 1.00 0.00 H new ATOM 0 HD2 TYR A 531 28.052 8.199 -25.361 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.679 10.077 -21.405 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.105 10.016 -24.029 1.00 0.00 H new ATOM 0 HH TYR A 531 28.917 11.391 -22.298 1.00 0.00 H new ATOM 273 N THR A 532 24.135 6.176 -28.090 1.00 0.00 N ATOM 274 CA THR A 532 23.595 5.130 -28.978 1.00 0.00 C ATOM 275 C THR A 532 24.602 4.001 -29.237 1.00 0.00 C ATOM 276 O THR A 532 25.818 4.192 -29.140 1.00 0.00 O ATOM 277 CB THR A 532 23.115 5.719 -30.314 1.00 0.00 C ATOM 278 OG1 THR A 532 24.192 6.244 -31.053 1.00 0.00 O ATOM 279 CG2 THR A 532 22.061 6.814 -30.130 1.00 0.00 C ATOM 0 H THR A 532 24.404 7.029 -28.580 1.00 0.00 H new ATOM 0 HA THR A 532 22.741 4.701 -28.454 1.00 0.00 H new ATOM 0 HB THR A 532 22.659 4.892 -30.859 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.597 6.987 -30.558 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.758 7.195 -31.105 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.193 6.401 -29.616 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.481 7.627 -29.538 1.00 0.00 H new ATOM 287 N ALA A 533 24.106 2.815 -29.608 1.00 0.00 N ATOM 288 CA ALA A 533 24.921 1.614 -29.840 1.00 0.00 C ATOM 289 C ALA A 533 25.935 1.729 -31.004 1.00 0.00 C ATOM 290 O ALA A 533 26.877 0.937 -31.078 1.00 0.00 O ATOM 291 CB ALA A 533 23.970 0.426 -30.040 1.00 0.00 C ATOM 0 H ALA A 533 23.109 2.659 -29.758 1.00 0.00 H new ATOM 0 HA ALA A 533 25.550 1.472 -28.962 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.551 -0.480 -30.214 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.356 0.297 -29.149 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.327 0.616 -30.899 1.00 0.00 H new ATOM 297 N ALA A 534 25.783 2.723 -31.890 1.00 0.00 N ATOM 298 CA ALA A 534 26.773 3.073 -32.916 1.00 0.00 C ATOM 299 C ALA A 534 28.039 3.765 -32.352 1.00 0.00 C ATOM 300 O ALA A 534 29.011 3.964 -33.086 1.00 0.00 O ATOM 301 CB ALA A 534 26.085 3.963 -33.960 1.00 0.00 C ATOM 0 H ALA A 534 24.954 3.316 -31.913 1.00 0.00 H new ATOM 0 HA ALA A 534 27.132 2.147 -33.366 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.802 4.237 -34.734 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.254 3.420 -34.410 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.710 4.866 -33.478 1.00 0.00 H new ATOM 307 N GLY A 535 28.038 4.144 -31.067 1.00 0.00 N ATOM 308 CA GLY A 535 29.116 4.903 -30.423 1.00 0.00 C ATOM 309 C GLY A 535 28.954 6.421 -30.571 1.00 0.00 C ATOM 310 O GLY A 535 29.952 7.142 -30.617 1.00 0.00 O ATOM 0 H GLY A 535 27.270 3.926 -30.433 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.149 4.649 -29.364 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.071 4.602 -30.853 1.00 0.00 H new ATOM 314 N GLU A 536 27.714 6.913 -30.678 1.00 0.00 N ATOM 315 CA GLU A 536 27.394 8.315 -30.984 1.00 0.00 C ATOM 316 C GLU A 536 26.471 8.920 -29.911 1.00 0.00 C ATOM 317 O GLU A 536 25.384 8.396 -29.637 1.00 0.00 O ATOM 318 CB GLU A 536 26.769 8.429 -32.389 1.00 0.00 C ATOM 319 CG GLU A 536 27.701 7.928 -33.502 1.00 0.00 C ATOM 320 CD GLU A 536 27.216 8.379 -34.892 1.00 0.00 C ATOM 321 OE1 GLU A 536 26.318 7.728 -35.482 1.00 0.00 O ATOM 322 OE2 GLU A 536 27.749 9.389 -35.410 1.00 0.00 O ATOM 0 H GLU A 536 26.884 6.334 -30.551 1.00 0.00 H new ATOM 0 HA GLU A 536 28.321 8.888 -30.977 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.841 7.858 -32.415 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.509 9.470 -32.582 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.710 8.302 -33.329 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.755 6.840 -33.470 1.00 0.00 H new ATOM 329 N ARG A 537 26.921 10.017 -29.284 1.00 0.00 N ATOM 330 CA ARG A 537 26.155 10.787 -28.290 1.00 0.00 C ATOM 331 C ARG A 537 25.195 11.770 -28.969 1.00 0.00 C ATOM 332 O ARG A 537 25.550 12.400 -29.966 1.00 0.00 O ATOM 333 CB ARG A 537 27.127 11.518 -27.339 1.00 0.00 C ATOM 334 CG ARG A 537 26.412 12.183 -26.147 1.00 0.00 C ATOM 335 CD ARG A 537 27.376 12.663 -25.049 1.00 0.00 C ATOM 336 NE ARG A 537 27.652 14.115 -25.080 1.00 0.00 N ATOM 337 CZ ARG A 537 28.680 14.735 -25.629 1.00 0.00 C ATOM 338 NH1 ARG A 537 29.512 14.141 -26.435 1.00 0.00 N ATOM 339 NH2 ARG A 537 28.903 15.989 -25.360 1.00 0.00 N ATOM 0 H ARG A 537 27.849 10.403 -29.457 1.00 0.00 H new ATOM 0 HA ARG A 537 25.546 10.098 -27.705 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.864 10.808 -26.964 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.673 12.278 -27.899 1.00 0.00 H new ATOM 0 HG2 ARG A 537 25.832 13.032 -26.508 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.705 11.475 -25.715 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.959 12.404 -24.076 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.318 12.123 -25.146 1.00 0.00 H new ATOM 0 HE ARG A 537 26.963 14.711 -24.621 1.00 0.00 H new ATOM 0 HH11 ARG A 537 29.383 13.156 -26.666 1.00 0.00 H new ATOM 0 HH12 ARG A 537 30.293 14.661 -26.836 1.00 0.00 H new ATOM 0 HH21 ARG A 537 28.283 16.492 -24.725 1.00 0.00 H new ATOM 0 HH22 ARG A 537 29.697 16.468 -25.784 1.00 0.00 H new ATOM 353 N PHE A 538 24.014 11.948 -28.382 1.00 0.00 N ATOM 354 CA PHE A 538 22.996 12.917 -28.805 1.00 0.00 C ATOM 355 C PHE A 538 22.322 13.573 -27.592 1.00 0.00 C ATOM 356 O PHE A 538 22.358 13.044 -26.478 1.00 0.00 O ATOM 357 CB PHE A 538 21.936 12.221 -29.675 1.00 0.00 C ATOM 358 CG PHE A 538 22.440 11.660 -30.992 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.910 10.335 -31.058 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.411 12.447 -32.160 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.343 9.798 -32.281 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.838 11.907 -33.387 1.00 0.00 C ATOM 363 CZ PHE A 538 23.307 10.583 -33.446 1.00 0.00 C ATOM 0 H PHE A 538 23.725 11.404 -27.569 1.00 0.00 H new ATOM 0 HA PHE A 538 23.490 13.695 -29.387 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.494 11.408 -29.099 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.138 12.933 -29.885 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.938 9.729 -30.165 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.060 13.467 -32.113 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.704 8.781 -32.326 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.806 12.509 -34.283 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.640 10.169 -34.387 1.00 0.00 H new ATOM 373 N PHE A 539 21.657 14.701 -27.832 1.00 0.00 N ATOM 374 CA PHE A 539 20.941 15.500 -26.838 1.00 0.00 C ATOM 375 C PHE A 539 19.449 15.597 -27.184 1.00 0.00 C ATOM 376 O PHE A 539 19.054 15.514 -28.351 1.00 0.00 O ATOM 377 CB PHE A 539 21.543 16.908 -26.774 1.00 0.00 C ATOM 378 CG PHE A 539 22.999 17.002 -26.363 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.019 16.860 -27.323 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.332 17.317 -25.031 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.363 17.055 -26.960 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.675 17.517 -24.668 1.00 0.00 C ATOM 383 CZ PHE A 539 25.687 17.404 -25.637 1.00 0.00 C ATOM 0 H PHE A 539 21.600 15.102 -28.768 1.00 0.00 H new ATOM 0 HA PHE A 539 21.042 15.011 -25.869 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.435 17.370 -27.755 1.00 0.00 H new ATOM 0 HB3 PHE A 539 20.952 17.500 -26.075 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.768 16.601 -28.341 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.554 17.405 -24.287 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.145 16.937 -27.696 1.00 0.00 H new ATOM 0 HE2 PHE A 539 24.929 17.757 -23.646 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.716 17.586 -25.365 1.00 0.00 H new ATOM 393 N VAL A 540 18.628 15.805 -26.155 1.00 0.00 N ATOM 394 CA VAL A 540 17.162 15.735 -26.183 1.00 0.00 C ATOM 395 C VAL A 540 16.579 16.864 -25.326 1.00 0.00 C ATOM 396 O VAL A 540 16.913 16.997 -24.147 1.00 0.00 O ATOM 397 CB VAL A 540 16.705 14.367 -25.631 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.179 14.241 -25.559 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.234 13.182 -26.454 1.00 0.00 C ATOM 0 H VAL A 540 18.984 16.040 -25.228 1.00 0.00 H new ATOM 0 HA VAL A 540 16.809 15.846 -27.208 1.00 0.00 H new ATOM 0 HB VAL A 540 17.127 14.328 -24.627 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.913 13.260 -25.164 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.780 15.016 -24.904 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.757 14.357 -26.557 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.879 12.248 -26.017 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.874 13.262 -27.480 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.324 13.194 -26.450 1.00 0.00 H new ATOM 409 N ASP A 541 15.678 17.655 -25.906 1.00 0.00 N ATOM 410 CA ASP A 541 14.997 18.776 -25.254 1.00 0.00 C ATOM 411 C ASP A 541 13.518 18.440 -25.003 1.00 0.00 C ATOM 412 O ASP A 541 12.697 18.431 -25.921 1.00 0.00 O ATOM 413 CB ASP A 541 15.136 20.040 -26.114 1.00 0.00 C ATOM 414 CG ASP A 541 14.311 21.184 -25.516 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.656 21.658 -24.411 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.273 21.556 -26.108 1.00 0.00 O ATOM 0 H ASP A 541 15.391 17.530 -26.877 1.00 0.00 H new ATOM 0 HA ASP A 541 15.464 18.960 -24.287 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.184 20.332 -26.176 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.802 19.835 -27.131 1.00 0.00 H new ATOM 421 N HIS A 542 13.160 18.171 -23.745 1.00 0.00 N ATOM 422 CA HIS A 542 11.775 17.873 -23.347 1.00 0.00 C ATOM 423 C HIS A 542 10.824 19.083 -23.441 1.00 0.00 C ATOM 424 O HIS A 542 9.603 18.917 -23.422 1.00 0.00 O ATOM 425 CB HIS A 542 11.768 17.293 -21.924 1.00 0.00 C ATOM 426 CG HIS A 542 12.593 16.037 -21.737 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.288 15.704 -20.571 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.755 15.029 -22.646 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.850 14.506 -20.804 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.555 14.081 -22.044 1.00 0.00 N ATOM 0 H HIS A 542 13.822 18.153 -22.969 1.00 0.00 H new ATOM 0 HA HIS A 542 11.392 17.142 -24.059 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.134 18.055 -21.236 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.738 17.077 -21.642 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.338 14.984 -23.641 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.454 13.961 -20.094 1.00 0.00 H new ATOM 0 HE2 HIS A 542 13.869 13.208 -22.467 1.00 0.00 H new ATOM 437 N ASN A 543 11.356 20.307 -23.547 1.00 0.00 N ATOM 438 CA ASN A 543 10.566 21.544 -23.603 1.00 0.00 C ATOM 439 C ASN A 543 9.853 21.745 -24.959 1.00 0.00 C ATOM 440 O ASN A 543 8.764 22.323 -24.999 1.00 0.00 O ATOM 441 CB ASN A 543 11.477 22.739 -23.270 1.00 0.00 C ATOM 442 CG ASN A 543 12.193 22.567 -21.939 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.615 22.711 -20.869 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.460 22.225 -21.961 1.00 0.00 N ATOM 0 H ASN A 543 12.362 20.469 -23.597 1.00 0.00 H new ATOM 0 HA ASN A 543 9.771 21.467 -22.862 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.214 22.863 -24.063 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.881 23.651 -23.244 1.00 0.00 H new ATOM 0 HD21 ASN A 543 13.964 22.079 -21.086 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.941 22.105 -22.853 1.00 0.00 H new ATOM 451 N THR A 544 10.437 21.246 -26.056 1.00 0.00 N ATOM 452 CA THR A 544 9.933 21.401 -27.441 1.00 0.00 C ATOM 453 C THR A 544 9.991 20.108 -28.274 1.00 0.00 C ATOM 454 O THR A 544 9.649 20.117 -29.460 1.00 0.00 O ATOM 455 CB THR A 544 10.696 22.511 -28.189 1.00 0.00 C ATOM 456 OG1 THR A 544 12.047 22.155 -28.378 1.00 0.00 O ATOM 457 CG2 THR A 544 10.660 23.870 -27.488 1.00 0.00 C ATOM 0 H THR A 544 11.301 20.705 -26.011 1.00 0.00 H new ATOM 0 HA THR A 544 8.883 21.671 -27.330 1.00 0.00 H new ATOM 0 HB THR A 544 10.178 22.611 -29.143 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.369 21.664 -27.593 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.219 24.598 -28.076 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.626 24.201 -27.389 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.109 23.781 -26.499 1.00 0.00 H new ATOM 465 N ARG A 545 10.417 18.988 -27.666 1.00 0.00 N ATOM 466 CA ARG A 545 10.661 17.662 -28.279 1.00 0.00 C ATOM 467 C ARG A 545 11.828 17.610 -29.286 1.00 0.00 C ATOM 468 O ARG A 545 12.033 16.579 -29.932 1.00 0.00 O ATOM 469 CB ARG A 545 9.348 17.077 -28.850 1.00 0.00 C ATOM 470 CG ARG A 545 9.073 15.653 -28.341 1.00 0.00 C ATOM 471 CD ARG A 545 7.968 14.942 -29.134 1.00 0.00 C ATOM 472 NE ARG A 545 6.745 15.758 -29.263 1.00 0.00 N ATOM 473 CZ ARG A 545 6.150 16.132 -30.384 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.504 15.700 -31.563 1.00 0.00 N ATOM 475 NH2 ARG A 545 5.161 16.978 -30.339 1.00 0.00 N ATOM 0 H ARG A 545 10.615 18.980 -26.665 1.00 0.00 H new ATOM 0 HA ARG A 545 11.003 17.018 -27.469 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.515 17.725 -28.577 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.401 17.067 -29.939 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.990 15.067 -28.400 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.789 15.696 -27.289 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.341 14.695 -30.128 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.722 14.001 -28.642 1.00 0.00 H new ATOM 0 HE ARG A 545 6.311 16.067 -28.393 1.00 0.00 H new ATOM 0 HH11 ARG A 545 7.276 15.039 -31.654 1.00 0.00 H new ATOM 0 HH12 ARG A 545 6.009 16.023 -32.394 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.848 17.349 -29.442 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.699 17.269 -31.201 1.00 0.00 H new ATOM 489 N ARG A 546 12.589 18.703 -29.432 1.00 0.00 N ATOM 490 CA ARG A 546 13.775 18.819 -30.305 1.00 0.00 C ATOM 491 C ARG A 546 14.934 17.921 -29.849 1.00 0.00 C ATOM 492 O ARG A 546 15.000 17.488 -28.698 1.00 0.00 O ATOM 493 CB ARG A 546 14.218 20.296 -30.356 1.00 0.00 C ATOM 494 CG ARG A 546 13.274 21.190 -31.183 1.00 0.00 C ATOM 495 CD ARG A 546 13.464 21.052 -32.703 1.00 0.00 C ATOM 496 NE ARG A 546 14.776 21.569 -33.151 1.00 0.00 N ATOM 497 CZ ARG A 546 15.114 22.833 -33.344 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.271 23.815 -33.181 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.326 23.141 -33.707 1.00 0.00 N ATOM 0 H ARG A 546 12.391 19.567 -28.927 1.00 0.00 H new ATOM 0 HA ARG A 546 13.496 18.476 -31.302 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.277 20.685 -29.340 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.222 20.352 -30.778 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.242 20.944 -30.931 1.00 0.00 H new ATOM 0 HG3 ARG A 546 13.432 22.230 -30.899 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.373 20.003 -32.985 1.00 0.00 H new ATOM 0 HD3 ARG A 546 12.668 21.591 -33.217 1.00 0.00 H new ATOM 0 HE ARG A 546 15.500 20.873 -33.331 1.00 0.00 H new ATOM 0 HH11 ARG A 546 13.311 23.621 -32.894 1.00 0.00 H new ATOM 0 HH12 ARG A 546 14.571 24.777 -33.340 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.020 22.406 -33.844 1.00 0.00 H new ATOM 0 HH22 ARG A 546 16.582 24.117 -33.855 1.00 0.00 H new ATOM 513 N THR A 547 15.877 17.678 -30.758 1.00 0.00 N ATOM 514 CA THR A 547 17.097 16.877 -30.535 1.00 0.00 C ATOM 515 C THR A 547 18.277 17.422 -31.354 1.00 0.00 C ATOM 516 O THR A 547 18.079 18.206 -32.287 1.00 0.00 O ATOM 517 CB THR A 547 16.880 15.398 -30.912 1.00 0.00 C ATOM 518 OG1 THR A 547 16.544 15.286 -32.280 1.00 0.00 O ATOM 519 CG2 THR A 547 15.781 14.702 -30.108 1.00 0.00 C ATOM 0 H THR A 547 15.817 18.044 -31.708 1.00 0.00 H new ATOM 0 HA THR A 547 17.325 16.948 -29.471 1.00 0.00 H new ATOM 0 HB THR A 547 17.825 14.906 -30.683 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.107 14.423 -32.440 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.692 13.666 -30.434 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.034 14.728 -29.048 1.00 0.00 H new ATOM 0 HG23 THR A 547 14.833 15.215 -30.268 1.00 0.00 H new ATOM 527 N THR A 548 19.510 17.023 -31.019 1.00 0.00 N ATOM 528 CA THR A 548 20.732 17.411 -31.758 1.00 0.00 C ATOM 529 C THR A 548 21.927 16.488 -31.460 1.00 0.00 C ATOM 530 O THR A 548 21.940 15.765 -30.463 1.00 0.00 O ATOM 531 CB THR A 548 21.082 18.893 -31.494 1.00 0.00 C ATOM 532 OG1 THR A 548 22.251 19.266 -32.194 1.00 0.00 O ATOM 533 CG2 THR A 548 21.286 19.225 -30.017 1.00 0.00 C ATOM 0 H THR A 548 19.696 16.416 -30.221 1.00 0.00 H new ATOM 0 HA THR A 548 20.514 17.292 -32.819 1.00 0.00 H new ATOM 0 HB THR A 548 20.218 19.455 -31.848 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.453 20.208 -32.014 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.528 20.282 -29.912 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.372 19.006 -29.465 1.00 0.00 H new ATOM 0 HG23 THR A 548 22.103 18.624 -29.619 1.00 0.00 H new ATOM 541 N PHE A 549 22.937 16.509 -32.334 1.00 0.00 N ATOM 542 CA PHE A 549 24.220 15.800 -32.206 1.00 0.00 C ATOM 543 C PHE A 549 25.309 16.638 -31.490 1.00 0.00 C ATOM 544 O PHE A 549 26.368 16.113 -31.140 1.00 0.00 O ATOM 545 CB PHE A 549 24.659 15.405 -33.629 1.00 0.00 C ATOM 546 CG PHE A 549 25.973 14.649 -33.746 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.110 13.367 -33.179 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.062 15.223 -34.433 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.325 12.668 -33.294 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.277 14.523 -34.548 1.00 0.00 C ATOM 551 CZ PHE A 549 28.409 13.244 -33.978 1.00 0.00 C ATOM 0 H PHE A 549 22.882 17.049 -33.197 1.00 0.00 H new ATOM 0 HA PHE A 549 24.087 14.920 -31.576 1.00 0.00 H new ATOM 0 HB2 PHE A 549 23.873 14.794 -34.072 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.733 16.313 -34.228 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.279 12.919 -32.654 1.00 0.00 H new ATOM 0 HD2 PHE A 549 26.963 16.204 -34.873 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.425 11.686 -32.856 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.109 14.968 -35.074 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.341 12.706 -34.066 1.00 0.00 H new ATOM 561 N GLU A 550 25.066 17.930 -31.241 1.00 0.00 N ATOM 562 CA GLU A 550 26.049 18.879 -30.683 1.00 0.00 C ATOM 563 C GLU A 550 25.462 19.760 -29.558 1.00 0.00 C ATOM 564 O GLU A 550 24.358 19.511 -29.078 1.00 0.00 O ATOM 565 CB GLU A 550 26.685 19.694 -31.830 1.00 0.00 C ATOM 566 CG GLU A 550 25.727 20.661 -32.542 1.00 0.00 C ATOM 567 CD GLU A 550 26.452 21.413 -33.676 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.150 22.418 -33.394 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.329 21.010 -34.859 1.00 0.00 O ATOM 0 H GLU A 550 24.159 18.360 -31.425 1.00 0.00 H new ATOM 0 HA GLU A 550 26.840 18.311 -30.193 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.523 20.264 -31.430 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.093 19.001 -32.566 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.881 20.108 -32.949 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.325 21.376 -31.824 1.00 0.00 H new ATOM 756 N PRO B2325 19.155 7.843 -35.337 1.00 0.00 N ATOM 757 CA PRO B2325 18.321 9.031 -35.143 1.00 0.00 C ATOM 758 C PRO B2325 17.802 9.125 -33.689 1.00 0.00 C ATOM 759 O PRO B2325 17.147 8.187 -33.220 1.00 0.00 O ATOM 760 CB PRO B2325 17.181 8.901 -36.162 1.00 0.00 C ATOM 761 CG PRO B2325 17.066 7.396 -36.402 1.00 0.00 C ATOM 762 CD PRO B2325 18.501 6.898 -36.234 1.00 0.00 C ATOM 0 HA PRO B2325 18.882 9.952 -35.301 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.250 9.315 -35.774 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.408 9.436 -37.084 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.391 6.926 -35.686 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.679 7.177 -37.397 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.518 5.891 -35.818 1.00 0.00 H new ATOM 0 HD3 PRO B2325 19.013 6.855 -37.195 1.00 0.00 H new ATOM 770 N PRO B2326 18.064 10.227 -32.955 1.00 0.00 N ATOM 771 CA PRO B2326 17.571 10.407 -31.589 1.00 0.00 C ATOM 772 C PRO B2326 16.057 10.690 -31.571 1.00 0.00 C ATOM 773 O PRO B2326 15.587 11.668 -32.157 1.00 0.00 O ATOM 774 CB PRO B2326 18.391 11.568 -31.014 1.00 0.00 C ATOM 775 CG PRO B2326 18.733 12.404 -32.245 1.00 0.00 C ATOM 776 CD PRO B2326 18.895 11.359 -33.346 1.00 0.00 C ATOM 0 HA PRO B2326 17.693 9.507 -30.987 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.819 12.142 -30.285 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.288 11.214 -30.507 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.942 13.116 -32.480 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.647 12.979 -32.099 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.581 11.758 -34.311 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.938 11.060 -33.449 1.00 0.00 H new ATOM 784 N SER B2327 15.301 9.845 -30.863 1.00 0.00 N ATOM 785 CA SER B2327 13.836 9.925 -30.726 1.00 0.00 C ATOM 786 C SER B2327 13.403 9.403 -29.350 1.00 0.00 C ATOM 787 O SER B2327 13.132 8.212 -29.188 1.00 0.00 O ATOM 788 CB SER B2327 13.123 9.128 -31.836 1.00 0.00 C ATOM 789 OG SER B2327 13.372 9.666 -33.125 1.00 0.00 O ATOM 0 H SER B2327 15.701 9.059 -30.351 1.00 0.00 H new ATOM 0 HA SER B2327 13.550 10.972 -30.822 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.455 8.090 -31.807 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.050 9.125 -31.647 1.00 0.00 H new ATOM 0 HG SER B2327 12.903 9.131 -33.799 1.00 0.00 H new ATOM 795 N TYR B2328 13.379 10.280 -28.341 1.00 0.00 N ATOM 796 CA TYR B2328 12.955 9.938 -26.975 1.00 0.00 C ATOM 797 C TYR B2328 11.433 10.132 -26.818 1.00 0.00 C ATOM 798 O TYR B2328 10.666 9.214 -27.116 1.00 0.00 O ATOM 799 CB TYR B2328 13.810 10.735 -25.976 1.00 0.00 C ATOM 800 CG TYR B2328 13.629 10.341 -24.521 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.227 9.163 -24.032 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.875 11.154 -23.652 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.062 8.792 -22.683 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.699 10.783 -22.304 1.00 0.00 C ATOM 805 CZ TYR B2328 13.293 9.598 -21.815 1.00 0.00 C ATOM 806 OH TYR B2328 13.126 9.227 -20.516 1.00 0.00 O ATOM 0 H TYR B2328 13.655 11.256 -28.448 1.00 0.00 H new ATOM 0 HA TYR B2328 13.126 8.883 -26.762 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.860 10.614 -26.242 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.574 11.794 -26.082 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.814 8.542 -24.693 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.430 12.066 -24.021 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.525 7.889 -22.312 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.110 11.404 -21.645 1.00 0.00 H new ATOM 0 HH TYR B2328 12.572 9.891 -20.055 1.00 0.00 H new ATOM 816 N GLU B2329 10.961 11.336 -26.461 1.00 0.00 N ATOM 817 CA GLU B2329 9.519 11.643 -26.400 1.00 0.00 C ATOM 818 C GLU B2329 8.828 11.516 -27.763 1.00 0.00 C ATOM 819 O GLU B2329 7.663 11.132 -27.827 1.00 0.00 O ATOM 820 CB GLU B2329 9.258 13.037 -25.813 1.00 0.00 C ATOM 821 CG GLU B2329 9.405 13.067 -24.289 1.00 0.00 C ATOM 822 CD GLU B2329 8.769 14.343 -23.713 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.414 15.417 -23.779 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.622 14.279 -23.212 1.00 0.00 O ATOM 0 H GLU B2329 11.561 12.121 -26.208 1.00 0.00 H new ATOM 0 HA GLU B2329 9.087 10.895 -25.736 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.953 13.750 -26.256 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.253 13.360 -26.085 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.929 12.188 -23.854 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.460 13.025 -24.018 1.00 0.00 H new ATOM 831 N ASP B2330 9.544 11.779 -28.861 1.00 0.00 N ATOM 832 CA ASP B2330 9.021 11.631 -30.227 1.00 0.00 C ATOM 833 C ASP B2330 8.789 10.159 -30.649 1.00 0.00 C ATOM 834 O ASP B2330 8.189 9.907 -31.696 1.00 0.00 O ATOM 835 CB ASP B2330 9.950 12.371 -31.203 1.00 0.00 C ATOM 836 CG ASP B2330 9.205 12.815 -32.475 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.272 13.645 -32.355 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.573 12.373 -33.590 1.00 0.00 O ATOM 0 H ASP B2330 10.511 12.103 -28.829 1.00 0.00 H new ATOM 0 HA ASP B2330 8.029 12.082 -30.254 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.376 13.244 -30.708 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.782 11.722 -31.477 1.00 0.00 H new ATOM 843 N CYS B2331 9.220 9.187 -29.829 1.00 0.00 N ATOM 844 CA CYS B2331 8.959 7.754 -30.013 1.00 0.00 C ATOM 845 C CYS B2331 7.902 7.219 -29.025 1.00 0.00 C ATOM 846 O CYS B2331 7.009 6.470 -29.432 1.00 0.00 O ATOM 847 CB CYS B2331 10.291 7.003 -29.876 1.00 0.00 C ATOM 848 SG CYS B2331 10.082 5.244 -30.276 1.00 0.00 S ATOM 0 H CYS B2331 9.775 9.384 -28.997 1.00 0.00 H new ATOM 0 HA CYS B2331 8.541 7.591 -31.006 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.034 7.446 -30.540 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.670 7.107 -28.859 1.00 0.00 H new ATOM 0 HG CYS B2331 11.223 4.633 -30.154 1.00 0.00 H new ATOM 854 N ILE B2332 7.944 7.630 -27.748 1.00 0.00 N ATOM 855 CA ILE B2332 6.979 7.183 -26.716 1.00 0.00 C ATOM 856 C ILE B2332 5.613 7.913 -26.755 1.00 0.00 C ATOM 857 O ILE B2332 4.764 7.672 -25.892 1.00 0.00 O ATOM 858 CB ILE B2332 7.605 7.175 -25.298 1.00 0.00 C ATOM 859 CG1 ILE B2332 7.984 8.580 -24.793 1.00 0.00 C ATOM 860 CG2 ILE B2332 8.823 6.232 -25.266 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.251 8.646 -23.284 1.00 0.00 C ATOM 0 H ILE B2332 8.646 8.281 -27.396 1.00 0.00 H new ATOM 0 HA ILE B2332 6.746 6.150 -26.976 1.00 0.00 H new ATOM 0 HB ILE B2332 6.841 6.806 -24.614 1.00 0.00 H new ATOM 0 HG12 ILE B2332 8.873 8.919 -25.325 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.180 9.274 -25.041 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.257 6.232 -24.266 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.507 5.221 -25.524 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.567 6.575 -25.985 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.512 9.667 -23.005 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.356 8.339 -22.742 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.075 7.979 -23.031 1.00 0.00 H new