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 -61:sc= 0.00124 USER MOD Single : A 542 HIS : no HD1:sc= 0.0755 K(o=0.076,f=-0.49) USER MOD Single : A 543 ASN : amide:sc= 1.19 K(o=1.2,f=-0.031) USER MOD Single : A 544 THR OG1 : rot -51:sc= 0.0164 USER MOD Single : A 547 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 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 24.049 17.579 -14.170 1.00 0.00 N ATOM 117 CA LEU A 523 23.410 17.562 -15.496 1.00 0.00 C ATOM 118 C LEU A 523 22.962 18.976 -15.967 1.00 0.00 C ATOM 119 O LEU A 523 22.731 19.855 -15.127 1.00 0.00 O ATOM 120 CB LEU A 523 22.286 16.497 -15.498 1.00 0.00 C ATOM 121 CG LEU A 523 20.893 16.944 -14.992 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.845 16.779 -16.096 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.439 16.114 -13.791 1.00 0.00 C ATOM 0 HA LEU A 523 24.141 17.269 -16.249 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.173 16.126 -16.517 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.615 15.656 -14.887 1.00 0.00 H new ATOM 0 HG LEU A 523 20.984 17.990 -14.700 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.871 17.098 -15.724 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.123 17.389 -16.955 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.794 15.732 -16.396 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.457 16.456 -13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.381 15.063 -14.076 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.155 16.230 -12.977 1.00 0.00 H new ATOM 135 N PRO A 524 22.825 19.222 -17.287 1.00 0.00 N ATOM 136 CA PRO A 524 22.403 20.513 -17.848 1.00 0.00 C ATOM 137 C PRO A 524 20.923 20.863 -17.561 1.00 0.00 C ATOM 138 O PRO A 524 20.101 19.967 -17.341 1.00 0.00 O ATOM 139 CB PRO A 524 22.686 20.413 -19.353 1.00 0.00 C ATOM 140 CG PRO A 524 22.641 18.915 -19.642 1.00 0.00 C ATOM 141 CD PRO A 524 23.171 18.298 -18.354 1.00 0.00 C ATOM 0 HA PRO A 524 22.954 21.328 -17.378 1.00 0.00 H new ATOM 0 HB2 PRO A 524 21.940 20.954 -19.936 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.657 20.839 -19.605 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.629 18.578 -19.864 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.260 18.651 -20.500 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.725 17.319 -18.180 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.250 18.152 -18.408 1.00 0.00 H new ATOM 149 N PRO A 525 20.548 22.159 -17.582 1.00 0.00 N ATOM 150 CA PRO A 525 19.223 22.635 -17.169 1.00 0.00 C ATOM 151 C PRO A 525 18.117 22.273 -18.176 1.00 0.00 C ATOM 152 O PRO A 525 18.087 22.789 -19.295 1.00 0.00 O ATOM 153 CB PRO A 525 19.376 24.154 -17.010 1.00 0.00 C ATOM 154 CG PRO A 525 20.496 24.512 -17.985 1.00 0.00 C ATOM 155 CD PRO A 525 21.409 23.289 -17.915 1.00 0.00 C ATOM 0 HA PRO A 525 18.907 22.156 -16.242 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.451 24.677 -17.254 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.635 24.425 -15.986 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.117 24.677 -18.994 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.016 25.423 -17.687 1.00 0.00 H new ATOM 0 HD2 PRO A 525 21.915 23.126 -18.866 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.184 23.424 -17.160 1.00 0.00 H new ATOM 163 N GLY A 526 17.178 21.409 -17.777 1.00 0.00 N ATOM 164 CA GLY A 526 16.011 21.031 -18.593 1.00 0.00 C ATOM 165 C GLY A 526 16.343 20.268 -19.888 1.00 0.00 C ATOM 166 O GLY A 526 15.576 20.335 -20.851 1.00 0.00 O ATOM 0 H GLY A 526 17.204 20.945 -16.869 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.346 20.416 -17.987 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.460 21.935 -18.853 1.00 0.00 H new ATOM 170 N TRP A 527 17.469 19.548 -19.903 1.00 0.00 N ATOM 171 CA TRP A 527 17.989 18.755 -21.027 1.00 0.00 C ATOM 172 C TRP A 527 18.212 17.289 -20.613 1.00 0.00 C ATOM 173 O TRP A 527 18.331 16.961 -19.431 1.00 0.00 O ATOM 174 CB TRP A 527 19.324 19.362 -21.504 1.00 0.00 C ATOM 175 CG TRP A 527 19.267 20.490 -22.491 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.380 21.804 -22.195 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.179 20.423 -23.951 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.340 22.553 -23.355 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.227 21.752 -24.472 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.093 19.373 -24.890 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.182 22.024 -25.848 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.032 19.633 -26.275 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.079 20.955 -26.755 1.00 0.00 C ATOM 0 H TRP A 527 18.078 19.499 -19.086 1.00 0.00 H new ATOM 0 HA TRP A 527 17.257 18.777 -21.834 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.865 19.713 -20.625 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.917 18.561 -21.945 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.486 22.208 -21.199 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.388 23.572 -23.382 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.074 18.351 -24.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.226 23.042 -26.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.949 18.812 -26.972 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.036 21.148 -27.817 1.00 0.00 H new ATOM 194 N GLU A 528 18.337 16.413 -21.607 1.00 0.00 N ATOM 195 CA GLU A 528 18.718 15.004 -21.478 1.00 0.00 C ATOM 196 C GLU A 528 19.833 14.668 -22.488 1.00 0.00 C ATOM 197 O GLU A 528 19.974 15.323 -23.524 1.00 0.00 O ATOM 198 CB GLU A 528 17.446 14.139 -21.636 1.00 0.00 C ATOM 199 CG GLU A 528 17.625 12.629 -21.877 1.00 0.00 C ATOM 200 CD GLU A 528 18.185 11.877 -20.649 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.212 12.313 -20.080 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.601 10.840 -20.254 1.00 0.00 O ATOM 0 H GLU A 528 18.167 16.679 -22.577 1.00 0.00 H new ATOM 0 HA GLU A 528 19.136 14.790 -20.494 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.843 14.265 -20.737 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.868 14.544 -22.467 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.664 12.196 -22.153 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.296 12.480 -22.723 1.00 0.00 H new ATOM 209 N ILE A 529 20.636 13.647 -22.180 1.00 0.00 N ATOM 210 CA ILE A 529 21.786 13.188 -22.968 1.00 0.00 C ATOM 211 C ILE A 529 21.708 11.665 -23.096 1.00 0.00 C ATOM 212 O ILE A 529 21.588 10.956 -22.093 1.00 0.00 O ATOM 213 CB ILE A 529 23.146 13.583 -22.335 1.00 0.00 C ATOM 214 CG1 ILE A 529 23.231 15.021 -21.779 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.242 13.427 -23.401 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.774 15.133 -20.321 1.00 0.00 C ATOM 0 H ILE A 529 20.497 13.091 -21.336 1.00 0.00 H new ATOM 0 HA ILE A 529 21.738 13.672 -23.943 1.00 0.00 H new ATOM 0 HB ILE A 529 23.271 12.919 -21.479 1.00 0.00 H new ATOM 0 HG12 ILE A 529 24.259 15.374 -21.859 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.619 15.679 -22.396 1.00 0.00 H new ATOM 0 HG21 ILE A 529 25.207 13.701 -22.974 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.276 12.391 -23.739 1.00 0.00 H new ATOM 0 HG23 ILE A 529 24.022 14.078 -24.247 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.859 16.169 -19.992 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.736 14.810 -20.239 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.402 14.500 -19.693 1.00 0.00 H new ATOM 228 N ARG A 530 21.791 11.155 -24.327 1.00 0.00 N ATOM 229 CA ARG A 530 21.698 9.719 -24.644 1.00 0.00 C ATOM 230 C ARG A 530 22.837 9.301 -25.575 1.00 0.00 C ATOM 231 O ARG A 530 23.387 10.116 -26.316 1.00 0.00 O ATOM 232 CB ARG A 530 20.314 9.404 -25.252 1.00 0.00 C ATOM 233 CG ARG A 530 19.125 9.598 -24.282 1.00 0.00 C ATOM 234 CD ARG A 530 18.421 8.290 -23.891 1.00 0.00 C ATOM 235 NE ARG A 530 19.275 7.406 -23.068 1.00 0.00 N ATOM 236 CZ ARG A 530 19.076 6.120 -22.830 1.00 0.00 C ATOM 237 NH1 ARG A 530 18.063 5.467 -23.328 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.899 5.451 -22.074 1.00 0.00 N ATOM 0 H ARG A 530 21.928 11.738 -25.153 1.00 0.00 H new ATOM 0 HA ARG A 530 21.801 9.140 -23.727 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.162 10.040 -26.124 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.313 8.373 -25.605 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.483 10.091 -23.378 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.398 10.267 -24.743 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.510 8.523 -23.340 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.121 7.760 -24.795 1.00 0.00 H new ATOM 0 HE ARG A 530 20.099 7.830 -22.642 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.390 5.948 -23.924 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.944 4.475 -23.121 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.705 5.918 -21.660 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.737 4.460 -21.896 1.00 0.00 H new ATOM 252 N TYR A 531 23.173 8.015 -25.537 1.00 0.00 N ATOM 253 CA TYR A 531 24.303 7.412 -26.247 1.00 0.00 C ATOM 254 C TYR A 531 23.791 6.169 -26.984 1.00 0.00 C ATOM 255 O TYR A 531 23.390 5.187 -26.351 1.00 0.00 O ATOM 256 CB TYR A 531 25.419 7.050 -25.248 1.00 0.00 C ATOM 257 CG TYR A 531 26.061 8.210 -24.499 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.438 8.756 -23.357 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.322 8.696 -24.901 1.00 0.00 C ATOM 260 CE1 TYR A 531 26.065 9.786 -22.627 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.960 9.713 -24.163 1.00 0.00 C ATOM 262 CZ TYR A 531 27.333 10.262 -23.023 1.00 0.00 C ATOM 263 OH TYR A 531 27.950 11.235 -22.295 1.00 0.00 O ATOM 0 H TYR A 531 22.646 7.335 -24.989 1.00 0.00 H new ATOM 0 HA TYR A 531 24.724 8.113 -26.968 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.009 6.355 -24.515 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.202 6.518 -25.789 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.475 8.383 -23.040 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.801 8.287 -25.778 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.575 10.211 -21.764 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.931 10.073 -24.470 1.00 0.00 H new ATOM 0 HH TYR A 531 28.816 11.449 -22.702 1.00 0.00 H new ATOM 273 N THR A 532 23.721 6.226 -28.316 1.00 0.00 N ATOM 274 CA THR A 532 23.161 5.135 -29.131 1.00 0.00 C ATOM 275 C THR A 532 24.067 3.899 -29.115 1.00 0.00 C ATOM 276 O THR A 532 25.287 4.000 -28.953 1.00 0.00 O ATOM 277 CB THR A 532 22.900 5.570 -30.585 1.00 0.00 C ATOM 278 OG1 THR A 532 24.113 5.832 -31.258 1.00 0.00 O ATOM 279 CG2 THR A 532 22.011 6.811 -30.677 1.00 0.00 C ATOM 0 H THR A 532 24.048 7.023 -28.862 1.00 0.00 H new ATOM 0 HA THR A 532 22.204 4.876 -28.677 1.00 0.00 H new ATOM 0 HB THR A 532 22.379 4.738 -31.059 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.586 6.562 -30.807 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.860 7.073 -31.724 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.047 6.603 -30.212 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.492 7.642 -30.161 1.00 0.00 H new ATOM 287 N ALA A 533 23.489 2.716 -29.349 1.00 0.00 N ATOM 288 CA ALA A 533 24.239 1.458 -29.471 1.00 0.00 C ATOM 289 C ALA A 533 25.230 1.429 -30.663 1.00 0.00 C ATOM 290 O ALA A 533 26.107 0.565 -30.721 1.00 0.00 O ATOM 291 CB ALA A 533 23.231 0.304 -29.543 1.00 0.00 C ATOM 0 H ALA A 533 22.481 2.602 -29.460 1.00 0.00 H new ATOM 0 HA ALA A 533 24.874 1.356 -28.591 1.00 0.00 H new ATOM 0 HB1 ALA A 533 23.766 -0.641 -29.634 1.00 0.00 H new ATOM 0 HB2 ALA A 533 22.626 0.293 -28.637 1.00 0.00 H new ATOM 0 HB3 ALA A 533 22.584 0.440 -30.410 1.00 0.00 H new ATOM 297 N ALA A 534 25.117 2.384 -31.597 1.00 0.00 N ATOM 298 CA ALA A 534 26.061 2.600 -32.697 1.00 0.00 C ATOM 299 C ALA A 534 27.334 3.375 -32.278 1.00 0.00 C ATOM 300 O ALA A 534 28.278 3.469 -33.067 1.00 0.00 O ATOM 301 CB ALA A 534 25.316 3.328 -33.824 1.00 0.00 C ATOM 0 H ALA A 534 24.341 3.046 -31.606 1.00 0.00 H new ATOM 0 HA ALA A 534 26.422 1.628 -33.034 1.00 0.00 H new ATOM 0 HB1 ALA A 534 25.997 3.502 -34.657 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.479 2.717 -34.161 1.00 0.00 H new ATOM 0 HB3 ALA A 534 24.942 4.283 -33.455 1.00 0.00 H new ATOM 307 N GLY A 535 27.378 3.921 -31.054 1.00 0.00 N ATOM 308 CA GLY A 535 28.567 4.547 -30.465 1.00 0.00 C ATOM 309 C GLY A 535 28.599 6.079 -30.541 1.00 0.00 C ATOM 310 O GLY A 535 29.688 6.655 -30.521 1.00 0.00 O ATOM 0 H GLY A 535 26.569 3.939 -30.433 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.635 4.249 -29.419 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.452 4.155 -30.967 1.00 0.00 H new ATOM 314 N GLU A 536 27.446 6.752 -30.640 1.00 0.00 N ATOM 315 CA GLU A 536 27.359 8.213 -30.802 1.00 0.00 C ATOM 316 C GLU A 536 26.443 8.868 -29.755 1.00 0.00 C ATOM 317 O GLU A 536 25.354 8.372 -29.451 1.00 0.00 O ATOM 318 CB GLU A 536 26.872 8.564 -32.221 1.00 0.00 C ATOM 319 CG GLU A 536 27.831 8.155 -33.353 1.00 0.00 C ATOM 320 CD GLU A 536 29.235 8.799 -33.273 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.400 9.880 -32.657 1.00 0.00 O ATOM 322 OE2 GLU A 536 30.185 8.235 -33.870 1.00 0.00 O ATOM 0 H GLU A 536 26.535 6.294 -30.610 1.00 0.00 H new ATOM 0 HA GLU A 536 28.362 8.611 -30.649 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.909 8.083 -32.389 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.705 9.640 -32.277 1.00 0.00 H new ATOM 0 HG2 GLU A 536 27.942 7.071 -33.343 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.378 8.420 -34.308 1.00 0.00 H new ATOM 329 N ARG A 537 26.893 10.002 -29.201 1.00 0.00 N ATOM 330 CA ARG A 537 26.144 10.813 -28.228 1.00 0.00 C ATOM 331 C ARG A 537 25.236 11.822 -28.932 1.00 0.00 C ATOM 332 O ARG A 537 25.653 12.472 -29.890 1.00 0.00 O ATOM 333 CB ARG A 537 27.141 11.513 -27.281 1.00 0.00 C ATOM 334 CG ARG A 537 26.460 12.284 -26.134 1.00 0.00 C ATOM 335 CD ARG A 537 26.148 13.753 -26.473 1.00 0.00 C ATOM 336 NE ARG A 537 27.132 14.665 -25.856 1.00 0.00 N ATOM 337 CZ ARG A 537 28.101 15.338 -26.449 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.292 15.311 -27.737 1.00 0.00 N ATOM 339 NH2 ARG A 537 28.908 16.073 -25.738 1.00 0.00 N ATOM 0 H ARG A 537 27.810 10.391 -29.421 1.00 0.00 H new ATOM 0 HA ARG A 537 25.495 10.163 -27.641 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.813 10.767 -26.858 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.755 12.204 -27.859 1.00 0.00 H new ATOM 0 HG2 ARG A 537 25.532 11.777 -25.868 1.00 0.00 H new ATOM 0 HG3 ARG A 537 27.104 12.252 -25.255 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.152 13.888 -27.555 1.00 0.00 H new ATOM 0 HD3 ARG A 537 25.147 14.005 -26.124 1.00 0.00 H new ATOM 0 HE ARG A 537 27.053 14.791 -24.847 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.679 14.753 -28.332 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.054 15.848 -28.151 1.00 0.00 H new ATOM 0 HH21 ARG A 537 28.790 16.127 -24.726 1.00 0.00 H new ATOM 0 HH22 ARG A 537 29.658 16.594 -26.193 1.00 0.00 H new ATOM 353 N PHE A 538 24.043 12.030 -28.382 1.00 0.00 N ATOM 354 CA PHE A 538 23.088 13.063 -28.792 1.00 0.00 C ATOM 355 C PHE A 538 22.429 13.713 -27.565 1.00 0.00 C ATOM 356 O PHE A 538 22.378 13.128 -26.479 1.00 0.00 O ATOM 357 CB PHE A 538 22.012 12.445 -29.701 1.00 0.00 C ATOM 358 CG PHE A 538 22.512 11.898 -31.028 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.941 10.561 -31.124 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.516 12.713 -32.176 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.368 10.041 -32.359 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.935 12.191 -33.414 1.00 0.00 C ATOM 363 CZ PHE A 538 23.364 10.855 -33.505 1.00 0.00 C ATOM 0 H PHE A 538 23.699 11.463 -27.608 1.00 0.00 H new ATOM 0 HA PHE A 538 23.626 13.835 -29.342 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.521 11.638 -29.157 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.253 13.201 -29.902 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.942 9.932 -30.246 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.196 13.742 -32.106 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.699 9.015 -32.427 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.927 12.817 -34.294 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.690 10.455 -34.454 1.00 0.00 H new ATOM 373 N PHE A 539 21.884 14.911 -27.759 1.00 0.00 N ATOM 374 CA PHE A 539 21.117 15.654 -26.762 1.00 0.00 C ATOM 375 C PHE A 539 19.627 15.676 -27.126 1.00 0.00 C ATOM 376 O PHE A 539 19.247 15.629 -28.301 1.00 0.00 O ATOM 377 CB PHE A 539 21.648 17.087 -26.661 1.00 0.00 C ATOM 378 CG PHE A 539 23.047 17.231 -26.098 1.00 0.00 C ATOM 379 CD1 PHE A 539 23.230 17.400 -24.713 1.00 0.00 C ATOM 380 CD2 PHE A 539 24.158 17.267 -26.960 1.00 0.00 C ATOM 381 CE1 PHE A 539 24.518 17.619 -24.193 1.00 0.00 C ATOM 382 CE2 PHE A 539 25.444 17.506 -26.443 1.00 0.00 C ATOM 383 CZ PHE A 539 25.624 17.683 -25.059 1.00 0.00 C ATOM 0 H PHE A 539 21.967 15.409 -28.645 1.00 0.00 H new ATOM 0 HA PHE A 539 21.229 15.156 -25.799 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.629 17.533 -27.655 1.00 0.00 H new ATOM 0 HB3 PHE A 539 20.965 17.665 -26.039 1.00 0.00 H new ATOM 0 HD1 PHE A 539 22.380 17.361 -24.048 1.00 0.00 H new ATOM 0 HD2 PHE A 539 24.023 17.111 -28.020 1.00 0.00 H new ATOM 0 HE1 PHE A 539 24.658 17.738 -23.129 1.00 0.00 H new ATOM 0 HE2 PHE A 539 26.293 17.554 -27.108 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.611 17.868 -24.662 1.00 0.00 H new ATOM 393 N VAL A 540 18.789 15.786 -26.097 1.00 0.00 N ATOM 394 CA VAL A 540 17.327 15.687 -26.156 1.00 0.00 C ATOM 395 C VAL A 540 16.714 16.819 -25.333 1.00 0.00 C ATOM 396 O VAL A 540 17.010 16.968 -24.146 1.00 0.00 O ATOM 397 CB VAL A 540 16.875 14.320 -25.598 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.349 14.187 -25.539 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.418 13.126 -26.397 1.00 0.00 C ATOM 0 H VAL A 540 19.126 15.955 -25.149 1.00 0.00 H new ATOM 0 HA VAL A 540 16.994 15.772 -27.190 1.00 0.00 H new ATOM 0 HB VAL A 540 17.292 14.295 -24.591 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.084 13.208 -25.140 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.941 14.965 -24.894 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.935 14.294 -26.542 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.062 12.197 -25.951 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.070 13.190 -27.428 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.508 13.142 -26.380 1.00 0.00 H new ATOM 409 N ASP A 541 15.827 17.595 -25.952 1.00 0.00 N ATOM 410 CA ASP A 541 15.073 18.673 -25.314 1.00 0.00 C ATOM 411 C ASP A 541 13.601 18.259 -25.156 1.00 0.00 C ATOM 412 O ASP A 541 12.892 18.023 -26.136 1.00 0.00 O ATOM 413 CB ASP A 541 15.217 19.956 -26.144 1.00 0.00 C ATOM 414 CG ASP A 541 14.395 21.087 -25.521 1.00 0.00 C ATOM 415 OD1 ASP A 541 13.182 21.161 -25.807 1.00 0.00 O ATOM 416 OD2 ASP A 541 14.927 21.852 -24.685 1.00 0.00 O ATOM 0 H ASP A 541 15.606 17.488 -26.942 1.00 0.00 H new ATOM 0 HA ASP A 541 15.470 18.868 -24.318 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.266 20.247 -26.198 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.884 19.775 -27.166 1.00 0.00 H new ATOM 421 N HIS A 542 13.130 18.152 -23.911 1.00 0.00 N ATOM 422 CA HIS A 542 11.736 17.791 -23.601 1.00 0.00 C ATOM 423 C HIS A 542 10.752 18.969 -23.732 1.00 0.00 C ATOM 424 O HIS A 542 9.539 18.759 -23.767 1.00 0.00 O ATOM 425 CB HIS A 542 11.667 17.211 -22.178 1.00 0.00 C ATOM 426 CG HIS A 542 12.579 16.032 -21.913 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.222 15.778 -20.697 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.888 15.030 -22.789 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.904 14.634 -20.870 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.727 14.167 -22.118 1.00 0.00 N ATOM 0 H HIS A 542 13.704 18.313 -23.083 1.00 0.00 H new ATOM 0 HA HIS A 542 11.428 17.050 -24.339 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.909 18.003 -21.469 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.640 16.907 -21.977 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.542 14.933 -23.808 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.509 14.157 -20.113 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.143 13.319 -22.503 1.00 0.00 H new ATOM 437 N ASN A 543 11.255 20.206 -23.797 1.00 0.00 N ATOM 438 CA ASN A 543 10.464 21.443 -23.804 1.00 0.00 C ATOM 439 C ASN A 543 9.759 21.692 -25.156 1.00 0.00 C ATOM 440 O ASN A 543 8.638 22.205 -25.180 1.00 0.00 O ATOM 441 CB ASN A 543 11.381 22.622 -23.417 1.00 0.00 C ATOM 442 CG ASN A 543 12.190 22.344 -22.158 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.676 22.346 -21.047 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.467 22.059 -22.289 1.00 0.00 N ATOM 0 H ASN A 543 12.259 20.381 -23.848 1.00 0.00 H new ATOM 0 HA ASN A 543 9.663 21.345 -23.071 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.061 22.835 -24.242 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.775 23.515 -23.265 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.028 21.840 -21.466 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.897 22.057 -23.214 1.00 0.00 H new ATOM 451 N THR A 544 10.379 21.279 -26.269 1.00 0.00 N ATOM 452 CA THR A 544 9.842 21.363 -27.647 1.00 0.00 C ATOM 453 C THR A 544 9.986 20.049 -28.436 1.00 0.00 C ATOM 454 O THR A 544 9.706 20.009 -29.638 1.00 0.00 O ATOM 455 CB THR A 544 10.485 22.519 -28.438 1.00 0.00 C ATOM 456 OG1 THR A 544 11.871 22.302 -28.596 1.00 0.00 O ATOM 457 CG2 THR A 544 10.304 23.882 -27.766 1.00 0.00 C ATOM 0 H THR A 544 11.308 20.859 -26.240 1.00 0.00 H new ATOM 0 HA THR A 544 8.776 21.559 -27.530 1.00 0.00 H new ATOM 0 HB THR A 544 9.974 22.534 -29.401 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.272 22.103 -27.724 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.779 24.653 -28.373 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.241 24.101 -27.668 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.763 23.864 -26.778 1.00 0.00 H new ATOM 465 N ARG A 545 10.403 18.960 -27.766 1.00 0.00 N ATOM 466 CA ARG A 545 10.630 17.595 -28.299 1.00 0.00 C ATOM 467 C ARG A 545 11.833 17.463 -29.257 1.00 0.00 C ATOM 468 O ARG A 545 12.040 16.394 -29.838 1.00 0.00 O ATOM 469 CB ARG A 545 9.328 17.040 -28.921 1.00 0.00 C ATOM 470 CG ARG A 545 9.120 15.539 -28.648 1.00 0.00 C ATOM 471 CD ARG A 545 8.144 14.893 -29.641 1.00 0.00 C ATOM 472 NE ARG A 545 6.847 15.593 -29.711 1.00 0.00 N ATOM 473 CZ ARG A 545 5.958 15.499 -30.685 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.100 14.693 -31.698 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.882 16.233 -30.655 1.00 0.00 N ATOM 0 H ARG A 545 10.606 19.009 -26.768 1.00 0.00 H new ATOM 0 HA ARG A 545 10.909 16.981 -27.443 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.478 17.596 -28.526 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.346 17.208 -29.998 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.080 15.026 -28.701 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.743 15.406 -27.634 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.598 14.880 -30.632 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.976 13.855 -29.354 1.00 0.00 H new ATOM 0 HE ARG A 545 6.614 16.209 -28.932 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.926 14.098 -31.764 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.385 14.657 -32.425 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.727 16.879 -29.881 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.195 16.162 -31.406 1.00 0.00 H new ATOM 489 N ARG A 546 12.606 18.538 -29.460 1.00 0.00 N ATOM 490 CA ARG A 546 13.749 18.603 -30.393 1.00 0.00 C ATOM 491 C ARG A 546 14.969 17.803 -29.912 1.00 0.00 C ATOM 492 O ARG A 546 15.083 17.428 -28.744 1.00 0.00 O ATOM 493 CB ARG A 546 14.122 20.076 -30.647 1.00 0.00 C ATOM 494 CG ARG A 546 13.029 20.824 -31.428 1.00 0.00 C ATOM 495 CD ARG A 546 13.468 22.263 -31.719 1.00 0.00 C ATOM 496 NE ARG A 546 12.377 23.047 -32.331 1.00 0.00 N ATOM 497 CZ ARG A 546 12.477 24.250 -32.871 1.00 0.00 C ATOM 498 NH1 ARG A 546 13.613 24.886 -32.945 1.00 0.00 N ATOM 499 NH2 ARG A 546 11.424 24.845 -33.353 1.00 0.00 N ATOM 0 H ARG A 546 12.452 19.417 -28.966 1.00 0.00 H new ATOM 0 HA ARG A 546 13.435 18.135 -31.326 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.292 20.576 -29.693 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.059 20.122 -31.202 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.822 20.304 -32.363 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.102 20.829 -30.854 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.787 22.742 -30.793 1.00 0.00 H new ATOM 0 HD3 ARG A 546 14.330 22.254 -32.386 1.00 0.00 H new ATOM 0 HE ARG A 546 11.452 22.617 -32.338 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.463 24.456 -32.579 1.00 0.00 H new ATOM 0 HH12 ARG A 546 13.652 25.813 -33.369 1.00 0.00 H new ATOM 0 HH21 ARG A 546 10.515 24.383 -33.315 1.00 0.00 H new ATOM 0 HH22 ARG A 546 11.508 25.773 -33.768 1.00 0.00 H new ATOM 513 N THR A 547 15.909 17.580 -30.828 1.00 0.00 N ATOM 514 CA THR A 547 17.152 16.813 -30.620 1.00 0.00 C ATOM 515 C THR A 547 18.309 17.392 -31.439 1.00 0.00 C ATOM 516 O THR A 547 18.087 18.065 -32.449 1.00 0.00 O ATOM 517 CB THR A 547 16.966 15.338 -31.023 1.00 0.00 C ATOM 518 OG1 THR A 547 16.363 15.224 -32.300 1.00 0.00 O ATOM 519 CG2 THR A 547 16.083 14.575 -30.037 1.00 0.00 C ATOM 0 H THR A 547 15.829 17.941 -31.779 1.00 0.00 H new ATOM 0 HA THR A 547 17.387 16.880 -29.558 1.00 0.00 H new ATOM 0 HB THR A 547 17.968 14.909 -31.029 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.259 14.277 -32.529 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.982 13.540 -30.364 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.538 14.599 -29.047 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.098 15.040 -29.995 1.00 0.00 H new ATOM 527 N THR A 548 19.553 17.126 -31.028 1.00 0.00 N ATOM 528 CA THR A 548 20.766 17.611 -31.717 1.00 0.00 C ATOM 529 C THR A 548 22.005 16.761 -31.390 1.00 0.00 C ATOM 530 O THR A 548 22.061 16.086 -30.360 1.00 0.00 O ATOM 531 CB THR A 548 21.002 19.103 -31.399 1.00 0.00 C ATOM 532 OG1 THR A 548 22.154 19.584 -32.062 1.00 0.00 O ATOM 533 CG2 THR A 548 21.150 19.401 -29.907 1.00 0.00 C ATOM 0 H THR A 548 19.754 16.564 -30.201 1.00 0.00 H new ATOM 0 HA THR A 548 20.600 17.508 -32.789 1.00 0.00 H new ATOM 0 HB THR A 548 20.106 19.612 -31.754 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.283 20.531 -31.848 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.313 20.469 -29.764 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.243 19.099 -29.384 1.00 0.00 H new ATOM 0 HG23 THR A 548 22.000 18.848 -29.508 1.00 0.00 H new ATOM 541 N PHE A 549 22.998 16.768 -32.285 1.00 0.00 N ATOM 542 CA PHE A 549 24.274 16.050 -32.149 1.00 0.00 C ATOM 543 C PHE A 549 25.368 16.877 -31.439 1.00 0.00 C ATOM 544 O PHE A 549 26.310 16.315 -30.876 1.00 0.00 O ATOM 545 CB PHE A 549 24.726 15.652 -33.564 1.00 0.00 C ATOM 546 CG PHE A 549 26.019 14.859 -33.643 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.144 13.634 -32.961 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.100 15.340 -34.410 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.342 12.902 -33.032 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.295 14.601 -34.490 1.00 0.00 C ATOM 551 CZ PHE A 549 28.418 13.384 -33.797 1.00 0.00 C ATOM 0 H PHE A 549 22.935 17.293 -33.157 1.00 0.00 H new ATOM 0 HA PHE A 549 24.120 15.175 -31.517 1.00 0.00 H new ATOM 0 HB2 PHE A 549 23.933 15.066 -34.028 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.841 16.559 -34.158 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.316 13.255 -32.381 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.011 16.278 -34.938 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.436 11.968 -32.498 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.118 14.969 -35.084 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.338 12.820 -33.852 1.00 0.00 H new ATOM 561 N GLU A 550 25.230 18.205 -31.421 1.00 0.00 N ATOM 562 CA GLU A 550 26.168 19.155 -30.799 1.00 0.00 C ATOM 563 C GLU A 550 25.522 19.872 -29.594 1.00 0.00 C ATOM 564 O GLU A 550 24.432 19.503 -29.161 1.00 0.00 O ATOM 565 CB GLU A 550 26.718 20.117 -31.873 1.00 0.00 C ATOM 566 CG GLU A 550 25.676 21.072 -32.475 1.00 0.00 C ATOM 567 CD GLU A 550 26.298 21.933 -33.592 1.00 0.00 C ATOM 568 OE1 GLU A 550 26.927 22.975 -33.283 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.161 21.580 -34.789 1.00 0.00 O ATOM 0 H GLU A 550 24.433 18.670 -31.855 1.00 0.00 H new ATOM 0 HA GLU A 550 27.020 18.615 -30.387 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.522 20.708 -31.434 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.158 19.528 -32.677 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.840 20.499 -32.875 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.275 21.718 -31.694 1.00 0.00 H new ATOM 756 N PRO B2325 18.838 7.869 -35.561 1.00 0.00 N ATOM 757 CA PRO B2325 18.255 9.160 -35.210 1.00 0.00 C ATOM 758 C PRO B2325 17.839 9.191 -33.725 1.00 0.00 C ATOM 759 O PRO B2325 17.168 8.258 -33.265 1.00 0.00 O ATOM 760 CB PRO B2325 17.060 9.345 -36.153 1.00 0.00 C ATOM 761 CG PRO B2325 16.659 7.919 -36.527 1.00 0.00 C ATOM 762 CD PRO B2325 17.990 7.168 -36.516 1.00 0.00 C ATOM 0 HA PRO B2325 18.968 9.976 -35.328 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.243 9.874 -35.662 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.333 9.927 -37.033 1.00 0.00 H new ATOM 0 HG2 PRO B2325 15.953 7.498 -35.811 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.182 7.879 -37.506 1.00 0.00 H new ATOM 0 HD2 PRO B2325 17.849 6.128 -36.222 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.442 7.161 -37.508 1.00 0.00 H new ATOM 770 N PRO B2326 18.202 10.237 -32.958 1.00 0.00 N ATOM 771 CA PRO B2326 17.762 10.385 -31.573 1.00 0.00 C ATOM 772 C PRO B2326 16.251 10.665 -31.516 1.00 0.00 C ATOM 773 O PRO B2326 15.762 11.638 -32.095 1.00 0.00 O ATOM 774 CB PRO B2326 18.602 11.531 -31.000 1.00 0.00 C ATOM 775 CG PRO B2326 18.910 12.387 -32.227 1.00 0.00 C ATOM 776 CD PRO B2326 19.055 11.355 -33.341 1.00 0.00 C ATOM 0 HA PRO B2326 17.908 9.478 -30.986 1.00 0.00 H new ATOM 0 HB2 PRO B2326 18.053 12.093 -30.244 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.513 11.165 -30.526 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.108 13.096 -32.436 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.823 12.968 -32.094 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.749 11.770 -34.301 1.00 0.00 H new ATOM 0 HD3 PRO B2326 20.092 11.037 -33.448 1.00 0.00 H new ATOM 784 N SER B2327 15.519 9.814 -30.793 1.00 0.00 N ATOM 785 CA SER B2327 14.060 9.886 -30.620 1.00 0.00 C ATOM 786 C SER B2327 13.683 9.351 -29.235 1.00 0.00 C ATOM 787 O SER B2327 13.497 8.148 -29.056 1.00 0.00 O ATOM 788 CB SER B2327 13.321 9.090 -31.712 1.00 0.00 C ATOM 789 OG SER B2327 13.513 9.651 -33.001 1.00 0.00 O ATOM 0 H SER B2327 15.936 9.028 -30.294 1.00 0.00 H new ATOM 0 HA SER B2327 13.757 10.929 -30.708 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.673 8.058 -31.710 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.256 9.064 -31.483 1.00 0.00 H new ATOM 0 HG SER B2327 13.030 9.117 -33.666 1.00 0.00 H new ATOM 795 N TYR B2328 13.622 10.238 -28.238 1.00 0.00 N ATOM 796 CA TYR B2328 13.215 9.897 -26.869 1.00 0.00 C ATOM 797 C TYR B2328 11.683 10.006 -26.740 1.00 0.00 C ATOM 798 O TYR B2328 10.974 9.046 -27.046 1.00 0.00 O ATOM 799 CB TYR B2328 14.006 10.785 -25.895 1.00 0.00 C ATOM 800 CG TYR B2328 13.852 10.438 -24.425 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.557 9.343 -23.888 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.034 11.223 -23.588 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.441 9.030 -22.519 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.908 10.908 -22.220 1.00 0.00 C ATOM 805 CZ TYR B2328 13.614 9.809 -21.681 1.00 0.00 C ATOM 806 OH TYR B2328 13.500 9.496 -20.361 1.00 0.00 O ATOM 0 H TYR B2328 13.856 11.224 -28.358 1.00 0.00 H new ATOM 0 HA TYR B2328 13.452 8.864 -26.617 1.00 0.00 H new ATOM 0 HB2 TYR B2328 15.063 10.728 -26.155 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.697 11.820 -26.041 1.00 0.00 H new ATOM 0 HD1 TYR B2328 15.188 8.742 -24.527 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.502 12.069 -23.996 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.986 8.192 -22.110 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.272 11.506 -21.584 1.00 0.00 H new ATOM 0 HH TYR B2328 12.894 10.131 -19.925 1.00 0.00 H new ATOM 816 N GLU B2329 11.153 11.194 -26.418 1.00 0.00 N ATOM 817 CA GLU B2329 9.708 11.486 -26.413 1.00 0.00 C ATOM 818 C GLU B2329 9.060 11.177 -27.771 1.00 0.00 C ATOM 819 O GLU B2329 7.991 10.574 -27.829 1.00 0.00 O ATOM 820 CB GLU B2329 9.476 12.967 -26.063 1.00 0.00 C ATOM 821 CG GLU B2329 9.501 13.269 -24.559 1.00 0.00 C ATOM 822 CD GLU B2329 8.149 12.940 -23.893 1.00 0.00 C ATOM 823 OE1 GLU B2329 7.229 13.793 -23.931 1.00 0.00 O ATOM 824 OE2 GLU B2329 8.002 11.834 -23.323 1.00 0.00 O ATOM 0 H GLU B2329 11.724 11.995 -26.149 1.00 0.00 H new ATOM 0 HA GLU B2329 9.244 10.846 -25.662 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.239 13.569 -26.556 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.513 13.278 -26.469 1.00 0.00 H new ATOM 0 HG2 GLU B2329 10.292 12.689 -24.084 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.738 14.321 -24.402 1.00 0.00 H new ATOM 831 N ASP B2330 9.729 11.532 -28.874 1.00 0.00 N ATOM 832 CA ASP B2330 9.210 11.327 -30.233 1.00 0.00 C ATOM 833 C ASP B2330 9.079 9.843 -30.642 1.00 0.00 C ATOM 834 O ASP B2330 8.392 9.533 -31.618 1.00 0.00 O ATOM 835 CB ASP B2330 10.076 12.112 -31.229 1.00 0.00 C ATOM 836 CG ASP B2330 9.310 12.405 -32.529 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.259 13.088 -32.453 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.768 11.993 -33.622 1.00 0.00 O ATOM 0 H ASP B2330 10.649 11.971 -28.850 1.00 0.00 H new ATOM 0 HA ASP B2330 8.189 11.707 -30.247 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.397 13.050 -30.775 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.978 11.543 -31.456 1.00 0.00 H new ATOM 843 N CYS B2331 9.687 8.918 -29.885 1.00 0.00 N ATOM 844 CA CYS B2331 9.462 7.477 -30.019 1.00 0.00 C ATOM 845 C CYS B2331 8.379 6.969 -29.048 1.00 0.00 C ATOM 846 O CYS B2331 7.501 6.207 -29.462 1.00 0.00 O ATOM 847 CB CYS B2331 10.796 6.752 -29.792 1.00 0.00 C ATOM 848 SG CYS B2331 10.634 4.973 -30.123 1.00 0.00 S ATOM 0 H CYS B2331 10.357 9.156 -29.154 1.00 0.00 H new ATOM 0 HA CYS B2331 9.093 7.267 -31.023 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.561 7.178 -30.441 1.00 0.00 H new ATOM 0 HB3 CYS B2331 11.128 6.906 -28.765 1.00 0.00 H new ATOM 0 HG CYS B2331 11.778 4.389 -29.924 1.00 0.00 H new ATOM 854 N ILE B2332 8.408 7.387 -27.772 1.00 0.00 N ATOM 855 CA ILE B2332 7.524 6.819 -26.734 1.00 0.00 C ATOM 856 C ILE B2332 6.104 7.420 -26.683 1.00 0.00 C ATOM 857 O ILE B2332 5.210 6.777 -26.123 1.00 0.00 O ATOM 858 CB ILE B2332 8.183 6.809 -25.336 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.435 8.213 -24.747 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.483 5.981 -25.372 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.590 8.193 -23.220 1.00 0.00 C ATOM 0 H ILE B2332 9.034 8.117 -27.432 1.00 0.00 H new ATOM 0 HA ILE B2332 7.383 5.785 -27.050 1.00 0.00 H new ATOM 0 HB ILE B2332 7.466 6.341 -24.661 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.335 8.635 -25.194 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.608 8.870 -25.016 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.941 5.979 -24.383 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.254 4.957 -25.668 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.174 6.420 -26.091 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.765 9.206 -22.859 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.680 7.799 -22.767 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.435 7.560 -22.948 1.00 0.00 H new