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= 0.588 USER MOD Single : A 532 THR OG1 : rot -58:sc= 0.617 USER MOD Single : A 542 HIS : no HD1:sc= 0.0622 K(o=0.062,f=-0.51) USER MOD Single : A 543 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 544 THR OG1 : rot -47:sc= 0.00929 USER MOD Single : A 547 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.0342 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 24.027 17.126 -14.307 1.00 0.00 N ATOM 117 CA LEU A 523 23.400 17.098 -15.637 1.00 0.00 C ATOM 118 C LEU A 523 22.940 18.502 -16.128 1.00 0.00 C ATOM 119 O LEU A 523 22.650 19.375 -15.300 1.00 0.00 O ATOM 120 CB LEU A 523 22.287 16.022 -15.642 1.00 0.00 C ATOM 121 CG LEU A 523 20.890 16.465 -15.144 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.874 16.406 -16.286 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.378 15.561 -14.021 1.00 0.00 C ATOM 0 HA LEU A 523 24.145 16.812 -16.379 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.182 15.646 -16.660 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.619 15.186 -15.026 1.00 0.00 H new ATOM 0 HG LEU A 523 20.997 17.484 -14.772 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.897 16.720 -15.920 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.191 17.070 -17.090 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.809 15.385 -16.663 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.395 15.904 -13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.304 14.536 -14.384 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.070 15.598 -13.180 1.00 0.00 H new ATOM 135 N PRO A 524 22.860 18.745 -17.454 1.00 0.00 N ATOM 136 CA PRO A 524 22.489 20.049 -18.018 1.00 0.00 C ATOM 137 C PRO A 524 21.018 20.450 -17.747 1.00 0.00 C ATOM 138 O PRO A 524 20.155 19.583 -17.576 1.00 0.00 O ATOM 139 CB PRO A 524 22.803 19.953 -19.517 1.00 0.00 C ATOM 140 CG PRO A 524 22.749 18.457 -19.810 1.00 0.00 C ATOM 141 CD PRO A 524 23.237 17.822 -18.513 1.00 0.00 C ATOM 0 HA PRO A 524 23.056 20.846 -17.537 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.075 20.503 -20.113 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.784 20.370 -19.747 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.739 18.133 -20.060 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.387 18.190 -20.652 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.780 16.844 -18.360 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.316 17.670 -18.534 1.00 0.00 H new ATOM 149 N PRO A 525 20.700 21.761 -17.717 1.00 0.00 N ATOM 150 CA PRO A 525 19.414 22.282 -17.239 1.00 0.00 C ATOM 151 C PRO A 525 18.247 21.974 -18.193 1.00 0.00 C ATOM 152 O PRO A 525 18.174 22.512 -19.299 1.00 0.00 O ATOM 153 CB PRO A 525 19.631 23.792 -17.066 1.00 0.00 C ATOM 154 CG PRO A 525 20.736 24.118 -18.071 1.00 0.00 C ATOM 155 CD PRO A 525 21.601 22.861 -18.038 1.00 0.00 C ATOM 0 HA PRO A 525 19.123 21.802 -16.305 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.721 24.354 -17.276 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.931 24.039 -16.048 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.335 24.307 -19.067 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.299 25.005 -17.780 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.089 22.698 -18.999 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.390 22.950 -17.291 1.00 0.00 H new ATOM 163 N GLY A 526 17.309 21.124 -17.761 1.00 0.00 N ATOM 164 CA GLY A 526 16.112 20.760 -18.536 1.00 0.00 C ATOM 165 C GLY A 526 16.395 19.983 -19.833 1.00 0.00 C ATOM 166 O GLY A 526 15.586 20.022 -20.763 1.00 0.00 O ATOM 0 H GLY A 526 17.358 20.663 -16.853 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.457 20.160 -17.905 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.567 21.671 -18.786 1.00 0.00 H new ATOM 170 N TRP A 527 17.530 19.281 -19.891 1.00 0.00 N ATOM 171 CA TRP A 527 17.996 18.477 -21.029 1.00 0.00 C ATOM 172 C TRP A 527 18.122 16.992 -20.647 1.00 0.00 C ATOM 173 O TRP A 527 18.278 16.632 -19.479 1.00 0.00 O ATOM 174 CB TRP A 527 19.363 19.009 -21.501 1.00 0.00 C ATOM 175 CG TRP A 527 19.363 20.159 -22.464 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.521 21.462 -22.141 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.273 20.125 -23.924 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.505 22.235 -23.286 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.358 21.462 -24.418 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.152 19.098 -24.885 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.307 21.765 -25.788 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.086 19.390 -26.263 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.165 20.719 -26.715 1.00 0.00 C ATOM 0 H TRP A 527 18.183 19.255 -19.108 1.00 0.00 H new ATOM 0 HA TRP A 527 17.265 18.559 -21.833 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.930 19.308 -20.620 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.904 18.183 -21.963 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.642 21.842 -21.137 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.591 23.251 -23.293 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.109 18.069 -24.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.376 22.789 -26.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.974 18.587 -26.976 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.117 20.935 -27.772 1.00 0.00 H new ATOM 194 N GLU A 528 18.129 16.133 -21.663 1.00 0.00 N ATOM 195 CA GLU A 528 18.461 14.708 -21.594 1.00 0.00 C ATOM 196 C GLU A 528 19.544 14.394 -22.640 1.00 0.00 C ATOM 197 O GLU A 528 19.675 15.084 -23.654 1.00 0.00 O ATOM 198 CB GLU A 528 17.166 13.884 -21.772 1.00 0.00 C ATOM 199 CG GLU A 528 17.307 12.388 -22.114 1.00 0.00 C ATOM 200 CD GLU A 528 17.907 11.535 -20.974 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.875 11.980 -20.315 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.421 10.400 -20.748 1.00 0.00 O ATOM 0 H GLU A 528 17.890 16.426 -22.610 1.00 0.00 H new ATOM 0 HA GLU A 528 18.876 14.437 -20.623 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.589 13.964 -20.851 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.576 14.353 -22.559 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.325 11.991 -22.372 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.935 12.286 -22.999 1.00 0.00 H new ATOM 209 N ILE A 529 20.347 13.362 -22.382 1.00 0.00 N ATOM 210 CA ILE A 529 21.511 12.971 -23.186 1.00 0.00 C ATOM 211 C ILE A 529 21.576 11.444 -23.235 1.00 0.00 C ATOM 212 O ILE A 529 21.482 10.787 -22.194 1.00 0.00 O ATOM 213 CB ILE A 529 22.846 13.531 -22.621 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.774 14.966 -22.049 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.901 13.503 -23.736 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.329 14.994 -20.578 1.00 0.00 C ATOM 0 H ILE A 529 20.202 12.751 -21.578 1.00 0.00 H new ATOM 0 HA ILE A 529 21.388 13.393 -24.184 1.00 0.00 H new ATOM 0 HB ILE A 529 23.102 12.888 -21.779 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.752 15.438 -22.138 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.080 15.557 -22.646 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.844 13.893 -23.354 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.044 12.477 -24.076 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.565 14.118 -24.571 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.296 16.026 -20.228 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.338 14.548 -20.489 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.037 14.428 -19.973 1.00 0.00 H new ATOM 228 N ARG A 530 21.753 10.872 -24.430 1.00 0.00 N ATOM 229 CA ARG A 530 21.813 9.415 -24.641 1.00 0.00 C ATOM 230 C ARG A 530 22.994 9.019 -25.527 1.00 0.00 C ATOM 231 O ARG A 530 23.462 9.804 -26.351 1.00 0.00 O ATOM 232 CB ARG A 530 20.469 8.889 -25.191 1.00 0.00 C ATOM 233 CG ARG A 530 19.300 9.141 -24.216 1.00 0.00 C ATOM 234 CD ARG A 530 18.109 8.199 -24.435 1.00 0.00 C ATOM 235 NE ARG A 530 17.451 8.393 -25.743 1.00 0.00 N ATOM 236 CZ ARG A 530 16.570 7.580 -26.302 1.00 0.00 C ATOM 237 NH1 ARG A 530 16.223 6.448 -25.757 1.00 0.00 N ATOM 238 NH2 ARG A 530 15.999 7.905 -27.424 1.00 0.00 N ATOM 0 H ARG A 530 21.860 11.410 -25.290 1.00 0.00 H new ATOM 0 HA ARG A 530 21.982 8.940 -23.674 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.255 9.372 -26.144 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.552 7.820 -25.387 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.659 9.028 -23.193 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.963 10.172 -24.324 1.00 0.00 H new ATOM 0 HD2 ARG A 530 18.450 7.167 -24.356 1.00 0.00 H new ATOM 0 HD3 ARG A 530 17.379 8.355 -23.641 1.00 0.00 H new ATOM 0 HE ARG A 530 17.699 9.234 -26.265 1.00 0.00 H new ATOM 0 HH11 ARG A 530 16.635 6.162 -24.869 1.00 0.00 H new ATOM 0 HH12 ARG A 530 15.540 5.848 -26.219 1.00 0.00 H new ATOM 0 HH21 ARG A 530 16.230 8.790 -27.876 1.00 0.00 H new ATOM 0 HH22 ARG A 530 15.320 7.275 -27.852 1.00 0.00 H new ATOM 252 N TYR A 531 23.452 7.783 -25.344 1.00 0.00 N ATOM 253 CA TYR A 531 24.623 7.185 -25.992 1.00 0.00 C ATOM 254 C TYR A 531 24.165 5.965 -26.797 1.00 0.00 C ATOM 255 O TYR A 531 23.894 4.897 -26.240 1.00 0.00 O ATOM 256 CB TYR A 531 25.662 6.781 -24.933 1.00 0.00 C ATOM 257 CG TYR A 531 26.498 7.909 -24.356 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.977 8.747 -23.348 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.830 8.073 -24.785 1.00 0.00 C ATOM 260 CE1 TYR A 531 26.792 9.736 -22.762 1.00 0.00 C ATOM 261 CE2 TYR A 531 28.651 9.050 -24.191 1.00 0.00 C ATOM 262 CZ TYR A 531 28.137 9.876 -23.170 1.00 0.00 C ATOM 263 OH TYR A 531 28.928 10.822 -22.595 1.00 0.00 O ATOM 0 H TYR A 531 22.993 7.134 -24.705 1.00 0.00 H new ATOM 0 HA TYR A 531 25.090 7.906 -26.662 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.142 6.285 -24.113 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.335 6.046 -25.375 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.953 8.631 -23.025 1.00 0.00 H new ATOM 0 HD2 TYR A 531 28.223 7.447 -25.573 1.00 0.00 H new ATOM 0 HE1 TYR A 531 26.388 10.387 -22.001 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.674 9.167 -24.517 1.00 0.00 H new ATOM 0 HH TYR A 531 29.824 10.783 -22.990 1.00 0.00 H new ATOM 273 N THR A 532 24.012 6.144 -28.107 1.00 0.00 N ATOM 274 CA THR A 532 23.522 5.093 -29.015 1.00 0.00 C ATOM 275 C THR A 532 24.606 4.042 -29.299 1.00 0.00 C ATOM 276 O THR A 532 25.806 4.331 -29.249 1.00 0.00 O ATOM 277 CB THR A 532 22.988 5.688 -30.327 1.00 0.00 C ATOM 278 OG1 THR A 532 24.021 6.284 -31.074 1.00 0.00 O ATOM 279 CG2 THR A 532 21.895 6.736 -30.100 1.00 0.00 C ATOM 0 H THR A 532 24.224 7.024 -28.577 1.00 0.00 H new ATOM 0 HA THR A 532 22.695 4.594 -28.509 1.00 0.00 H new ATOM 0 HB THR A 532 22.560 4.849 -30.876 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.448 6.986 -30.540 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.556 7.122 -31.061 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.056 6.279 -29.576 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.294 7.555 -29.501 1.00 0.00 H new ATOM 287 N ALA A 533 24.194 2.810 -29.620 1.00 0.00 N ATOM 288 CA ALA A 533 25.092 1.659 -29.796 1.00 0.00 C ATOM 289 C ALA A 533 26.109 1.790 -30.957 1.00 0.00 C ATOM 290 O ALA A 533 27.078 1.030 -31.015 1.00 0.00 O ATOM 291 CB ALA A 533 24.230 0.400 -29.947 1.00 0.00 C ATOM 0 H ALA A 533 23.211 2.579 -29.768 1.00 0.00 H new ATOM 0 HA ALA A 533 25.722 1.603 -28.908 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.875 -0.469 -30.079 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.621 0.267 -29.053 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.581 0.506 -30.816 1.00 0.00 H new ATOM 297 N ALA A 534 25.926 2.764 -31.858 1.00 0.00 N ATOM 298 CA ALA A 534 26.900 3.128 -32.894 1.00 0.00 C ATOM 299 C ALA A 534 28.165 3.834 -32.344 1.00 0.00 C ATOM 300 O ALA A 534 29.121 4.050 -33.094 1.00 0.00 O ATOM 301 CB ALA A 534 26.183 4.012 -33.924 1.00 0.00 C ATOM 0 H ALA A 534 25.079 3.332 -31.887 1.00 0.00 H new ATOM 0 HA ALA A 534 27.268 2.210 -33.351 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.884 4.299 -34.708 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.353 3.459 -34.364 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.802 4.907 -33.433 1.00 0.00 H new ATOM 307 N GLY A 535 28.181 4.208 -31.057 1.00 0.00 N ATOM 308 CA GLY A 535 29.255 4.996 -30.439 1.00 0.00 C ATOM 309 C GLY A 535 29.037 6.505 -30.595 1.00 0.00 C ATOM 310 O GLY A 535 29.996 7.250 -30.801 1.00 0.00 O ATOM 0 H GLY A 535 27.434 3.967 -30.405 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.320 4.749 -29.379 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.209 4.721 -30.889 1.00 0.00 H new ATOM 314 N GLU A 536 27.778 6.955 -30.548 1.00 0.00 N ATOM 315 CA GLU A 536 27.370 8.331 -30.863 1.00 0.00 C ATOM 316 C GLU A 536 26.454 8.904 -29.769 1.00 0.00 C ATOM 317 O GLU A 536 25.373 8.370 -29.491 1.00 0.00 O ATOM 318 CB GLU A 536 26.680 8.386 -32.239 1.00 0.00 C ATOM 319 CG GLU A 536 27.562 7.894 -33.393 1.00 0.00 C ATOM 320 CD GLU A 536 26.965 8.278 -34.760 1.00 0.00 C ATOM 321 OE1 GLU A 536 25.886 7.756 -35.141 1.00 0.00 O ATOM 322 OE2 GLU A 536 27.594 9.105 -35.463 1.00 0.00 O ATOM 0 H GLU A 536 26.994 6.358 -30.283 1.00 0.00 H new ATOM 0 HA GLU A 536 28.267 8.949 -30.901 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.773 7.783 -32.205 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.373 9.412 -32.441 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.560 8.321 -33.297 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.671 6.811 -33.333 1.00 0.00 H new ATOM 329 N ARG A 537 26.904 9.998 -29.139 1.00 0.00 N ATOM 330 CA ARG A 537 26.153 10.788 -28.151 1.00 0.00 C ATOM 331 C ARG A 537 25.216 11.779 -28.850 1.00 0.00 C ATOM 332 O ARG A 537 25.627 12.474 -29.779 1.00 0.00 O ATOM 333 CB ARG A 537 27.161 11.485 -27.214 1.00 0.00 C ATOM 334 CG ARG A 537 26.569 12.560 -26.282 1.00 0.00 C ATOM 335 CD ARG A 537 27.554 12.863 -25.141 1.00 0.00 C ATOM 336 NE ARG A 537 27.289 14.151 -24.468 1.00 0.00 N ATOM 337 CZ ARG A 537 27.690 14.504 -23.255 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.270 13.679 -22.431 1.00 0.00 N ATOM 339 NH2 ARG A 537 27.517 15.721 -22.827 1.00 0.00 N ATOM 0 H ARG A 537 27.837 10.372 -29.310 1.00 0.00 H new ATOM 0 HA ARG A 537 25.515 10.140 -27.550 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.646 10.725 -26.601 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.938 11.946 -27.824 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.362 13.469 -26.846 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.619 12.216 -25.873 1.00 0.00 H new ATOM 0 HD2 ARG A 537 27.506 12.060 -24.406 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.569 12.871 -25.539 1.00 0.00 H new ATOM 0 HE ARG A 537 26.743 14.837 -24.989 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.434 12.711 -22.709 1.00 0.00 H new ATOM 0 HH12 ARG A 537 28.560 14.000 -21.507 1.00 0.00 H new ATOM 0 HH21 ARG A 537 27.069 16.414 -23.427 1.00 0.00 H new ATOM 0 HH22 ARG A 537 27.829 15.982 -21.892 1.00 0.00 H new ATOM 353 N PHE A 538 23.984 11.880 -28.359 1.00 0.00 N ATOM 354 CA PHE A 538 22.959 12.819 -28.825 1.00 0.00 C ATOM 355 C PHE A 538 22.249 13.475 -27.636 1.00 0.00 C ATOM 356 O PHE A 538 22.165 12.900 -26.547 1.00 0.00 O ATOM 357 CB PHE A 538 21.926 12.090 -29.698 1.00 0.00 C ATOM 358 CG PHE A 538 22.434 11.584 -31.036 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.356 12.404 -32.179 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.941 10.276 -31.150 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.775 11.914 -33.430 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.360 9.788 -32.400 1.00 0.00 C ATOM 363 CZ PHE A 538 23.282 10.607 -33.539 1.00 0.00 C ATOM 0 H PHE A 538 23.656 11.288 -27.596 1.00 0.00 H new ATOM 0 HA PHE A 538 23.450 13.592 -29.416 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.535 11.243 -29.135 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.090 12.765 -29.880 1.00 0.00 H new ATOM 0 HD1 PHE A 538 21.974 13.411 -32.095 1.00 0.00 H new ATOM 0 HD2 PHE A 538 23.008 9.646 -30.275 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.707 12.542 -34.306 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.743 8.782 -32.485 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.611 10.233 -34.497 1.00 0.00 H new ATOM 373 N PHE A 539 21.692 14.661 -27.870 1.00 0.00 N ATOM 374 CA PHE A 539 20.999 15.478 -26.877 1.00 0.00 C ATOM 375 C PHE A 539 19.513 15.614 -27.237 1.00 0.00 C ATOM 376 O PHE A 539 19.133 15.635 -28.412 1.00 0.00 O ATOM 377 CB PHE A 539 21.659 16.861 -26.800 1.00 0.00 C ATOM 378 CG PHE A 539 23.132 16.887 -26.429 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.118 16.706 -27.418 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.519 17.174 -25.106 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.481 16.822 -27.091 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.882 17.304 -24.780 1.00 0.00 C ATOM 383 CZ PHE A 539 25.863 17.137 -25.775 1.00 0.00 C ATOM 0 H PHE A 539 21.712 15.096 -28.792 1.00 0.00 H new ATOM 0 HA PHE A 539 21.071 14.993 -25.904 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.542 17.350 -27.767 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.113 17.460 -26.072 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.826 16.477 -28.432 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.768 17.295 -24.339 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.234 16.669 -27.850 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.175 17.532 -23.766 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.908 17.251 -25.528 1.00 0.00 H new ATOM 393 N VAL A 540 18.678 15.729 -26.206 1.00 0.00 N ATOM 394 CA VAL A 540 17.213 15.673 -26.257 1.00 0.00 C ATOM 395 C VAL A 540 16.637 16.785 -25.377 1.00 0.00 C ATOM 396 O VAL A 540 16.924 16.859 -24.181 1.00 0.00 O ATOM 397 CB VAL A 540 16.724 14.302 -25.741 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.195 14.199 -25.728 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.263 13.110 -26.546 1.00 0.00 C ATOM 0 H VAL A 540 19.023 15.872 -25.257 1.00 0.00 H new ATOM 0 HA VAL A 540 16.880 15.807 -27.286 1.00 0.00 H new ATOM 0 HB VAL A 540 17.118 14.249 -24.726 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.900 13.217 -25.358 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.784 14.971 -25.078 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.813 14.335 -26.740 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.877 12.182 -26.125 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.943 13.198 -27.584 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.352 13.103 -26.501 1.00 0.00 H new ATOM 409 N ASP A 541 15.792 17.631 -25.957 1.00 0.00 N ATOM 410 CA ASP A 541 15.099 18.719 -25.271 1.00 0.00 C ATOM 411 C ASP A 541 13.611 18.371 -25.090 1.00 0.00 C ATOM 412 O ASP A 541 12.886 18.140 -26.060 1.00 0.00 O ATOM 413 CB ASP A 541 15.280 20.014 -26.074 1.00 0.00 C ATOM 414 CG ASP A 541 14.465 21.146 -25.447 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.968 21.827 -24.524 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.285 21.302 -25.824 1.00 0.00 O ATOM 0 H ASP A 541 15.562 17.578 -26.949 1.00 0.00 H new ATOM 0 HA ASP A 541 15.524 18.863 -24.278 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.335 20.288 -26.102 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.964 19.857 -27.105 1.00 0.00 H new ATOM 421 N HIS A 542 13.146 18.329 -23.838 1.00 0.00 N ATOM 422 CA HIS A 542 11.742 18.031 -23.505 1.00 0.00 C ATOM 423 C HIS A 542 10.812 19.256 -23.596 1.00 0.00 C ATOM 424 O HIS A 542 9.589 19.116 -23.535 1.00 0.00 O ATOM 425 CB HIS A 542 11.668 17.425 -22.094 1.00 0.00 C ATOM 426 CG HIS A 542 12.528 16.202 -21.863 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.127 15.868 -20.644 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.827 15.231 -22.778 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.774 14.710 -20.853 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.617 14.309 -22.126 1.00 0.00 N ATOM 0 H HIS A 542 13.732 18.501 -23.021 1.00 0.00 H new ATOM 0 HA HIS A 542 11.387 17.320 -24.251 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.955 18.191 -21.373 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.631 17.163 -21.884 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.507 15.194 -23.809 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.340 14.176 -20.104 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.015 13.466 -22.539 1.00 0.00 H new ATOM 437 N ASN A 543 11.368 20.464 -23.727 1.00 0.00 N ATOM 438 CA ASN A 543 10.621 21.726 -23.749 1.00 0.00 C ATOM 439 C ASN A 543 9.898 21.963 -25.093 1.00 0.00 C ATOM 440 O ASN A 543 8.800 22.525 -25.107 1.00 0.00 O ATOM 441 CB ASN A 543 11.578 22.882 -23.397 1.00 0.00 C ATOM 442 CG ASN A 543 12.310 22.638 -22.086 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.734 22.703 -21.007 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.578 22.300 -22.135 1.00 0.00 N ATOM 0 H ASN A 543 12.375 20.595 -23.823 1.00 0.00 H new ATOM 0 HA ASN A 543 9.830 21.675 -23.000 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.305 23.008 -24.200 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.013 23.812 -23.329 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.084 22.091 -21.274 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.057 22.246 -23.034 1.00 0.00 H new ATOM 451 N THR A 544 10.469 21.485 -26.207 1.00 0.00 N ATOM 452 CA THR A 544 9.899 21.567 -27.572 1.00 0.00 C ATOM 453 C THR A 544 10.011 20.253 -28.368 1.00 0.00 C ATOM 454 O THR A 544 9.728 20.229 -29.569 1.00 0.00 O ATOM 455 CB THR A 544 10.531 22.718 -28.383 1.00 0.00 C ATOM 456 OG1 THR A 544 11.901 22.470 -28.613 1.00 0.00 O ATOM 457 CG2 THR A 544 10.415 24.082 -27.697 1.00 0.00 C ATOM 0 H THR A 544 11.373 21.013 -26.189 1.00 0.00 H new ATOM 0 HA THR A 544 8.838 21.766 -27.424 1.00 0.00 H new ATOM 0 HB THR A 544 9.971 22.753 -29.318 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.327 22.188 -27.777 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.880 24.844 -28.322 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.363 24.326 -27.548 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.919 24.048 -26.731 1.00 0.00 H new ATOM 465 N ARG A 545 10.410 19.148 -27.711 1.00 0.00 N ATOM 466 CA ARG A 545 10.635 17.791 -28.274 1.00 0.00 C ATOM 467 C ARG A 545 11.856 17.681 -29.213 1.00 0.00 C ATOM 468 O ARG A 545 12.071 16.629 -29.820 1.00 0.00 O ATOM 469 CB ARG A 545 9.344 17.268 -28.945 1.00 0.00 C ATOM 470 CG ARG A 545 9.118 15.754 -28.774 1.00 0.00 C ATOM 471 CD ARG A 545 8.208 15.168 -29.865 1.00 0.00 C ATOM 472 NE ARG A 545 6.951 15.923 -30.033 1.00 0.00 N ATOM 473 CZ ARG A 545 6.068 15.775 -31.006 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.178 14.867 -31.931 1.00 0.00 N ATOM 475 NH2 ARG A 545 5.029 16.560 -31.066 1.00 0.00 N ATOM 0 H ARG A 545 10.597 19.174 -26.709 1.00 0.00 H new ATOM 0 HA ARG A 545 10.884 17.149 -27.429 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.489 17.802 -28.530 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.379 17.502 -30.009 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.080 15.242 -28.794 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.676 15.564 -27.796 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.747 15.155 -30.812 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.973 14.133 -29.618 1.00 0.00 H new ATOM 0 HE ARG A 545 6.743 16.630 -29.328 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.973 14.228 -31.927 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.469 14.794 -32.661 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.898 17.287 -30.363 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.347 16.447 -31.816 1.00 0.00 H new ATOM 489 N ARG A 546 12.629 18.761 -29.376 1.00 0.00 N ATOM 490 CA ARG A 546 13.783 18.869 -30.291 1.00 0.00 C ATOM 491 C ARG A 546 14.979 18.000 -29.877 1.00 0.00 C ATOM 492 O ARG A 546 15.092 17.554 -28.735 1.00 0.00 O ATOM 493 CB ARG A 546 14.186 20.354 -30.407 1.00 0.00 C ATOM 494 CG ARG A 546 13.260 21.153 -31.345 1.00 0.00 C ATOM 495 CD ARG A 546 13.506 20.869 -32.836 1.00 0.00 C ATOM 496 NE ARG A 546 14.835 21.353 -33.269 1.00 0.00 N ATOM 497 CZ ARG A 546 15.571 20.902 -34.270 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.181 19.928 -35.042 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.733 21.436 -34.518 1.00 0.00 N ATOM 0 H ARG A 546 12.465 19.622 -28.855 1.00 0.00 H new ATOM 0 HA ARG A 546 13.474 18.483 -31.263 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.171 20.808 -29.416 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.211 20.420 -30.773 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.223 20.919 -31.105 1.00 0.00 H new ATOM 0 HG3 ARG A 546 13.398 22.218 -31.158 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.430 19.797 -33.020 1.00 0.00 H new ATOM 0 HD3 ARG A 546 12.731 21.351 -33.432 1.00 0.00 H new ATOM 0 HE ARG A 546 15.230 22.125 -32.732 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.277 19.483 -34.885 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.780 19.610 -35.804 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.076 22.203 -33.939 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.300 21.087 -35.291 1.00 0.00 H new ATOM 513 N THR A 547 15.898 17.795 -30.819 1.00 0.00 N ATOM 514 CA THR A 547 17.097 16.948 -30.679 1.00 0.00 C ATOM 515 C THR A 547 18.276 17.490 -31.491 1.00 0.00 C ATOM 516 O THR A 547 18.083 18.213 -32.472 1.00 0.00 O ATOM 517 CB THR A 547 16.822 15.506 -31.149 1.00 0.00 C ATOM 518 OG1 THR A 547 16.133 15.480 -32.387 1.00 0.00 O ATOM 519 CG2 THR A 547 15.981 14.721 -30.145 1.00 0.00 C ATOM 0 H THR A 547 15.832 18.228 -31.740 1.00 0.00 H new ATOM 0 HA THR A 547 17.349 16.956 -29.619 1.00 0.00 H new ATOM 0 HB THR A 547 17.804 15.045 -31.251 1.00 0.00 H new ATOM 0 HG1 THR A 547 15.977 14.550 -32.655 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.814 13.712 -30.521 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.506 14.671 -29.191 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.022 15.219 -30.005 1.00 0.00 H new ATOM 527 N THR A 548 19.503 17.124 -31.107 1.00 0.00 N ATOM 528 CA THR A 548 20.744 17.520 -31.804 1.00 0.00 C ATOM 529 C THR A 548 21.920 16.584 -31.477 1.00 0.00 C ATOM 530 O THR A 548 21.913 15.879 -30.465 1.00 0.00 O ATOM 531 CB THR A 548 21.087 18.995 -31.500 1.00 0.00 C ATOM 532 OG1 THR A 548 22.297 19.367 -32.125 1.00 0.00 O ATOM 533 CG2 THR A 548 21.207 19.309 -30.010 1.00 0.00 C ATOM 0 H THR A 548 19.671 16.535 -30.291 1.00 0.00 H new ATOM 0 HA THR A 548 20.566 17.425 -32.875 1.00 0.00 H new ATOM 0 HB THR A 548 20.247 19.567 -31.895 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.495 20.305 -31.922 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.449 20.364 -29.879 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.261 19.090 -29.515 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.996 18.698 -29.572 1.00 0.00 H new ATOM 541 N PHE A 549 22.932 16.560 -32.349 1.00 0.00 N ATOM 542 CA PHE A 549 24.184 15.807 -32.188 1.00 0.00 C ATOM 543 C PHE A 549 25.291 16.609 -31.464 1.00 0.00 C ATOM 544 O PHE A 549 26.300 16.044 -31.041 1.00 0.00 O ATOM 545 CB PHE A 549 24.646 15.370 -33.589 1.00 0.00 C ATOM 546 CG PHE A 549 25.903 14.518 -33.621 1.00 0.00 C ATOM 547 CD1 PHE A 549 25.937 13.290 -32.934 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.049 14.959 -34.314 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.105 12.511 -32.932 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.218 14.175 -34.316 1.00 0.00 C ATOM 551 CZ PHE A 549 28.244 12.951 -33.625 1.00 0.00 C ATOM 0 H PHE A 549 22.902 17.085 -33.223 1.00 0.00 H new ATOM 0 HA PHE A 549 23.994 14.944 -31.550 1.00 0.00 H new ATOM 0 HB2 PHE A 549 23.837 14.814 -34.063 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.816 16.262 -34.192 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.060 12.945 -32.406 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.030 15.900 -34.844 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.127 11.573 -32.397 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.095 14.514 -34.848 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.141 12.349 -33.627 1.00 0.00 H new ATOM 561 N GLU A 550 25.108 17.920 -31.288 1.00 0.00 N ATOM 562 CA GLU A 550 26.093 18.841 -30.696 1.00 0.00 C ATOM 563 C GLU A 550 25.475 19.693 -29.568 1.00 0.00 C ATOM 564 O GLU A 550 24.363 19.421 -29.119 1.00 0.00 O ATOM 565 CB GLU A 550 26.760 19.670 -31.816 1.00 0.00 C ATOM 566 CG GLU A 550 25.834 20.677 -32.516 1.00 0.00 C ATOM 567 CD GLU A 550 26.552 21.354 -33.700 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.345 22.301 -33.475 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.327 20.950 -34.868 1.00 0.00 O ATOM 0 H GLU A 550 24.244 18.389 -31.561 1.00 0.00 H new ATOM 0 HA GLU A 550 26.881 18.268 -30.207 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.606 20.211 -31.393 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.161 18.986 -32.564 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.939 20.167 -32.872 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.508 21.434 -31.803 1.00 0.00 H new ATOM 756 N PRO B2325 19.025 7.835 -35.346 1.00 0.00 N ATOM 757 CA PRO B2325 18.183 9.018 -35.159 1.00 0.00 C ATOM 758 C PRO B2325 17.683 9.119 -33.700 1.00 0.00 C ATOM 759 O PRO B2325 17.026 8.187 -33.221 1.00 0.00 O ATOM 760 CB PRO B2325 17.032 8.868 -36.162 1.00 0.00 C ATOM 761 CG PRO B2325 16.930 7.360 -36.387 1.00 0.00 C ATOM 762 CD PRO B2325 18.372 6.877 -36.229 1.00 0.00 C ATOM 0 HA PRO B2325 18.732 9.943 -35.338 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.102 9.276 -35.766 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.242 9.397 -37.092 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.267 6.890 -35.660 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.535 7.128 -37.376 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.402 5.873 -35.805 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.876 6.831 -37.195 1.00 0.00 H new ATOM 770 N PRO B2326 17.971 10.215 -32.968 1.00 0.00 N ATOM 771 CA PRO B2326 17.511 10.385 -31.592 1.00 0.00 C ATOM 772 C PRO B2326 15.998 10.663 -31.543 1.00 0.00 C ATOM 773 O PRO B2326 15.518 11.666 -32.072 1.00 0.00 O ATOM 774 CB PRO B2326 18.342 11.542 -31.026 1.00 0.00 C ATOM 775 CG PRO B2326 18.655 12.388 -32.259 1.00 0.00 C ATOM 776 CD PRO B2326 18.797 11.348 -33.368 1.00 0.00 C ATOM 0 HA PRO B2326 17.650 9.483 -30.996 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.786 12.109 -30.280 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.251 11.185 -30.542 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.857 13.099 -32.473 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.570 12.966 -32.129 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.468 11.752 -34.325 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.838 11.048 -33.490 1.00 0.00 H new ATOM 784 N SER B2327 15.257 9.783 -30.864 1.00 0.00 N ATOM 785 CA SER B2327 13.803 9.881 -30.656 1.00 0.00 C ATOM 786 C SER B2327 13.439 9.356 -29.264 1.00 0.00 C ATOM 787 O SER B2327 13.288 8.149 -29.068 1.00 0.00 O ATOM 788 CB SER B2327 13.029 9.105 -31.737 1.00 0.00 C ATOM 789 OG SER B2327 13.249 9.645 -33.031 1.00 0.00 O ATOM 0 H SER B2327 15.662 8.955 -30.428 1.00 0.00 H new ATOM 0 HA SER B2327 13.519 10.931 -30.731 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.335 8.059 -31.723 1.00 0.00 H new ATOM 0 HB3 SER B2327 11.963 9.129 -31.509 1.00 0.00 H new ATOM 0 HG SER B2327 12.744 9.127 -33.692 1.00 0.00 H new ATOM 795 N TYR B2328 13.361 10.252 -28.276 1.00 0.00 N ATOM 796 CA TYR B2328 12.932 9.930 -26.908 1.00 0.00 C ATOM 797 C TYR B2328 11.406 10.102 -26.795 1.00 0.00 C ATOM 798 O TYR B2328 10.665 9.168 -27.107 1.00 0.00 O ATOM 799 CB TYR B2328 13.747 10.785 -25.924 1.00 0.00 C ATOM 800 CG TYR B2328 13.537 10.482 -24.449 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.075 9.308 -23.886 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.839 11.390 -23.629 1.00 0.00 C ATOM 803 CE1 TYR B2328 13.915 9.042 -22.513 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.663 11.122 -22.257 1.00 0.00 C ATOM 805 CZ TYR B2328 13.206 9.946 -21.693 1.00 0.00 C ATOM 806 OH TYR B2328 13.050 9.680 -20.366 1.00 0.00 O ATOM 0 H TYR B2328 13.597 11.236 -28.404 1.00 0.00 H new ATOM 0 HA TYR B2328 13.130 8.889 -26.653 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.805 10.659 -26.154 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.505 11.834 -26.098 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.612 8.609 -24.510 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.436 12.297 -24.055 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.336 8.144 -22.086 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.114 11.815 -21.637 1.00 0.00 H new ATOM 0 HH TYR B2328 12.539 10.403 -19.945 1.00 0.00 H new ATOM 816 N GLU B2329 10.908 11.306 -26.481 1.00 0.00 N ATOM 817 CA GLU B2329 9.465 11.607 -26.490 1.00 0.00 C ATOM 818 C GLU B2329 8.832 11.381 -27.869 1.00 0.00 C ATOM 819 O GLU B2329 7.723 10.862 -27.961 1.00 0.00 O ATOM 820 CB GLU B2329 9.189 13.045 -26.025 1.00 0.00 C ATOM 821 CG GLU B2329 9.361 13.213 -24.511 1.00 0.00 C ATOM 822 CD GLU B2329 8.844 14.588 -24.049 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.420 15.620 -24.467 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.861 14.641 -23.269 1.00 0.00 O ATOM 0 H GLU B2329 11.491 12.099 -26.214 1.00 0.00 H new ATOM 0 HA GLU B2329 9.005 10.912 -25.788 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.864 13.727 -26.542 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.174 13.326 -26.306 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.821 12.423 -23.990 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.413 13.108 -24.246 1.00 0.00 H new ATOM 831 N ASP B2330 9.553 11.693 -28.950 1.00 0.00 N ATOM 832 CA ASP B2330 9.074 11.487 -30.323 1.00 0.00 C ATOM 833 C ASP B2330 8.863 10.003 -30.701 1.00 0.00 C ATOM 834 O ASP B2330 8.199 9.709 -31.698 1.00 0.00 O ATOM 835 CB ASP B2330 10.027 12.187 -31.303 1.00 0.00 C ATOM 836 CG ASP B2330 9.331 12.490 -32.638 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.333 13.245 -32.621 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.795 12.006 -33.701 1.00 0.00 O ATOM 0 H ASP B2330 10.488 12.097 -28.899 1.00 0.00 H new ATOM 0 HA ASP B2330 8.081 11.933 -30.387 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.390 13.115 -30.861 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.898 11.556 -31.480 1.00 0.00 H new ATOM 843 N CYS B2331 9.379 9.066 -29.892 1.00 0.00 N ATOM 844 CA CYS B2331 9.100 7.632 -30.003 1.00 0.00 C ATOM 845 C CYS B2331 8.018 7.170 -29.003 1.00 0.00 C ATOM 846 O CYS B2331 7.141 6.387 -29.378 1.00 0.00 O ATOM 847 CB CYS B2331 10.419 6.873 -29.796 1.00 0.00 C ATOM 848 SG CYS B2331 10.204 5.098 -30.128 1.00 0.00 S ATOM 0 H CYS B2331 10.015 9.292 -29.127 1.00 0.00 H new ATOM 0 HA CYS B2331 8.698 7.418 -30.993 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.185 7.280 -30.456 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.769 7.016 -28.774 1.00 0.00 H new ATOM 0 HG CYS B2331 11.335 4.483 -29.947 1.00 0.00 H new ATOM 854 N ILE B2332 8.047 7.650 -27.748 1.00 0.00 N ATOM 855 CA ILE B2332 7.154 7.145 -26.685 1.00 0.00 C ATOM 856 C ILE B2332 5.763 7.811 -26.620 1.00 0.00 C ATOM 857 O ILE B2332 4.853 7.223 -26.026 1.00 0.00 O ATOM 858 CB ILE B2332 7.831 7.147 -25.294 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.154 8.557 -24.755 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.096 6.269 -25.308 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.132 8.624 -23.224 1.00 0.00 C ATOM 0 H ILE B2332 8.680 8.389 -27.442 1.00 0.00 H new ATOM 0 HA ILE B2332 6.966 6.113 -26.980 1.00 0.00 H new ATOM 0 HB ILE B2332 7.100 6.725 -24.605 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.137 8.862 -25.114 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.433 9.269 -25.156 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.559 6.282 -24.321 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.826 5.246 -25.568 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.800 6.657 -26.044 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.366 9.638 -22.901 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.142 8.347 -22.862 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.872 7.934 -22.819 1.00 0.00 H new