USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 531 TYR OH : rot 165:sc= 0 USER MOD Single : A 532 THR OG1 : rot -67:sc= 0.0651 USER MOD Single : A 542 HIS : no HD1:sc= 0.0648 X(o=0.065,f=-0.39) USER MOD Single : A 543 ASN : amide:sc= 1.17 K(o=1.2,f=-0.00012) USER MOD Single : A 544 THR OG1 : rot -41:sc= 0.234 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.0415 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 24.086 17.161 -14.388 1.00 0.00 N ATOM 117 CA LEU A 523 23.443 17.198 -15.712 1.00 0.00 C ATOM 118 C LEU A 523 23.047 18.635 -16.154 1.00 0.00 C ATOM 119 O LEU A 523 22.841 19.502 -15.295 1.00 0.00 O ATOM 120 CB LEU A 523 22.270 16.187 -15.735 1.00 0.00 C ATOM 121 CG LEU A 523 20.917 16.664 -15.152 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.802 16.498 -16.186 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.522 15.866 -13.909 1.00 0.00 C ATOM 0 HA LEU A 523 24.166 16.888 -16.466 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.105 15.884 -16.769 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.580 15.297 -15.187 1.00 0.00 H new ATOM 0 HG LEU A 523 21.044 17.713 -14.884 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.858 16.838 -15.761 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.035 17.090 -17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.717 15.448 -16.464 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.567 16.231 -13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.430 14.811 -14.168 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.287 15.986 -13.141 1.00 0.00 H new ATOM 135 N PRO A 524 22.922 18.913 -17.469 1.00 0.00 N ATOM 136 CA PRO A 524 22.512 20.223 -17.994 1.00 0.00 C ATOM 137 C PRO A 524 21.032 20.575 -17.701 1.00 0.00 C ATOM 138 O PRO A 524 20.207 19.680 -17.493 1.00 0.00 O ATOM 139 CB PRO A 524 22.805 20.167 -19.500 1.00 0.00 C ATOM 140 CG PRO A 524 22.753 18.679 -19.830 1.00 0.00 C ATOM 141 CD PRO A 524 23.277 18.019 -18.561 1.00 0.00 C ATOM 0 HA PRO A 524 23.065 21.021 -17.499 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.066 20.729 -20.072 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.780 20.594 -19.733 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.739 18.354 -20.063 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.372 18.437 -20.694 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.831 17.035 -18.420 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.356 17.875 -18.613 1.00 0.00 H new ATOM 149 N PRO A 525 20.664 21.874 -17.697 1.00 0.00 N ATOM 150 CA PRO A 525 19.352 22.354 -17.246 1.00 0.00 C ATOM 151 C PRO A 525 18.214 22.009 -18.224 1.00 0.00 C ATOM 152 O PRO A 525 18.152 22.540 -19.334 1.00 0.00 O ATOM 153 CB PRO A 525 19.518 23.871 -17.076 1.00 0.00 C ATOM 154 CG PRO A 525 20.621 24.230 -18.071 1.00 0.00 C ATOM 155 CD PRO A 525 21.527 23.003 -18.025 1.00 0.00 C ATOM 0 HA PRO A 525 19.058 21.866 -16.317 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.592 24.402 -17.296 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.799 24.131 -16.056 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.224 24.403 -19.071 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.151 25.136 -17.778 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.023 22.849 -18.983 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.310 23.125 -17.277 1.00 0.00 H new ATOM 163 N GLY A 526 17.281 21.147 -17.806 1.00 0.00 N ATOM 164 CA GLY A 526 16.091 20.781 -18.594 1.00 0.00 C ATOM 165 C GLY A 526 16.388 20.016 -19.896 1.00 0.00 C ATOM 166 O GLY A 526 15.604 20.090 -20.845 1.00 0.00 O ATOM 0 H GLY A 526 17.328 20.677 -16.902 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.435 20.171 -17.973 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.542 21.690 -18.841 1.00 0.00 H new ATOM 170 N TRP A 527 17.508 19.289 -19.939 1.00 0.00 N ATOM 171 CA TRP A 527 17.989 18.497 -21.080 1.00 0.00 C ATOM 172 C TRP A 527 18.166 17.016 -20.693 1.00 0.00 C ATOM 173 O TRP A 527 18.356 16.672 -19.524 1.00 0.00 O ATOM 174 CB TRP A 527 19.336 19.073 -21.564 1.00 0.00 C ATOM 175 CG TRP A 527 19.294 20.216 -22.536 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.419 21.524 -22.222 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.199 20.172 -23.995 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.375 22.291 -23.372 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.245 21.507 -24.497 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.106 19.136 -24.950 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.181 21.799 -25.870 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.029 19.415 -26.328 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.067 20.744 -26.790 1.00 0.00 C ATOM 0 H TRP A 527 18.138 19.233 -19.139 1.00 0.00 H new ATOM 0 HA TRP A 527 17.249 18.552 -21.879 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.897 19.398 -20.688 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.903 18.263 -22.023 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.536 21.913 -21.221 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.432 23.309 -23.385 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.094 18.109 -24.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.219 22.822 -26.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.940 18.604 -27.035 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.009 20.952 -27.848 1.00 0.00 H new ATOM 194 N GLU A 528 18.171 16.143 -21.697 1.00 0.00 N ATOM 195 CA GLU A 528 18.511 14.717 -21.611 1.00 0.00 C ATOM 196 C GLU A 528 19.596 14.395 -22.655 1.00 0.00 C ATOM 197 O GLU A 528 19.710 15.069 -23.682 1.00 0.00 O ATOM 198 CB GLU A 528 17.219 13.881 -21.764 1.00 0.00 C ATOM 199 CG GLU A 528 17.353 12.385 -22.111 1.00 0.00 C ATOM 200 CD GLU A 528 17.955 11.518 -20.979 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.933 11.949 -20.325 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.459 10.386 -20.769 1.00 0.00 O ATOM 0 H GLU A 528 17.925 16.422 -22.647 1.00 0.00 H new ATOM 0 HA GLU A 528 18.932 14.460 -20.639 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.661 13.957 -20.831 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.610 14.349 -22.538 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.368 11.994 -22.367 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.976 12.285 -23.000 1.00 0.00 H new ATOM 209 N ILE A 529 20.427 13.389 -22.375 1.00 0.00 N ATOM 210 CA ILE A 529 21.651 13.071 -23.126 1.00 0.00 C ATOM 211 C ILE A 529 21.797 11.553 -23.194 1.00 0.00 C ATOM 212 O ILE A 529 21.806 10.884 -22.156 1.00 0.00 O ATOM 213 CB ILE A 529 22.927 13.682 -22.483 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.759 15.118 -21.937 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.053 13.666 -23.531 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.260 15.143 -20.485 1.00 0.00 C ATOM 0 H ILE A 529 20.265 12.751 -21.596 1.00 0.00 H new ATOM 0 HA ILE A 529 21.555 13.506 -24.121 1.00 0.00 H new ATOM 0 HB ILE A 529 23.159 13.066 -21.614 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.714 15.640 -21.998 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.057 15.663 -22.568 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.959 14.091 -23.099 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.247 12.639 -23.841 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.753 14.256 -24.397 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.160 16.176 -20.152 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.291 14.647 -20.425 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.974 14.624 -19.846 1.00 0.00 H new ATOM 228 N ARG A 530 21.906 11.002 -24.408 1.00 0.00 N ATOM 229 CA ARG A 530 21.917 9.548 -24.652 1.00 0.00 C ATOM 230 C ARG A 530 23.044 9.136 -25.597 1.00 0.00 C ATOM 231 O ARG A 530 23.557 9.953 -26.360 1.00 0.00 O ATOM 232 CB ARG A 530 20.531 9.071 -25.141 1.00 0.00 C ATOM 233 CG ARG A 530 19.424 9.433 -24.131 1.00 0.00 C ATOM 234 CD ARG A 530 18.237 8.455 -24.096 1.00 0.00 C ATOM 235 NE ARG A 530 17.951 8.051 -22.703 1.00 0.00 N ATOM 236 CZ ARG A 530 18.603 7.144 -21.994 1.00 0.00 C ATOM 237 NH1 ARG A 530 19.515 6.365 -22.513 1.00 0.00 N ATOM 238 NH2 ARG A 530 18.358 7.014 -20.724 1.00 0.00 N ATOM 0 H ARG A 530 21.990 11.556 -25.261 1.00 0.00 H new ATOM 0 HA ARG A 530 22.122 9.047 -23.706 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.308 9.525 -26.106 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.549 7.992 -25.293 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.863 9.485 -23.135 1.00 0.00 H new ATOM 0 HG3 ARG A 530 19.049 10.429 -24.366 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.356 8.924 -24.535 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.463 7.575 -24.699 1.00 0.00 H new ATOM 0 HE ARG A 530 17.171 8.519 -22.241 1.00 0.00 H new ATOM 0 HH11 ARG A 530 19.749 6.443 -23.503 1.00 0.00 H new ATOM 0 HH12 ARG A 530 19.993 5.679 -21.928 1.00 0.00 H new ATOM 0 HH21 ARG A 530 17.664 7.611 -20.275 1.00 0.00 H new ATOM 0 HH22 ARG A 530 18.860 6.315 -20.177 1.00 0.00 H new ATOM 252 N TYR A 531 23.415 7.860 -25.527 1.00 0.00 N ATOM 253 CA TYR A 531 24.621 7.284 -26.128 1.00 0.00 C ATOM 254 C TYR A 531 24.228 6.010 -26.888 1.00 0.00 C ATOM 255 O TYR A 531 23.931 4.977 -26.279 1.00 0.00 O ATOM 256 CB TYR A 531 25.653 6.976 -25.026 1.00 0.00 C ATOM 257 CG TYR A 531 26.095 8.154 -24.174 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.323 8.554 -23.063 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.309 8.813 -24.453 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.753 9.615 -22.243 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.757 9.856 -23.619 1.00 0.00 C ATOM 262 CZ TYR A 531 26.978 10.261 -22.512 1.00 0.00 C ATOM 263 OH TYR A 531 27.405 11.262 -21.695 1.00 0.00 O ATOM 0 H TYR A 531 22.860 7.165 -25.028 1.00 0.00 H new ATOM 0 HA TYR A 531 25.074 7.989 -26.825 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.235 6.215 -24.368 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.536 6.542 -25.495 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.397 8.044 -22.840 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.898 8.517 -25.309 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.146 9.934 -21.409 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.697 10.347 -23.826 1.00 0.00 H new ATOM 0 HH TYR A 531 28.354 11.438 -21.862 1.00 0.00 H new ATOM 273 N THR A 532 24.132 6.097 -28.215 1.00 0.00 N ATOM 274 CA THR A 532 23.605 5.009 -29.056 1.00 0.00 C ATOM 275 C THR A 532 24.601 3.852 -29.201 1.00 0.00 C ATOM 276 O THR A 532 25.810 4.012 -29.004 1.00 0.00 O ATOM 277 CB THR A 532 23.203 5.524 -30.446 1.00 0.00 C ATOM 278 OG1 THR A 532 24.351 5.905 -31.172 1.00 0.00 O ATOM 279 CG2 THR A 532 22.237 6.710 -30.366 1.00 0.00 C ATOM 0 H THR A 532 24.416 6.922 -28.743 1.00 0.00 H new ATOM 0 HA THR A 532 22.719 4.629 -28.547 1.00 0.00 H new ATOM 0 HB THR A 532 22.691 4.708 -30.956 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.755 6.694 -30.755 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.981 7.040 -31.373 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.331 6.406 -29.842 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.711 7.529 -29.826 1.00 0.00 H new ATOM 287 N ALA A 533 24.111 2.674 -29.605 1.00 0.00 N ATOM 288 CA ALA A 533 24.942 1.489 -29.855 1.00 0.00 C ATOM 289 C ALA A 533 25.969 1.663 -31.003 1.00 0.00 C ATOM 290 O ALA A 533 26.923 0.888 -31.098 1.00 0.00 O ATOM 291 CB ALA A 533 24.010 0.297 -30.108 1.00 0.00 C ATOM 0 H ALA A 533 23.117 2.514 -29.769 1.00 0.00 H new ATOM 0 HA ALA A 533 25.556 1.318 -28.971 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.605 -0.597 -30.297 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.380 0.136 -29.233 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.382 0.504 -30.974 1.00 0.00 H new ATOM 297 N ALA A 534 25.809 2.689 -31.852 1.00 0.00 N ATOM 298 CA ALA A 534 26.793 3.088 -32.867 1.00 0.00 C ATOM 299 C ALA A 534 28.014 3.843 -32.285 1.00 0.00 C ATOM 300 O ALA A 534 28.981 4.095 -33.008 1.00 0.00 O ATOM 301 CB ALA A 534 26.075 3.942 -33.920 1.00 0.00 C ATOM 0 H ALA A 534 24.975 3.276 -31.851 1.00 0.00 H new ATOM 0 HA ALA A 534 27.203 2.182 -33.313 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.787 4.251 -34.685 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.278 3.358 -34.380 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.649 4.825 -33.444 1.00 0.00 H new ATOM 307 N GLY A 535 27.981 4.215 -30.999 1.00 0.00 N ATOM 308 CA GLY A 535 29.028 4.999 -30.336 1.00 0.00 C ATOM 309 C GLY A 535 28.856 6.514 -30.504 1.00 0.00 C ATOM 310 O GLY A 535 29.848 7.246 -30.492 1.00 0.00 O ATOM 0 H GLY A 535 27.209 3.974 -30.378 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.034 4.758 -29.273 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.999 4.705 -30.735 1.00 0.00 H new ATOM 314 N GLU A 536 27.620 6.995 -30.680 1.00 0.00 N ATOM 315 CA GLU A 536 27.305 8.406 -30.945 1.00 0.00 C ATOM 316 C GLU A 536 26.439 8.995 -29.819 1.00 0.00 C ATOM 317 O GLU A 536 25.336 8.514 -29.537 1.00 0.00 O ATOM 318 CB GLU A 536 26.620 8.558 -32.316 1.00 0.00 C ATOM 319 CG GLU A 536 27.522 8.133 -33.484 1.00 0.00 C ATOM 320 CD GLU A 536 26.940 8.581 -34.840 1.00 0.00 C ATOM 321 OE1 GLU A 536 25.994 7.936 -35.354 1.00 0.00 O ATOM 322 OE2 GLU A 536 27.450 9.572 -35.416 1.00 0.00 O ATOM 0 H GLU A 536 26.791 6.402 -30.642 1.00 0.00 H new ATOM 0 HA GLU A 536 28.238 8.968 -30.971 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.709 7.959 -32.330 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.321 9.597 -32.454 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.515 8.563 -33.353 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.641 7.049 -33.478 1.00 0.00 H new ATOM 329 N ARG A 537 26.946 10.046 -29.158 1.00 0.00 N ATOM 330 CA ARG A 537 26.171 10.862 -28.212 1.00 0.00 C ATOM 331 C ARG A 537 25.217 11.800 -28.963 1.00 0.00 C ATOM 332 O ARG A 537 25.603 12.431 -29.947 1.00 0.00 O ATOM 333 CB ARG A 537 27.121 11.617 -27.259 1.00 0.00 C ATOM 334 CG ARG A 537 26.425 12.724 -26.439 1.00 0.00 C ATOM 335 CD ARG A 537 27.122 13.100 -25.124 1.00 0.00 C ATOM 336 NE ARG A 537 28.583 13.279 -25.243 1.00 0.00 N ATOM 337 CZ ARG A 537 29.410 13.550 -24.247 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.986 13.777 -23.035 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.696 13.591 -24.446 1.00 0.00 N ATOM 0 H ARG A 537 27.912 10.356 -29.266 1.00 0.00 H new ATOM 0 HA ARG A 537 25.549 10.211 -27.597 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.578 10.903 -26.574 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.928 12.061 -27.841 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.346 13.618 -27.058 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.408 12.402 -26.214 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.684 14.023 -24.745 1.00 0.00 H new ATOM 0 HD3 ARG A 537 26.921 12.325 -24.385 1.00 0.00 H new ATOM 0 HE ARG A 537 28.990 13.186 -26.174 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.987 13.749 -22.830 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.653 13.983 -22.291 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.074 13.413 -25.377 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.325 13.801 -23.671 1.00 0.00 H new ATOM 353 N PHE A 538 24.003 11.940 -28.439 1.00 0.00 N ATOM 354 CA PHE A 538 22.994 12.913 -28.864 1.00 0.00 C ATOM 355 C PHE A 538 22.329 13.564 -27.644 1.00 0.00 C ATOM 356 O PHE A 538 22.341 13.018 -26.537 1.00 0.00 O ATOM 357 CB PHE A 538 21.927 12.229 -29.731 1.00 0.00 C ATOM 358 CG PHE A 538 22.411 11.726 -31.077 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.362 12.564 -32.208 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.871 10.403 -31.210 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.755 12.077 -33.467 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.268 9.917 -32.467 1.00 0.00 C ATOM 363 CZ PHE A 538 23.210 10.753 -33.595 1.00 0.00 C ATOM 0 H PHE A 538 23.678 11.353 -27.671 1.00 0.00 H new ATOM 0 HA PHE A 538 23.490 13.686 -29.451 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.514 11.388 -29.174 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.111 12.933 -29.896 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.021 13.584 -32.108 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.919 9.760 -30.344 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.707 12.719 -34.334 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.618 8.900 -32.566 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.515 10.378 -34.561 1.00 0.00 H new ATOM 373 N PHE A 539 21.700 14.712 -27.874 1.00 0.00 N ATOM 374 CA PHE A 539 21.015 15.521 -26.870 1.00 0.00 C ATOM 375 C PHE A 539 19.533 15.666 -27.236 1.00 0.00 C ATOM 376 O PHE A 539 19.158 15.693 -28.413 1.00 0.00 O ATOM 377 CB PHE A 539 21.698 16.892 -26.765 1.00 0.00 C ATOM 378 CG PHE A 539 23.149 16.865 -26.315 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.180 16.618 -27.243 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.472 17.117 -24.968 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.523 16.607 -26.824 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.815 17.112 -24.549 1.00 0.00 C ATOM 383 CZ PHE A 539 25.841 16.853 -25.476 1.00 0.00 C ATOM 0 H PHE A 539 21.651 15.123 -28.806 1.00 0.00 H new ATOM 0 HA PHE A 539 21.074 15.030 -25.899 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.646 17.380 -27.738 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.131 17.509 -26.068 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.938 16.436 -28.280 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.686 17.315 -24.254 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.310 16.410 -27.537 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.058 17.307 -23.515 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.872 16.843 -25.153 1.00 0.00 H new ATOM 393 N VAL A 540 18.693 15.766 -26.208 1.00 0.00 N ATOM 394 CA VAL A 540 17.230 15.687 -26.266 1.00 0.00 C ATOM 395 C VAL A 540 16.632 16.808 -25.418 1.00 0.00 C ATOM 396 O VAL A 540 16.891 16.905 -24.217 1.00 0.00 O ATOM 397 CB VAL A 540 16.756 14.322 -25.725 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.227 14.203 -25.713 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.313 13.122 -26.506 1.00 0.00 C ATOM 0 H VAL A 540 19.032 15.913 -25.257 1.00 0.00 H new ATOM 0 HA VAL A 540 16.903 15.793 -27.300 1.00 0.00 H new ATOM 0 HB VAL A 540 17.147 14.291 -24.708 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.941 13.226 -25.324 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.806 14.983 -25.078 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.845 14.316 -26.728 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.937 12.197 -26.069 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.996 13.186 -27.547 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.402 13.130 -26.457 1.00 0.00 H new ATOM 409 N ASP A 541 15.798 17.636 -26.039 1.00 0.00 N ATOM 410 CA ASP A 541 15.065 18.720 -25.391 1.00 0.00 C ATOM 411 C ASP A 541 13.603 18.307 -25.147 1.00 0.00 C ATOM 412 O ASP A 541 12.852 18.033 -26.085 1.00 0.00 O ATOM 413 CB ASP A 541 15.150 19.973 -26.271 1.00 0.00 C ATOM 414 CG ASP A 541 14.242 21.069 -25.713 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.621 21.719 -24.714 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.112 21.220 -26.227 1.00 0.00 O ATOM 0 H ASP A 541 15.607 17.570 -27.039 1.00 0.00 H new ATOM 0 HA ASP A 541 15.509 18.939 -24.420 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.179 20.329 -26.312 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.855 19.731 -27.292 1.00 0.00 H new ATOM 421 N HIS A 542 13.187 18.268 -23.878 1.00 0.00 N ATOM 422 CA HIS A 542 11.802 17.948 -23.492 1.00 0.00 C ATOM 423 C HIS A 542 10.835 19.139 -23.631 1.00 0.00 C ATOM 424 O HIS A 542 9.617 18.955 -23.626 1.00 0.00 O ATOM 425 CB HIS A 542 11.786 17.424 -22.047 1.00 0.00 C ATOM 426 CG HIS A 542 12.625 16.190 -21.793 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.235 15.876 -20.573 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.877 15.179 -22.678 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.838 14.689 -20.752 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.646 14.252 -22.010 1.00 0.00 N ATOM 0 H HIS A 542 13.799 18.457 -23.085 1.00 0.00 H new ATOM 0 HA HIS A 542 11.447 17.184 -24.183 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.131 18.219 -21.387 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.755 17.205 -21.770 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.539 15.119 -23.702 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.397 14.161 -19.994 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.008 13.383 -22.402 1.00 0.00 H new ATOM 437 N ASN A 543 11.353 20.367 -23.750 1.00 0.00 N ATOM 438 CA ASN A 543 10.554 21.599 -23.778 1.00 0.00 C ATOM 439 C ASN A 543 9.760 21.778 -25.092 1.00 0.00 C ATOM 440 O ASN A 543 8.658 22.332 -25.075 1.00 0.00 O ATOM 441 CB ASN A 543 11.480 22.799 -23.507 1.00 0.00 C ATOM 442 CG ASN A 543 12.231 22.660 -22.190 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.681 22.835 -21.111 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.497 22.315 -22.232 1.00 0.00 N ATOM 0 H ASN A 543 12.356 20.536 -23.831 1.00 0.00 H new ATOM 0 HA ASN A 543 9.799 21.532 -22.995 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.196 22.895 -24.323 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.890 23.715 -23.492 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.021 22.193 -21.366 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.956 22.169 -23.131 1.00 0.00 H new ATOM 451 N THR A 544 10.290 21.288 -26.220 1.00 0.00 N ATOM 452 CA THR A 544 9.655 21.334 -27.556 1.00 0.00 C ATOM 453 C THR A 544 9.967 20.081 -28.414 1.00 0.00 C ATOM 454 O THR A 544 9.878 20.095 -29.643 1.00 0.00 O ATOM 455 CB THR A 544 9.986 22.685 -28.235 1.00 0.00 C ATOM 456 OG1 THR A 544 9.219 22.916 -29.401 1.00 0.00 O ATOM 457 CG2 THR A 544 11.464 22.881 -28.577 1.00 0.00 C ATOM 0 H THR A 544 11.202 20.832 -26.235 1.00 0.00 H new ATOM 0 HA THR A 544 8.572 21.291 -27.441 1.00 0.00 H new ATOM 0 HB THR A 544 9.722 23.415 -27.470 1.00 0.00 H new ATOM 0 HG1 THR A 544 9.148 22.085 -29.916 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.602 23.854 -29.049 1.00 0.00 H new ATOM 0 HG22 THR A 544 12.058 22.833 -27.664 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.786 22.096 -29.262 1.00 0.00 H new ATOM 465 N ARG A 545 10.320 18.958 -27.761 1.00 0.00 N ATOM 466 CA ARG A 545 10.603 17.621 -28.349 1.00 0.00 C ATOM 467 C ARG A 545 11.797 17.551 -29.329 1.00 0.00 C ATOM 468 O ARG A 545 11.988 16.521 -29.981 1.00 0.00 O ATOM 469 CB ARG A 545 9.303 17.011 -28.941 1.00 0.00 C ATOM 470 CG ARG A 545 8.985 15.605 -28.392 1.00 0.00 C ATOM 471 CD ARG A 545 7.822 14.890 -29.110 1.00 0.00 C ATOM 472 NE ARG A 545 6.609 15.728 -29.207 1.00 0.00 N ATOM 473 CZ ARG A 545 5.466 15.410 -29.791 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.136 14.196 -30.127 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.594 16.342 -30.055 1.00 0.00 N ATOM 0 H ARG A 545 10.424 18.952 -26.746 1.00 0.00 H new ATOM 0 HA ARG A 545 10.945 17.004 -27.518 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.467 17.676 -28.725 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.396 16.958 -30.026 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.879 14.987 -28.470 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.746 15.687 -27.332 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.141 14.603 -30.112 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.581 13.971 -28.576 1.00 0.00 H new ATOM 0 HE ARG A 545 6.659 16.652 -28.777 1.00 0.00 H new ATOM 0 HH11 ARG A 545 5.776 13.424 -29.942 1.00 0.00 H new ATOM 0 HH12 ARG A 545 4.237 14.017 -30.575 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.795 17.312 -29.811 1.00 0.00 H new ATOM 0 HH22 ARG A 545 3.711 16.101 -30.505 1.00 0.00 H new ATOM 489 N ARG A 546 12.590 18.624 -29.459 1.00 0.00 N ATOM 490 CA ARG A 546 13.750 18.727 -30.374 1.00 0.00 C ATOM 491 C ARG A 546 14.933 17.845 -29.950 1.00 0.00 C ATOM 492 O ARG A 546 15.036 17.411 -28.803 1.00 0.00 O ATOM 493 CB ARG A 546 14.183 20.203 -30.509 1.00 0.00 C ATOM 494 CG ARG A 546 13.235 20.994 -31.427 1.00 0.00 C ATOM 495 CD ARG A 546 13.650 22.467 -31.560 1.00 0.00 C ATOM 496 NE ARG A 546 14.871 22.634 -32.377 1.00 0.00 N ATOM 497 CZ ARG A 546 15.444 23.776 -32.715 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.987 24.929 -32.314 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.500 23.783 -33.478 1.00 0.00 N ATOM 0 H ARG A 546 12.442 19.474 -28.916 1.00 0.00 H new ATOM 0 HA ARG A 546 13.428 18.351 -31.345 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.205 20.667 -29.523 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.197 20.250 -30.906 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.219 20.532 -32.414 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.220 20.938 -31.033 1.00 0.00 H new ATOM 0 HD2 ARG A 546 12.834 23.033 -32.010 1.00 0.00 H new ATOM 0 HD3 ARG A 546 13.819 22.886 -30.568 1.00 0.00 H new ATOM 0 HE ARG A 546 15.317 21.781 -32.714 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.160 24.971 -31.718 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.456 25.790 -32.596 1.00 0.00 H new ATOM 0 HH21 ARG A 546 16.889 22.904 -33.818 1.00 0.00 H new ATOM 0 HH22 ARG A 546 16.937 24.668 -33.735 1.00 0.00 H new ATOM 513 N THR A 547 15.860 17.622 -30.882 1.00 0.00 N ATOM 514 CA THR A 547 17.100 16.844 -30.687 1.00 0.00 C ATOM 515 C THR A 547 18.268 17.415 -31.501 1.00 0.00 C ATOM 516 O THR A 547 18.064 18.168 -32.458 1.00 0.00 O ATOM 517 CB THR A 547 16.911 15.369 -31.089 1.00 0.00 C ATOM 518 OG1 THR A 547 16.388 15.261 -32.398 1.00 0.00 O ATOM 519 CG2 THR A 547 15.987 14.599 -30.148 1.00 0.00 C ATOM 0 H THR A 547 15.772 17.988 -31.830 1.00 0.00 H new ATOM 0 HA THR A 547 17.331 16.911 -29.624 1.00 0.00 H new ATOM 0 HB THR A 547 17.907 14.929 -31.032 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.130 14.332 -32.571 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.898 13.568 -30.489 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.401 14.613 -29.140 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.002 15.066 -30.143 1.00 0.00 H new ATOM 527 N THR A 548 19.504 17.064 -31.126 1.00 0.00 N ATOM 528 CA THR A 548 20.738 17.487 -31.819 1.00 0.00 C ATOM 529 C THR A 548 21.932 16.574 -31.490 1.00 0.00 C ATOM 530 O THR A 548 21.939 15.875 -30.475 1.00 0.00 O ATOM 531 CB THR A 548 21.054 18.969 -31.517 1.00 0.00 C ATOM 532 OG1 THR A 548 22.271 19.357 -32.119 1.00 0.00 O ATOM 533 CG2 THR A 548 21.143 19.292 -30.027 1.00 0.00 C ATOM 0 H THR A 548 19.683 16.467 -30.318 1.00 0.00 H new ATOM 0 HA THR A 548 20.561 17.390 -32.890 1.00 0.00 H new ATOM 0 HB THR A 548 20.213 19.525 -31.933 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.451 20.299 -31.916 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.368 20.351 -29.897 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.192 19.061 -29.547 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.933 18.695 -29.572 1.00 0.00 H new ATOM 541 N PHE A 549 22.942 16.562 -32.365 1.00 0.00 N ATOM 542 CA PHE A 549 24.208 15.830 -32.209 1.00 0.00 C ATOM 543 C PHE A 549 25.285 16.628 -31.435 1.00 0.00 C ATOM 544 O PHE A 549 26.298 16.066 -31.016 1.00 0.00 O ATOM 545 CB PHE A 549 24.696 15.460 -33.621 1.00 0.00 C ATOM 546 CG PHE A 549 25.996 14.677 -33.693 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.090 13.397 -33.113 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.119 15.229 -34.342 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.297 12.677 -33.177 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.324 14.507 -34.409 1.00 0.00 C ATOM 551 CZ PHE A 549 28.414 13.231 -33.827 1.00 0.00 C ATOM 0 H PHE A 549 22.900 17.084 -33.240 1.00 0.00 H new ATOM 0 HA PHE A 549 24.033 14.939 -31.606 1.00 0.00 H new ATOM 0 HB2 PHE A 549 23.917 14.877 -34.112 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.816 16.379 -34.195 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.232 12.967 -32.617 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.054 16.210 -34.789 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.366 11.698 -32.726 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.181 14.934 -34.908 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.340 12.677 -33.879 1.00 0.00 H new ATOM 561 N GLU A 550 25.073 17.928 -31.212 1.00 0.00 N ATOM 562 CA GLU A 550 26.033 18.848 -30.575 1.00 0.00 C ATOM 563 C GLU A 550 25.386 19.669 -29.439 1.00 0.00 C ATOM 564 O GLU A 550 24.278 19.363 -29.000 1.00 0.00 O ATOM 565 CB GLU A 550 26.720 19.706 -31.661 1.00 0.00 C ATOM 566 CG GLU A 550 25.802 20.715 -32.366 1.00 0.00 C ATOM 567 CD GLU A 550 26.548 21.434 -33.508 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.321 22.384 -33.231 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.365 21.061 -34.693 1.00 0.00 O ATOM 0 H GLU A 550 24.202 18.389 -31.476 1.00 0.00 H new ATOM 0 HA GLU A 550 26.813 18.271 -30.078 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.548 20.248 -31.205 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.149 19.041 -32.411 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.928 20.200 -32.765 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.439 21.448 -31.645 1.00 0.00 H new ATOM 756 N PRO B2325 19.056 7.855 -35.504 1.00 0.00 N ATOM 757 CA PRO B2325 18.211 9.023 -35.249 1.00 0.00 C ATOM 758 C PRO B2325 17.771 9.078 -33.768 1.00 0.00 C ATOM 759 O PRO B2325 17.149 8.123 -33.287 1.00 0.00 O ATOM 760 CB PRO B2325 17.019 8.876 -36.203 1.00 0.00 C ATOM 761 CG PRO B2325 16.902 7.367 -36.420 1.00 0.00 C ATOM 762 CD PRO B2325 18.347 6.875 -36.318 1.00 0.00 C ATOM 0 HA PRO B2325 18.740 9.960 -35.426 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.108 9.289 -35.770 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.192 9.402 -37.142 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.266 6.902 -35.667 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.467 7.134 -37.392 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.390 5.886 -35.861 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.799 6.790 -37.306 1.00 0.00 H new ATOM 770 N PRO B2326 18.062 10.162 -33.019 1.00 0.00 N ATOM 771 CA PRO B2326 17.614 10.307 -31.633 1.00 0.00 C ATOM 772 C PRO B2326 16.102 10.591 -31.561 1.00 0.00 C ATOM 773 O PRO B2326 15.611 11.555 -32.154 1.00 0.00 O ATOM 774 CB PRO B2326 18.449 11.458 -31.060 1.00 0.00 C ATOM 775 CG PRO B2326 18.729 12.329 -32.282 1.00 0.00 C ATOM 776 CD PRO B2326 18.868 11.311 -33.412 1.00 0.00 C ATOM 0 HA PRO B2326 17.757 9.393 -31.057 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.905 12.006 -30.291 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.371 11.098 -30.603 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.917 13.031 -32.470 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.637 12.918 -32.157 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.519 11.727 -34.357 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.910 11.026 -33.554 1.00 0.00 H new ATOM 784 N SER B2327 15.376 9.770 -30.797 1.00 0.00 N ATOM 785 CA SER B2327 13.925 9.883 -30.572 1.00 0.00 C ATOM 786 C SER B2327 13.566 9.356 -29.178 1.00 0.00 C ATOM 787 O SER B2327 13.410 8.149 -28.986 1.00 0.00 O ATOM 788 CB SER B2327 13.126 9.105 -31.635 1.00 0.00 C ATOM 789 OG SER B2327 13.307 9.637 -32.938 1.00 0.00 O ATOM 0 H SER B2327 15.792 8.982 -30.300 1.00 0.00 H new ATOM 0 HA SER B2327 13.660 10.938 -30.648 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.434 8.059 -31.625 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.067 9.128 -31.379 1.00 0.00 H new ATOM 0 HG SER B2327 12.784 9.113 -33.581 1.00 0.00 H new ATOM 795 N TYR B2328 13.461 10.252 -28.189 1.00 0.00 N ATOM 796 CA TYR B2328 13.042 9.910 -26.823 1.00 0.00 C ATOM 797 C TYR B2328 11.517 10.060 -26.690 1.00 0.00 C ATOM 798 O TYR B2328 10.785 9.102 -26.947 1.00 0.00 O ATOM 799 CB TYR B2328 13.842 10.766 -25.830 1.00 0.00 C ATOM 800 CG TYR B2328 13.598 10.456 -24.364 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.142 9.288 -23.793 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.845 11.339 -23.564 1.00 0.00 C ATOM 803 CE1 TYR B2328 13.932 9.000 -22.430 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.626 11.051 -22.203 1.00 0.00 C ATOM 805 CZ TYR B2328 13.171 9.882 -21.630 1.00 0.00 C ATOM 806 OH TYR B2328 12.957 9.615 -20.312 1.00 0.00 O ATOM 0 H TYR B2328 13.666 11.243 -28.315 1.00 0.00 H new ATOM 0 HA TYR B2328 13.260 8.867 -26.592 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.904 10.639 -26.039 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.605 11.815 -26.007 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.722 8.611 -24.403 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.435 12.240 -23.996 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.353 8.105 -21.996 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.040 11.726 -21.597 1.00 0.00 H new ATOM 0 HH TYR B2328 12.414 10.329 -19.917 1.00 0.00 H new ATOM 816 N GLU B2329 11.009 11.269 -26.408 1.00 0.00 N ATOM 817 CA GLU B2329 9.564 11.545 -26.418 1.00 0.00 C ATOM 818 C GLU B2329 8.951 11.295 -27.800 1.00 0.00 C ATOM 819 O GLU B2329 7.906 10.666 -27.888 1.00 0.00 O ATOM 820 CB GLU B2329 9.249 12.968 -25.938 1.00 0.00 C ATOM 821 CG GLU B2329 9.216 13.058 -24.409 1.00 0.00 C ATOM 822 CD GLU B2329 8.702 14.437 -23.961 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.504 15.399 -23.945 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.497 14.561 -23.631 1.00 0.00 O ATOM 0 H GLU B2329 11.583 12.077 -26.168 1.00 0.00 H new ATOM 0 HA GLU B2329 9.109 10.848 -25.714 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.999 13.657 -26.327 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.287 13.283 -26.342 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.573 12.275 -24.007 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.215 12.888 -24.007 1.00 0.00 H new ATOM 831 N ASP B2330 9.630 11.685 -28.883 1.00 0.00 N ATOM 832 CA ASP B2330 9.153 11.460 -30.259 1.00 0.00 C ATOM 833 C ASP B2330 8.968 9.967 -30.628 1.00 0.00 C ATOM 834 O ASP B2330 8.284 9.654 -31.605 1.00 0.00 O ATOM 835 CB ASP B2330 10.097 12.177 -31.234 1.00 0.00 C ATOM 836 CG ASP B2330 9.483 12.307 -32.643 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.479 13.045 -32.796 1.00 0.00 O ATOM 838 OD2 ASP B2330 10.021 11.709 -33.606 1.00 0.00 O ATOM 0 H ASP B2330 10.528 12.167 -28.835 1.00 0.00 H new ATOM 0 HA ASP B2330 8.150 11.881 -30.333 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.332 13.169 -30.848 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.037 11.629 -31.297 1.00 0.00 H new ATOM 843 N CYS B2331 9.532 9.040 -29.839 1.00 0.00 N ATOM 844 CA CYS B2331 9.262 7.602 -29.942 1.00 0.00 C ATOM 845 C CYS B2331 8.111 7.157 -29.016 1.00 0.00 C ATOM 846 O CYS B2331 7.182 6.488 -29.480 1.00 0.00 O ATOM 847 CB CYS B2331 10.560 6.840 -29.634 1.00 0.00 C ATOM 848 SG CYS B2331 10.335 5.057 -29.897 1.00 0.00 S ATOM 0 H CYS B2331 10.197 9.274 -29.102 1.00 0.00 H new ATOM 0 HA CYS B2331 8.933 7.374 -30.956 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.364 7.208 -30.272 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.861 7.026 -28.603 1.00 0.00 H new ATOM 0 HG CYS B2331 11.446 4.436 -29.632 1.00 0.00 H new ATOM 854 N ILE B2332 8.133 7.526 -27.724 1.00 0.00 N ATOM 855 CA ILE B2332 7.122 7.065 -26.749 1.00 0.00 C ATOM 856 C ILE B2332 5.745 7.757 -26.880 1.00 0.00 C ATOM 857 O ILE B2332 4.741 7.188 -26.436 1.00 0.00 O ATOM 858 CB ILE B2332 7.636 7.118 -25.290 1.00 0.00 C ATOM 859 CG1 ILE B2332 7.953 8.542 -24.795 1.00 0.00 C ATOM 860 CG2 ILE B2332 8.862 6.201 -25.125 1.00 0.00 C ATOM 861 CD1 ILE B2332 7.991 8.678 -23.269 1.00 0.00 C ATOM 0 H ILE B2332 8.841 8.144 -27.327 1.00 0.00 H new ATOM 0 HA ILE B2332 6.956 6.020 -27.010 1.00 0.00 H new ATOM 0 HB ILE B2332 6.820 6.759 -24.663 1.00 0.00 H new ATOM 0 HG12 ILE B2332 8.916 8.851 -25.201 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.205 9.228 -25.192 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.215 6.247 -24.095 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.585 5.175 -25.368 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.656 6.531 -25.795 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.220 9.709 -23.001 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.021 8.403 -22.855 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.759 8.019 -22.864 1.00 0.00 H new