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 -62:sc= 0.0454 USER MOD Single : A 542 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=-0.12) USER MOD Single : A 543 ASN : amide:sc= 1.17 K(o=1.2,f=-0.03) USER MOD Single : A 544 THR OG1 : rot -39:sc= 1.28 USER MOD Single : A 547 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot -103:sc= 0.854 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 24.142 17.265 -14.361 1.00 0.00 N ATOM 117 CA LEU A 523 23.484 17.256 -15.675 1.00 0.00 C ATOM 118 C LEU A 523 23.028 18.670 -16.137 1.00 0.00 C ATOM 119 O LEU A 523 22.738 19.525 -15.290 1.00 0.00 O ATOM 120 CB LEU A 523 22.360 16.191 -15.677 1.00 0.00 C ATOM 121 CG LEU A 523 20.976 16.629 -15.138 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.920 16.532 -16.241 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.513 15.748 -13.976 1.00 0.00 C ATOM 0 HA LEU A 523 24.211 16.967 -16.434 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.229 15.839 -16.700 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.699 15.339 -15.087 1.00 0.00 H new ATOM 0 HG LEU A 523 21.086 17.657 -14.793 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.953 16.843 -15.847 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.200 17.181 -17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.854 15.502 -16.592 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.538 16.089 -13.627 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.437 14.714 -14.311 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.233 15.813 -13.161 1.00 0.00 H new ATOM 135 N PRO A 524 22.946 18.938 -17.456 1.00 0.00 N ATOM 136 CA PRO A 524 22.535 20.240 -17.995 1.00 0.00 C ATOM 137 C PRO A 524 21.051 20.585 -17.716 1.00 0.00 C ATOM 138 O PRO A 524 20.223 19.686 -17.538 1.00 0.00 O ATOM 139 CB PRO A 524 22.855 20.182 -19.496 1.00 0.00 C ATOM 140 CG PRO A 524 22.869 18.691 -19.821 1.00 0.00 C ATOM 141 CD PRO A 524 23.360 18.048 -18.530 1.00 0.00 C ATOM 0 HA PRO A 524 23.075 21.047 -17.501 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.104 20.710 -20.084 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.816 20.646 -19.716 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.878 18.331 -20.096 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.532 18.469 -20.657 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.930 17.055 -18.401 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.443 17.928 -18.541 1.00 0.00 H new ATOM 149 N PRO A 525 20.685 21.883 -17.683 1.00 0.00 N ATOM 150 CA PRO A 525 19.382 22.355 -17.198 1.00 0.00 C ATOM 151 C PRO A 525 18.221 22.004 -18.145 1.00 0.00 C ATOM 152 O PRO A 525 18.135 22.521 -19.260 1.00 0.00 O ATOM 153 CB PRO A 525 19.543 23.872 -17.025 1.00 0.00 C ATOM 154 CG PRO A 525 20.633 24.240 -18.030 1.00 0.00 C ATOM 155 CD PRO A 525 21.544 23.017 -18.000 1.00 0.00 C ATOM 0 HA PRO A 525 19.115 21.863 -16.263 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.612 24.399 -17.234 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.834 24.130 -16.007 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.224 24.416 -19.025 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.163 25.147 -17.739 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.038 22.875 -18.961 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.328 23.133 -17.252 1.00 0.00 H new ATOM 163 N GLY A 526 17.297 21.148 -17.693 1.00 0.00 N ATOM 164 CA GLY A 526 16.098 20.761 -18.454 1.00 0.00 C ATOM 165 C GLY A 526 16.383 19.974 -19.744 1.00 0.00 C ATOM 166 O GLY A 526 15.617 20.070 -20.706 1.00 0.00 O ATOM 0 H GLY A 526 17.359 20.699 -16.779 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.455 20.159 -17.812 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.540 21.662 -18.710 1.00 0.00 H new ATOM 170 N TRP A 527 17.480 19.210 -19.764 1.00 0.00 N ATOM 171 CA TRP A 527 17.980 18.436 -20.908 1.00 0.00 C ATOM 172 C TRP A 527 18.093 16.939 -20.576 1.00 0.00 C ATOM 173 O TRP A 527 18.166 16.535 -19.414 1.00 0.00 O ATOM 174 CB TRP A 527 19.363 18.979 -21.310 1.00 0.00 C ATOM 175 CG TRP A 527 19.391 20.122 -22.277 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.595 21.419 -21.962 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.275 20.081 -23.737 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.583 22.188 -23.111 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.392 21.414 -24.233 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.106 19.057 -24.689 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.325 21.711 -25.604 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.023 19.346 -26.069 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.134 20.671 -26.525 1.00 0.00 C ATOM 0 H TRP A 527 18.074 19.109 -18.941 1.00 0.00 H new ATOM 0 HA TRP A 527 17.272 18.541 -21.730 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.881 19.290 -20.403 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.937 18.158 -21.739 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.745 21.799 -20.962 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.701 23.201 -23.125 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.039 18.031 -24.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.420 22.731 -25.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.873 18.545 -26.778 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.072 20.887 -27.581 1.00 0.00 H new ATOM 194 N GLU A 528 18.186 16.119 -21.622 1.00 0.00 N ATOM 195 CA GLU A 528 18.524 14.691 -21.569 1.00 0.00 C ATOM 196 C GLU A 528 19.621 14.385 -22.606 1.00 0.00 C ATOM 197 O GLU A 528 19.726 15.058 -23.633 1.00 0.00 O ATOM 198 CB GLU A 528 17.235 13.874 -21.777 1.00 0.00 C ATOM 199 CG GLU A 528 17.397 12.355 -21.920 1.00 0.00 C ATOM 200 CD GLU A 528 17.911 11.699 -20.622 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.103 11.886 -20.284 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.126 11.000 -19.937 1.00 0.00 O ATOM 0 H GLU A 528 18.021 16.444 -22.575 1.00 0.00 H new ATOM 0 HA GLU A 528 18.932 14.411 -20.598 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.570 14.067 -20.935 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.735 14.248 -22.670 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.439 11.913 -22.193 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.091 12.140 -22.733 1.00 0.00 H new ATOM 209 N ILE A 529 20.464 13.388 -22.325 1.00 0.00 N ATOM 210 CA ILE A 529 21.685 13.067 -23.078 1.00 0.00 C ATOM 211 C ILE A 529 21.810 11.544 -23.152 1.00 0.00 C ATOM 212 O ILE A 529 21.830 10.863 -22.121 1.00 0.00 O ATOM 213 CB ILE A 529 22.962 13.673 -22.437 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.800 15.104 -21.880 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.079 13.672 -23.494 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.315 15.115 -20.422 1.00 0.00 C ATOM 0 H ILE A 529 20.312 12.757 -21.538 1.00 0.00 H new ATOM 0 HA ILE A 529 21.601 13.505 -24.072 1.00 0.00 H new ATOM 0 HB ILE A 529 23.197 13.049 -21.575 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.754 15.627 -21.946 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.092 15.654 -22.500 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.987 14.094 -23.064 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.273 12.649 -23.818 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.770 14.271 -24.350 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.218 16.145 -20.079 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.347 14.618 -20.357 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.036 14.590 -19.795 1.00 0.00 H new ATOM 228 N ARG A 530 21.876 11.001 -24.370 1.00 0.00 N ATOM 229 CA ARG A 530 21.838 9.554 -24.642 1.00 0.00 C ATOM 230 C ARG A 530 22.987 9.140 -25.564 1.00 0.00 C ATOM 231 O ARG A 530 23.543 9.964 -26.290 1.00 0.00 O ATOM 232 CB ARG A 530 20.462 9.160 -25.226 1.00 0.00 C ATOM 233 CG ARG A 530 19.256 9.483 -24.312 1.00 0.00 C ATOM 234 CD ARG A 530 18.439 8.250 -23.894 1.00 0.00 C ATOM 235 NE ARG A 530 19.177 7.385 -22.948 1.00 0.00 N ATOM 236 CZ ARG A 530 18.726 6.283 -22.374 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.530 5.817 -22.604 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.476 5.616 -21.544 1.00 0.00 N ATOM 0 H ARG A 530 21.959 11.564 -25.216 1.00 0.00 H new ATOM 0 HA ARG A 530 21.972 9.015 -23.704 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.326 9.672 -26.178 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.465 8.091 -25.437 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.618 9.987 -23.416 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.599 10.183 -24.829 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.505 8.574 -23.435 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.175 7.674 -24.781 1.00 0.00 H new ATOM 0 HE ARG A 530 20.129 7.667 -22.715 1.00 0.00 H new ATOM 0 HH11 ARG A 530 16.907 6.306 -23.246 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.218 4.963 -22.142 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.419 5.943 -21.333 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.121 4.767 -21.105 1.00 0.00 H new ATOM 252 N TYR A 531 23.324 7.852 -25.529 1.00 0.00 N ATOM 253 CA TYR A 531 24.501 7.256 -26.169 1.00 0.00 C ATOM 254 C TYR A 531 24.057 6.007 -26.943 1.00 0.00 C ATOM 255 O TYR A 531 23.720 4.982 -26.342 1.00 0.00 O ATOM 256 CB TYR A 531 25.557 6.903 -25.101 1.00 0.00 C ATOM 257 CG TYR A 531 26.097 8.056 -24.268 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.361 8.541 -23.167 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.372 8.590 -24.543 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.886 9.565 -22.356 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.914 9.595 -23.716 1.00 0.00 C ATOM 262 CZ TYR A 531 27.170 10.087 -22.620 1.00 0.00 C ATOM 263 OH TYR A 531 27.679 11.060 -21.816 1.00 0.00 O ATOM 0 H TYR A 531 22.760 7.162 -25.032 1.00 0.00 H new ATOM 0 HA TYR A 531 24.954 7.963 -26.864 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.123 6.167 -24.424 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.398 6.420 -25.600 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.390 8.125 -22.945 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.936 8.228 -25.390 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.306 9.951 -21.531 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.899 9.989 -23.920 1.00 0.00 H new ATOM 0 HH TYR A 531 28.572 11.311 -22.131 1.00 0.00 H new ATOM 273 N THR A 532 23.971 6.104 -28.271 1.00 0.00 N ATOM 274 CA THR A 532 23.459 5.020 -29.127 1.00 0.00 C ATOM 275 C THR A 532 24.445 3.850 -29.222 1.00 0.00 C ATOM 276 O THR A 532 25.654 4.008 -29.025 1.00 0.00 O ATOM 277 CB THR A 532 23.110 5.526 -30.538 1.00 0.00 C ATOM 278 OG1 THR A 532 24.271 5.964 -31.207 1.00 0.00 O ATOM 279 CG2 THR A 532 22.090 6.669 -30.507 1.00 0.00 C ATOM 0 H THR A 532 24.254 6.936 -28.789 1.00 0.00 H new ATOM 0 HA THR A 532 22.546 4.660 -28.652 1.00 0.00 H new ATOM 0 HB THR A 532 22.666 4.686 -31.072 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.666 6.716 -30.719 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.875 6.993 -31.525 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.171 6.323 -30.034 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.498 7.505 -29.939 1.00 0.00 H new ATOM 287 N ALA A 533 23.951 2.658 -29.574 1.00 0.00 N ATOM 288 CA ALA A 533 24.790 1.468 -29.764 1.00 0.00 C ATOM 289 C ALA A 533 25.822 1.593 -30.912 1.00 0.00 C ATOM 290 O ALA A 533 26.798 0.842 -30.951 1.00 0.00 O ATOM 291 CB ALA A 533 23.878 0.259 -29.952 1.00 0.00 C ATOM 0 H ALA A 533 22.958 2.490 -29.735 1.00 0.00 H new ATOM 0 HA ALA A 533 25.402 1.348 -28.870 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.484 -0.635 -30.095 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.251 0.135 -29.069 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.246 0.412 -30.827 1.00 0.00 H new ATOM 297 N ALA A 534 25.644 2.567 -31.817 1.00 0.00 N ATOM 298 CA ALA A 534 26.640 2.963 -32.816 1.00 0.00 C ATOM 299 C ALA A 534 27.889 3.655 -32.221 1.00 0.00 C ATOM 300 O ALA A 534 28.893 3.819 -32.919 1.00 0.00 O ATOM 301 CB ALA A 534 25.948 3.878 -33.831 1.00 0.00 C ATOM 0 H ALA A 534 24.783 3.112 -31.873 1.00 0.00 H new ATOM 0 HA ALA A 534 27.019 2.057 -33.288 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.667 4.190 -34.589 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.129 3.339 -34.307 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.555 4.757 -33.320 1.00 0.00 H new ATOM 307 N GLY A 535 27.836 4.067 -30.948 1.00 0.00 N ATOM 308 CA GLY A 535 28.920 4.749 -30.235 1.00 0.00 C ATOM 309 C GLY A 535 28.800 6.278 -30.239 1.00 0.00 C ATOM 310 O GLY A 535 29.804 6.960 -30.030 1.00 0.00 O ATOM 0 H GLY A 535 27.009 3.929 -30.368 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.940 4.398 -29.203 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.872 4.468 -30.686 1.00 0.00 H new ATOM 314 N GLU A 536 27.606 6.827 -30.496 1.00 0.00 N ATOM 315 CA GLU A 536 27.395 8.257 -30.763 1.00 0.00 C ATOM 316 C GLU A 536 26.496 8.904 -29.697 1.00 0.00 C ATOM 317 O GLU A 536 25.415 8.402 -29.374 1.00 0.00 O ATOM 318 CB GLU A 536 26.782 8.458 -32.164 1.00 0.00 C ATOM 319 CG GLU A 536 27.488 7.756 -33.341 1.00 0.00 C ATOM 320 CD GLU A 536 28.895 8.291 -33.699 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.534 9.024 -32.906 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.387 7.952 -34.804 1.00 0.00 O ATOM 0 H GLU A 536 26.745 6.282 -30.525 1.00 0.00 H new ATOM 0 HA GLU A 536 28.368 8.746 -30.724 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.748 8.114 -32.135 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.756 9.527 -32.373 1.00 0.00 H new ATOM 0 HG2 GLU A 536 27.572 6.694 -33.108 1.00 0.00 H new ATOM 0 HG3 GLU A 536 26.853 7.840 -34.223 1.00 0.00 H new ATOM 329 N ARG A 537 26.949 10.035 -29.142 1.00 0.00 N ATOM 330 CA ARG A 537 26.183 10.847 -28.184 1.00 0.00 C ATOM 331 C ARG A 537 25.232 11.809 -28.907 1.00 0.00 C ATOM 332 O ARG A 537 25.601 12.425 -29.905 1.00 0.00 O ATOM 333 CB ARG A 537 27.161 11.572 -27.239 1.00 0.00 C ATOM 334 CG ARG A 537 26.499 12.631 -26.336 1.00 0.00 C ATOM 335 CD ARG A 537 27.299 12.944 -25.063 1.00 0.00 C ATOM 336 NE ARG A 537 28.755 13.078 -25.292 1.00 0.00 N ATOM 337 CZ ARG A 537 29.457 14.188 -25.431 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.895 15.361 -25.469 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.754 14.136 -25.533 1.00 0.00 N ATOM 0 H ARG A 537 27.871 10.419 -29.348 1.00 0.00 H new ATOM 0 HA ARG A 537 25.548 10.200 -27.579 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.656 10.832 -26.610 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.936 12.053 -27.836 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.366 13.550 -26.906 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.505 12.285 -26.054 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.922 13.869 -24.626 1.00 0.00 H new ATOM 0 HD3 ARG A 537 27.126 12.153 -24.333 1.00 0.00 H new ATOM 0 HE ARG A 537 29.281 12.206 -25.350 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.881 15.444 -25.390 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.468 16.198 -25.577 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.232 13.235 -25.506 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.292 14.996 -25.640 1.00 0.00 H new ATOM 353 N PHE A 538 24.034 11.976 -28.351 1.00 0.00 N ATOM 354 CA PHE A 538 23.024 12.951 -28.772 1.00 0.00 C ATOM 355 C PHE A 538 22.355 13.593 -27.550 1.00 0.00 C ATOM 356 O PHE A 538 22.346 13.025 -26.454 1.00 0.00 O ATOM 357 CB PHE A 538 21.953 12.263 -29.635 1.00 0.00 C ATOM 358 CG PHE A 538 22.424 11.735 -30.977 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.370 12.558 -32.118 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.865 10.405 -31.096 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.741 12.049 -33.375 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.235 9.894 -32.353 1.00 0.00 C ATOM 363 CZ PHE A 538 23.169 10.715 -33.492 1.00 0.00 C ATOM 0 H PHE A 538 23.725 11.412 -27.560 1.00 0.00 H new ATOM 0 HA PHE A 538 23.519 13.727 -29.356 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.534 11.433 -29.066 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.143 12.972 -29.809 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.043 13.583 -32.027 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.920 9.775 -30.221 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.697 12.682 -34.249 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.570 8.871 -32.443 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.447 10.321 -34.458 1.00 0.00 H new ATOM 373 N PHE A 539 21.737 14.752 -27.761 1.00 0.00 N ATOM 374 CA PHE A 539 21.002 15.516 -26.757 1.00 0.00 C ATOM 375 C PHE A 539 19.526 15.646 -27.165 1.00 0.00 C ATOM 376 O PHE A 539 19.194 15.701 -28.354 1.00 0.00 O ATOM 377 CB PHE A 539 21.630 16.910 -26.611 1.00 0.00 C ATOM 378 CG PHE A 539 23.096 16.966 -26.222 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.101 16.870 -27.205 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.456 17.198 -24.881 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.455 17.006 -26.849 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.809 17.338 -24.525 1.00 0.00 C ATOM 383 CZ PHE A 539 25.808 17.251 -25.510 1.00 0.00 C ATOM 0 H PHE A 539 21.735 15.204 -28.676 1.00 0.00 H new ATOM 0 HA PHE A 539 21.056 14.994 -25.802 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.510 17.437 -27.558 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.060 17.462 -25.864 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.831 16.691 -28.235 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.690 17.269 -24.123 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.223 16.922 -27.604 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.081 17.512 -23.494 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.846 17.372 -25.239 1.00 0.00 H new ATOM 393 N VAL A 540 18.643 15.733 -26.169 1.00 0.00 N ATOM 394 CA VAL A 540 17.180 15.752 -26.314 1.00 0.00 C ATOM 395 C VAL A 540 16.585 16.855 -25.434 1.00 0.00 C ATOM 396 O VAL A 540 16.795 16.884 -24.219 1.00 0.00 O ATOM 397 CB VAL A 540 16.567 14.398 -25.904 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.072 14.356 -26.240 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.241 13.173 -26.542 1.00 0.00 C ATOM 0 H VAL A 540 18.938 15.795 -25.194 1.00 0.00 H new ATOM 0 HA VAL A 540 16.947 15.943 -27.362 1.00 0.00 H new ATOM 0 HB VAL A 540 16.733 14.334 -24.829 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.659 13.392 -25.943 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.556 15.153 -25.704 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.936 14.493 -27.313 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.746 12.265 -26.198 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.164 13.239 -27.627 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.292 13.145 -26.254 1.00 0.00 H new ATOM 409 N ASP A 541 15.810 17.745 -26.049 1.00 0.00 N ATOM 410 CA ASP A 541 15.092 18.834 -25.391 1.00 0.00 C ATOM 411 C ASP A 541 13.620 18.449 -25.169 1.00 0.00 C ATOM 412 O ASP A 541 12.820 18.410 -26.105 1.00 0.00 O ATOM 413 CB ASP A 541 15.210 20.108 -26.240 1.00 0.00 C ATOM 414 CG ASP A 541 14.379 21.234 -25.621 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.756 21.727 -24.531 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.317 21.577 -26.177 1.00 0.00 O ATOM 0 H ASP A 541 15.659 17.727 -27.058 1.00 0.00 H new ATOM 0 HA ASP A 541 15.535 19.023 -24.413 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.254 20.412 -26.309 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.868 19.910 -27.256 1.00 0.00 H new ATOM 421 N HIS A 542 13.242 18.165 -23.920 1.00 0.00 N ATOM 422 CA HIS A 542 11.851 17.842 -23.562 1.00 0.00 C ATOM 423 C HIS A 542 10.890 19.039 -23.687 1.00 0.00 C ATOM 424 O HIS A 542 9.679 18.846 -23.797 1.00 0.00 O ATOM 425 CB HIS A 542 11.801 17.282 -22.134 1.00 0.00 C ATOM 426 CG HIS A 542 12.639 16.041 -21.888 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.167 15.672 -20.647 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.980 15.082 -22.805 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.808 14.507 -20.843 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.718 14.134 -22.130 1.00 0.00 N ATOM 0 H HIS A 542 13.885 18.151 -23.129 1.00 0.00 H new ATOM 0 HA HIS A 542 11.510 17.095 -24.279 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.127 18.061 -21.445 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.764 17.053 -21.888 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.721 15.071 -23.853 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.323 13.950 -20.074 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.126 13.293 -22.538 1.00 0.00 H new ATOM 437 N ASN A 543 11.411 20.272 -23.676 1.00 0.00 N ATOM 438 CA ASN A 543 10.622 21.512 -23.693 1.00 0.00 C ATOM 439 C ASN A 543 9.911 21.762 -25.043 1.00 0.00 C ATOM 440 O ASN A 543 8.821 22.337 -25.066 1.00 0.00 O ATOM 441 CB ASN A 543 11.539 22.693 -23.321 1.00 0.00 C ATOM 442 CG ASN A 543 12.273 22.469 -22.007 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.707 22.559 -20.925 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.543 22.138 -22.059 1.00 0.00 N ATOM 0 H ASN A 543 12.417 20.440 -23.655 1.00 0.00 H new ATOM 0 HA ASN A 543 9.824 21.412 -22.957 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.266 22.849 -24.118 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.943 23.603 -23.250 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.058 21.956 -21.198 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.014 22.063 -22.961 1.00 0.00 H new ATOM 451 N THR A 544 10.502 21.306 -26.154 1.00 0.00 N ATOM 452 CA THR A 544 10.002 21.488 -27.537 1.00 0.00 C ATOM 453 C THR A 544 10.055 20.206 -28.387 1.00 0.00 C ATOM 454 O THR A 544 9.763 20.235 -29.585 1.00 0.00 O ATOM 455 CB THR A 544 10.772 22.610 -28.263 1.00 0.00 C ATOM 456 OG1 THR A 544 12.127 22.264 -28.443 1.00 0.00 O ATOM 457 CG2 THR A 544 10.724 23.958 -27.541 1.00 0.00 C ATOM 0 H THR A 544 11.375 20.779 -26.122 1.00 0.00 H new ATOM 0 HA THR A 544 8.953 21.763 -27.429 1.00 0.00 H new ATOM 0 HB THR A 544 10.266 22.718 -29.222 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.454 21.798 -27.646 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.287 24.697 -28.111 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.688 24.284 -27.448 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.162 23.855 -26.548 1.00 0.00 H new ATOM 465 N ARG A 545 10.420 19.068 -27.772 1.00 0.00 N ATOM 466 CA ARG A 545 10.661 17.744 -28.391 1.00 0.00 C ATOM 467 C ARG A 545 11.840 17.681 -29.385 1.00 0.00 C ATOM 468 O ARG A 545 12.026 16.656 -30.044 1.00 0.00 O ATOM 469 CB ARG A 545 9.343 17.168 -28.970 1.00 0.00 C ATOM 470 CG ARG A 545 8.987 15.818 -28.327 1.00 0.00 C ATOM 471 CD ARG A 545 7.805 15.090 -28.988 1.00 0.00 C ATOM 472 NE ARG A 545 6.632 15.961 -29.196 1.00 0.00 N ATOM 473 CZ ARG A 545 5.744 16.366 -28.305 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.704 15.937 -27.078 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.833 17.229 -28.650 1.00 0.00 N ATOM 0 H ARG A 545 10.565 19.042 -26.763 1.00 0.00 H new ATOM 0 HA ARG A 545 10.997 17.095 -27.582 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.531 17.876 -28.804 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.442 17.044 -30.048 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.863 15.170 -28.363 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.755 15.981 -27.275 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.126 14.687 -29.949 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.515 14.242 -28.367 1.00 0.00 H new ATOM 0 HE ARG A 545 6.488 16.293 -30.150 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.384 15.248 -26.756 1.00 0.00 H new ATOM 0 HH12 ARG A 545 4.993 16.289 -26.438 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.807 17.589 -29.604 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.145 17.545 -27.966 1.00 0.00 H new ATOM 489 N ARG A 546 12.632 18.756 -29.506 1.00 0.00 N ATOM 490 CA ARG A 546 13.808 18.857 -30.394 1.00 0.00 C ATOM 491 C ARG A 546 14.981 17.966 -29.956 1.00 0.00 C ATOM 492 O ARG A 546 15.056 17.509 -28.814 1.00 0.00 O ATOM 493 CB ARG A 546 14.255 20.328 -30.486 1.00 0.00 C ATOM 494 CG ARG A 546 13.299 21.169 -31.350 1.00 0.00 C ATOM 495 CD ARG A 546 13.754 22.632 -31.434 1.00 0.00 C ATOM 496 NE ARG A 546 15.044 22.771 -32.145 1.00 0.00 N ATOM 497 CZ ARG A 546 15.871 23.799 -32.095 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.606 24.871 -31.403 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.996 23.768 -32.751 1.00 0.00 N ATOM 0 H ARG A 546 12.469 19.610 -28.972 1.00 0.00 H new ATOM 0 HA ARG A 546 13.503 18.493 -31.375 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.308 20.754 -29.484 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.260 20.376 -30.906 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.246 20.746 -32.353 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.294 21.123 -30.931 1.00 0.00 H new ATOM 0 HD2 ARG A 546 12.992 23.220 -31.946 1.00 0.00 H new ATOM 0 HD3 ARG A 546 13.849 23.041 -30.428 1.00 0.00 H new ATOM 0 HE ARG A 546 15.324 21.989 -32.737 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.735 24.936 -30.876 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.270 25.646 -31.388 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.240 22.948 -33.306 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.632 24.564 -32.710 1.00 0.00 H new ATOM 513 N THR A 547 15.932 17.773 -30.868 1.00 0.00 N ATOM 514 CA THR A 547 17.146 16.953 -30.694 1.00 0.00 C ATOM 515 C THR A 547 18.340 17.534 -31.457 1.00 0.00 C ATOM 516 O THR A 547 18.167 18.266 -32.435 1.00 0.00 O ATOM 517 CB THR A 547 16.916 15.512 -31.187 1.00 0.00 C ATOM 518 OG1 THR A 547 16.255 15.466 -32.441 1.00 0.00 O ATOM 519 CG2 THR A 547 16.084 14.700 -30.200 1.00 0.00 C ATOM 0 H THR A 547 15.882 18.200 -31.793 1.00 0.00 H new ATOM 0 HA THR A 547 17.366 16.953 -29.626 1.00 0.00 H new ATOM 0 HB THR A 547 17.913 15.083 -31.283 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.133 14.532 -32.713 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.945 13.690 -30.586 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.600 14.654 -29.241 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.112 15.174 -30.067 1.00 0.00 H new ATOM 527 N THR A 548 19.560 17.194 -31.030 1.00 0.00 N ATOM 528 CA THR A 548 20.817 17.638 -31.665 1.00 0.00 C ATOM 529 C THR A 548 21.979 16.695 -31.326 1.00 0.00 C ATOM 530 O THR A 548 22.026 16.115 -30.240 1.00 0.00 O ATOM 531 CB THR A 548 21.134 19.105 -31.287 1.00 0.00 C ATOM 532 OG1 THR A 548 22.436 19.465 -31.685 1.00 0.00 O ATOM 533 CG2 THR A 548 21.010 19.440 -29.799 1.00 0.00 C ATOM 0 H THR A 548 19.711 16.593 -30.220 1.00 0.00 H new ATOM 0 HA THR A 548 20.683 17.599 -32.746 1.00 0.00 H new ATOM 0 HB THR A 548 20.370 19.671 -31.820 1.00 0.00 H new ATOM 0 HG1 THR A 548 23.028 19.469 -30.904 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.253 20.491 -29.641 1.00 0.00 H new ATOM 0 HG22 THR A 548 19.989 19.250 -29.467 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.699 18.818 -29.227 1.00 0.00 H new ATOM 541 N PHE A 549 22.916 16.512 -32.263 1.00 0.00 N ATOM 542 CA PHE A 549 24.163 15.761 -32.049 1.00 0.00 C ATOM 543 C PHE A 549 25.183 16.542 -31.197 1.00 0.00 C ATOM 544 O PHE A 549 25.872 15.969 -30.353 1.00 0.00 O ATOM 545 CB PHE A 549 24.771 15.432 -33.422 1.00 0.00 C ATOM 546 CG PHE A 549 26.156 14.817 -33.351 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.315 13.505 -32.869 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.293 15.575 -33.699 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.601 12.959 -32.722 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.579 15.018 -33.573 1.00 0.00 C ATOM 551 CZ PHE A 549 28.733 13.709 -33.083 1.00 0.00 C ATOM 0 H PHE A 549 22.830 16.887 -33.208 1.00 0.00 H new ATOM 0 HA PHE A 549 23.925 14.851 -31.498 1.00 0.00 H new ATOM 0 HB2 PHE A 549 24.106 14.746 -33.948 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.820 16.345 -34.015 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.447 12.916 -32.612 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.177 16.585 -34.063 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.720 11.960 -32.330 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.448 15.596 -33.853 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.720 13.281 -32.984 1.00 0.00 H new ATOM 561 N GLU A 550 25.257 17.858 -31.401 1.00 0.00 N ATOM 562 CA GLU A 550 26.172 18.781 -30.716 1.00 0.00 C ATOM 563 C GLU A 550 25.424 19.639 -29.674 1.00 0.00 C ATOM 564 O GLU A 550 24.229 19.445 -29.447 1.00 0.00 O ATOM 565 CB GLU A 550 26.930 19.611 -31.772 1.00 0.00 C ATOM 566 CG GLU A 550 26.046 20.553 -32.604 1.00 0.00 C ATOM 567 CD GLU A 550 26.845 21.161 -33.773 1.00 0.00 C ATOM 568 OE1 GLU A 550 26.940 20.516 -34.848 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.384 22.285 -33.628 1.00 0.00 O ATOM 0 H GLU A 550 24.657 18.333 -32.076 1.00 0.00 H new ATOM 0 HA GLU A 550 26.912 18.221 -30.144 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.695 20.203 -31.269 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.447 18.929 -32.447 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.186 20.006 -32.991 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.658 21.350 -31.970 1.00 0.00 H new ATOM 756 N PRO B2325 18.805 7.816 -35.552 1.00 0.00 N ATOM 757 CA PRO B2325 18.087 9.046 -35.221 1.00 0.00 C ATOM 758 C PRO B2325 17.739 9.096 -33.716 1.00 0.00 C ATOM 759 O PRO B2325 17.149 8.139 -33.199 1.00 0.00 O ATOM 760 CB PRO B2325 16.830 9.023 -36.097 1.00 0.00 C ATOM 761 CG PRO B2325 16.557 7.534 -36.313 1.00 0.00 C ATOM 762 CD PRO B2325 17.954 6.911 -36.314 1.00 0.00 C ATOM 0 HA PRO B2325 18.686 9.936 -35.411 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.991 9.515 -35.605 1.00 0.00 H new ATOM 0 HB3 PRO B2325 16.993 9.540 -37.043 1.00 0.00 H new ATOM 0 HG2 PRO B2325 15.934 7.121 -35.520 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.036 7.354 -37.254 1.00 0.00 H new ATOM 0 HD2 PRO B2325 17.938 5.919 -35.862 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.326 6.792 -37.332 1.00 0.00 H new ATOM 770 N PRO B2326 18.062 10.185 -32.988 1.00 0.00 N ATOM 771 CA PRO B2326 17.630 10.361 -31.603 1.00 0.00 C ATOM 772 C PRO B2326 16.117 10.637 -31.541 1.00 0.00 C ATOM 773 O PRO B2326 15.630 11.627 -32.092 1.00 0.00 O ATOM 774 CB PRO B2326 18.466 11.527 -31.063 1.00 0.00 C ATOM 775 CG PRO B2326 18.743 12.368 -32.307 1.00 0.00 C ATOM 776 CD PRO B2326 18.867 11.323 -33.416 1.00 0.00 C ATOM 0 HA PRO B2326 17.785 9.468 -30.998 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.923 12.094 -30.307 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.389 11.179 -30.599 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.934 13.071 -32.505 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.656 12.954 -32.202 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.509 11.719 -34.367 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.907 11.032 -33.563 1.00 0.00 H new ATOM 784 N SER B2327 15.379 9.768 -30.844 1.00 0.00 N ATOM 785 CA SER B2327 13.921 9.854 -30.665 1.00 0.00 C ATOM 786 C SER B2327 13.531 9.286 -29.296 1.00 0.00 C ATOM 787 O SER B2327 13.283 8.088 -29.157 1.00 0.00 O ATOM 788 CB SER B2327 13.163 9.110 -31.780 1.00 0.00 C ATOM 789 OG SER B2327 13.414 9.665 -33.061 1.00 0.00 O ATOM 0 H SER B2327 15.788 8.961 -30.374 1.00 0.00 H new ATOM 0 HA SER B2327 13.640 10.906 -30.720 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.455 8.060 -31.777 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.093 9.144 -31.575 1.00 0.00 H new ATOM 0 HG SER B2327 12.915 9.162 -33.739 1.00 0.00 H new ATOM 795 N TYR B2328 13.517 10.138 -28.267 1.00 0.00 N ATOM 796 CA TYR B2328 13.063 9.782 -26.916 1.00 0.00 C ATOM 797 C TYR B2328 11.549 10.033 -26.806 1.00 0.00 C ATOM 798 O TYR B2328 10.743 9.158 -27.124 1.00 0.00 O ATOM 799 CB TYR B2328 13.904 10.581 -25.905 1.00 0.00 C ATOM 800 CG TYR B2328 13.639 10.297 -24.434 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.225 9.167 -23.829 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.857 11.178 -23.657 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.031 8.917 -22.456 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.653 10.926 -22.286 1.00 0.00 C ATOM 805 CZ TYR B2328 13.243 9.794 -21.680 1.00 0.00 C ATOM 806 OH TYR B2328 13.061 9.547 -20.354 1.00 0.00 O ATOM 0 H TYR B2328 13.824 11.107 -28.348 1.00 0.00 H new ATOM 0 HA TYR B2328 13.210 8.724 -26.697 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.957 10.386 -26.107 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.736 11.643 -26.084 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.825 8.490 -24.420 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.413 12.049 -24.115 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.486 8.052 -21.996 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.046 11.598 -21.698 1.00 0.00 H new ATOM 0 HH TYR B2328 12.495 10.246 -19.966 1.00 0.00 H new ATOM 816 N GLU B2329 11.150 11.265 -26.472 1.00 0.00 N ATOM 817 CA GLU B2329 9.752 11.694 -26.318 1.00 0.00 C ATOM 818 C GLU B2329 8.950 11.552 -27.625 1.00 0.00 C ATOM 819 O GLU B2329 7.779 11.184 -27.607 1.00 0.00 O ATOM 820 CB GLU B2329 9.744 13.150 -25.809 1.00 0.00 C ATOM 821 CG GLU B2329 8.935 13.358 -24.525 1.00 0.00 C ATOM 822 CD GLU B2329 7.418 13.231 -24.752 1.00 0.00 C ATOM 823 OE1 GLU B2329 6.890 13.910 -25.666 1.00 0.00 O ATOM 824 OE2 GLU B2329 6.749 12.488 -23.993 1.00 0.00 O ATOM 0 H GLU B2329 11.814 12.019 -26.295 1.00 0.00 H new ATOM 0 HA GLU B2329 9.259 11.044 -25.595 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.772 13.468 -25.634 1.00 0.00 H new ATOM 0 HB3 GLU B2329 9.339 13.794 -26.589 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.249 12.627 -23.780 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.156 14.344 -24.117 1.00 0.00 H new ATOM 831 N ASP B2330 9.605 11.779 -28.770 1.00 0.00 N ATOM 832 CA ASP B2330 9.030 11.605 -30.112 1.00 0.00 C ATOM 833 C ASP B2330 8.756 10.133 -30.496 1.00 0.00 C ATOM 834 O ASP B2330 7.988 9.874 -31.423 1.00 0.00 O ATOM 835 CB ASP B2330 9.964 12.272 -31.132 1.00 0.00 C ATOM 836 CG ASP B2330 9.307 12.437 -32.516 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.308 13.188 -32.616 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.814 11.863 -33.512 1.00 0.00 O ATOM 0 H ASP B2330 10.574 12.097 -28.791 1.00 0.00 H new ATOM 0 HA ASP B2330 8.050 12.081 -30.112 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.265 13.250 -30.758 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.871 11.676 -31.233 1.00 0.00 H new ATOM 843 N CYS B2331 9.347 9.165 -29.780 1.00 0.00 N ATOM 844 CA CYS B2331 9.106 7.731 -29.979 1.00 0.00 C ATOM 845 C CYS B2331 8.080 7.174 -28.975 1.00 0.00 C ATOM 846 O CYS B2331 7.189 6.414 -29.361 1.00 0.00 O ATOM 847 CB CYS B2331 10.447 6.993 -29.863 1.00 0.00 C ATOM 848 SG CYS B2331 10.256 5.233 -30.271 1.00 0.00 S ATOM 0 H CYS B2331 10.016 9.361 -29.035 1.00 0.00 H new ATOM 0 HA CYS B2331 8.679 7.577 -30.970 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.176 7.449 -30.533 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.837 7.095 -28.850 1.00 0.00 H new ATOM 0 HG CYS B2331 11.406 4.636 -30.166 1.00 0.00 H new ATOM 854 N ILE B2332 8.152 7.581 -27.700 1.00 0.00 N ATOM 855 CA ILE B2332 7.270 7.090 -26.616 1.00 0.00 C ATOM 856 C ILE B2332 5.862 7.741 -26.585 1.00 0.00 C ATOM 857 O ILE B2332 5.230 7.818 -25.526 1.00 0.00 O ATOM 858 CB ILE B2332 7.977 7.127 -25.239 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.302 8.554 -24.749 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.249 6.259 -25.260 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.321 8.661 -23.223 1.00 0.00 C ATOM 0 H ILE B2332 8.833 8.271 -27.381 1.00 0.00 H new ATOM 0 HA ILE B2332 7.075 6.045 -26.855 1.00 0.00 H new ATOM 0 HB ILE B2332 7.267 6.714 -24.522 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.272 8.858 -25.143 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.564 9.249 -25.149 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.732 6.298 -24.284 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.982 5.228 -25.492 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.934 6.636 -26.019 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.555 9.685 -22.933 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.344 8.386 -22.827 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.078 7.988 -22.821 1.00 0.00 H new