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= 0.0653 USER MOD Single : A 532 THR OG1 : rot -63:sc= 0.457 USER MOD Single : A 542 HIS : no HD1:sc= 0.118 K(o=0.12,f=-0.6) USER MOD Single : A 543 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 544 THR OG1 : rot 180:sc= 0 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot -109:sc= 1.04 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 24.323 17.478 -14.488 1.00 0.00 N ATOM 117 CA LEU A 523 23.648 17.436 -15.795 1.00 0.00 C ATOM 118 C LEU A 523 23.215 18.846 -16.292 1.00 0.00 C ATOM 119 O LEU A 523 23.002 19.743 -15.468 1.00 0.00 O ATOM 120 CB LEU A 523 22.500 16.399 -15.740 1.00 0.00 C ATOM 121 CG LEU A 523 21.143 16.889 -15.178 1.00 0.00 C ATOM 122 CD1 LEU A 523 20.053 16.785 -16.248 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.695 16.054 -13.976 1.00 0.00 C ATOM 0 HA LEU A 523 24.354 17.103 -16.556 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.334 16.023 -16.749 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.833 15.555 -15.136 1.00 0.00 H new ATOM 0 HG LEU A 523 21.286 17.925 -14.870 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.105 17.133 -15.837 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.325 17.401 -17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.952 15.747 -16.564 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.739 16.428 -13.609 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.586 15.012 -14.277 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.441 16.127 -13.184 1.00 0.00 H new ATOM 135 N PRO A 524 23.070 19.068 -17.616 1.00 0.00 N ATOM 136 CA PRO A 524 22.681 20.367 -18.182 1.00 0.00 C ATOM 137 C PRO A 524 21.226 20.780 -17.848 1.00 0.00 C ATOM 138 O PRO A 524 20.369 19.919 -17.622 1.00 0.00 O ATOM 139 CB PRO A 524 22.921 20.243 -19.693 1.00 0.00 C ATOM 140 CG PRO A 524 22.834 18.743 -19.960 1.00 0.00 C ATOM 141 CD PRO A 524 23.385 18.126 -18.679 1.00 0.00 C ATOM 0 HA PRO A 524 23.275 21.168 -17.742 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.172 20.794 -20.262 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.895 20.643 -19.976 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.808 18.427 -20.150 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.423 18.455 -20.831 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.931 17.154 -18.487 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.461 17.966 -18.753 1.00 0.00 H new ATOM 149 N PRO A 525 20.914 22.093 -17.826 1.00 0.00 N ATOM 150 CA PRO A 525 19.648 22.626 -17.308 1.00 0.00 C ATOM 151 C PRO A 525 18.448 22.317 -18.220 1.00 0.00 C ATOM 152 O PRO A 525 18.335 22.856 -19.322 1.00 0.00 O ATOM 153 CB PRO A 525 19.881 24.137 -17.155 1.00 0.00 C ATOM 154 CG PRO A 525 20.945 24.449 -18.207 1.00 0.00 C ATOM 155 CD PRO A 525 21.804 23.186 -18.201 1.00 0.00 C ATOM 0 HA PRO A 525 19.386 22.156 -16.360 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.966 24.703 -17.331 1.00 0.00 H new ATOM 0 HB3 PRO A 525 20.224 24.390 -16.152 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.504 24.634 -19.186 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.525 25.334 -17.946 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.245 23.010 -19.182 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.628 23.278 -17.493 1.00 0.00 H new ATOM 163 N GLY A 526 17.526 21.466 -17.755 1.00 0.00 N ATOM 164 CA GLY A 526 16.303 21.104 -18.491 1.00 0.00 C ATOM 165 C GLY A 526 16.544 20.320 -19.792 1.00 0.00 C ATOM 166 O GLY A 526 15.719 20.383 -20.709 1.00 0.00 O ATOM 0 H GLY A 526 17.606 21.004 -16.849 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.665 20.509 -17.838 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.755 22.016 -18.729 1.00 0.00 H new ATOM 170 N TRP A 527 17.660 19.588 -19.870 1.00 0.00 N ATOM 171 CA TRP A 527 18.104 18.783 -21.019 1.00 0.00 C ATOM 172 C TRP A 527 18.264 17.300 -20.635 1.00 0.00 C ATOM 173 O TRP A 527 18.373 16.944 -19.459 1.00 0.00 O ATOM 174 CB TRP A 527 19.443 19.340 -21.538 1.00 0.00 C ATOM 175 CG TRP A 527 19.378 20.458 -22.538 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.500 21.771 -22.259 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.244 20.372 -23.992 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.424 22.509 -23.429 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.269 21.693 -24.526 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.124 19.309 -24.919 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.165 21.951 -25.908 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.008 19.554 -26.298 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.028 20.874 -26.795 1.00 0.00 C ATOM 0 H TRP A 527 18.316 19.537 -19.091 1.00 0.00 H new ATOM 0 HA TRP A 527 17.347 18.844 -21.801 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.020 19.686 -20.681 1.00 0.00 H new ATOM 0 HB3 TRP A 527 20.000 18.517 -21.986 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.637 22.186 -21.271 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.476 23.527 -23.472 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.122 18.290 -24.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.191 22.965 -26.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.903 18.725 -26.982 1.00 0.00 H new ATOM 0 HH2 TRP A 527 18.938 21.054 -27.856 1.00 0.00 H new ATOM 194 N GLU A 528 18.322 16.433 -21.644 1.00 0.00 N ATOM 195 CA GLU A 528 18.512 14.982 -21.529 1.00 0.00 C ATOM 196 C GLU A 528 19.506 14.526 -22.620 1.00 0.00 C ATOM 197 O GLU A 528 19.622 15.170 -23.667 1.00 0.00 O ATOM 198 CB GLU A 528 17.117 14.326 -21.626 1.00 0.00 C ATOM 199 CG GLU A 528 16.983 12.928 -21.003 1.00 0.00 C ATOM 200 CD GLU A 528 17.663 11.808 -21.811 1.00 0.00 C ATOM 201 OE1 GLU A 528 17.414 11.709 -23.033 1.00 0.00 O ATOM 202 OE2 GLU A 528 18.428 11.022 -21.206 1.00 0.00 O ATOM 0 H GLU A 528 18.234 16.735 -22.614 1.00 0.00 H new ATOM 0 HA GLU A 528 18.949 14.680 -20.577 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.394 14.986 -21.147 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.841 14.261 -22.678 1.00 0.00 H new ATOM 0 HG2 GLU A 528 17.410 12.947 -20.000 1.00 0.00 H new ATOM 0 HG3 GLU A 528 15.925 12.691 -20.895 1.00 0.00 H new ATOM 209 N ILE A 529 20.296 13.476 -22.367 1.00 0.00 N ATOM 210 CA ILE A 529 21.438 13.084 -23.213 1.00 0.00 C ATOM 211 C ILE A 529 21.568 11.554 -23.237 1.00 0.00 C ATOM 212 O ILE A 529 21.606 10.914 -22.182 1.00 0.00 O ATOM 213 CB ILE A 529 22.785 13.717 -22.748 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.705 15.135 -22.130 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.733 13.779 -23.957 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.379 15.123 -20.628 1.00 0.00 C ATOM 0 H ILE A 529 20.162 12.865 -21.561 1.00 0.00 H new ATOM 0 HA ILE A 529 21.235 13.463 -24.214 1.00 0.00 H new ATOM 0 HB ILE A 529 23.136 13.071 -21.943 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.655 15.646 -22.285 1.00 0.00 H new ATOM 0 HG13 ILE A 529 21.944 15.711 -22.656 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.682 14.219 -23.653 1.00 0.00 H new ATOM 0 HG22 ILE A 529 23.905 12.772 -24.336 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.284 14.390 -24.740 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.337 16.147 -20.257 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.415 14.640 -20.469 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.153 14.574 -20.092 1.00 0.00 H new ATOM 228 N ARG A 530 21.675 10.973 -24.437 1.00 0.00 N ATOM 229 CA ARG A 530 21.688 9.515 -24.675 1.00 0.00 C ATOM 230 C ARG A 530 22.935 9.094 -25.456 1.00 0.00 C ATOM 231 O ARG A 530 23.469 9.863 -26.256 1.00 0.00 O ATOM 232 CB ARG A 530 20.417 9.107 -25.449 1.00 0.00 C ATOM 233 CG ARG A 530 19.102 9.245 -24.656 1.00 0.00 C ATOM 234 CD ARG A 530 18.561 7.922 -24.081 1.00 0.00 C ATOM 235 NE ARG A 530 19.245 7.511 -22.834 1.00 0.00 N ATOM 236 CZ ARG A 530 20.045 6.474 -22.646 1.00 0.00 C ATOM 237 NH1 ARG A 530 20.466 5.717 -23.627 1.00 0.00 N ATOM 238 NH2 ARG A 530 20.445 6.173 -21.442 1.00 0.00 N ATOM 0 H ARG A 530 21.758 11.514 -25.297 1.00 0.00 H new ATOM 0 HA ARG A 530 21.708 9.008 -23.710 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.347 9.716 -26.350 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.523 8.071 -25.772 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.259 9.946 -23.836 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.344 9.681 -25.307 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.494 8.026 -23.886 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.673 7.135 -24.827 1.00 0.00 H new ATOM 0 HE ARG A 530 19.079 8.101 -22.018 1.00 0.00 H new ATOM 0 HH11 ARG A 530 20.178 5.916 -24.585 1.00 0.00 H new ATOM 0 HH12 ARG A 530 21.082 4.928 -23.434 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.141 6.736 -20.648 1.00 0.00 H new ATOM 0 HH22 ARG A 530 21.062 5.374 -21.294 1.00 0.00 H new ATOM 252 N TYR A 531 23.344 7.843 -25.254 1.00 0.00 N ATOM 253 CA TYR A 531 24.506 7.202 -25.879 1.00 0.00 C ATOM 254 C TYR A 531 24.014 5.978 -26.663 1.00 0.00 C ATOM 255 O TYR A 531 23.589 4.974 -26.083 1.00 0.00 O ATOM 256 CB TYR A 531 25.538 6.809 -24.805 1.00 0.00 C ATOM 257 CG TYR A 531 26.182 7.956 -24.040 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.485 8.595 -22.992 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.506 8.343 -24.332 1.00 0.00 C ATOM 260 CE1 TYR A 531 26.098 9.627 -22.256 1.00 0.00 C ATOM 261 CE2 TYR A 531 28.133 9.353 -23.577 1.00 0.00 C ATOM 262 CZ TYR A 531 27.427 10.002 -22.541 1.00 0.00 C ATOM 263 OH TYR A 531 28.009 11.011 -21.835 1.00 0.00 O ATOM 0 H TYR A 531 22.851 7.215 -24.619 1.00 0.00 H new ATOM 0 HA TYR A 531 25.001 7.891 -26.564 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.051 6.149 -24.087 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.328 6.231 -25.284 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.477 8.291 -22.754 1.00 0.00 H new ATOM 0 HD2 TYR A 531 28.041 7.863 -25.138 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.550 10.131 -21.473 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.154 9.631 -23.791 1.00 0.00 H new ATOM 0 HH TYR A 531 28.926 11.146 -22.152 1.00 0.00 H new ATOM 273 N THR A 532 23.993 6.085 -27.990 1.00 0.00 N ATOM 274 CA THR A 532 23.489 5.031 -28.890 1.00 0.00 C ATOM 275 C THR A 532 24.463 3.847 -29.006 1.00 0.00 C ATOM 276 O THR A 532 25.678 3.984 -28.819 1.00 0.00 O ATOM 277 CB THR A 532 23.198 5.575 -30.297 1.00 0.00 C ATOM 278 OG1 THR A 532 24.372 6.101 -30.853 1.00 0.00 O ATOM 279 CG2 THR A 532 22.097 6.646 -30.301 1.00 0.00 C ATOM 0 H THR A 532 24.328 6.913 -28.483 1.00 0.00 H new ATOM 0 HA THR A 532 22.561 4.678 -28.440 1.00 0.00 H new ATOM 0 HB THR A 532 22.837 4.740 -30.897 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.678 6.859 -30.313 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.933 6.995 -31.320 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.173 6.220 -29.910 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.403 7.485 -29.675 1.00 0.00 H new ATOM 287 N ALA A 533 23.941 2.673 -29.377 1.00 0.00 N ATOM 288 CA ALA A 533 24.744 1.462 -29.592 1.00 0.00 C ATOM 289 C ALA A 533 25.768 1.581 -30.749 1.00 0.00 C ATOM 290 O ALA A 533 26.705 0.783 -30.830 1.00 0.00 O ATOM 291 CB ALA A 533 23.791 0.278 -29.792 1.00 0.00 C ATOM 0 H ALA A 533 22.943 2.534 -29.538 1.00 0.00 H new ATOM 0 HA ALA A 533 25.359 1.306 -28.706 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.370 -0.632 -29.953 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.168 0.159 -28.906 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.157 0.463 -30.659 1.00 0.00 H new ATOM 297 N ALA A 534 25.627 2.589 -31.623 1.00 0.00 N ATOM 298 CA ALA A 534 26.615 2.953 -32.643 1.00 0.00 C ATOM 299 C ALA A 534 27.924 3.547 -32.069 1.00 0.00 C ATOM 300 O ALA A 534 28.904 3.686 -32.804 1.00 0.00 O ATOM 301 CB ALA A 534 25.954 3.943 -33.613 1.00 0.00 C ATOM 0 H ALA A 534 24.801 3.187 -31.638 1.00 0.00 H new ATOM 0 HA ALA A 534 26.918 2.039 -33.153 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.670 4.230 -34.383 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.088 3.473 -34.079 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.634 4.830 -33.066 1.00 0.00 H new ATOM 307 N GLY A 535 27.953 3.908 -30.779 1.00 0.00 N ATOM 308 CA GLY A 535 29.104 4.545 -30.126 1.00 0.00 C ATOM 309 C GLY A 535 29.099 6.074 -30.248 1.00 0.00 C ATOM 310 O GLY A 535 30.163 6.686 -30.360 1.00 0.00 O ATOM 0 H GLY A 535 27.164 3.763 -30.149 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.112 4.271 -29.071 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.023 4.155 -30.563 1.00 0.00 H new ATOM 314 N GLU A 536 27.913 6.695 -30.270 1.00 0.00 N ATOM 315 CA GLU A 536 27.715 8.133 -30.515 1.00 0.00 C ATOM 316 C GLU A 536 26.698 8.746 -29.537 1.00 0.00 C ATOM 317 O GLU A 536 25.701 8.108 -29.175 1.00 0.00 O ATOM 318 CB GLU A 536 27.212 8.357 -31.954 1.00 0.00 C ATOM 319 CG GLU A 536 28.153 7.897 -33.080 1.00 0.00 C ATOM 320 CD GLU A 536 29.495 8.659 -33.167 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.662 9.731 -32.534 1.00 0.00 O ATOM 322 OE2 GLU A 536 30.386 8.201 -33.924 1.00 0.00 O ATOM 0 H GLU A 536 27.037 6.197 -30.113 1.00 0.00 H new ATOM 0 HA GLU A 536 28.678 8.622 -30.366 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.260 7.838 -32.069 1.00 0.00 H new ATOM 0 HB3 GLU A 536 27.013 9.421 -32.086 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.364 6.836 -32.945 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.632 8.000 -34.032 1.00 0.00 H new ATOM 329 N ARG A 537 26.936 10.003 -29.136 1.00 0.00 N ATOM 330 CA ARG A 537 26.114 10.741 -28.161 1.00 0.00 C ATOM 331 C ARG A 537 25.207 11.767 -28.847 1.00 0.00 C ATOM 332 O ARG A 537 25.617 12.426 -29.805 1.00 0.00 O ATOM 333 CB ARG A 537 27.031 11.401 -27.110 1.00 0.00 C ATOM 334 CG ARG A 537 26.228 11.959 -25.921 1.00 0.00 C ATOM 335 CD ARG A 537 27.107 12.420 -24.754 1.00 0.00 C ATOM 336 NE ARG A 537 27.591 13.809 -24.885 1.00 0.00 N ATOM 337 CZ ARG A 537 28.045 14.558 -23.893 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.100 14.121 -22.665 1.00 0.00 N ATOM 339 NH2 ARG A 537 28.464 15.770 -24.111 1.00 0.00 N ATOM 0 H ARG A 537 27.723 10.549 -29.487 1.00 0.00 H new ATOM 0 HA ARG A 537 25.453 10.037 -27.655 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.755 10.670 -26.749 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.597 12.207 -27.577 1.00 0.00 H new ATOM 0 HG2 ARG A 537 25.622 12.798 -26.263 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.539 11.193 -25.566 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.541 12.328 -23.827 1.00 0.00 H new ATOM 0 HD3 ARG A 537 27.965 11.752 -24.672 1.00 0.00 H new ATOM 0 HE ARG A 537 27.574 14.225 -25.816 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.787 13.175 -22.446 1.00 0.00 H new ATOM 0 HH12 ARG A 537 28.456 14.725 -21.924 1.00 0.00 H new ATOM 0 HH21 ARG A 537 28.445 16.154 -25.056 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.811 16.336 -23.337 1.00 0.00 H new ATOM 353 N PHE A 538 23.995 11.928 -28.317 1.00 0.00 N ATOM 354 CA PHE A 538 22.961 12.832 -28.832 1.00 0.00 C ATOM 355 C PHE A 538 22.223 13.529 -27.684 1.00 0.00 C ATOM 356 O PHE A 538 21.956 12.920 -26.644 1.00 0.00 O ATOM 357 CB PHE A 538 21.955 12.033 -29.673 1.00 0.00 C ATOM 358 CG PHE A 538 22.530 11.367 -30.909 1.00 0.00 C ATOM 359 CD1 PHE A 538 23.109 10.087 -30.820 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.479 12.022 -32.152 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.629 9.465 -31.968 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.996 11.397 -33.303 1.00 0.00 C ATOM 363 CZ PHE A 538 23.573 10.120 -33.210 1.00 0.00 C ATOM 0 H PHE A 538 23.693 11.416 -27.488 1.00 0.00 H new ATOM 0 HA PHE A 538 23.442 13.592 -29.448 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.507 11.266 -29.042 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.151 12.702 -29.981 1.00 0.00 H new ATOM 0 HD1 PHE A 538 23.154 9.581 -29.867 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.042 13.007 -32.224 1.00 0.00 H new ATOM 0 HE1 PHE A 538 24.072 8.483 -31.896 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.949 11.900 -34.258 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.973 9.642 -34.092 1.00 0.00 H new ATOM 373 N PHE A 539 21.857 14.792 -27.894 1.00 0.00 N ATOM 374 CA PHE A 539 21.097 15.599 -26.940 1.00 0.00 C ATOM 375 C PHE A 539 19.606 15.629 -27.306 1.00 0.00 C ATOM 376 O PHE A 539 19.227 15.572 -28.480 1.00 0.00 O ATOM 377 CB PHE A 539 21.660 17.023 -26.921 1.00 0.00 C ATOM 378 CG PHE A 539 23.077 17.164 -26.401 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.172 17.060 -27.281 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.299 17.453 -25.041 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.481 17.251 -26.805 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.608 17.647 -24.565 1.00 0.00 C ATOM 383 CZ PHE A 539 25.697 17.553 -25.449 1.00 0.00 C ATOM 0 H PHE A 539 22.086 15.295 -28.752 1.00 0.00 H new ATOM 0 HA PHE A 539 21.191 15.151 -25.951 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.624 17.422 -27.935 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.005 17.645 -26.310 1.00 0.00 H new ATOM 0 HD1 PHE A 539 24.006 16.833 -28.324 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.462 17.526 -24.362 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.320 17.166 -27.480 1.00 0.00 H new ATOM 0 HE2 PHE A 539 24.776 17.868 -23.521 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.701 17.713 -25.086 1.00 0.00 H new ATOM 393 N VAL A 540 18.765 15.760 -26.281 1.00 0.00 N ATOM 394 CA VAL A 540 17.302 15.648 -26.316 1.00 0.00 C ATOM 395 C VAL A 540 16.698 16.749 -25.439 1.00 0.00 C ATOM 396 O VAL A 540 17.044 16.889 -24.265 1.00 0.00 O ATOM 397 CB VAL A 540 16.878 14.259 -25.785 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.359 14.119 -25.629 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.361 13.102 -26.674 1.00 0.00 C ATOM 0 H VAL A 540 19.107 15.960 -25.341 1.00 0.00 H new ATOM 0 HA VAL A 540 16.944 15.760 -27.340 1.00 0.00 H new ATOM 0 HB VAL A 540 17.357 14.194 -24.808 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.122 13.124 -25.253 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.995 14.868 -24.926 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.879 14.265 -26.597 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.032 12.154 -26.248 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.945 13.214 -27.675 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.449 13.116 -26.730 1.00 0.00 H new ATOM 409 N ASP A 541 15.761 17.509 -25.999 1.00 0.00 N ATOM 410 CA ASP A 541 15.056 18.598 -25.323 1.00 0.00 C ATOM 411 C ASP A 541 13.573 18.237 -25.136 1.00 0.00 C ATOM 412 O ASP A 541 12.850 18.001 -26.105 1.00 0.00 O ATOM 413 CB ASP A 541 15.225 19.886 -26.139 1.00 0.00 C ATOM 414 CG ASP A 541 14.419 21.023 -25.510 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.939 21.726 -24.614 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.227 21.162 -25.856 1.00 0.00 O ATOM 0 H ASP A 541 15.461 17.381 -26.965 1.00 0.00 H new ATOM 0 HA ASP A 541 15.479 18.757 -24.331 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.279 20.160 -26.184 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.894 19.721 -27.164 1.00 0.00 H new ATOM 421 N HIS A 542 13.107 18.190 -23.884 1.00 0.00 N ATOM 422 CA HIS A 542 11.704 17.884 -23.550 1.00 0.00 C ATOM 423 C HIS A 542 10.762 19.099 -23.657 1.00 0.00 C ATOM 424 O HIS A 542 9.540 18.950 -23.592 1.00 0.00 O ATOM 425 CB HIS A 542 11.633 17.297 -22.131 1.00 0.00 C ATOM 426 CG HIS A 542 12.452 16.048 -21.893 1.00 0.00 C ATOM 427 ND1 HIS A 542 12.960 15.656 -20.650 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.795 15.101 -22.820 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.595 14.491 -20.856 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.521 14.141 -22.153 1.00 0.00 N ATOM 0 H HIS A 542 13.692 18.363 -23.067 1.00 0.00 H new ATOM 0 HA HIS A 542 11.358 17.161 -24.288 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.958 18.062 -21.425 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.591 17.074 -21.902 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.545 15.106 -23.871 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.094 13.917 -20.090 1.00 0.00 H new ATOM 0 HE2 HIS A 542 13.933 13.306 -22.571 1.00 0.00 H new ATOM 437 N ASN A 543 11.307 20.311 -23.803 1.00 0.00 N ATOM 438 CA ASN A 543 10.551 21.568 -23.817 1.00 0.00 C ATOM 439 C ASN A 543 9.839 21.814 -25.166 1.00 0.00 C ATOM 440 O ASN A 543 8.734 22.362 -25.186 1.00 0.00 O ATOM 441 CB ASN A 543 11.502 22.725 -23.446 1.00 0.00 C ATOM 442 CG ASN A 543 12.258 22.459 -22.150 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.711 22.535 -21.058 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.523 22.112 -22.226 1.00 0.00 N ATOM 0 H ASN A 543 12.311 20.449 -23.918 1.00 0.00 H new ATOM 0 HA ASN A 543 9.754 21.506 -23.076 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.216 22.879 -24.255 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.928 23.646 -23.347 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.047 21.906 -21.376 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.981 22.048 -23.135 1.00 0.00 H new ATOM 451 N THR A 544 10.430 21.360 -26.280 1.00 0.00 N ATOM 452 CA THR A 544 9.875 21.435 -27.652 1.00 0.00 C ATOM 453 C THR A 544 10.015 20.120 -28.443 1.00 0.00 C ATOM 454 O THR A 544 9.709 20.075 -29.638 1.00 0.00 O ATOM 455 CB THR A 544 10.504 22.590 -28.457 1.00 0.00 C ATOM 456 OG1 THR A 544 11.883 22.365 -28.660 1.00 0.00 O ATOM 457 CG2 THR A 544 10.348 23.952 -27.778 1.00 0.00 C ATOM 0 H THR A 544 11.346 20.911 -26.256 1.00 0.00 H new ATOM 0 HA THR A 544 8.810 21.624 -27.518 1.00 0.00 H new ATOM 0 HB THR A 544 9.966 22.611 -29.405 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.263 23.108 -29.174 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.812 24.721 -28.395 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.289 24.177 -27.653 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.832 23.929 -26.802 1.00 0.00 H new ATOM 465 N ARG A 545 10.457 19.036 -27.783 1.00 0.00 N ATOM 466 CA ARG A 545 10.691 17.678 -28.331 1.00 0.00 C ATOM 467 C ARG A 545 11.853 17.574 -29.340 1.00 0.00 C ATOM 468 O ARG A 545 12.025 16.527 -29.969 1.00 0.00 O ATOM 469 CB ARG A 545 9.367 17.075 -28.857 1.00 0.00 C ATOM 470 CG ARG A 545 9.183 15.609 -28.425 1.00 0.00 C ATOM 471 CD ARG A 545 7.957 14.943 -29.064 1.00 0.00 C ATOM 472 NE ARG A 545 6.708 15.694 -28.808 1.00 0.00 N ATOM 473 CZ ARG A 545 5.980 16.360 -29.690 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.247 16.355 -30.965 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.949 17.052 -29.296 1.00 0.00 N ATOM 0 H ARG A 545 10.676 19.082 -26.788 1.00 0.00 H new ATOM 0 HA ARG A 545 11.038 17.067 -27.498 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.529 17.668 -28.490 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.349 17.136 -29.945 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.076 15.043 -28.690 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.089 15.565 -27.340 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.113 14.858 -30.140 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.854 13.930 -28.676 1.00 0.00 H new ATOM 0 HE ARG A 545 6.371 15.699 -27.845 1.00 0.00 H new ATOM 0 HH11 ARG A 545 7.043 15.824 -31.317 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.660 16.882 -31.611 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.702 17.081 -28.307 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.389 17.565 -29.977 1.00 0.00 H new ATOM 489 N ARG A 546 12.639 18.645 -29.517 1.00 0.00 N ATOM 490 CA ARG A 546 13.797 18.717 -30.433 1.00 0.00 C ATOM 491 C ARG A 546 15.000 17.883 -29.965 1.00 0.00 C ATOM 492 O ARG A 546 15.086 17.447 -28.816 1.00 0.00 O ATOM 493 CB ARG A 546 14.201 20.190 -30.644 1.00 0.00 C ATOM 494 CG ARG A 546 13.209 20.930 -31.559 1.00 0.00 C ATOM 495 CD ARG A 546 13.701 22.338 -31.926 1.00 0.00 C ATOM 496 NE ARG A 546 14.887 22.298 -32.811 1.00 0.00 N ATOM 497 CZ ARG A 546 15.572 23.332 -33.268 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.250 24.562 -32.979 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.607 23.145 -34.037 1.00 0.00 N ATOM 0 H ARG A 546 12.485 19.517 -29.011 1.00 0.00 H new ATOM 0 HA ARG A 546 13.482 18.279 -31.380 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.251 20.695 -29.679 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.199 20.234 -31.079 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.056 20.351 -32.470 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.242 21.003 -31.061 1.00 0.00 H new ATOM 0 HD2 ARG A 546 12.898 22.885 -32.420 1.00 0.00 H new ATOM 0 HD3 ARG A 546 13.946 22.885 -31.016 1.00 0.00 H new ATOM 0 HE ARG A 546 15.210 21.374 -33.099 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.445 24.752 -32.381 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.803 25.335 -33.350 1.00 0.00 H new ATOM 0 HH21 ARG A 546 16.891 22.198 -34.288 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.133 23.945 -34.388 1.00 0.00 H new ATOM 513 N THR A 547 15.959 17.702 -30.873 1.00 0.00 N ATOM 514 CA THR A 547 17.205 16.936 -30.687 1.00 0.00 C ATOM 515 C THR A 547 18.368 17.567 -31.459 1.00 0.00 C ATOM 516 O THR A 547 18.150 18.322 -32.411 1.00 0.00 O ATOM 517 CB THR A 547 17.031 15.482 -31.165 1.00 0.00 C ATOM 518 OG1 THR A 547 16.491 15.425 -32.476 1.00 0.00 O ATOM 519 CG2 THR A 547 16.094 14.687 -30.254 1.00 0.00 C ATOM 0 H THR A 547 15.890 18.104 -31.808 1.00 0.00 H new ATOM 0 HA THR A 547 17.430 16.950 -29.621 1.00 0.00 H new ATOM 0 HB THR A 547 18.030 15.046 -31.145 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.246 14.500 -32.689 1.00 0.00 H new ATOM 0 HG21 THR A 547 16.000 13.668 -30.629 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.501 14.666 -29.243 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.112 15.160 -30.240 1.00 0.00 H new ATOM 527 N THR A 548 19.612 17.259 -31.075 1.00 0.00 N ATOM 528 CA THR A 548 20.824 17.784 -31.737 1.00 0.00 C ATOM 529 C THR A 548 22.057 16.897 -31.498 1.00 0.00 C ATOM 530 O THR A 548 22.177 16.218 -30.474 1.00 0.00 O ATOM 531 CB THR A 548 21.072 19.269 -31.365 1.00 0.00 C ATOM 532 OG1 THR A 548 22.396 19.670 -31.634 1.00 0.00 O ATOM 533 CG2 THR A 548 20.798 19.657 -29.911 1.00 0.00 C ATOM 0 H THR A 548 19.813 16.636 -30.293 1.00 0.00 H new ATOM 0 HA THR A 548 20.644 17.752 -32.812 1.00 0.00 H new ATOM 0 HB THR A 548 20.343 19.778 -31.996 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.875 19.803 -30.790 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.007 20.718 -29.772 1.00 0.00 H new ATOM 0 HG22 THR A 548 19.753 19.458 -29.672 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.439 19.072 -29.251 1.00 0.00 H new ATOM 541 N PHE A 549 22.972 16.888 -32.476 1.00 0.00 N ATOM 542 CA PHE A 549 24.249 16.156 -32.456 1.00 0.00 C ATOM 543 C PHE A 549 25.311 16.809 -31.542 1.00 0.00 C ATOM 544 O PHE A 549 26.320 16.189 -31.205 1.00 0.00 O ATOM 545 CB PHE A 549 24.812 16.087 -33.891 1.00 0.00 C ATOM 546 CG PHE A 549 23.828 15.772 -35.012 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.849 14.771 -34.853 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.894 16.483 -36.226 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.941 14.489 -35.889 1.00 0.00 C ATOM 550 CE2 PHE A 549 22.988 16.200 -37.265 1.00 0.00 C ATOM 551 CZ PHE A 549 22.010 15.205 -37.097 1.00 0.00 C ATOM 0 H PHE A 549 22.839 17.413 -33.341 1.00 0.00 H new ATOM 0 HA PHE A 549 24.040 15.164 -32.056 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.284 17.044 -34.115 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.598 15.332 -33.909 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.796 14.216 -33.928 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.643 17.249 -36.360 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.191 13.723 -35.757 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.044 16.749 -38.194 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.313 14.991 -37.894 1.00 0.00 H new ATOM 561 N GLU A 550 25.093 18.069 -31.162 1.00 0.00 N ATOM 562 CA GLU A 550 26.000 18.931 -30.390 1.00 0.00 C ATOM 563 C GLU A 550 25.212 19.833 -29.416 1.00 0.00 C ATOM 564 O GLU A 550 23.996 19.685 -29.280 1.00 0.00 O ATOM 565 CB GLU A 550 26.882 19.740 -31.367 1.00 0.00 C ATOM 566 CG GLU A 550 26.120 20.789 -32.196 1.00 0.00 C ATOM 567 CD GLU A 550 27.046 21.457 -33.230 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.903 22.288 -32.837 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.923 21.165 -34.446 1.00 0.00 O ATOM 0 H GLU A 550 24.224 18.548 -31.398 1.00 0.00 H new ATOM 0 HA GLU A 550 26.654 18.318 -29.771 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.664 20.243 -30.799 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.377 19.048 -32.048 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.282 20.315 -32.706 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.702 21.547 -31.534 1.00 0.00 H new ATOM 756 N PRO B2325 18.900 7.829 -35.439 1.00 0.00 N ATOM 757 CA PRO B2325 18.161 9.057 -35.151 1.00 0.00 C ATOM 758 C PRO B2325 17.739 9.111 -33.666 1.00 0.00 C ATOM 759 O PRO B2325 17.101 8.168 -33.183 1.00 0.00 O ATOM 760 CB PRO B2325 16.952 9.030 -36.092 1.00 0.00 C ATOM 761 CG PRO B2325 16.696 7.541 -36.323 1.00 0.00 C ATOM 762 CD PRO B2325 18.095 6.927 -36.253 1.00 0.00 C ATOM 0 HA PRO B2325 18.765 9.950 -35.314 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.087 9.519 -35.644 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.163 9.549 -37.027 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.035 7.124 -35.563 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.225 7.359 -37.289 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.060 5.931 -35.811 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.522 6.818 -37.250 1.00 0.00 H new ATOM 770 N PRO B2326 18.057 10.188 -32.920 1.00 0.00 N ATOM 771 CA PRO B2326 17.575 10.364 -31.551 1.00 0.00 C ATOM 772 C PRO B2326 16.067 10.679 -31.546 1.00 0.00 C ATOM 773 O PRO B2326 15.622 11.660 -32.146 1.00 0.00 O ATOM 774 CB PRO B2326 18.422 11.500 -30.970 1.00 0.00 C ATOM 775 CG PRO B2326 18.770 12.345 -32.195 1.00 0.00 C ATOM 776 CD PRO B2326 18.901 11.311 -33.311 1.00 0.00 C ATOM 0 HA PRO B2326 17.680 9.463 -30.947 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.868 12.076 -30.229 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.317 11.122 -30.476 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.991 13.076 -32.414 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.697 12.900 -32.050 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.580 11.726 -34.267 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.938 10.996 -33.432 1.00 0.00 H new ATOM 784 N SER B2327 15.287 9.849 -30.848 1.00 0.00 N ATOM 785 CA SER B2327 13.820 9.943 -30.753 1.00 0.00 C ATOM 786 C SER B2327 13.345 9.423 -29.392 1.00 0.00 C ATOM 787 O SER B2327 12.908 8.280 -29.270 1.00 0.00 O ATOM 788 CB SER B2327 13.128 9.170 -31.894 1.00 0.00 C ATOM 789 OG SER B2327 13.447 9.691 -33.175 1.00 0.00 O ATOM 0 H SER B2327 15.667 9.067 -30.315 1.00 0.00 H new ATOM 0 HA SER B2327 13.545 10.993 -30.850 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.422 8.121 -31.848 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.048 9.205 -31.750 1.00 0.00 H new ATOM 0 HG SER B2327 12.987 9.168 -33.865 1.00 0.00 H new ATOM 795 N TYR B2328 13.492 10.238 -28.343 1.00 0.00 N ATOM 796 CA TYR B2328 13.064 9.895 -26.980 1.00 0.00 C ATOM 797 C TYR B2328 11.540 10.079 -26.828 1.00 0.00 C ATOM 798 O TYR B2328 10.770 9.174 -27.162 1.00 0.00 O ATOM 799 CB TYR B2328 13.909 10.716 -25.991 1.00 0.00 C ATOM 800 CG TYR B2328 13.759 10.344 -24.526 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.411 9.202 -24.018 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.008 11.162 -23.659 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.315 8.879 -22.649 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.897 10.836 -22.292 1.00 0.00 C ATOM 805 CZ TYR B2328 13.557 9.698 -21.782 1.00 0.00 C ATOM 806 OH TYR B2328 13.462 9.402 -20.456 1.00 0.00 O ATOM 0 H TYR B2328 13.915 11.163 -28.415 1.00 0.00 H new ATOM 0 HA TYR B2328 13.239 8.842 -26.759 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.959 10.613 -26.267 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.650 11.768 -26.108 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.986 8.572 -24.680 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.515 12.043 -24.043 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.820 8.006 -22.263 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.307 11.457 -21.635 1.00 0.00 H new ATOM 0 HH TYR B2328 12.903 10.072 -20.010 1.00 0.00 H new ATOM 816 N GLU B2329 11.067 11.273 -26.439 1.00 0.00 N ATOM 817 CA GLU B2329 9.628 11.586 -26.380 1.00 0.00 C ATOM 818 C GLU B2329 8.942 11.477 -27.750 1.00 0.00 C ATOM 819 O GLU B2329 7.766 11.131 -27.820 1.00 0.00 O ATOM 820 CB GLU B2329 9.381 12.982 -25.787 1.00 0.00 C ATOM 821 CG GLU B2329 9.459 12.990 -24.252 1.00 0.00 C ATOM 822 CD GLU B2329 8.963 14.327 -23.670 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.406 15.398 -24.144 1.00 0.00 O ATOM 824 OE2 GLU B2329 8.125 14.310 -22.730 1.00 0.00 O ATOM 0 H GLU B2329 11.668 12.048 -26.157 1.00 0.00 H new ATOM 0 HA GLU B2329 9.185 10.836 -25.725 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.116 13.679 -26.189 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.399 13.338 -26.100 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.859 12.173 -23.852 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.488 12.814 -23.938 1.00 0.00 H new ATOM 831 N ASP B2330 9.672 11.720 -28.844 1.00 0.00 N ATOM 832 CA ASP B2330 9.160 11.617 -30.218 1.00 0.00 C ATOM 833 C ASP B2330 8.886 10.166 -30.684 1.00 0.00 C ATOM 834 O ASP B2330 8.280 9.968 -31.738 1.00 0.00 O ATOM 835 CB ASP B2330 10.126 12.348 -31.163 1.00 0.00 C ATOM 836 CG ASP B2330 9.453 12.735 -32.492 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.490 13.539 -32.462 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.908 12.279 -33.568 1.00 0.00 O ATOM 0 H ASP B2330 10.652 11.999 -28.800 1.00 0.00 H new ATOM 0 HA ASP B2330 8.181 12.096 -30.241 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.502 13.246 -30.673 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.987 11.711 -31.365 1.00 0.00 H new ATOM 843 N CYS B2331 9.274 9.151 -29.894 1.00 0.00 N ATOM 844 CA CYS B2331 8.967 7.735 -30.144 1.00 0.00 C ATOM 845 C CYS B2331 8.058 7.128 -29.058 1.00 0.00 C ATOM 846 O CYS B2331 7.159 6.351 -29.382 1.00 0.00 O ATOM 847 CB CYS B2331 10.284 6.957 -30.266 1.00 0.00 C ATOM 848 SG CYS B2331 9.989 5.283 -30.907 1.00 0.00 S ATOM 0 H CYS B2331 9.822 9.296 -29.046 1.00 0.00 H new ATOM 0 HA CYS B2331 8.408 7.662 -31.077 1.00 0.00 H new ATOM 0 HB2 CYS B2331 10.966 7.490 -30.929 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.768 6.898 -29.291 1.00 0.00 H new ATOM 0 HG CYS B2331 11.120 4.649 -31.002 1.00 0.00 H new ATOM 854 N ILE B2332 8.225 7.515 -27.785 1.00 0.00 N ATOM 855 CA ILE B2332 7.393 7.036 -26.657 1.00 0.00 C ATOM 856 C ILE B2332 6.117 7.886 -26.426 1.00 0.00 C ATOM 857 O ILE B2332 5.572 7.902 -25.318 1.00 0.00 O ATOM 858 CB ILE B2332 8.235 6.860 -25.370 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.733 8.199 -24.777 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.418 5.900 -25.606 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.462 8.310 -23.271 1.00 0.00 C ATOM 0 H ILE B2332 8.948 8.176 -27.500 1.00 0.00 H new ATOM 0 HA ILE B2332 7.025 6.050 -26.942 1.00 0.00 H new ATOM 0 HB ILE B2332 7.564 6.421 -24.631 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.803 8.298 -24.959 1.00 0.00 H new ATOM 0 HG13 ILE B2332 8.244 9.026 -25.293 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.991 5.796 -24.685 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.040 4.924 -25.910 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.061 6.300 -26.390 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.831 9.268 -22.905 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.390 8.240 -23.088 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.973 7.501 -22.749 1.00 0.00 H new