USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot -61:sc= 0.91 USER MOD Single : A 542 HIS : no HD1:sc= 0.0726 K(o=0.073,f=-0.69) USER MOD Single : A 543 ASN : amide:sc= 1.1 K(o=1.1,f=-0.021) USER MOD Single : A 544 THR OG1 : rot -56:sc= 1.28 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot -97:sc= 0.444 USER MOD Single : B2327 SER OG : rot 9:sc= 0.321 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 24.299 17.374 -14.395 1.00 0.00 N ATOM 117 CA LEU A 523 23.650 17.365 -15.717 1.00 0.00 C ATOM 118 C LEU A 523 23.212 18.784 -16.176 1.00 0.00 C ATOM 119 O LEU A 523 22.989 19.656 -15.326 1.00 0.00 O ATOM 120 CB LEU A 523 22.507 16.321 -15.717 1.00 0.00 C ATOM 121 CG LEU A 523 21.151 16.768 -15.118 1.00 0.00 C ATOM 122 CD1 LEU A 523 20.029 16.591 -16.144 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.783 15.951 -13.877 1.00 0.00 C ATOM 0 HA LEU A 523 24.375 17.059 -16.471 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.336 16.005 -16.746 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.848 15.444 -15.167 1.00 0.00 H new ATOM 0 HG LEU A 523 21.260 17.817 -14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.083 16.910 -15.707 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.243 17.195 -17.025 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.961 15.542 -16.431 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.825 16.295 -13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.709 14.897 -14.144 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.553 16.079 -13.116 1.00 0.00 H new ATOM 135 N PRO A 524 23.074 19.044 -17.493 1.00 0.00 N ATOM 136 CA PRO A 524 22.649 20.346 -18.027 1.00 0.00 C ATOM 137 C PRO A 524 21.172 20.692 -17.715 1.00 0.00 C ATOM 138 O PRO A 524 20.350 19.793 -17.510 1.00 0.00 O ATOM 139 CB PRO A 524 22.921 20.278 -19.535 1.00 0.00 C ATOM 140 CG PRO A 524 22.885 18.786 -19.851 1.00 0.00 C ATOM 141 CD PRO A 524 23.431 18.145 -18.580 1.00 0.00 C ATOM 0 HA PRO A 524 23.205 21.153 -17.549 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.167 20.824 -20.101 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.887 20.716 -19.786 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.873 18.446 -20.070 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.498 18.544 -20.719 1.00 0.00 H new ATOM 0 HD2 PRO A 524 23.000 17.156 -18.426 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.512 18.016 -18.641 1.00 0.00 H new ATOM 149 N PRO A 525 20.804 21.990 -17.690 1.00 0.00 N ATOM 150 CA PRO A 525 19.499 22.462 -17.214 1.00 0.00 C ATOM 151 C PRO A 525 18.349 22.125 -18.179 1.00 0.00 C ATOM 152 O PRO A 525 18.285 22.648 -19.293 1.00 0.00 O ATOM 153 CB PRO A 525 19.662 23.978 -17.029 1.00 0.00 C ATOM 154 CG PRO A 525 20.749 24.351 -18.037 1.00 0.00 C ATOM 155 CD PRO A 525 21.659 23.124 -18.021 1.00 0.00 C ATOM 0 HA PRO A 525 19.222 21.963 -16.285 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.731 24.508 -17.229 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.958 24.228 -16.010 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.335 24.535 -19.029 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.282 25.254 -17.741 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.138 22.981 -18.990 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.455 23.239 -17.286 1.00 0.00 H new ATOM 163 N GLY A 526 17.413 21.273 -17.746 1.00 0.00 N ATOM 164 CA GLY A 526 16.212 20.914 -18.518 1.00 0.00 C ATOM 165 C GLY A 526 16.487 20.135 -19.816 1.00 0.00 C ATOM 166 O GLY A 526 15.674 20.180 -20.741 1.00 0.00 O ATOM 0 H GLY A 526 17.466 20.807 -16.840 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.556 20.317 -17.885 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.671 21.827 -18.767 1.00 0.00 H new ATOM 170 N TRP A 527 17.615 19.422 -19.883 1.00 0.00 N ATOM 171 CA TRP A 527 18.068 18.618 -21.028 1.00 0.00 C ATOM 172 C TRP A 527 18.223 17.136 -20.637 1.00 0.00 C ATOM 173 O TRP A 527 18.372 16.786 -19.464 1.00 0.00 O ATOM 174 CB TRP A 527 19.424 19.166 -21.523 1.00 0.00 C ATOM 175 CG TRP A 527 19.395 20.314 -22.483 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.563 21.623 -22.164 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.278 20.285 -23.943 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.541 22.393 -23.302 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.368 21.626 -24.441 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.138 19.263 -24.900 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.304 21.930 -25.802 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.066 19.556 -26.284 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.147 20.881 -26.733 1.00 0.00 C ATOM 0 H TRP A 527 18.271 19.386 -19.103 1.00 0.00 H new ATOM 0 HA TRP A 527 17.322 18.685 -21.820 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.002 19.471 -20.651 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.966 18.346 -21.995 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.695 22.004 -21.162 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.640 23.408 -23.307 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.084 18.235 -24.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.374 22.954 -26.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.948 18.754 -26.997 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.089 21.099 -27.789 1.00 0.00 H new ATOM 194 N GLU A 528 18.261 16.267 -21.645 1.00 0.00 N ATOM 195 CA GLU A 528 18.586 14.841 -21.541 1.00 0.00 C ATOM 196 C GLU A 528 19.641 14.472 -22.597 1.00 0.00 C ATOM 197 O GLU A 528 19.742 15.130 -23.635 1.00 0.00 O ATOM 198 CB GLU A 528 17.276 14.037 -21.654 1.00 0.00 C ATOM 199 CG GLU A 528 17.398 12.511 -21.790 1.00 0.00 C ATOM 200 CD GLU A 528 17.941 11.850 -20.507 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.136 12.075 -20.176 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.191 11.115 -19.832 1.00 0.00 O ATOM 0 H GLU A 528 18.057 16.549 -22.604 1.00 0.00 H new ATOM 0 HA GLU A 528 19.033 14.596 -20.577 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.672 14.250 -20.772 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.724 14.410 -22.517 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.421 12.090 -22.027 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.058 12.275 -22.625 1.00 0.00 H new ATOM 209 N ILE A 529 20.462 13.459 -22.308 1.00 0.00 N ATOM 210 CA ILE A 529 21.662 13.093 -23.069 1.00 0.00 C ATOM 211 C ILE A 529 21.758 11.569 -23.151 1.00 0.00 C ATOM 212 O ILE A 529 21.724 10.881 -22.127 1.00 0.00 O ATOM 213 CB ILE A 529 22.959 13.674 -22.449 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.840 15.123 -21.924 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.086 13.625 -23.497 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.368 15.198 -20.466 1.00 0.00 C ATOM 0 H ILE A 529 20.304 12.847 -21.507 1.00 0.00 H new ATOM 0 HA ILE A 529 21.568 13.523 -24.066 1.00 0.00 H new ATOM 0 HB ILE A 529 23.172 13.051 -21.580 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.808 15.616 -22.012 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.143 15.675 -22.554 1.00 0.00 H new ATOM 0 HG21 ILE A 529 25.001 14.032 -23.067 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.256 12.592 -23.800 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.800 14.216 -24.367 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.305 16.241 -20.157 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.386 14.733 -20.377 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.077 14.673 -19.826 1.00 0.00 H new ATOM 228 N ARG A 530 21.850 11.032 -24.371 1.00 0.00 N ATOM 229 CA ARG A 530 21.767 9.587 -24.660 1.00 0.00 C ATOM 230 C ARG A 530 22.913 9.143 -25.574 1.00 0.00 C ATOM 231 O ARG A 530 23.517 9.956 -26.273 1.00 0.00 O ATOM 232 CB ARG A 530 20.388 9.259 -25.278 1.00 0.00 C ATOM 233 CG ARG A 530 19.175 9.553 -24.362 1.00 0.00 C ATOM 234 CD ARG A 530 18.444 8.298 -23.862 1.00 0.00 C ATOM 235 NE ARG A 530 19.246 7.512 -22.900 1.00 0.00 N ATOM 236 CZ ARG A 530 18.940 6.318 -22.418 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.854 5.686 -22.764 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.727 5.726 -21.565 1.00 0.00 N ATOM 0 H ARG A 530 21.987 11.598 -25.208 1.00 0.00 H new ATOM 0 HA ARG A 530 21.869 9.032 -23.728 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.275 9.829 -26.200 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.371 8.204 -25.551 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.515 10.129 -23.501 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.467 10.180 -24.905 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.506 8.593 -23.391 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.188 7.669 -24.714 1.00 0.00 H new ATOM 0 HE ARG A 530 20.119 7.930 -22.577 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.206 6.111 -23.428 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.652 4.767 -22.371 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.588 6.183 -21.263 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.483 4.806 -21.199 1.00 0.00 H new ATOM 252 N TYR A 531 23.205 7.843 -25.557 1.00 0.00 N ATOM 253 CA TYR A 531 24.407 7.232 -26.136 1.00 0.00 C ATOM 254 C TYR A 531 23.999 6.001 -26.956 1.00 0.00 C ATOM 255 O TYR A 531 23.727 4.932 -26.404 1.00 0.00 O ATOM 256 CB TYR A 531 25.400 6.872 -25.011 1.00 0.00 C ATOM 257 CG TYR A 531 25.931 8.056 -24.215 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.154 8.620 -23.179 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.208 8.582 -24.493 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.626 9.733 -22.462 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.702 9.673 -23.748 1.00 0.00 C ATOM 262 CZ TYR A 531 26.904 10.263 -22.744 1.00 0.00 C ATOM 263 OH TYR A 531 27.359 11.332 -22.034 1.00 0.00 O ATOM 0 H TYR A 531 22.588 7.157 -25.123 1.00 0.00 H new ATOM 0 HA TYR A 531 24.907 7.934 -26.804 1.00 0.00 H new ATOM 0 HB2 TYR A 531 24.911 6.182 -24.323 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.245 6.341 -25.449 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.192 8.194 -22.936 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.810 8.149 -25.278 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.012 10.182 -21.696 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.692 10.057 -23.946 1.00 0.00 H new ATOM 0 HH TYR A 531 28.255 11.576 -22.348 1.00 0.00 H new ATOM 273 N THR A 532 23.874 6.178 -28.271 1.00 0.00 N ATOM 274 CA THR A 532 23.402 5.131 -29.196 1.00 0.00 C ATOM 275 C THR A 532 24.399 3.975 -29.333 1.00 0.00 C ATOM 276 O THR A 532 25.607 4.153 -29.155 1.00 0.00 O ATOM 277 CB THR A 532 23.088 5.700 -30.588 1.00 0.00 C ATOM 278 OG1 THR A 532 24.236 6.252 -31.189 1.00 0.00 O ATOM 279 CG2 THR A 532 21.984 6.759 -30.554 1.00 0.00 C ATOM 0 H THR A 532 24.098 7.058 -28.735 1.00 0.00 H new ATOM 0 HA THR A 532 22.485 4.741 -28.755 1.00 0.00 H new ATOM 0 HB THR A 532 22.736 4.856 -31.181 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.569 6.992 -30.640 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.802 7.127 -31.564 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.069 6.318 -30.158 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.293 7.587 -29.916 1.00 0.00 H new ATOM 287 N ALA A 533 23.908 2.779 -29.685 1.00 0.00 N ATOM 288 CA ALA A 533 24.734 1.576 -29.863 1.00 0.00 C ATOM 289 C ALA A 533 25.770 1.683 -31.009 1.00 0.00 C ATOM 290 O ALA A 533 26.737 0.917 -31.051 1.00 0.00 O ATOM 291 CB ALA A 533 23.805 0.370 -30.051 1.00 0.00 C ATOM 0 H ALA A 533 22.916 2.617 -29.856 1.00 0.00 H new ATOM 0 HA ALA A 533 25.338 1.453 -28.964 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.402 -0.532 -30.185 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.171 0.258 -29.171 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.181 0.525 -30.931 1.00 0.00 H new ATOM 297 N ALA A 534 25.623 2.671 -31.903 1.00 0.00 N ATOM 298 CA ALA A 534 26.640 3.059 -32.888 1.00 0.00 C ATOM 299 C ALA A 534 27.915 3.681 -32.268 1.00 0.00 C ATOM 300 O ALA A 534 28.918 3.850 -32.967 1.00 0.00 O ATOM 301 CB ALA A 534 25.986 4.036 -33.874 1.00 0.00 C ATOM 0 H ALA A 534 24.775 3.234 -31.962 1.00 0.00 H new ATOM 0 HA ALA A 534 26.985 2.155 -33.389 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.718 4.344 -34.621 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.147 3.547 -34.369 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.628 4.913 -33.334 1.00 0.00 H new ATOM 307 N GLY A 535 27.885 4.037 -30.978 1.00 0.00 N ATOM 308 CA GLY A 535 28.977 4.709 -30.269 1.00 0.00 C ATOM 309 C GLY A 535 28.889 6.239 -30.341 1.00 0.00 C ATOM 310 O GLY A 535 29.922 6.910 -30.295 1.00 0.00 O ATOM 0 H GLY A 535 27.076 3.860 -30.383 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.969 4.399 -29.224 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.929 4.385 -30.690 1.00 0.00 H new ATOM 314 N GLU A 536 27.682 6.793 -30.504 1.00 0.00 N ATOM 315 CA GLU A 536 27.456 8.212 -30.819 1.00 0.00 C ATOM 316 C GLU A 536 26.455 8.855 -29.843 1.00 0.00 C ATOM 317 O GLU A 536 25.346 8.353 -29.624 1.00 0.00 O ATOM 318 CB GLU A 536 26.993 8.364 -32.280 1.00 0.00 C ATOM 319 CG GLU A 536 28.024 7.817 -33.281 1.00 0.00 C ATOM 320 CD GLU A 536 27.610 8.028 -34.751 1.00 0.00 C ATOM 321 OE1 GLU A 536 26.415 7.815 -35.083 1.00 0.00 O ATOM 322 OE2 GLU A 536 28.483 8.351 -35.589 1.00 0.00 O ATOM 0 H GLU A 536 26.817 6.259 -30.419 1.00 0.00 H new ATOM 0 HA GLU A 536 28.401 8.743 -30.700 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.046 7.840 -32.415 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.808 9.417 -32.492 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.984 8.303 -33.107 1.00 0.00 H new ATOM 0 HG3 GLU A 536 28.168 6.752 -33.100 1.00 0.00 H new ATOM 329 N ARG A 537 26.883 9.963 -29.230 1.00 0.00 N ATOM 330 CA ARG A 537 26.136 10.756 -28.246 1.00 0.00 C ATOM 331 C ARG A 537 25.195 11.756 -28.922 1.00 0.00 C ATOM 332 O ARG A 537 25.552 12.366 -29.929 1.00 0.00 O ATOM 333 CB ARG A 537 27.175 11.459 -27.352 1.00 0.00 C ATOM 334 CG ARG A 537 26.613 12.473 -26.341 1.00 0.00 C ATOM 335 CD ARG A 537 27.774 12.981 -25.474 1.00 0.00 C ATOM 336 NE ARG A 537 27.382 14.119 -24.616 1.00 0.00 N ATOM 337 CZ ARG A 537 28.111 14.642 -23.644 1.00 0.00 C ATOM 338 NH1 ARG A 537 29.290 14.175 -23.335 1.00 0.00 N ATOM 339 NH2 ARG A 537 27.668 15.660 -22.961 1.00 0.00 N ATOM 0 H ARG A 537 27.808 10.352 -29.416 1.00 0.00 H new ATOM 0 HA ARG A 537 25.494 10.112 -27.645 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.729 10.697 -26.804 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.890 11.973 -27.994 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.136 13.303 -26.861 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.850 12.006 -25.718 1.00 0.00 H new ATOM 0 HD2 ARG A 537 28.139 12.167 -24.848 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.600 13.283 -26.118 1.00 0.00 H new ATOM 0 HE ARG A 537 26.468 14.538 -24.789 1.00 0.00 H new ATOM 0 HH11 ARG A 537 29.676 13.383 -23.849 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.826 14.602 -22.579 1.00 0.00 H new ATOM 0 HH21 ARG A 537 26.754 16.058 -23.175 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.236 16.058 -22.213 1.00 0.00 H new ATOM 353 N PHE A 538 24.027 11.971 -28.319 1.00 0.00 N ATOM 354 CA PHE A 538 23.024 12.956 -28.738 1.00 0.00 C ATOM 355 C PHE A 538 22.357 13.612 -27.522 1.00 0.00 C ATOM 356 O PHE A 538 22.383 13.073 -26.413 1.00 0.00 O ATOM 357 CB PHE A 538 21.947 12.279 -29.602 1.00 0.00 C ATOM 358 CG PHE A 538 22.434 11.709 -30.919 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.876 10.383 -30.992 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.405 12.506 -32.088 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.275 9.836 -32.233 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.789 11.963 -33.318 1.00 0.00 C ATOM 363 CZ PHE A 538 23.219 10.618 -33.389 1.00 0.00 C ATOM 0 H PHE A 538 23.740 11.445 -27.493 1.00 0.00 H new ATOM 0 HA PHE A 538 23.532 13.726 -29.319 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.493 11.475 -29.023 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.161 13.006 -29.808 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.912 9.777 -30.099 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.086 13.536 -32.030 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.623 8.815 -32.287 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.757 12.569 -34.211 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.505 10.194 -34.340 1.00 0.00 H new ATOM 373 N PHE A 539 21.702 14.747 -27.753 1.00 0.00 N ATOM 374 CA PHE A 539 20.984 15.537 -26.753 1.00 0.00 C ATOM 375 C PHE A 539 19.502 15.689 -27.145 1.00 0.00 C ATOM 376 O PHE A 539 19.144 15.662 -28.327 1.00 0.00 O ATOM 377 CB PHE A 539 21.643 16.920 -26.619 1.00 0.00 C ATOM 378 CG PHE A 539 23.118 16.947 -26.247 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.106 16.744 -27.233 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.507 17.257 -24.930 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.468 16.836 -26.901 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.873 17.368 -24.601 1.00 0.00 C ATOM 383 CZ PHE A 539 25.854 17.156 -25.586 1.00 0.00 C ATOM 0 H PHE A 539 21.654 15.161 -28.684 1.00 0.00 H new ATOM 0 HA PHE A 539 21.032 15.021 -25.794 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.522 17.446 -27.566 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.093 17.486 -25.867 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.814 16.517 -28.248 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.756 17.410 -24.169 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.220 16.661 -27.656 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.167 17.616 -23.592 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.901 17.239 -25.334 1.00 0.00 H new ATOM 393 N VAL A 540 18.651 15.855 -26.135 1.00 0.00 N ATOM 394 CA VAL A 540 17.186 15.788 -26.206 1.00 0.00 C ATOM 395 C VAL A 540 16.574 16.917 -25.378 1.00 0.00 C ATOM 396 O VAL A 540 16.875 17.056 -24.190 1.00 0.00 O ATOM 397 CB VAL A 540 16.711 14.424 -25.666 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.184 14.295 -25.644 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.271 13.217 -26.438 1.00 0.00 C ATOM 0 H VAL A 540 18.980 16.051 -25.190 1.00 0.00 H new ATOM 0 HA VAL A 540 16.867 15.898 -27.242 1.00 0.00 H new ATOM 0 HB VAL A 540 17.104 14.405 -24.650 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.907 13.315 -25.255 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.762 15.071 -25.006 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.795 14.407 -26.656 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.891 12.295 -25.998 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.960 13.276 -27.481 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.360 13.223 -26.383 1.00 0.00 H new ATOM 409 N ASP A 541 15.701 17.716 -25.995 1.00 0.00 N ATOM 410 CA ASP A 541 15.063 18.885 -25.379 1.00 0.00 C ATOM 411 C ASP A 541 13.572 18.637 -25.091 1.00 0.00 C ATOM 412 O ASP A 541 12.707 18.849 -25.943 1.00 0.00 O ATOM 413 CB ASP A 541 15.252 20.126 -26.268 1.00 0.00 C ATOM 414 CG ASP A 541 14.551 21.349 -25.652 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.770 21.623 -24.456 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.739 22.005 -26.355 1.00 0.00 O ATOM 0 H ASP A 541 15.410 17.566 -26.961 1.00 0.00 H new ATOM 0 HA ASP A 541 15.550 19.064 -24.420 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.315 20.333 -26.390 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.849 19.932 -27.262 1.00 0.00 H new ATOM 421 N HIS A 542 13.255 18.190 -23.873 1.00 0.00 N ATOM 422 CA HIS A 542 11.873 17.932 -23.427 1.00 0.00 C ATOM 423 C HIS A 542 10.951 19.166 -23.504 1.00 0.00 C ATOM 424 O HIS A 542 9.728 19.021 -23.540 1.00 0.00 O ATOM 425 CB HIS A 542 11.888 17.381 -21.991 1.00 0.00 C ATOM 426 CG HIS A 542 12.696 16.119 -21.784 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.341 15.771 -20.593 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.884 15.108 -22.688 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.896 14.567 -20.802 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.646 14.151 -22.060 1.00 0.00 N ATOM 0 H HIS A 542 13.954 17.993 -23.157 1.00 0.00 H new ATOM 0 HA HIS A 542 11.458 17.198 -24.118 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.278 18.154 -21.328 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.860 17.187 -21.684 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.507 15.070 -23.699 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.461 14.011 -20.068 1.00 0.00 H new ATOM 0 HE2 HIS A 542 13.967 13.276 -22.475 1.00 0.00 H new ATOM 437 N ASN A 543 11.513 20.381 -23.545 1.00 0.00 N ATOM 438 CA ASN A 543 10.757 21.637 -23.626 1.00 0.00 C ATOM 439 C ASN A 543 10.056 21.849 -24.986 1.00 0.00 C ATOM 440 O ASN A 543 9.044 22.552 -25.045 1.00 0.00 O ATOM 441 CB ASN A 543 11.699 22.813 -23.307 1.00 0.00 C ATOM 442 CG ASN A 543 12.408 22.643 -21.971 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.829 22.805 -20.905 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.664 22.268 -21.990 1.00 0.00 N ATOM 0 H ASN A 543 12.523 20.521 -23.522 1.00 0.00 H new ATOM 0 HA ASN A 543 9.955 21.583 -22.889 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.441 22.906 -24.100 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.127 23.741 -23.296 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.162 22.110 -21.114 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.143 22.134 -22.881 1.00 0.00 H new ATOM 451 N THR A 544 10.560 21.237 -26.068 1.00 0.00 N ATOM 452 CA THR A 544 10.031 21.391 -27.445 1.00 0.00 C ATOM 453 C THR A 544 9.989 20.090 -28.262 1.00 0.00 C ATOM 454 O THR A 544 9.508 20.089 -29.399 1.00 0.00 O ATOM 455 CB THR A 544 10.839 22.426 -28.246 1.00 0.00 C ATOM 456 OG1 THR A 544 12.154 21.959 -28.452 1.00 0.00 O ATOM 457 CG2 THR A 544 10.898 23.806 -27.589 1.00 0.00 C ATOM 0 H THR A 544 11.361 20.608 -26.017 1.00 0.00 H new ATOM 0 HA THR A 544 9.004 21.724 -27.296 1.00 0.00 H new ATOM 0 HB THR A 544 10.314 22.546 -29.194 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.565 21.747 -27.588 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.485 24.481 -28.212 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.888 24.200 -27.479 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.364 23.722 -26.607 1.00 0.00 H new ATOM 465 N ARG A 545 10.484 18.978 -27.697 1.00 0.00 N ATOM 466 CA ARG A 545 10.652 17.647 -28.318 1.00 0.00 C ATOM 467 C ARG A 545 11.758 17.580 -29.393 1.00 0.00 C ATOM 468 O ARG A 545 11.906 16.546 -30.050 1.00 0.00 O ATOM 469 CB ARG A 545 9.283 17.101 -28.789 1.00 0.00 C ATOM 470 CG ARG A 545 9.144 15.586 -28.574 1.00 0.00 C ATOM 471 CD ARG A 545 7.759 15.064 -28.977 1.00 0.00 C ATOM 472 NE ARG A 545 7.563 15.077 -30.438 1.00 0.00 N ATOM 473 CZ ARG A 545 6.851 15.909 -31.175 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.180 16.912 -30.682 1.00 0.00 N ATOM 475 NH2 ARG A 545 6.824 15.716 -32.459 1.00 0.00 N ATOM 0 H ARG A 545 10.800 18.981 -26.727 1.00 0.00 H new ATOM 0 HA ARG A 545 11.027 16.976 -27.545 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.487 17.615 -28.251 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.150 17.328 -29.847 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.908 15.068 -29.154 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.327 15.352 -27.525 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.633 14.048 -28.604 1.00 0.00 H new ATOM 0 HD3 ARG A 545 6.990 15.675 -28.503 1.00 0.00 H new ATOM 0 HE ARG A 545 8.045 14.339 -30.952 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.188 17.086 -29.677 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.647 17.523 -31.301 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.343 14.940 -32.869 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.283 16.341 -33.057 1.00 0.00 H new ATOM 489 N ARG A 546 12.547 18.652 -29.578 1.00 0.00 N ATOM 490 CA ARG A 546 13.725 18.680 -30.474 1.00 0.00 C ATOM 491 C ARG A 546 14.881 17.798 -29.977 1.00 0.00 C ATOM 492 O ARG A 546 14.949 17.424 -28.805 1.00 0.00 O ATOM 493 CB ARG A 546 14.223 20.125 -30.661 1.00 0.00 C ATOM 494 CG ARG A 546 13.276 21.012 -31.483 1.00 0.00 C ATOM 495 CD ARG A 546 13.988 22.322 -31.872 1.00 0.00 C ATOM 496 NE ARG A 546 13.151 23.523 -31.663 1.00 0.00 N ATOM 497 CZ ARG A 546 13.242 24.380 -30.660 1.00 0.00 C ATOM 498 NH1 ARG A 546 13.985 24.155 -29.614 1.00 0.00 N ATOM 499 NH2 ARG A 546 12.585 25.503 -30.693 1.00 0.00 N ATOM 0 H ARG A 546 12.385 19.540 -29.103 1.00 0.00 H new ATOM 0 HA ARG A 546 13.394 18.271 -31.429 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.368 20.578 -29.680 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.197 20.102 -31.149 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.955 20.482 -32.380 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.379 21.234 -30.905 1.00 0.00 H new ATOM 0 HD2 ARG A 546 14.903 22.418 -31.287 1.00 0.00 H new ATOM 0 HD3 ARG A 546 14.283 22.270 -32.920 1.00 0.00 H new ATOM 0 HE ARG A 546 12.432 23.709 -32.362 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.524 23.292 -29.548 1.00 0.00 H new ATOM 0 HH12 ARG A 546 14.028 24.842 -28.861 1.00 0.00 H new ATOM 0 HH21 ARG A 546 11.996 25.726 -31.495 1.00 0.00 H new ATOM 0 HH22 ARG A 546 12.659 26.160 -29.916 1.00 0.00 H new ATOM 513 N THR A 547 15.823 17.521 -30.876 1.00 0.00 N ATOM 514 CA THR A 547 17.057 16.755 -30.638 1.00 0.00 C ATOM 515 C THR A 547 18.232 17.309 -31.450 1.00 0.00 C ATOM 516 O THR A 547 18.037 18.042 -32.421 1.00 0.00 O ATOM 517 CB THR A 547 16.864 15.274 -31.010 1.00 0.00 C ATOM 518 OG1 THR A 547 16.371 15.144 -32.331 1.00 0.00 O ATOM 519 CG2 THR A 547 15.877 14.551 -30.083 1.00 0.00 C ATOM 0 H THR A 547 15.748 17.839 -31.842 1.00 0.00 H new ATOM 0 HA THR A 547 17.281 16.846 -29.575 1.00 0.00 H new ATOM 0 HB THR A 547 17.850 14.819 -30.911 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.107 14.214 -32.492 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.781 13.511 -30.394 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.245 14.591 -29.058 1.00 0.00 H new ATOM 0 HG23 THR A 547 14.903 15.037 -30.138 1.00 0.00 H new ATOM 527 N THR A 548 19.466 17.006 -31.039 1.00 0.00 N ATOM 528 CA THR A 548 20.706 17.487 -31.687 1.00 0.00 C ATOM 529 C THR A 548 21.914 16.593 -31.366 1.00 0.00 C ATOM 530 O THR A 548 21.968 15.966 -30.308 1.00 0.00 O ATOM 531 CB THR A 548 20.980 18.962 -31.311 1.00 0.00 C ATOM 532 OG1 THR A 548 22.245 19.397 -31.763 1.00 0.00 O ATOM 533 CG2 THR A 548 20.917 19.276 -29.814 1.00 0.00 C ATOM 0 H THR A 548 19.643 16.408 -30.232 1.00 0.00 H new ATOM 0 HA THR A 548 20.554 17.430 -32.765 1.00 0.00 H new ATOM 0 HB THR A 548 20.167 19.491 -31.809 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.896 19.325 -31.034 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.123 20.334 -29.655 1.00 0.00 H new ATOM 0 HG22 THR A 548 19.923 19.039 -29.434 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.660 18.678 -29.285 1.00 0.00 H new ATOM 541 N PHE A 549 22.876 16.498 -32.292 1.00 0.00 N ATOM 542 CA PHE A 549 24.148 15.784 -32.096 1.00 0.00 C ATOM 543 C PHE A 549 25.168 16.619 -31.300 1.00 0.00 C ATOM 544 O PHE A 549 25.790 16.119 -30.361 1.00 0.00 O ATOM 545 CB PHE A 549 24.723 15.415 -33.474 1.00 0.00 C ATOM 546 CG PHE A 549 26.115 14.811 -33.413 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.299 13.525 -32.864 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.233 15.548 -33.849 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.591 12.989 -32.741 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.529 15.003 -33.735 1.00 0.00 C ATOM 551 CZ PHE A 549 28.709 13.726 -33.181 1.00 0.00 C ATOM 0 H PHE A 549 22.793 16.922 -33.216 1.00 0.00 H new ATOM 0 HA PHE A 549 23.952 14.885 -31.511 1.00 0.00 H new ATOM 0 HB2 PHE A 549 24.051 14.708 -33.961 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.751 16.309 -34.097 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.444 12.951 -32.537 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.098 16.533 -34.272 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.728 12.009 -32.308 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.384 15.569 -34.074 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.701 13.309 -33.092 1.00 0.00 H new ATOM 561 N GLU A 550 25.330 17.896 -31.661 1.00 0.00 N ATOM 562 CA GLU A 550 26.172 18.864 -30.944 1.00 0.00 C ATOM 563 C GLU A 550 25.418 19.525 -29.769 1.00 0.00 C ATOM 564 O GLU A 550 24.249 19.225 -29.521 1.00 0.00 O ATOM 565 CB GLU A 550 26.738 19.892 -31.945 1.00 0.00 C ATOM 566 CG GLU A 550 25.686 20.830 -32.560 1.00 0.00 C ATOM 567 CD GLU A 550 26.322 21.739 -33.632 1.00 0.00 C ATOM 568 OE1 GLU A 550 26.933 22.777 -33.272 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.224 21.420 -34.842 1.00 0.00 O ATOM 0 H GLU A 550 24.870 18.296 -32.478 1.00 0.00 H new ATOM 0 HA GLU A 550 27.011 18.337 -30.489 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.493 20.495 -31.440 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.243 19.357 -32.749 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.884 20.242 -33.005 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.236 21.442 -31.778 1.00 0.00 H new ATOM 756 N PRO B2325 18.950 7.910 -35.619 1.00 0.00 N ATOM 757 CA PRO B2325 18.171 9.100 -35.276 1.00 0.00 C ATOM 758 C PRO B2325 17.806 9.119 -33.773 1.00 0.00 C ATOM 759 O PRO B2325 17.190 8.162 -33.288 1.00 0.00 O ATOM 760 CB PRO B2325 16.921 9.024 -36.162 1.00 0.00 C ATOM 761 CG PRO B2325 16.706 7.524 -36.371 1.00 0.00 C ATOM 762 CD PRO B2325 18.127 6.956 -36.357 1.00 0.00 C ATOM 0 HA PRO B2325 18.731 10.019 -35.449 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.061 9.487 -35.679 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.071 9.542 -37.109 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.093 7.092 -35.580 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.200 7.318 -37.314 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.148 5.976 -35.880 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.502 6.825 -37.372 1.00 0.00 H new ATOM 770 N PRO B2326 18.130 10.183 -33.012 1.00 0.00 N ATOM 771 CA PRO B2326 17.655 10.344 -31.637 1.00 0.00 C ATOM 772 C PRO B2326 16.146 10.647 -31.618 1.00 0.00 C ATOM 773 O PRO B2326 15.671 11.556 -32.303 1.00 0.00 O ATOM 774 CB PRO B2326 18.491 11.488 -31.055 1.00 0.00 C ATOM 775 CG PRO B2326 18.814 12.343 -32.279 1.00 0.00 C ATOM 776 CD PRO B2326 18.960 11.317 -33.399 1.00 0.00 C ATOM 0 HA PRO B2326 17.775 9.438 -31.043 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.935 12.052 -30.306 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.396 11.120 -30.571 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.019 13.058 -32.491 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.730 12.917 -32.138 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.635 11.731 -34.353 1.00 0.00 H new ATOM 0 HD3 PRO B2326 20.001 11.016 -33.520 1.00 0.00 H new ATOM 784 N SER B2327 15.380 9.881 -30.836 1.00 0.00 N ATOM 785 CA SER B2327 13.917 10.004 -30.699 1.00 0.00 C ATOM 786 C SER B2327 13.464 9.456 -29.341 1.00 0.00 C ATOM 787 O SER B2327 13.221 8.257 -29.196 1.00 0.00 O ATOM 788 CB SER B2327 13.189 9.257 -31.831 1.00 0.00 C ATOM 789 OG SER B2327 13.352 9.920 -33.075 1.00 0.00 O ATOM 0 H SER B2327 15.768 9.133 -30.261 1.00 0.00 H new ATOM 0 HA SER B2327 13.662 11.062 -30.765 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.575 8.240 -31.905 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.128 9.179 -31.594 1.00 0.00 H new ATOM 0 HG SER B2327 14.011 10.639 -32.979 1.00 0.00 H new ATOM 795 N TYR B2328 13.391 10.327 -28.328 1.00 0.00 N ATOM 796 CA TYR B2328 12.952 9.972 -26.968 1.00 0.00 C ATOM 797 C TYR B2328 11.425 10.141 -26.835 1.00 0.00 C ATOM 798 O TYR B2328 10.678 9.219 -27.166 1.00 0.00 O ATOM 799 CB TYR B2328 13.780 10.802 -25.968 1.00 0.00 C ATOM 800 CG TYR B2328 13.569 10.448 -24.505 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.136 9.265 -23.981 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.833 11.302 -23.665 1.00 0.00 C ATOM 803 CE1 TYR B2328 13.958 8.938 -22.625 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.643 10.972 -22.306 1.00 0.00 C ATOM 805 CZ TYR B2328 13.204 9.790 -21.783 1.00 0.00 C ATOM 806 OH TYR B2328 13.026 9.458 -20.475 1.00 0.00 O ATOM 0 H TYR B2328 13.638 11.312 -28.428 1.00 0.00 H new ATOM 0 HA TYR B2328 13.135 8.921 -26.745 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.837 10.681 -26.206 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.541 11.856 -26.109 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.707 8.611 -24.623 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.411 12.214 -24.061 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.397 8.036 -22.226 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.068 11.625 -21.667 1.00 0.00 H new ATOM 0 HH TYR B2328 12.487 10.147 -20.033 1.00 0.00 H new ATOM 816 N GLU B2329 10.932 11.330 -26.467 1.00 0.00 N ATOM 817 CA GLU B2329 9.490 11.635 -26.446 1.00 0.00 C ATOM 818 C GLU B2329 8.833 11.557 -27.830 1.00 0.00 C ATOM 819 O GLU B2329 7.656 11.224 -27.930 1.00 0.00 O ATOM 820 CB GLU B2329 9.234 13.010 -25.818 1.00 0.00 C ATOM 821 CG GLU B2329 9.223 12.958 -24.284 1.00 0.00 C ATOM 822 CD GLU B2329 8.758 14.305 -23.690 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.551 15.282 -23.722 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.599 14.391 -23.217 1.00 0.00 O ATOM 0 H GLU B2329 11.520 12.111 -26.175 1.00 0.00 H new ATOM 0 HA GLU B2329 9.027 10.862 -25.833 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.003 13.707 -26.150 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.279 13.397 -26.173 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.561 12.160 -23.948 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.221 12.720 -23.917 1.00 0.00 H new ATOM 831 N ASP B2330 9.592 11.777 -28.906 1.00 0.00 N ATOM 832 CA ASP B2330 9.112 11.597 -30.284 1.00 0.00 C ATOM 833 C ASP B2330 8.866 10.120 -30.674 1.00 0.00 C ATOM 834 O ASP B2330 8.301 9.852 -31.736 1.00 0.00 O ATOM 835 CB ASP B2330 10.085 12.286 -31.251 1.00 0.00 C ATOM 836 CG ASP B2330 9.430 12.624 -32.603 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.478 13.459 -32.576 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.872 12.137 -33.662 1.00 0.00 O ATOM 0 H ASP B2330 10.562 12.087 -28.849 1.00 0.00 H new ATOM 0 HA ASP B2330 8.131 12.066 -30.352 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.460 13.201 -30.793 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.945 11.638 -31.419 1.00 0.00 H new ATOM 843 N CYS B2331 9.241 9.165 -29.810 1.00 0.00 N ATOM 844 CA CYS B2331 9.004 7.728 -29.986 1.00 0.00 C ATOM 845 C CYS B2331 8.013 7.159 -28.950 1.00 0.00 C ATOM 846 O CYS B2331 7.136 6.371 -29.314 1.00 0.00 O ATOM 847 CB CYS B2331 10.361 7.016 -29.922 1.00 0.00 C ATOM 848 SG CYS B2331 10.184 5.254 -30.330 1.00 0.00 S ATOM 0 H CYS B2331 9.733 9.380 -28.943 1.00 0.00 H new ATOM 0 HA CYS B2331 8.535 7.558 -30.955 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.057 7.487 -30.616 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.786 7.122 -28.924 1.00 0.00 H new ATOM 0 HG CYS B2331 11.347 4.676 -30.270 1.00 0.00 H new ATOM 854 N ILE B2332 8.092 7.582 -27.678 1.00 0.00 N ATOM 855 CA ILE B2332 7.206 7.082 -26.602 1.00 0.00 C ATOM 856 C ILE B2332 5.798 7.731 -26.570 1.00 0.00 C ATOM 857 O ILE B2332 5.002 7.424 -25.676 1.00 0.00 O ATOM 858 CB ILE B2332 7.894 7.116 -25.215 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.203 8.540 -24.710 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.169 6.252 -25.231 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.356 8.626 -23.186 1.00 0.00 C ATOM 0 H ILE B2332 8.768 8.278 -27.362 1.00 0.00 H new ATOM 0 HA ILE B2332 7.025 6.038 -26.857 1.00 0.00 H new ATOM 0 HB ILE B2332 7.179 6.699 -24.506 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.121 8.893 -25.180 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.404 9.211 -25.026 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.643 6.285 -24.250 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.908 5.222 -25.474 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.860 6.637 -25.981 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.572 9.655 -22.900 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.431 8.303 -22.709 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.174 7.981 -22.865 1.00 0.00 H new