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 130:sc= 0.413 USER MOD Single : A 532 THR OG1 : rot -58:sc= 0.618 USER MOD Single : A 542 HIS : no HD1:sc= 0.0695 K(o=0.069,f=-0.58) USER MOD Single : A 543 ASN : amide:sc= 1.18 K(o=1.2,f=-0.018) USER MOD Single : A 544 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 547 THR OG1 : rot -160:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : B2327 SER OG : rot 18:sc= 0.618 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 24.095 17.199 -14.264 1.00 0.00 N ATOM 117 CA LEU A 523 23.458 17.214 -15.591 1.00 0.00 C ATOM 118 C LEU A 523 23.064 18.647 -16.052 1.00 0.00 C ATOM 119 O LEU A 523 22.842 19.520 -15.204 1.00 0.00 O ATOM 120 CB LEU A 523 22.290 16.200 -15.618 1.00 0.00 C ATOM 121 CG LEU A 523 20.923 16.681 -15.071 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.831 16.493 -16.126 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.506 15.901 -13.824 1.00 0.00 C ATOM 0 HA LEU A 523 24.186 16.891 -16.335 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.147 15.877 -16.649 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.592 15.321 -15.048 1.00 0.00 H new ATOM 0 HG LEU A 523 21.039 17.735 -14.817 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.876 16.836 -15.727 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.081 17.072 -17.015 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.757 15.438 -16.389 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.542 16.268 -13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.424 14.842 -14.068 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.254 16.036 -13.043 1.00 0.00 H new ATOM 135 N PRO A 524 22.955 18.914 -17.371 1.00 0.00 N ATOM 136 CA PRO A 524 22.551 20.221 -17.907 1.00 0.00 C ATOM 137 C PRO A 524 21.069 20.575 -17.626 1.00 0.00 C ATOM 138 O PRO A 524 20.239 19.679 -17.433 1.00 0.00 O ATOM 139 CB PRO A 524 22.857 20.158 -19.410 1.00 0.00 C ATOM 140 CG PRO A 524 22.811 18.668 -19.732 1.00 0.00 C ATOM 141 CD PRO A 524 23.322 18.014 -18.454 1.00 0.00 C ATOM 0 HA PRO A 524 23.101 21.022 -17.413 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.122 20.715 -19.991 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.833 20.586 -19.637 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.800 18.340 -19.974 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.440 18.422 -20.588 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.874 17.030 -18.313 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.402 17.870 -18.494 1.00 0.00 H new ATOM 149 N PRO A 525 20.704 21.874 -17.614 1.00 0.00 N ATOM 150 CA PRO A 525 19.395 22.355 -17.157 1.00 0.00 C ATOM 151 C PRO A 525 18.252 22.016 -18.130 1.00 0.00 C ATOM 152 O PRO A 525 18.179 22.557 -19.234 1.00 0.00 O ATOM 153 CB PRO A 525 19.563 23.871 -16.981 1.00 0.00 C ATOM 154 CG PRO A 525 20.665 24.232 -17.977 1.00 0.00 C ATOM 155 CD PRO A 525 21.570 23.003 -17.937 1.00 0.00 C ATOM 0 HA PRO A 525 19.105 21.863 -16.228 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.637 24.404 -17.198 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.847 24.127 -15.960 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.266 24.409 -18.976 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.197 25.136 -17.682 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.065 22.852 -18.896 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.354 23.120 -17.188 1.00 0.00 H new ATOM 163 N GLY A 526 17.330 21.141 -17.715 1.00 0.00 N ATOM 164 CA GLY A 526 16.140 20.767 -18.499 1.00 0.00 C ATOM 165 C GLY A 526 16.435 20.000 -19.800 1.00 0.00 C ATOM 166 O GLY A 526 15.612 20.012 -20.719 1.00 0.00 O ATOM 0 H GLY A 526 17.387 20.665 -16.815 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.489 20.156 -17.874 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.586 21.673 -18.746 1.00 0.00 H new ATOM 170 N TRP A 527 17.592 19.336 -19.876 1.00 0.00 N ATOM 171 CA TRP A 527 18.064 18.547 -21.022 1.00 0.00 C ATOM 172 C TRP A 527 18.215 17.062 -20.650 1.00 0.00 C ATOM 173 O TRP A 527 18.362 16.698 -19.481 1.00 0.00 O ATOM 174 CB TRP A 527 19.416 19.109 -21.503 1.00 0.00 C ATOM 175 CG TRP A 527 19.379 20.262 -22.462 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.484 21.569 -22.130 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.293 20.234 -23.922 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.438 22.348 -23.271 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.322 21.577 -24.407 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.218 19.209 -24.891 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.256 21.886 -25.775 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.140 19.507 -26.267 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.159 20.842 -26.710 1.00 0.00 C ATOM 0 H TRP A 527 18.258 19.333 -19.104 1.00 0.00 H new ATOM 0 HA TRP A 527 17.327 18.619 -21.822 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.984 19.418 -20.626 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.971 18.297 -21.973 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.588 21.947 -21.124 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.484 23.367 -23.272 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.220 18.177 -24.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.280 22.914 -26.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.065 18.705 -26.986 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.099 21.064 -27.765 1.00 0.00 H new ATOM 194 N GLU A 528 18.244 16.208 -21.668 1.00 0.00 N ATOM 195 CA GLU A 528 18.543 14.775 -21.589 1.00 0.00 C ATOM 196 C GLU A 528 19.614 14.427 -22.640 1.00 0.00 C ATOM 197 O GLU A 528 19.728 15.088 -23.675 1.00 0.00 O ATOM 198 CB GLU A 528 17.223 13.993 -21.745 1.00 0.00 C ATOM 199 CG GLU A 528 17.338 12.470 -21.897 1.00 0.00 C ATOM 200 CD GLU A 528 17.868 11.800 -20.613 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.075 11.948 -20.311 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.079 11.132 -19.902 1.00 0.00 O ATOM 0 H GLU A 528 18.050 16.509 -22.623 1.00 0.00 H new ATOM 0 HA GLU A 528 18.963 14.493 -20.624 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.599 14.202 -20.876 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.697 14.383 -22.616 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.361 12.056 -22.145 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.004 12.238 -22.728 1.00 0.00 H new ATOM 209 N ILE A 529 20.444 13.422 -22.353 1.00 0.00 N ATOM 210 CA ILE A 529 21.667 13.098 -23.099 1.00 0.00 C ATOM 211 C ILE A 529 21.818 11.576 -23.137 1.00 0.00 C ATOM 212 O ILE A 529 21.878 10.927 -22.088 1.00 0.00 O ATOM 213 CB ILE A 529 22.942 13.742 -22.484 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.758 15.164 -21.906 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.030 13.780 -23.569 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.281 15.148 -20.445 1.00 0.00 C ATOM 0 H ILE A 529 20.280 12.789 -21.570 1.00 0.00 H new ATOM 0 HA ILE A 529 21.569 13.510 -24.103 1.00 0.00 H new ATOM 0 HB ILE A 529 23.213 13.120 -21.631 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.703 15.704 -21.971 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.037 15.710 -22.514 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.936 14.228 -23.161 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.246 12.765 -23.903 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.681 14.373 -24.414 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.168 16.172 -20.088 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.322 14.633 -20.381 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.014 14.628 -19.829 1.00 0.00 H new ATOM 228 N ARG A 530 21.859 10.999 -24.341 1.00 0.00 N ATOM 229 CA ARG A 530 21.819 9.542 -24.562 1.00 0.00 C ATOM 230 C ARG A 530 22.952 9.082 -25.481 1.00 0.00 C ATOM 231 O ARG A 530 23.518 9.875 -26.234 1.00 0.00 O ATOM 232 CB ARG A 530 20.434 9.122 -25.101 1.00 0.00 C ATOM 233 CG ARG A 530 19.255 9.468 -24.163 1.00 0.00 C ATOM 234 CD ARG A 530 18.384 8.254 -23.810 1.00 0.00 C ATOM 235 NE ARG A 530 19.083 7.329 -22.892 1.00 0.00 N ATOM 236 CZ ARG A 530 18.741 6.086 -22.602 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.707 5.503 -23.140 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.442 5.392 -21.752 1.00 0.00 N ATOM 0 H ARG A 530 21.922 11.535 -25.206 1.00 0.00 H new ATOM 0 HA ARG A 530 21.973 9.044 -23.605 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.270 9.605 -26.064 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.437 8.047 -25.280 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.647 9.905 -23.244 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.633 10.227 -24.637 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.457 8.593 -23.349 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.111 7.724 -24.723 1.00 0.00 H new ATOM 0 HE ARG A 530 19.920 7.689 -22.433 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.129 6.008 -23.811 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.476 4.542 -22.890 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.260 5.807 -21.306 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.173 4.433 -21.532 1.00 0.00 H new ATOM 252 N TYR A 531 23.261 7.789 -25.412 1.00 0.00 N ATOM 253 CA TYR A 531 24.443 7.159 -26.007 1.00 0.00 C ATOM 254 C TYR A 531 24.000 5.939 -26.823 1.00 0.00 C ATOM 255 O TYR A 531 23.719 4.869 -26.273 1.00 0.00 O ATOM 256 CB TYR A 531 25.444 6.777 -24.901 1.00 0.00 C ATOM 257 CG TYR A 531 25.964 7.941 -24.074 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.227 8.404 -22.964 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.191 8.548 -24.402 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.698 9.489 -22.201 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.678 9.618 -23.626 1.00 0.00 C ATOM 262 CZ TYR A 531 26.927 10.098 -22.531 1.00 0.00 C ATOM 263 OH TYR A 531 27.385 11.157 -21.810 1.00 0.00 O ATOM 0 H TYR A 531 22.670 7.120 -24.919 1.00 0.00 H new ATOM 0 HA TYR A 531 24.948 7.855 -26.678 1.00 0.00 H new ATOM 0 HB2 TYR A 531 24.967 6.060 -24.232 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.293 6.269 -25.360 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.297 7.924 -22.698 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.759 8.193 -25.249 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.120 9.854 -21.365 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.627 10.072 -23.869 1.00 0.00 H new ATOM 0 HH TYR A 531 28.314 10.994 -21.544 1.00 0.00 H new ATOM 273 N THR A 532 23.858 6.123 -28.135 1.00 0.00 N ATOM 274 CA THR A 532 23.387 5.076 -29.060 1.00 0.00 C ATOM 275 C THR A 532 24.392 3.924 -29.184 1.00 0.00 C ATOM 276 O THR A 532 25.601 4.111 -29.017 1.00 0.00 O ATOM 277 CB THR A 532 23.086 5.645 -30.456 1.00 0.00 C ATOM 278 OG1 THR A 532 24.239 6.199 -31.045 1.00 0.00 O ATOM 279 CG2 THR A 532 21.984 6.705 -30.435 1.00 0.00 C ATOM 0 H THR A 532 24.067 7.008 -28.596 1.00 0.00 H new ATOM 0 HA THR A 532 22.464 4.686 -28.631 1.00 0.00 H new ATOM 0 HB THR A 532 22.739 4.800 -31.050 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.597 6.903 -30.465 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.813 7.072 -31.447 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.064 6.266 -30.048 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.288 7.533 -29.795 1.00 0.00 H new ATOM 287 N ALA A 533 23.910 2.722 -29.523 1.00 0.00 N ATOM 288 CA ALA A 533 24.746 1.523 -29.680 1.00 0.00 C ATOM 289 C ALA A 533 25.791 1.618 -30.821 1.00 0.00 C ATOM 290 O ALA A 533 26.742 0.835 -30.854 1.00 0.00 O ATOM 291 CB ALA A 533 23.828 0.306 -29.846 1.00 0.00 C ATOM 0 H ALA A 533 22.920 2.552 -29.698 1.00 0.00 H new ATOM 0 HA ALA A 533 25.349 1.421 -28.778 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.433 -0.593 -29.964 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.195 0.205 -28.964 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.202 0.440 -30.728 1.00 0.00 H new ATOM 297 N ALA A 534 25.656 2.600 -31.723 1.00 0.00 N ATOM 298 CA ALA A 534 26.679 2.983 -32.702 1.00 0.00 C ATOM 299 C ALA A 534 27.960 3.582 -32.069 1.00 0.00 C ATOM 300 O ALA A 534 28.974 3.731 -32.758 1.00 0.00 O ATOM 301 CB ALA A 534 26.043 3.982 -33.681 1.00 0.00 C ATOM 0 H ALA A 534 24.809 3.164 -31.792 1.00 0.00 H new ATOM 0 HA ALA A 534 27.011 2.079 -33.213 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.782 4.285 -34.423 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.197 3.512 -34.183 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.698 4.859 -33.133 1.00 0.00 H new ATOM 307 N GLY A 535 27.927 3.937 -30.778 1.00 0.00 N ATOM 308 CA GLY A 535 29.023 4.599 -30.064 1.00 0.00 C ATOM 309 C GLY A 535 28.964 6.128 -30.164 1.00 0.00 C ATOM 310 O GLY A 535 30.009 6.779 -30.197 1.00 0.00 O ATOM 0 H GLY A 535 27.114 3.766 -30.186 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.994 4.307 -29.014 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.974 4.250 -30.466 1.00 0.00 H new ATOM 314 N GLU A 536 27.760 6.704 -30.258 1.00 0.00 N ATOM 315 CA GLU A 536 27.537 8.123 -30.573 1.00 0.00 C ATOM 316 C GLU A 536 26.555 8.775 -29.589 1.00 0.00 C ATOM 317 O GLU A 536 25.457 8.260 -29.342 1.00 0.00 O ATOM 318 CB GLU A 536 27.001 8.274 -32.009 1.00 0.00 C ATOM 319 CG GLU A 536 27.918 7.729 -33.115 1.00 0.00 C ATOM 320 CD GLU A 536 29.180 8.572 -33.394 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.511 9.511 -32.633 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.829 8.316 -34.438 1.00 0.00 O ATOM 0 H GLU A 536 26.893 6.186 -30.114 1.00 0.00 H new ATOM 0 HA GLU A 536 28.497 8.631 -30.484 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.039 7.766 -32.075 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.817 9.331 -32.201 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.227 6.719 -32.844 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.342 7.650 -34.037 1.00 0.00 H new ATOM 329 N ARG A 537 26.962 9.922 -29.031 1.00 0.00 N ATOM 330 CA ARG A 537 26.167 10.736 -28.102 1.00 0.00 C ATOM 331 C ARG A 537 25.255 11.713 -28.848 1.00 0.00 C ATOM 332 O ARG A 537 25.660 12.322 -29.839 1.00 0.00 O ATOM 333 CB ARG A 537 27.125 11.456 -27.133 1.00 0.00 C ATOM 334 CG ARG A 537 26.428 12.425 -26.160 1.00 0.00 C ATOM 335 CD ARG A 537 27.284 12.684 -24.909 1.00 0.00 C ATOM 336 NE ARG A 537 27.525 14.110 -24.623 1.00 0.00 N ATOM 337 CZ ARG A 537 28.133 14.574 -23.542 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.483 13.802 -22.551 1.00 0.00 N ATOM 339 NH2 ARG A 537 28.416 15.839 -23.425 1.00 0.00 N ATOM 0 H ARG A 537 27.881 10.322 -29.219 1.00 0.00 H new ATOM 0 HA ARG A 537 25.503 10.090 -27.527 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.670 10.709 -26.556 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.863 12.010 -27.714 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.228 13.369 -26.667 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.464 12.012 -25.863 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.794 12.231 -24.047 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.244 12.182 -25.030 1.00 0.00 H new ATOM 0 HE ARG A 537 27.199 14.790 -25.309 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.290 12.801 -22.591 1.00 0.00 H new ATOM 0 HH12 ARG A 537 28.950 14.199 -21.736 1.00 0.00 H new ATOM 0 HH21 ARG A 537 28.169 16.488 -24.172 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.885 16.181 -22.586 1.00 0.00 H new ATOM 353 N PHE A 538 24.050 11.903 -28.318 1.00 0.00 N ATOM 354 CA PHE A 538 23.057 12.874 -28.785 1.00 0.00 C ATOM 355 C PHE A 538 22.363 13.549 -27.596 1.00 0.00 C ATOM 356 O PHE A 538 22.296 12.993 -26.495 1.00 0.00 O ATOM 357 CB PHE A 538 22.010 12.171 -29.664 1.00 0.00 C ATOM 358 CG PHE A 538 22.524 11.608 -30.976 1.00 0.00 C ATOM 359 CD1 PHE A 538 23.013 10.289 -31.036 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.476 12.387 -32.149 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.444 9.748 -32.261 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.897 11.842 -33.377 1.00 0.00 C ATOM 363 CZ PHE A 538 23.383 10.524 -33.431 1.00 0.00 C ATOM 0 H PHE A 538 23.722 11.363 -27.517 1.00 0.00 H new ATOM 0 HA PHE A 538 23.569 13.637 -29.371 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.567 11.358 -29.089 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.211 12.879 -29.882 1.00 0.00 H new ATOM 0 HD1 PHE A 538 23.057 9.690 -30.138 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.116 13.404 -32.106 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.822 8.737 -32.302 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.847 12.436 -34.277 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.710 10.108 -34.372 1.00 0.00 H new ATOM 373 N PHE A 539 21.797 14.729 -27.841 1.00 0.00 N ATOM 374 CA PHE A 539 21.079 15.543 -26.864 1.00 0.00 C ATOM 375 C PHE A 539 19.594 15.650 -27.237 1.00 0.00 C ATOM 376 O PHE A 539 19.217 15.608 -28.413 1.00 0.00 O ATOM 377 CB PHE A 539 21.707 16.941 -26.795 1.00 0.00 C ATOM 378 CG PHE A 539 23.173 17.000 -26.403 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.174 16.873 -27.385 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.535 17.253 -25.066 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.529 17.013 -27.037 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.890 17.399 -24.717 1.00 0.00 C ATOM 383 CZ PHE A 539 25.885 17.293 -25.707 1.00 0.00 C ATOM 0 H PHE A 539 21.828 15.161 -28.764 1.00 0.00 H new ATOM 0 HA PHE A 539 21.154 15.066 -25.887 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.594 17.416 -27.770 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.138 17.537 -26.082 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.900 16.667 -28.409 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.771 17.335 -24.307 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.295 16.905 -27.791 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.166 17.592 -23.691 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.924 17.427 -25.444 1.00 0.00 H new ATOM 393 N VAL A 540 18.755 15.811 -26.216 1.00 0.00 N ATOM 394 CA VAL A 540 17.292 15.734 -26.265 1.00 0.00 C ATOM 395 C VAL A 540 16.706 16.844 -25.388 1.00 0.00 C ATOM 396 O VAL A 540 17.056 16.964 -24.213 1.00 0.00 O ATOM 397 CB VAL A 540 16.833 14.363 -25.723 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.307 14.228 -25.702 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.401 13.156 -26.486 1.00 0.00 C ATOM 0 H VAL A 540 19.096 16.011 -25.276 1.00 0.00 H new ATOM 0 HA VAL A 540 16.950 15.853 -27.293 1.00 0.00 H new ATOM 0 HB VAL A 540 17.233 14.345 -24.709 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.034 13.247 -25.313 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.882 15.003 -25.064 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.918 14.338 -26.714 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.028 12.235 -26.039 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.089 13.206 -27.529 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.490 13.171 -26.432 1.00 0.00 H new ATOM 409 N ASP A 541 15.776 17.624 -25.935 1.00 0.00 N ATOM 410 CA ASP A 541 15.089 18.710 -25.230 1.00 0.00 C ATOM 411 C ASP A 541 13.591 18.397 -25.096 1.00 0.00 C ATOM 412 O ASP A 541 12.859 18.326 -26.084 1.00 0.00 O ATOM 413 CB ASP A 541 15.325 20.032 -25.966 1.00 0.00 C ATOM 414 CG ASP A 541 14.417 21.137 -25.414 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.681 21.617 -24.289 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.401 21.472 -26.064 1.00 0.00 O ATOM 0 H ASP A 541 15.471 17.518 -26.902 1.00 0.00 H new ATOM 0 HA ASP A 541 15.495 18.804 -24.223 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.369 20.329 -25.863 1.00 0.00 H new ATOM 0 HB3 ASP A 541 15.135 19.898 -27.031 1.00 0.00 H new ATOM 421 N HIS A 542 13.126 18.207 -23.860 1.00 0.00 N ATOM 422 CA HIS A 542 11.716 17.913 -23.563 1.00 0.00 C ATOM 423 C HIS A 542 10.797 19.141 -23.691 1.00 0.00 C ATOM 424 O HIS A 542 9.586 18.991 -23.853 1.00 0.00 O ATOM 425 CB HIS A 542 11.607 17.318 -22.150 1.00 0.00 C ATOM 426 CG HIS A 542 12.485 16.112 -21.887 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.084 15.813 -20.660 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.815 15.134 -22.784 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.758 14.665 -20.845 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.618 14.239 -22.112 1.00 0.00 N ATOM 0 H HIS A 542 13.717 18.252 -23.030 1.00 0.00 H new ATOM 0 HA HIS A 542 11.374 17.195 -24.309 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.857 18.094 -21.426 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.569 17.037 -21.971 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.506 15.075 -23.817 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.331 14.157 -20.083 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.035 13.397 -22.508 1.00 0.00 H new ATOM 437 N ASN A 543 11.352 20.359 -23.640 1.00 0.00 N ATOM 438 CA ASN A 543 10.590 21.614 -23.710 1.00 0.00 C ATOM 439 C ASN A 543 9.934 21.845 -25.088 1.00 0.00 C ATOM 440 O ASN A 543 8.867 22.459 -25.168 1.00 0.00 O ATOM 441 CB ASN A 543 11.510 22.788 -23.330 1.00 0.00 C ATOM 442 CG ASN A 543 12.143 22.614 -21.958 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.508 22.784 -20.926 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.402 22.247 -21.901 1.00 0.00 N ATOM 0 H ASN A 543 12.358 20.503 -23.548 1.00 0.00 H new ATOM 0 HA ASN A 543 9.768 21.544 -22.998 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.296 22.886 -24.079 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.936 23.715 -23.347 1.00 0.00 H new ATOM 0 HD21 ASN A 543 13.851 22.104 -20.996 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.931 22.105 -22.761 1.00 0.00 H new ATOM 451 N THR A 544 10.543 21.326 -26.162 1.00 0.00 N ATOM 452 CA THR A 544 10.083 21.459 -27.562 1.00 0.00 C ATOM 453 C THR A 544 10.113 20.136 -28.351 1.00 0.00 C ATOM 454 O THR A 544 9.847 20.121 -29.555 1.00 0.00 O ATOM 455 CB THR A 544 10.900 22.530 -28.310 1.00 0.00 C ATOM 456 OG1 THR A 544 12.252 22.147 -28.402 1.00 0.00 O ATOM 457 CG2 THR A 544 10.846 23.911 -27.654 1.00 0.00 C ATOM 0 H THR A 544 11.402 20.781 -26.083 1.00 0.00 H new ATOM 0 HA THR A 544 9.039 21.766 -27.500 1.00 0.00 H new ATOM 0 HB THR A 544 10.442 22.605 -29.296 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.668 22.199 -27.516 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.444 24.613 -28.235 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.813 24.257 -27.618 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.243 23.848 -26.641 1.00 0.00 H new ATOM 465 N ARG A 545 10.420 19.013 -27.677 1.00 0.00 N ATOM 466 CA ARG A 545 10.561 17.635 -28.206 1.00 0.00 C ATOM 467 C ARG A 545 11.740 17.421 -29.182 1.00 0.00 C ATOM 468 O ARG A 545 11.885 16.327 -29.732 1.00 0.00 O ATOM 469 CB ARG A 545 9.219 17.163 -28.812 1.00 0.00 C ATOM 470 CG ARG A 545 8.960 15.652 -28.653 1.00 0.00 C ATOM 471 CD ARG A 545 8.117 15.077 -29.800 1.00 0.00 C ATOM 472 NE ARG A 545 6.836 15.788 -29.979 1.00 0.00 N ATOM 473 CZ ARG A 545 6.095 15.801 -31.074 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.373 15.085 -32.125 1.00 0.00 N ATOM 475 NH2 ARG A 545 5.027 16.545 -31.129 1.00 0.00 N ATOM 0 H ARG A 545 10.590 19.042 -26.672 1.00 0.00 H new ATOM 0 HA ARG A 545 10.818 17.011 -27.350 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.405 17.713 -28.340 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.201 17.415 -29.872 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.914 15.126 -28.608 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.451 15.471 -27.706 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.689 15.129 -30.727 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.919 14.023 -29.606 1.00 0.00 H new ATOM 0 HE ARG A 545 6.489 16.321 -29.181 1.00 0.00 H new ATOM 0 HH11 ARG A 545 7.194 14.480 -32.127 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.770 15.129 -32.946 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.762 17.118 -30.327 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.455 16.555 -31.974 1.00 0.00 H new ATOM 489 N ARG A 546 12.564 18.446 -29.436 1.00 0.00 N ATOM 490 CA ARG A 546 13.665 18.414 -30.421 1.00 0.00 C ATOM 491 C ARG A 546 14.897 17.628 -29.950 1.00 0.00 C ATOM 492 O ARG A 546 15.024 17.262 -28.780 1.00 0.00 O ATOM 493 CB ARG A 546 14.029 19.851 -30.841 1.00 0.00 C ATOM 494 CG ARG A 546 14.821 20.614 -29.766 1.00 0.00 C ATOM 495 CD ARG A 546 15.115 22.057 -30.174 1.00 0.00 C ATOM 496 NE ARG A 546 16.021 22.118 -31.339 1.00 0.00 N ATOM 497 CZ ARG A 546 15.713 22.492 -32.568 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.531 22.925 -32.905 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.612 22.424 -33.509 1.00 0.00 N ATOM 0 H ARG A 546 12.486 19.342 -28.955 1.00 0.00 H new ATOM 0 HA ARG A 546 13.301 17.866 -31.290 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.615 19.817 -31.759 1.00 0.00 H new ATOM 0 HB3 ARG A 546 13.114 20.399 -31.067 1.00 0.00 H new ATOM 0 HG2 ARG A 546 14.258 20.611 -28.833 1.00 0.00 H new ATOM 0 HG3 ARG A 546 15.760 20.095 -29.574 1.00 0.00 H new ATOM 0 HD2 ARG A 546 14.181 22.566 -30.411 1.00 0.00 H new ATOM 0 HD3 ARG A 546 15.564 22.589 -29.335 1.00 0.00 H new ATOM 0 HE ARG A 546 16.989 21.841 -31.177 1.00 0.00 H new ATOM 0 HH11 ARG A 546 13.792 22.987 -32.205 1.00 0.00 H new ATOM 0 HH12 ARG A 546 14.345 23.202 -33.869 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.549 22.083 -33.295 1.00 0.00 H new ATOM 0 HH22 ARG A 546 16.378 22.712 -34.459 1.00 0.00 H new ATOM 513 N THR A 547 15.842 17.435 -30.870 1.00 0.00 N ATOM 514 CA THR A 547 17.127 16.749 -30.648 1.00 0.00 C ATOM 515 C THR A 547 18.269 17.389 -31.449 1.00 0.00 C ATOM 516 O THR A 547 18.032 18.155 -32.388 1.00 0.00 O ATOM 517 CB THR A 547 17.035 15.262 -31.035 1.00 0.00 C ATOM 518 OG1 THR A 547 16.596 15.117 -32.370 1.00 0.00 O ATOM 519 CG2 THR A 547 16.084 14.466 -30.144 1.00 0.00 C ATOM 0 H THR A 547 15.735 17.763 -31.830 1.00 0.00 H new ATOM 0 HA THR A 547 17.343 16.845 -29.584 1.00 0.00 H new ATOM 0 HB THR A 547 18.043 14.867 -30.908 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.243 14.212 -32.502 1.00 0.00 H new ATOM 0 HG21 THR A 547 16.065 13.426 -30.470 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.426 14.516 -29.110 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.081 14.887 -30.215 1.00 0.00 H new ATOM 527 N THR A 548 19.518 17.083 -31.084 1.00 0.00 N ATOM 528 CA THR A 548 20.738 17.517 -31.798 1.00 0.00 C ATOM 529 C THR A 548 21.948 16.636 -31.438 1.00 0.00 C ATOM 530 O THR A 548 21.966 15.976 -30.397 1.00 0.00 O ATOM 531 CB THR A 548 21.027 19.014 -31.537 1.00 0.00 C ATOM 532 OG1 THR A 548 22.244 19.408 -32.141 1.00 0.00 O ATOM 533 CG2 THR A 548 21.098 19.383 -30.057 1.00 0.00 C ATOM 0 H THR A 548 19.721 16.512 -30.263 1.00 0.00 H new ATOM 0 HA THR A 548 20.560 17.394 -32.866 1.00 0.00 H new ATOM 0 HB THR A 548 20.180 19.541 -31.977 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.404 20.358 -31.964 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.304 20.449 -29.957 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.147 19.151 -29.578 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.894 18.813 -29.578 1.00 0.00 H new ATOM 541 N PHE A 549 22.962 16.599 -32.307 1.00 0.00 N ATOM 542 CA PHE A 549 24.233 15.890 -32.092 1.00 0.00 C ATOM 543 C PHE A 549 25.251 16.698 -31.253 1.00 0.00 C ATOM 544 O PHE A 549 26.221 16.136 -30.742 1.00 0.00 O ATOM 545 CB PHE A 549 24.809 15.544 -33.476 1.00 0.00 C ATOM 546 CG PHE A 549 26.120 14.776 -33.464 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.155 13.440 -33.021 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.311 15.399 -33.886 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.368 12.729 -33.006 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.526 14.688 -33.868 1.00 0.00 C ATOM 551 CZ PHE A 549 28.554 13.352 -33.432 1.00 0.00 C ATOM 0 H PHE A 549 22.923 17.075 -33.208 1.00 0.00 H new ATOM 0 HA PHE A 549 24.038 14.989 -31.510 1.00 0.00 H new ATOM 0 HB2 PHE A 549 24.070 14.958 -34.022 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.955 16.470 -34.032 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.246 12.959 -32.691 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.292 16.425 -34.224 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.389 11.704 -32.667 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.438 15.170 -34.190 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.485 12.805 -33.424 1.00 0.00 H new ATOM 561 N GLU A 550 25.041 18.007 -31.082 1.00 0.00 N ATOM 562 CA GLU A 550 25.991 18.937 -30.445 1.00 0.00 C ATOM 563 C GLU A 550 25.296 19.901 -29.457 1.00 0.00 C ATOM 564 O GLU A 550 24.154 19.675 -29.062 1.00 0.00 O ATOM 565 CB GLU A 550 26.814 19.652 -31.540 1.00 0.00 C ATOM 566 CG GLU A 550 26.011 20.608 -32.435 1.00 0.00 C ATOM 567 CD GLU A 550 26.906 21.203 -33.540 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.622 22.200 -33.278 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.898 20.682 -34.683 1.00 0.00 O ATOM 0 H GLU A 550 24.183 18.466 -31.390 1.00 0.00 H new ATOM 0 HA GLU A 550 26.687 18.373 -29.824 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.616 20.214 -31.062 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.285 18.898 -32.170 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.174 20.075 -32.886 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.589 21.411 -31.831 1.00 0.00 H new ATOM 756 N PRO B2325 18.951 7.810 -35.405 1.00 0.00 N ATOM 757 CA PRO B2325 18.205 9.025 -35.090 1.00 0.00 C ATOM 758 C PRO B2325 17.793 9.040 -33.603 1.00 0.00 C ATOM 759 O PRO B2325 17.120 8.105 -33.152 1.00 0.00 O ATOM 760 CB PRO B2325 16.992 9.011 -36.028 1.00 0.00 C ATOM 761 CG PRO B2325 16.745 7.526 -36.291 1.00 0.00 C ATOM 762 CD PRO B2325 18.145 6.916 -36.229 1.00 0.00 C ATOM 0 HA PRO B2325 18.799 9.927 -35.238 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.125 9.484 -35.567 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.196 9.552 -36.952 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.084 7.090 -35.542 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.278 7.362 -37.262 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.113 5.915 -35.798 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.571 6.820 -37.228 1.00 0.00 H new ATOM 770 N PRO B2326 18.150 10.076 -32.818 1.00 0.00 N ATOM 771 CA PRO B2326 17.659 10.223 -31.449 1.00 0.00 C ATOM 772 C PRO B2326 16.153 10.534 -31.457 1.00 0.00 C ATOM 773 O PRO B2326 15.675 11.364 -32.234 1.00 0.00 O ATOM 774 CB PRO B2326 18.497 11.350 -30.839 1.00 0.00 C ATOM 775 CG PRO B2326 18.836 12.219 -32.048 1.00 0.00 C ATOM 776 CD PRO B2326 19.004 11.203 -33.174 1.00 0.00 C ATOM 0 HA PRO B2326 17.763 9.313 -30.859 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.938 11.906 -30.086 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.394 10.968 -30.352 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.042 12.933 -32.266 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.747 12.795 -31.887 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.710 11.629 -34.133 1.00 0.00 H new ATOM 0 HD3 PRO B2326 20.044 10.892 -33.269 1.00 0.00 H new ATOM 784 N SER B2327 15.387 9.847 -30.608 1.00 0.00 N ATOM 785 CA SER B2327 13.922 9.966 -30.507 1.00 0.00 C ATOM 786 C SER B2327 13.452 9.467 -29.137 1.00 0.00 C ATOM 787 O SER B2327 13.105 8.297 -28.980 1.00 0.00 O ATOM 788 CB SER B2327 13.220 9.177 -31.628 1.00 0.00 C ATOM 789 OG SER B2327 13.385 9.805 -32.889 1.00 0.00 O ATOM 0 H SER B2327 15.775 9.171 -29.950 1.00 0.00 H new ATOM 0 HA SER B2327 13.657 11.017 -30.619 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.623 8.165 -31.669 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.158 9.088 -31.401 1.00 0.00 H new ATOM 0 HG SER B2327 14.128 10.443 -32.842 1.00 0.00 H new ATOM 795 N TYR B2328 13.497 10.339 -28.126 1.00 0.00 N ATOM 796 CA TYR B2328 13.023 10.034 -26.771 1.00 0.00 C ATOM 797 C TYR B2328 11.489 10.171 -26.699 1.00 0.00 C ATOM 798 O TYR B2328 10.772 9.219 -27.016 1.00 0.00 O ATOM 799 CB TYR B2328 13.780 10.926 -25.776 1.00 0.00 C ATOM 800 CG TYR B2328 13.568 10.587 -24.312 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.248 9.492 -23.743 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.717 11.374 -23.511 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.074 9.182 -22.380 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.536 11.066 -22.149 1.00 0.00 C ATOM 805 CZ TYR B2328 13.216 9.967 -21.578 1.00 0.00 C ATOM 806 OH TYR B2328 13.048 9.659 -20.263 1.00 0.00 O ATOM 0 H TYR B2328 13.866 11.285 -28.225 1.00 0.00 H new ATOM 0 HA TYR B2328 13.234 8.999 -26.501 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.846 10.864 -25.996 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.480 11.961 -25.940 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.904 8.889 -24.353 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.201 12.218 -23.944 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.598 8.342 -21.947 1.00 0.00 H new ATOM 0 HE2 TYR B2328 11.878 11.669 -21.541 1.00 0.00 H new ATOM 0 HH TYR B2328 12.427 10.297 -19.854 1.00 0.00 H new ATOM 816 N GLU B2329 10.959 11.365 -26.395 1.00 0.00 N ATOM 817 CA GLU B2329 9.508 11.618 -26.377 1.00 0.00 C ATOM 818 C GLU B2329 8.850 11.370 -27.739 1.00 0.00 C ATOM 819 O GLU B2329 7.715 10.906 -27.794 1.00 0.00 O ATOM 820 CB GLU B2329 9.180 13.039 -25.892 1.00 0.00 C ATOM 821 CG GLU B2329 9.395 13.218 -24.383 1.00 0.00 C ATOM 822 CD GLU B2329 8.339 14.169 -23.786 1.00 0.00 C ATOM 823 OE1 GLU B2329 8.494 15.406 -23.915 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.341 13.683 -23.197 1.00 0.00 O ATOM 0 H GLU B2329 11.521 12.181 -26.155 1.00 0.00 H new ATOM 0 HA GLU B2329 9.093 10.902 -25.668 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.802 13.754 -26.430 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.143 13.271 -26.137 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.340 12.249 -23.886 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.393 13.615 -24.198 1.00 0.00 H new ATOM 831 N ASP B2330 9.571 11.613 -28.839 1.00 0.00 N ATOM 832 CA ASP B2330 9.085 11.386 -30.206 1.00 0.00 C ATOM 833 C ASP B2330 8.871 9.896 -30.565 1.00 0.00 C ATOM 834 O ASP B2330 8.230 9.598 -31.575 1.00 0.00 O ATOM 835 CB ASP B2330 10.040 12.075 -31.194 1.00 0.00 C ATOM 836 CG ASP B2330 9.341 12.391 -32.527 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.386 13.205 -32.510 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.758 11.865 -33.587 1.00 0.00 O ATOM 0 H ASP B2330 10.523 11.978 -28.805 1.00 0.00 H new ATOM 0 HA ASP B2330 8.090 11.826 -30.275 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.418 12.997 -30.753 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.901 11.433 -31.377 1.00 0.00 H new ATOM 843 N CYS B2331 9.355 8.960 -29.734 1.00 0.00 N ATOM 844 CA CYS B2331 9.135 7.515 -29.885 1.00 0.00 C ATOM 845 C CYS B2331 8.186 6.935 -28.815 1.00 0.00 C ATOM 846 O CYS B2331 7.449 5.989 -29.103 1.00 0.00 O ATOM 847 CB CYS B2331 10.498 6.810 -29.856 1.00 0.00 C ATOM 848 SG CYS B2331 10.344 5.076 -30.379 1.00 0.00 S ATOM 0 H CYS B2331 9.923 9.193 -28.920 1.00 0.00 H new ATOM 0 HA CYS B2331 8.639 7.341 -30.840 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.195 7.331 -30.512 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.913 6.855 -28.849 1.00 0.00 H new ATOM 0 HG CYS B2331 11.513 4.507 -30.346 1.00 0.00 H new ATOM 854 N ILE B2332 8.153 7.504 -27.601 1.00 0.00 N ATOM 855 CA ILE B2332 7.306 7.019 -26.488 1.00 0.00 C ATOM 856 C ILE B2332 5.897 7.659 -26.439 1.00 0.00 C ATOM 857 O ILE B2332 5.220 7.583 -25.408 1.00 0.00 O ATOM 858 CB ILE B2332 8.041 7.092 -25.126 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.320 8.532 -24.646 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.344 6.273 -25.160 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.314 8.659 -23.122 1.00 0.00 C ATOM 0 H ILE B2332 8.715 8.319 -27.357 1.00 0.00 H new ATOM 0 HA ILE B2332 7.124 5.966 -26.700 1.00 0.00 H new ATOM 0 HB ILE B2332 7.358 6.655 -24.397 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.287 8.857 -25.030 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.569 9.202 -25.065 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.841 6.340 -24.192 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.113 5.230 -25.377 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.002 6.668 -25.934 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.516 9.693 -22.842 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.339 8.362 -22.736 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.083 8.012 -22.700 1.00 0.00 H new