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 -54:sc= 0.582 USER MOD Single : A 542 HIS : no HD1:sc= 0.0173 X(o=0.017,f=-0.28) USER MOD Single : A 543 ASN : amide:sc= 1.21 K(o=1.2,f=-0.013) 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 180:sc=-0.00796 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 24.404 17.463 -14.479 1.00 0.00 N ATOM 117 CA LEU A 523 23.697 17.457 -15.771 1.00 0.00 C ATOM 118 C LEU A 523 23.293 18.883 -16.247 1.00 0.00 C ATOM 119 O LEU A 523 23.129 19.781 -15.411 1.00 0.00 O ATOM 120 CB LEU A 523 22.522 16.450 -15.709 1.00 0.00 C ATOM 121 CG LEU A 523 21.154 16.976 -15.206 1.00 0.00 C ATOM 122 CD1 LEU A 523 20.075 16.754 -16.268 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.705 16.260 -13.932 1.00 0.00 C ATOM 0 HA LEU A 523 24.381 17.114 -16.548 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.378 16.040 -16.709 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.822 15.623 -15.065 1.00 0.00 H new ATOM 0 HG LEU A 523 21.283 18.038 -14.999 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.120 17.129 -15.900 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.347 17.286 -17.180 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.989 15.689 -16.482 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.742 16.657 -13.612 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.610 15.192 -14.129 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.443 16.419 -13.146 1.00 0.00 H new ATOM 135 N PRO A 524 23.113 19.115 -17.564 1.00 0.00 N ATOM 136 CA PRO A 524 22.687 20.408 -18.122 1.00 0.00 C ATOM 137 C PRO A 524 21.215 20.772 -17.802 1.00 0.00 C ATOM 138 O PRO A 524 20.401 19.888 -17.515 1.00 0.00 O ATOM 139 CB PRO A 524 22.939 20.297 -19.632 1.00 0.00 C ATOM 140 CG PRO A 524 22.862 18.800 -19.907 1.00 0.00 C ATOM 141 CD PRO A 524 23.416 18.177 -18.634 1.00 0.00 C ATOM 0 HA PRO A 524 23.252 21.223 -17.669 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.191 20.847 -20.203 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.912 20.704 -19.906 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.838 18.479 -20.098 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.452 18.521 -20.780 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.958 17.206 -18.443 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.490 18.012 -18.716 1.00 0.00 H new ATOM 149 N PRO A 525 20.837 22.067 -17.865 1.00 0.00 N ATOM 150 CA PRO A 525 19.534 22.565 -17.406 1.00 0.00 C ATOM 151 C PRO A 525 18.372 22.163 -18.331 1.00 0.00 C ATOM 152 O PRO A 525 18.275 22.633 -19.466 1.00 0.00 O ATOM 153 CB PRO A 525 19.693 24.091 -17.329 1.00 0.00 C ATOM 154 CG PRO A 525 20.764 24.397 -18.375 1.00 0.00 C ATOM 155 CD PRO A 525 21.682 23.181 -18.281 1.00 0.00 C ATOM 0 HA PRO A 525 19.271 22.127 -16.443 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.757 24.603 -17.553 1.00 0.00 H new ATOM 0 HB3 PRO A 525 20.002 24.412 -16.334 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.337 24.506 -19.372 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.294 25.323 -18.153 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.154 22.974 -19.241 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.483 23.352 -17.562 1.00 0.00 H new ATOM 163 N GLY A 526 17.456 21.319 -17.842 1.00 0.00 N ATOM 164 CA GLY A 526 16.248 20.902 -18.574 1.00 0.00 C ATOM 165 C GLY A 526 16.513 20.129 -19.878 1.00 0.00 C ATOM 166 O GLY A 526 15.678 20.144 -20.784 1.00 0.00 O ATOM 0 H GLY A 526 17.531 20.900 -16.915 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.640 20.280 -17.917 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.659 21.789 -18.808 1.00 0.00 H new ATOM 170 N TRP A 527 17.666 19.459 -19.966 1.00 0.00 N ATOM 171 CA TRP A 527 18.125 18.661 -21.109 1.00 0.00 C ATOM 172 C TRP A 527 18.269 17.182 -20.717 1.00 0.00 C ATOM 173 O TRP A 527 18.479 16.841 -19.551 1.00 0.00 O ATOM 174 CB TRP A 527 19.483 19.206 -21.595 1.00 0.00 C ATOM 175 CG TRP A 527 19.462 20.321 -22.598 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.609 21.636 -22.320 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.353 20.239 -24.056 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.564 22.371 -23.488 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.408 21.562 -24.592 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.234 19.181 -24.982 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.324 21.822 -25.969 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.130 19.430 -26.366 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.176 20.746 -26.861 1.00 0.00 C ATOM 0 H TRP A 527 18.341 19.458 -19.201 1.00 0.00 H new ATOM 0 HA TRP A 527 17.388 18.734 -21.909 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.040 19.548 -20.723 1.00 0.00 H new ATOM 0 HB3 TRP A 527 20.044 18.376 -22.026 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.742 22.050 -21.331 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.637 23.388 -23.528 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.222 18.162 -24.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.372 22.836 -26.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.014 18.604 -27.052 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.098 20.929 -27.923 1.00 0.00 H new ATOM 194 N GLU A 528 18.224 16.305 -21.716 1.00 0.00 N ATOM 195 CA GLU A 528 18.522 14.874 -21.620 1.00 0.00 C ATOM 196 C GLU A 528 19.601 14.516 -22.652 1.00 0.00 C ATOM 197 O GLU A 528 19.696 15.127 -23.719 1.00 0.00 O ATOM 198 CB GLU A 528 17.212 14.075 -21.796 1.00 0.00 C ATOM 199 CG GLU A 528 17.334 12.560 -22.055 1.00 0.00 C ATOM 200 CD GLU A 528 17.888 11.739 -20.867 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.626 12.288 -20.015 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.606 10.519 -20.800 1.00 0.00 O ATOM 0 H GLU A 528 17.966 16.584 -22.663 1.00 0.00 H new ATOM 0 HA GLU A 528 18.923 14.614 -20.641 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.609 14.216 -20.899 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.658 14.515 -22.625 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.351 12.171 -22.319 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.981 12.405 -22.918 1.00 0.00 H new ATOM 209 N ILE A 529 20.451 13.543 -22.322 1.00 0.00 N ATOM 210 CA ILE A 529 21.646 13.186 -23.096 1.00 0.00 C ATOM 211 C ILE A 529 21.784 11.666 -23.088 1.00 0.00 C ATOM 212 O ILE A 529 21.786 11.046 -22.019 1.00 0.00 O ATOM 213 CB ILE A 529 22.940 13.847 -22.545 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.770 15.287 -22.009 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.988 13.852 -23.667 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.340 15.316 -20.534 1.00 0.00 C ATOM 0 H ILE A 529 20.327 12.966 -21.490 1.00 0.00 H new ATOM 0 HA ILE A 529 21.521 13.561 -24.112 1.00 0.00 H new ATOM 0 HB ILE A 529 23.243 13.253 -21.683 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.710 15.827 -22.121 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.028 15.811 -22.611 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.907 14.312 -23.304 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.193 12.828 -23.978 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.609 14.420 -24.516 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.235 16.350 -20.206 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.386 14.801 -20.423 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.094 14.817 -19.925 1.00 0.00 H new ATOM 228 N ARG A 530 21.878 11.060 -24.274 1.00 0.00 N ATOM 229 CA ARG A 530 21.871 9.599 -24.460 1.00 0.00 C ATOM 230 C ARG A 530 23.017 9.153 -25.368 1.00 0.00 C ATOM 231 O ARG A 530 23.528 9.933 -26.172 1.00 0.00 O ATOM 232 CB ARG A 530 20.502 9.139 -25.008 1.00 0.00 C ATOM 233 CG ARG A 530 19.302 9.454 -24.084 1.00 0.00 C ATOM 234 CD ARG A 530 18.479 8.215 -23.706 1.00 0.00 C ATOM 235 NE ARG A 530 19.212 7.330 -22.777 1.00 0.00 N ATOM 236 CZ ARG A 530 18.819 6.149 -22.331 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.699 5.599 -22.710 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.553 5.486 -21.484 1.00 0.00 N ATOM 0 H ARG A 530 21.963 11.576 -25.150 1.00 0.00 H new ATOM 0 HA ARG A 530 22.026 9.125 -23.491 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.334 9.613 -25.975 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.537 8.064 -25.182 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.669 9.928 -23.174 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.652 10.175 -24.579 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.542 8.528 -23.246 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.222 7.661 -24.609 1.00 0.00 H new ATOM 0 HE ARG A 530 20.116 7.665 -22.445 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.092 6.082 -23.373 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.430 4.686 -22.344 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.438 5.877 -21.160 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.243 4.575 -21.144 1.00 0.00 H new ATOM 252 N TYR A 531 23.390 7.883 -25.242 1.00 0.00 N ATOM 253 CA TYR A 531 24.518 7.248 -25.927 1.00 0.00 C ATOM 254 C TYR A 531 24.000 6.026 -26.696 1.00 0.00 C ATOM 255 O TYR A 531 23.642 5.007 -26.099 1.00 0.00 O ATOM 256 CB TYR A 531 25.595 6.849 -24.902 1.00 0.00 C ATOM 257 CG TYR A 531 26.364 7.997 -24.267 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.817 8.712 -23.181 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.659 8.308 -24.726 1.00 0.00 C ATOM 260 CE1 TYR A 531 26.560 9.735 -22.558 1.00 0.00 C ATOM 261 CE2 TYR A 531 28.409 9.321 -24.098 1.00 0.00 C ATOM 262 CZ TYR A 531 27.863 10.036 -23.011 1.00 0.00 C ATOM 263 OH TYR A 531 28.597 11.018 -22.420 1.00 0.00 O ATOM 0 H TYR A 531 22.892 7.235 -24.631 1.00 0.00 H new ATOM 0 HA TYR A 531 24.974 7.943 -26.633 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.119 6.273 -24.109 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.308 6.186 -25.392 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.825 8.475 -22.826 1.00 0.00 H new ATOM 0 HD2 TYR A 531 28.078 7.768 -25.562 1.00 0.00 H new ATOM 0 HE1 TYR A 531 26.133 10.288 -21.735 1.00 0.00 H new ATOM 0 HE2 TYR A 531 29.404 9.551 -24.449 1.00 0.00 H new ATOM 0 HH TYR A 531 29.469 11.085 -22.862 1.00 0.00 H new ATOM 273 N THR A 532 23.901 6.147 -28.021 1.00 0.00 N ATOM 274 CA THR A 532 23.421 5.065 -28.901 1.00 0.00 C ATOM 275 C THR A 532 24.385 3.875 -28.898 1.00 0.00 C ATOM 276 O THR A 532 25.605 4.048 -28.819 1.00 0.00 O ATOM 277 CB THR A 532 23.174 5.544 -30.344 1.00 0.00 C ATOM 278 OG1 THR A 532 24.335 6.073 -30.954 1.00 0.00 O ATOM 279 CG2 THR A 532 22.072 6.603 -30.393 1.00 0.00 C ATOM 0 H THR A 532 24.151 7.000 -28.522 1.00 0.00 H new ATOM 0 HA THR A 532 22.463 4.742 -28.493 1.00 0.00 H new ATOM 0 HB THR A 532 22.868 4.657 -30.899 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.711 6.778 -30.386 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.920 6.922 -31.424 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.145 6.182 -30.003 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.364 7.461 -29.787 1.00 0.00 H new ATOM 287 N ALA A 533 23.852 2.653 -29.013 1.00 0.00 N ATOM 288 CA ALA A 533 24.640 1.412 -28.991 1.00 0.00 C ATOM 289 C ALA A 533 25.682 1.308 -30.129 1.00 0.00 C ATOM 290 O ALA A 533 26.680 0.596 -29.999 1.00 0.00 O ATOM 291 CB ALA A 533 23.666 0.228 -29.012 1.00 0.00 C ATOM 0 H ALA A 533 22.851 2.495 -29.125 1.00 0.00 H new ATOM 0 HA ALA A 533 25.234 1.406 -28.077 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.228 -0.706 -28.996 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.017 0.276 -28.138 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.060 0.271 -29.917 1.00 0.00 H new ATOM 297 N ALA A 534 25.479 2.049 -31.225 1.00 0.00 N ATOM 298 CA ALA A 534 26.437 2.210 -32.321 1.00 0.00 C ATOM 299 C ALA A 534 27.708 3.013 -31.943 1.00 0.00 C ATOM 300 O ALA A 534 28.702 2.955 -32.673 1.00 0.00 O ATOM 301 CB ALA A 534 25.691 2.868 -33.486 1.00 0.00 C ATOM 0 H ALA A 534 24.615 2.569 -31.376 1.00 0.00 H new ATOM 0 HA ALA A 534 26.815 1.225 -32.594 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.374 3.005 -34.324 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.862 2.231 -33.794 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.305 3.837 -33.170 1.00 0.00 H new ATOM 307 N GLY A 535 27.703 3.739 -30.815 1.00 0.00 N ATOM 308 CA GLY A 535 28.894 4.354 -30.210 1.00 0.00 C ATOM 309 C GLY A 535 28.924 5.888 -30.204 1.00 0.00 C ATOM 310 O GLY A 535 30.015 6.462 -30.169 1.00 0.00 O ATOM 0 H GLY A 535 26.850 3.919 -30.285 1.00 0.00 H new ATOM 0 HA2 GLY A 535 28.977 4.004 -29.181 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.775 3.994 -30.742 1.00 0.00 H new ATOM 314 N GLU A 536 27.773 6.569 -30.267 1.00 0.00 N ATOM 315 CA GLU A 536 27.695 8.036 -30.412 1.00 0.00 C ATOM 316 C GLU A 536 26.665 8.681 -29.471 1.00 0.00 C ATOM 317 O GLU A 536 25.578 8.139 -29.244 1.00 0.00 O ATOM 318 CB GLU A 536 27.360 8.406 -31.867 1.00 0.00 C ATOM 319 CG GLU A 536 28.482 8.047 -32.847 1.00 0.00 C ATOM 320 CD GLU A 536 28.099 8.448 -34.279 1.00 0.00 C ATOM 321 OE1 GLU A 536 27.326 7.698 -34.919 1.00 0.00 O ATOM 322 OE2 GLU A 536 28.575 9.501 -34.767 1.00 0.00 O ATOM 0 H GLU A 536 26.860 6.118 -30.219 1.00 0.00 H new ATOM 0 HA GLU A 536 28.674 8.427 -30.136 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.446 7.893 -32.166 1.00 0.00 H new ATOM 0 HB3 GLU A 536 27.160 9.476 -31.928 1.00 0.00 H new ATOM 0 HG2 GLU A 536 29.402 8.553 -32.556 1.00 0.00 H new ATOM 0 HG3 GLU A 536 28.680 6.976 -32.804 1.00 0.00 H new ATOM 329 N ARG A 537 27.013 9.864 -28.945 1.00 0.00 N ATOM 330 CA ARG A 537 26.180 10.686 -28.054 1.00 0.00 C ATOM 331 C ARG A 537 25.278 11.648 -28.838 1.00 0.00 C ATOM 332 O ARG A 537 25.696 12.233 -29.838 1.00 0.00 O ATOM 333 CB ARG A 537 27.098 11.422 -27.055 1.00 0.00 C ATOM 334 CG ARG A 537 26.411 12.549 -26.259 1.00 0.00 C ATOM 335 CD ARG A 537 27.122 12.945 -24.954 1.00 0.00 C ATOM 336 NE ARG A 537 28.597 12.950 -25.038 1.00 0.00 N ATOM 337 CZ ARG A 537 29.382 13.911 -25.487 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.909 15.015 -25.993 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.676 13.778 -25.433 1.00 0.00 N ATOM 0 H ARG A 537 27.919 10.292 -29.136 1.00 0.00 H new ATOM 0 HA ARG A 537 25.501 10.040 -27.498 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.504 10.695 -26.352 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.942 11.844 -27.601 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.335 13.430 -26.896 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.393 12.238 -26.022 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.784 13.938 -24.658 1.00 0.00 H new ATOM 0 HD3 ARG A 537 26.818 12.256 -24.166 1.00 0.00 H new ATOM 0 HE ARG A 537 29.066 12.107 -24.708 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.901 15.158 -26.052 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.547 15.736 -26.330 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.086 12.929 -25.043 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.280 14.523 -25.781 1.00 0.00 H new ATOM 353 N PHE A 538 24.067 11.849 -28.323 1.00 0.00 N ATOM 354 CA PHE A 538 23.047 12.764 -28.842 1.00 0.00 C ATOM 355 C PHE A 538 22.344 13.495 -27.689 1.00 0.00 C ATOM 356 O PHE A 538 22.257 12.978 -26.570 1.00 0.00 O ATOM 357 CB PHE A 538 22.015 11.969 -29.658 1.00 0.00 C ATOM 358 CG PHE A 538 22.562 11.304 -30.909 1.00 0.00 C ATOM 359 CD1 PHE A 538 23.180 10.042 -30.833 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.452 11.946 -32.156 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.690 9.433 -31.992 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.953 11.331 -33.319 1.00 0.00 C ATOM 363 CZ PHE A 538 23.578 10.075 -33.236 1.00 0.00 C ATOM 0 H PHE A 538 23.752 11.353 -27.489 1.00 0.00 H new ATOM 0 HA PHE A 538 23.529 13.504 -29.481 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.580 11.202 -29.017 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.206 12.640 -29.946 1.00 0.00 H new ATOM 0 HD1 PHE A 538 23.263 9.540 -29.880 1.00 0.00 H new ATOM 0 HD2 PHE A 538 21.981 12.916 -32.221 1.00 0.00 H new ATOM 0 HE1 PHE A 538 24.170 8.468 -31.926 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.857 11.824 -34.275 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.971 9.605 -34.126 1.00 0.00 H new ATOM 373 N PHE A 539 21.801 14.679 -27.975 1.00 0.00 N ATOM 374 CA PHE A 539 21.111 15.530 -27.004 1.00 0.00 C ATOM 375 C PHE A 539 19.621 15.657 -27.351 1.00 0.00 C ATOM 376 O PHE A 539 19.231 15.676 -28.523 1.00 0.00 O ATOM 377 CB PHE A 539 21.781 16.910 -26.961 1.00 0.00 C ATOM 378 CG PHE A 539 23.205 16.937 -26.432 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.289 16.664 -27.288 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.450 17.295 -25.092 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.610 16.754 -26.811 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.769 17.383 -24.613 1.00 0.00 C ATOM 383 CZ PHE A 539 25.850 17.116 -25.472 1.00 0.00 C ATOM 0 H PHE A 539 21.829 15.083 -28.911 1.00 0.00 H new ATOM 0 HA PHE A 539 21.183 15.071 -26.018 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.780 17.325 -27.969 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.171 17.570 -26.344 1.00 0.00 H new ATOM 0 HD1 PHE A 539 24.106 16.384 -28.315 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.622 17.503 -24.430 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.439 16.546 -27.472 1.00 0.00 H new ATOM 0 HE2 PHE A 539 24.952 17.656 -23.584 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.863 17.189 -25.105 1.00 0.00 H new ATOM 393 N VAL A 540 18.794 15.758 -26.311 1.00 0.00 N ATOM 394 CA VAL A 540 17.329 15.675 -26.338 1.00 0.00 C ATOM 395 C VAL A 540 16.742 16.787 -25.467 1.00 0.00 C ATOM 396 O VAL A 540 17.084 16.917 -24.291 1.00 0.00 O ATOM 397 CB VAL A 540 16.871 14.305 -25.785 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.345 14.173 -25.742 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.417 13.094 -26.559 1.00 0.00 C ATOM 0 H VAL A 540 19.149 15.909 -25.367 1.00 0.00 H new ATOM 0 HA VAL A 540 16.983 15.786 -27.366 1.00 0.00 H new ATOM 0 HB VAL A 540 17.288 14.291 -24.778 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.076 13.194 -25.346 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.931 14.950 -25.100 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.942 14.281 -26.749 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.047 12.175 -26.105 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.085 13.145 -27.596 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.506 13.102 -26.526 1.00 0.00 H new ATOM 409 N ASP A 541 15.811 17.556 -26.022 1.00 0.00 N ATOM 410 CA ASP A 541 15.111 18.638 -25.330 1.00 0.00 C ATOM 411 C ASP A 541 13.614 18.313 -25.227 1.00 0.00 C ATOM 412 O ASP A 541 12.918 18.157 -26.231 1.00 0.00 O ATOM 413 CB ASP A 541 15.359 19.950 -26.079 1.00 0.00 C ATOM 414 CG ASP A 541 14.485 21.077 -25.521 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.890 21.715 -24.524 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.362 21.277 -26.033 1.00 0.00 O ATOM 0 H ASP A 541 15.513 17.443 -26.991 1.00 0.00 H new ATOM 0 HA ASP A 541 15.491 18.745 -24.314 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.410 20.226 -25.997 1.00 0.00 H new ATOM 0 HB3 ASP A 541 15.147 19.813 -27.139 1.00 0.00 H new ATOM 421 N HIS A 542 13.107 18.197 -23.997 1.00 0.00 N ATOM 422 CA HIS A 542 11.690 17.904 -23.736 1.00 0.00 C ATOM 423 C HIS A 542 10.779 19.135 -23.894 1.00 0.00 C ATOM 424 O HIS A 542 9.563 18.987 -24.025 1.00 0.00 O ATOM 425 CB HIS A 542 11.541 17.319 -22.321 1.00 0.00 C ATOM 426 CG HIS A 542 12.448 16.148 -22.002 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.003 15.891 -20.745 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.858 15.175 -22.869 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.736 14.773 -20.883 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.671 14.325 -22.149 1.00 0.00 N ATOM 0 H HIS A 542 13.666 18.303 -23.151 1.00 0.00 H new ATOM 0 HA HIS A 542 11.368 17.180 -24.485 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.731 18.111 -21.597 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.507 17.003 -22.184 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.597 15.088 -23.913 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.297 14.302 -20.090 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.143 13.498 -22.515 1.00 0.00 H new ATOM 437 N ASN A 543 11.347 20.346 -23.885 1.00 0.00 N ATOM 438 CA ASN A 543 10.613 21.618 -23.909 1.00 0.00 C ATOM 439 C ASN A 543 9.921 21.894 -25.262 1.00 0.00 C ATOM 440 O ASN A 543 8.832 22.473 -25.279 1.00 0.00 O ATOM 441 CB ASN A 543 11.565 22.760 -23.508 1.00 0.00 C ATOM 442 CG ASN A 543 12.236 22.507 -22.166 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.621 22.588 -21.111 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.503 22.161 -22.160 1.00 0.00 N ATOM 0 H ASN A 543 12.359 20.473 -23.860 1.00 0.00 H new ATOM 0 HA ASN A 543 9.802 21.552 -23.184 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.328 22.881 -24.277 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.008 23.696 -23.463 1.00 0.00 H new ATOM 0 HD21 ASN A 543 13.973 21.960 -21.277 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.017 22.093 -23.038 1.00 0.00 H new ATOM 451 N THR A 544 10.498 21.431 -26.379 1.00 0.00 N ATOM 452 CA THR A 544 9.889 21.473 -27.732 1.00 0.00 C ATOM 453 C THR A 544 9.954 20.126 -28.476 1.00 0.00 C ATOM 454 O THR A 544 9.606 20.044 -29.657 1.00 0.00 O ATOM 455 CB THR A 544 10.491 22.586 -28.611 1.00 0.00 C ATOM 456 OG1 THR A 544 11.812 22.273 -28.991 1.00 0.00 O ATOM 457 CG2 THR A 544 10.526 23.958 -27.934 1.00 0.00 C ATOM 0 H THR A 544 11.425 21.005 -26.376 1.00 0.00 H new ATOM 0 HA THR A 544 8.837 21.698 -27.555 1.00 0.00 H new ATOM 0 HB THR A 544 9.829 22.642 -29.475 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.171 22.994 -29.549 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.963 24.689 -28.615 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.512 24.263 -27.677 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.129 23.901 -27.027 1.00 0.00 H new ATOM 465 N ARG A 545 10.382 19.056 -27.784 1.00 0.00 N ATOM 466 CA ARG A 545 10.580 17.673 -28.278 1.00 0.00 C ATOM 467 C ARG A 545 11.755 17.490 -29.261 1.00 0.00 C ATOM 468 O ARG A 545 11.949 16.386 -29.777 1.00 0.00 O ATOM 469 CB ARG A 545 9.254 17.089 -28.824 1.00 0.00 C ATOM 470 CG ARG A 545 8.976 15.688 -28.257 1.00 0.00 C ATOM 471 CD ARG A 545 7.850 14.920 -28.969 1.00 0.00 C ATOM 472 NE ARG A 545 6.640 15.735 -29.196 1.00 0.00 N ATOM 473 CZ ARG A 545 5.713 16.092 -28.325 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.668 15.664 -27.097 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.767 16.905 -28.694 1.00 0.00 N ATOM 0 H ARG A 545 10.617 19.135 -26.795 1.00 0.00 H new ATOM 0 HA ARG A 545 10.883 17.092 -27.407 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.430 17.755 -28.569 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.298 17.039 -29.912 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.892 15.099 -28.314 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.722 15.782 -27.201 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.219 14.555 -29.928 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.584 14.045 -28.375 1.00 0.00 H new ATOM 0 HE ARG A 545 6.502 16.066 -30.151 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.377 15.014 -26.757 1.00 0.00 H new ATOM 0 HH12 ARG A 545 4.924 15.979 -26.474 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.745 17.262 -29.649 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.047 17.186 -28.028 1.00 0.00 H new ATOM 489 N ARG A 546 12.522 18.551 -29.545 1.00 0.00 N ATOM 490 CA ARG A 546 13.653 18.556 -30.495 1.00 0.00 C ATOM 491 C ARG A 546 14.874 17.757 -30.015 1.00 0.00 C ATOM 492 O ARG A 546 15.001 17.398 -28.842 1.00 0.00 O ATOM 493 CB ARG A 546 14.033 20.009 -30.850 1.00 0.00 C ATOM 494 CG ARG A 546 14.713 20.764 -29.694 1.00 0.00 C ATOM 495 CD ARG A 546 15.111 22.192 -30.077 1.00 0.00 C ATOM 496 NE ARG A 546 16.249 22.213 -31.020 1.00 0.00 N ATOM 497 CZ ARG A 546 16.791 23.285 -31.570 1.00 0.00 C ATOM 498 NH1 ARG A 546 16.346 24.486 -31.331 1.00 0.00 N ATOM 499 NH2 ARG A 546 17.804 23.168 -32.380 1.00 0.00 N ATOM 0 H ARG A 546 12.371 19.460 -29.108 1.00 0.00 H new ATOM 0 HA ARG A 546 13.312 18.039 -31.392 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.701 20.002 -31.712 1.00 0.00 H new ATOM 0 HB3 ARG A 546 13.134 20.549 -31.148 1.00 0.00 H new ATOM 0 HG2 ARG A 546 14.038 20.796 -28.839 1.00 0.00 H new ATOM 0 HG3 ARG A 546 15.601 20.215 -29.379 1.00 0.00 H new ATOM 0 HD2 ARG A 546 14.257 22.698 -30.527 1.00 0.00 H new ATOM 0 HD3 ARG A 546 15.374 22.749 -29.178 1.00 0.00 H new ATOM 0 HE ARG A 546 16.656 21.312 -31.271 1.00 0.00 H new ATOM 0 HH11 ARG A 546 15.555 24.621 -30.702 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.789 25.291 -31.773 1.00 0.00 H new ATOM 0 HH21 ARG A 546 18.183 22.245 -32.593 1.00 0.00 H new ATOM 0 HH22 ARG A 546 18.218 23.999 -32.802 1.00 0.00 H new ATOM 513 N THR A 547 15.818 17.554 -30.930 1.00 0.00 N ATOM 514 CA THR A 547 17.090 16.838 -30.722 1.00 0.00 C ATOM 515 C THR A 547 18.226 17.455 -31.546 1.00 0.00 C ATOM 516 O THR A 547 17.982 18.226 -32.479 1.00 0.00 O ATOM 517 CB THR A 547 16.952 15.354 -31.101 1.00 0.00 C ATOM 518 OG1 THR A 547 16.294 15.203 -32.344 1.00 0.00 O ATOM 519 CG2 THR A 547 16.166 14.563 -30.059 1.00 0.00 C ATOM 0 H THR A 547 15.720 17.898 -31.885 1.00 0.00 H new ATOM 0 HA THR A 547 17.332 16.926 -29.663 1.00 0.00 H new ATOM 0 HB THR A 547 17.969 14.966 -31.159 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.078 14.258 -32.487 1.00 0.00 H new ATOM 0 HG21 THR A 547 16.095 13.521 -30.371 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.676 14.620 -29.098 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.164 14.982 -29.964 1.00 0.00 H new ATOM 527 N THR A 548 19.481 17.145 -31.197 1.00 0.00 N ATOM 528 CA THR A 548 20.683 17.685 -31.867 1.00 0.00 C ATOM 529 C THR A 548 21.939 16.832 -31.611 1.00 0.00 C ATOM 530 O THR A 548 22.014 16.070 -30.641 1.00 0.00 O ATOM 531 CB THR A 548 20.900 19.161 -31.464 1.00 0.00 C ATOM 532 OG1 THR A 548 22.058 19.695 -32.072 1.00 0.00 O ATOM 533 CG2 THR A 548 21.023 19.380 -29.958 1.00 0.00 C ATOM 0 H THR A 548 19.699 16.505 -30.433 1.00 0.00 H new ATOM 0 HA THR A 548 20.508 17.641 -32.942 1.00 0.00 H new ATOM 0 HB THR A 548 20.003 19.673 -31.812 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.169 20.630 -31.800 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.173 20.440 -29.756 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.111 19.042 -29.466 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.872 18.814 -29.576 1.00 0.00 H new ATOM 541 N PHE A 549 22.924 16.938 -32.513 1.00 0.00 N ATOM 542 CA PHE A 549 24.203 16.209 -32.484 1.00 0.00 C ATOM 543 C PHE A 549 25.284 16.902 -31.629 1.00 0.00 C ATOM 544 O PHE A 549 26.287 16.283 -31.271 1.00 0.00 O ATOM 545 CB PHE A 549 24.744 16.079 -33.921 1.00 0.00 C ATOM 546 CG PHE A 549 23.744 15.701 -35.004 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.797 14.684 -34.785 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.762 16.372 -36.243 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.871 14.342 -35.785 1.00 0.00 C ATOM 550 CE2 PHE A 549 22.838 16.030 -37.248 1.00 0.00 C ATOM 551 CZ PHE A 549 21.892 15.015 -37.019 1.00 0.00 C ATOM 0 H PHE A 549 22.850 17.560 -33.318 1.00 0.00 H new ATOM 0 HA PHE A 549 23.996 15.238 -32.035 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.201 17.029 -34.198 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.538 15.332 -33.918 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.782 14.161 -33.840 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.488 17.152 -36.422 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.144 13.563 -35.606 1.00 0.00 H new ATOM 0 HE2 PHE A 549 22.855 16.547 -38.196 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.183 14.753 -37.790 1.00 0.00 H new ATOM 561 N GLU A 550 25.093 18.185 -31.318 1.00 0.00 N ATOM 562 CA GLU A 550 26.044 19.061 -30.616 1.00 0.00 C ATOM 563 C GLU A 550 25.378 19.720 -29.390 1.00 0.00 C ATOM 564 O GLU A 550 24.289 19.317 -28.984 1.00 0.00 O ATOM 565 CB GLU A 550 26.646 20.071 -31.620 1.00 0.00 C ATOM 566 CG GLU A 550 25.649 21.101 -32.177 1.00 0.00 C ATOM 567 CD GLU A 550 26.292 21.948 -33.293 1.00 0.00 C ATOM 568 OE1 GLU A 550 26.991 22.944 -32.981 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.100 21.632 -34.493 1.00 0.00 O ATOM 0 H GLU A 550 24.229 18.670 -31.559 1.00 0.00 H new ATOM 0 HA GLU A 550 26.873 18.477 -30.216 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.462 20.604 -31.132 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.079 19.518 -32.454 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.770 20.587 -32.567 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.307 21.753 -31.373 1.00 0.00 H new ATOM 756 N PRO B2325 18.943 8.172 -35.595 1.00 0.00 N ATOM 757 CA PRO B2325 18.048 9.290 -35.305 1.00 0.00 C ATOM 758 C PRO B2325 17.652 9.287 -33.813 1.00 0.00 C ATOM 759 O PRO B2325 16.997 8.337 -33.366 1.00 0.00 O ATOM 760 CB PRO B2325 16.848 9.101 -36.238 1.00 0.00 C ATOM 761 CG PRO B2325 16.796 7.591 -36.475 1.00 0.00 C ATOM 762 CD PRO B2325 18.261 7.159 -36.392 1.00 0.00 C ATOM 0 HA PRO B2325 18.514 10.260 -35.478 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.927 9.465 -35.782 1.00 0.00 H new ATOM 0 HB3 PRO B2325 16.979 9.647 -37.172 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.187 7.089 -35.723 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.363 7.353 -37.447 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.351 6.176 -35.930 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.701 7.085 -37.386 1.00 0.00 H new ATOM 770 N PRO B2326 18.028 10.306 -33.013 1.00 0.00 N ATOM 771 CA PRO B2326 17.611 10.390 -31.616 1.00 0.00 C ATOM 772 C PRO B2326 16.110 10.709 -31.525 1.00 0.00 C ATOM 773 O PRO B2326 15.638 11.716 -32.059 1.00 0.00 O ATOM 774 CB PRO B2326 18.489 11.478 -30.994 1.00 0.00 C ATOM 775 CG PRO B2326 18.773 12.405 -32.174 1.00 0.00 C ATOM 776 CD PRO B2326 18.865 11.450 -33.358 1.00 0.00 C ATOM 0 HA PRO B2326 17.739 9.450 -31.080 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.975 11.999 -30.186 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.407 11.066 -30.575 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.978 13.138 -32.310 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.699 12.962 -32.034 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.516 11.928 -34.273 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.896 11.142 -33.532 1.00 0.00 H new ATOM 784 N SER B2327 15.371 9.849 -30.822 1.00 0.00 N ATOM 785 CA SER B2327 13.915 9.930 -30.641 1.00 0.00 C ATOM 786 C SER B2327 13.544 9.374 -29.264 1.00 0.00 C ATOM 787 O SER B2327 13.263 8.185 -29.115 1.00 0.00 O ATOM 788 CB SER B2327 13.163 9.165 -31.746 1.00 0.00 C ATOM 789 OG SER B2327 13.394 9.721 -33.031 1.00 0.00 O ATOM 0 H SER B2327 15.782 9.047 -30.345 1.00 0.00 H new ATOM 0 HA SER B2327 13.617 10.976 -30.708 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.476 8.121 -31.741 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.094 9.178 -31.532 1.00 0.00 H new ATOM 0 HG SER B2327 12.901 9.206 -33.704 1.00 0.00 H new ATOM 795 N TYR B2328 13.604 10.222 -28.235 1.00 0.00 N ATOM 796 CA TYR B2328 13.193 9.877 -26.869 1.00 0.00 C ATOM 797 C TYR B2328 11.667 10.033 -26.742 1.00 0.00 C ATOM 798 O TYR B2328 10.908 9.117 -27.061 1.00 0.00 O ATOM 799 CB TYR B2328 13.998 10.759 -25.898 1.00 0.00 C ATOM 800 CG TYR B2328 13.816 10.474 -24.416 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.495 9.387 -23.832 1.00 0.00 C ATOM 802 CD2 TYR B2328 13.023 11.318 -23.610 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.387 9.145 -22.449 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.907 11.074 -22.227 1.00 0.00 C ATOM 805 CZ TYR B2328 13.594 9.988 -21.641 1.00 0.00 C ATOM 806 OH TYR B2328 13.498 9.751 -20.303 1.00 0.00 O ATOM 0 H TYR B2328 13.943 11.180 -28.326 1.00 0.00 H new ATOM 0 HA TYR B2328 13.408 8.838 -26.621 1.00 0.00 H new ATOM 0 HB2 TYR B2328 15.056 10.654 -26.139 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.731 11.800 -26.081 1.00 0.00 H new ATOM 0 HD1 TYR B2328 15.100 8.737 -24.447 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.503 12.154 -24.055 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.912 8.312 -22.005 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.293 11.718 -21.615 1.00 0.00 H new ATOM 0 HH TYR B2328 12.915 10.423 -19.893 1.00 0.00 H new ATOM 816 N GLU B2329 11.205 11.236 -26.392 1.00 0.00 N ATOM 817 CA GLU B2329 9.790 11.604 -26.263 1.00 0.00 C ATOM 818 C GLU B2329 9.016 11.415 -27.581 1.00 0.00 C ATOM 819 O GLU B2329 7.855 11.016 -27.571 1.00 0.00 O ATOM 820 CB GLU B2329 9.716 13.065 -25.779 1.00 0.00 C ATOM 821 CG GLU B2329 8.949 13.252 -24.466 1.00 0.00 C ATOM 822 CD GLU B2329 7.430 13.074 -24.645 1.00 0.00 C ATOM 823 OE1 GLU B2329 6.851 13.730 -25.546 1.00 0.00 O ATOM 824 OE2 GLU B2329 6.809 12.313 -23.864 1.00 0.00 O ATOM 0 H GLU B2329 11.831 12.013 -26.182 1.00 0.00 H new ATOM 0 HA GLU B2329 9.314 10.943 -25.539 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.729 13.446 -25.653 1.00 0.00 H new ATOM 0 HB3 GLU B2329 9.242 13.669 -26.553 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.312 12.534 -23.730 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.151 14.246 -24.068 1.00 0.00 H new ATOM 831 N ASP B2330 9.675 11.648 -28.723 1.00 0.00 N ATOM 832 CA ASP B2330 9.105 11.469 -30.067 1.00 0.00 C ATOM 833 C ASP B2330 8.870 9.993 -30.464 1.00 0.00 C ATOM 834 O ASP B2330 8.121 9.724 -31.405 1.00 0.00 O ATOM 835 CB ASP B2330 10.015 12.179 -31.081 1.00 0.00 C ATOM 836 CG ASP B2330 9.332 12.364 -32.450 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.303 13.078 -32.516 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.844 11.835 -33.466 1.00 0.00 O ATOM 0 H ASP B2330 10.641 11.974 -28.740 1.00 0.00 H new ATOM 0 HA ASP B2330 8.110 11.914 -30.063 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.304 13.153 -30.687 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.931 11.603 -31.209 1.00 0.00 H new ATOM 843 N CYS B2331 9.464 9.030 -29.743 1.00 0.00 N ATOM 844 CA CYS B2331 9.234 7.591 -29.938 1.00 0.00 C ATOM 845 C CYS B2331 8.250 7.018 -28.902 1.00 0.00 C ATOM 846 O CYS B2331 7.370 6.232 -29.256 1.00 0.00 O ATOM 847 CB CYS B2331 10.586 6.867 -29.869 1.00 0.00 C ATOM 848 SG CYS B2331 10.412 5.106 -30.281 1.00 0.00 S ATOM 0 H CYS B2331 10.128 9.233 -28.996 1.00 0.00 H new ATOM 0 HA CYS B2331 8.777 7.436 -30.915 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.288 7.336 -30.558 1.00 0.00 H new ATOM 0 HB3 CYS B2331 11.005 6.969 -28.868 1.00 0.00 H new ATOM 0 HG CYS B2331 11.574 4.528 -30.214 1.00 0.00 H new ATOM 854 N ILE B2332 8.350 7.436 -27.632 1.00 0.00 N ATOM 855 CA ILE B2332 7.525 6.919 -26.521 1.00 0.00 C ATOM 856 C ILE B2332 6.119 7.565 -26.417 1.00 0.00 C ATOM 857 O ILE B2332 5.543 7.633 -25.326 1.00 0.00 O ATOM 858 CB ILE B2332 8.301 6.958 -25.181 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.625 8.388 -24.693 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.585 6.112 -25.264 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.430 8.547 -23.183 1.00 0.00 C ATOM 0 H ILE B2332 9.014 8.153 -27.339 1.00 0.00 H new ATOM 0 HA ILE B2332 7.323 5.874 -26.759 1.00 0.00 H new ATOM 0 HB ILE B2332 7.632 6.525 -24.437 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.655 8.633 -24.951 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.987 9.101 -25.216 1.00 0.00 H new ATOM 0 HG21 ILE B2332 10.112 6.156 -24.311 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.325 5.077 -25.488 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.228 6.503 -26.052 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.671 9.569 -22.891 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.393 8.330 -22.925 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.087 7.855 -22.656 1.00 0.00 H new