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= 0.247 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc=-0.00866 X(o=-0.0087,f=-0.05) USER MOD Single : A 543 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 544 THR OG1 : rot -46:sc= 0.0247 USER MOD Single : A 547 THR OG1 : rot -160:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0699 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 24.143 17.155 -14.411 1.00 0.00 N ATOM 117 CA LEU A 523 23.497 17.181 -15.734 1.00 0.00 C ATOM 118 C LEU A 523 23.092 18.615 -16.182 1.00 0.00 C ATOM 119 O LEU A 523 22.889 19.485 -15.326 1.00 0.00 O ATOM 120 CB LEU A 523 22.333 16.159 -15.751 1.00 0.00 C ATOM 121 CG LEU A 523 20.959 16.645 -15.229 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.892 16.491 -16.315 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.500 15.844 -14.010 1.00 0.00 C ATOM 0 HA LEU A 523 24.219 16.873 -16.490 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.202 15.813 -16.776 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.633 15.295 -15.159 1.00 0.00 H new ATOM 0 HG LEU A 523 21.082 17.692 -14.950 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.931 16.837 -15.933 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.171 17.084 -17.186 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.812 15.442 -16.601 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.532 16.216 -13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.411 14.791 -14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.229 15.953 -13.207 1.00 0.00 H new ATOM 135 N PRO A 524 22.957 18.887 -17.498 1.00 0.00 N ATOM 136 CA PRO A 524 22.549 20.197 -18.026 1.00 0.00 C ATOM 137 C PRO A 524 21.072 20.559 -17.730 1.00 0.00 C ATOM 138 O PRO A 524 20.242 19.670 -17.514 1.00 0.00 O ATOM 139 CB PRO A 524 22.837 20.135 -19.533 1.00 0.00 C ATOM 140 CG PRO A 524 22.780 18.645 -19.857 1.00 0.00 C ATOM 141 CD PRO A 524 23.305 17.988 -18.587 1.00 0.00 C ATOM 0 HA PRO A 524 23.107 20.994 -17.534 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.098 20.697 -20.104 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.813 20.558 -19.771 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.764 18.322 -20.086 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.396 18.398 -20.722 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.855 17.006 -18.441 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.384 17.840 -18.641 1.00 0.00 H new ATOM 149 N PRO A 525 20.709 21.860 -17.733 1.00 0.00 N ATOM 150 CA PRO A 525 19.400 22.348 -17.282 1.00 0.00 C ATOM 151 C PRO A 525 18.259 22.011 -18.260 1.00 0.00 C ATOM 152 O PRO A 525 18.213 22.525 -19.378 1.00 0.00 O ATOM 153 CB PRO A 525 19.573 23.864 -17.116 1.00 0.00 C ATOM 154 CG PRO A 525 20.675 24.215 -18.116 1.00 0.00 C ATOM 155 CD PRO A 525 21.576 22.983 -18.070 1.00 0.00 C ATOM 0 HA PRO A 525 19.106 21.861 -16.352 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.649 24.399 -17.335 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.859 24.125 -16.097 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.275 24.387 -19.115 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.211 25.119 -17.827 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.066 22.823 -19.030 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.364 23.104 -17.326 1.00 0.00 H new ATOM 163 N GLY A 526 17.307 21.174 -17.833 1.00 0.00 N ATOM 164 CA GLY A 526 16.114 20.818 -18.622 1.00 0.00 C ATOM 165 C GLY A 526 16.403 20.047 -19.922 1.00 0.00 C ATOM 166 O GLY A 526 15.612 20.110 -20.866 1.00 0.00 O ATOM 0 H GLY A 526 17.340 20.718 -16.921 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.451 20.217 -18.000 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.575 21.732 -18.871 1.00 0.00 H new ATOM 170 N TRP A 527 17.526 19.323 -19.966 1.00 0.00 N ATOM 171 CA TRP A 527 18.001 18.525 -21.104 1.00 0.00 C ATOM 172 C TRP A 527 18.141 17.042 -20.718 1.00 0.00 C ATOM 173 O TRP A 527 18.296 16.688 -19.547 1.00 0.00 O ATOM 174 CB TRP A 527 19.362 19.071 -21.577 1.00 0.00 C ATOM 175 CG TRP A 527 19.348 20.211 -22.552 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.506 21.517 -22.242 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.243 20.165 -24.011 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.470 22.282 -23.393 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.311 21.499 -24.516 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.120 19.131 -24.963 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.239 21.792 -25.887 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.032 19.412 -26.341 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.092 20.738 -26.805 1.00 0.00 C ATOM 0 H TRP A 527 18.161 19.274 -19.169 1.00 0.00 H new ATOM 0 HA TRP A 527 17.271 18.599 -21.910 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.922 19.387 -20.697 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.916 18.248 -22.029 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.640 21.905 -21.243 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.551 23.299 -23.409 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.093 18.104 -24.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.296 22.814 -26.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 18.918 18.602 -27.047 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.025 20.946 -27.863 1.00 0.00 H new ATOM 194 N GLU A 528 18.155 16.179 -21.729 1.00 0.00 N ATOM 195 CA GLU A 528 18.464 14.749 -21.644 1.00 0.00 C ATOM 196 C GLU A 528 19.531 14.407 -22.700 1.00 0.00 C ATOM 197 O GLU A 528 19.634 15.067 -23.737 1.00 0.00 O ATOM 198 CB GLU A 528 17.150 13.956 -21.800 1.00 0.00 C ATOM 199 CG GLU A 528 17.272 12.434 -21.963 1.00 0.00 C ATOM 200 CD GLU A 528 17.804 11.754 -20.686 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.997 11.949 -20.353 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.035 11.027 -20.013 1.00 0.00 O ATOM 0 H GLU A 528 17.940 16.471 -22.682 1.00 0.00 H new ATOM 0 HA GLU A 528 18.887 14.475 -20.677 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.528 14.155 -20.927 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.618 14.348 -22.667 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.297 12.018 -22.215 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.939 12.212 -22.796 1.00 0.00 H new ATOM 209 N ILE A 529 20.367 13.405 -22.421 1.00 0.00 N ATOM 210 CA ILE A 529 21.571 13.075 -23.196 1.00 0.00 C ATOM 211 C ILE A 529 21.739 11.555 -23.217 1.00 0.00 C ATOM 212 O ILE A 529 21.750 10.916 -22.161 1.00 0.00 O ATOM 213 CB ILE A 529 22.859 13.740 -22.633 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.683 15.155 -22.031 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.889 13.814 -23.771 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.251 15.120 -20.556 1.00 0.00 C ATOM 0 H ILE A 529 20.223 12.781 -21.627 1.00 0.00 H new ATOM 0 HA ILE A 529 21.434 13.468 -24.203 1.00 0.00 H new ATOM 0 HB ILE A 529 23.177 13.115 -21.799 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.622 15.702 -22.118 1.00 0.00 H new ATOM 0 HG13 ILE A 529 21.940 15.703 -22.611 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.805 14.277 -23.403 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.109 12.808 -24.128 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.485 14.409 -24.590 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.142 16.139 -20.184 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.298 14.598 -20.468 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.006 14.598 -19.968 1.00 0.00 H new ATOM 228 N ARG A 530 21.860 10.968 -24.413 1.00 0.00 N ATOM 229 CA ARG A 530 21.874 9.507 -24.612 1.00 0.00 C ATOM 230 C ARG A 530 22.996 9.055 -25.547 1.00 0.00 C ATOM 231 O ARG A 530 23.552 9.849 -26.307 1.00 0.00 O ATOM 232 CB ARG A 530 20.489 9.015 -25.083 1.00 0.00 C ATOM 233 CG ARG A 530 19.382 9.320 -24.056 1.00 0.00 C ATOM 234 CD ARG A 530 18.110 8.487 -24.260 1.00 0.00 C ATOM 235 NE ARG A 530 17.456 8.754 -25.558 1.00 0.00 N ATOM 236 CZ ARG A 530 17.389 7.949 -26.604 1.00 0.00 C ATOM 237 NH1 ARG A 530 18.026 6.816 -26.660 1.00 0.00 N ATOM 238 NH2 ARG A 530 16.662 8.268 -27.635 1.00 0.00 N ATOM 0 H ARG A 530 21.952 11.496 -25.281 1.00 0.00 H new ATOM 0 HA ARG A 530 22.087 9.043 -23.649 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.241 9.488 -26.033 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.529 7.941 -25.263 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.768 9.139 -23.053 1.00 0.00 H new ATOM 0 HG3 ARG A 530 19.127 10.378 -24.113 1.00 0.00 H new ATOM 0 HD2 ARG A 530 18.360 7.428 -24.195 1.00 0.00 H new ATOM 0 HD3 ARG A 530 17.408 8.699 -23.454 1.00 0.00 H new ATOM 0 HE ARG A 530 17.005 9.663 -25.658 1.00 0.00 H new ATOM 0 HH11 ARG A 530 18.606 6.518 -25.876 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.945 6.226 -27.488 1.00 0.00 H new ATOM 0 HH21 ARG A 530 16.139 9.144 -27.639 1.00 0.00 H new ATOM 0 HH22 ARG A 530 16.615 7.642 -28.439 1.00 0.00 H new ATOM 252 N TYR A 531 23.308 7.763 -25.471 1.00 0.00 N ATOM 253 CA TYR A 531 24.496 7.128 -26.046 1.00 0.00 C ATOM 254 C TYR A 531 24.067 5.880 -26.831 1.00 0.00 C ATOM 255 O TYR A 531 23.786 4.831 -26.243 1.00 0.00 O ATOM 256 CB TYR A 531 25.484 6.760 -24.923 1.00 0.00 C ATOM 257 CG TYR A 531 25.999 7.910 -24.076 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.233 8.395 -22.995 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.275 8.450 -24.327 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.732 9.428 -22.179 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.793 9.457 -23.491 1.00 0.00 C ATOM 262 CZ TYR A 531 27.020 9.949 -22.418 1.00 0.00 C ATOM 263 OH TYR A 531 27.514 10.931 -21.620 1.00 0.00 O ATOM 0 H TYR A 531 22.711 7.096 -24.983 1.00 0.00 H new ATOM 0 HA TYR A 531 24.997 7.817 -26.726 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.000 6.040 -24.264 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.340 6.256 -25.372 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.260 7.972 -22.793 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.857 8.091 -25.163 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.130 9.820 -21.373 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.782 9.853 -23.671 1.00 0.00 H new ATOM 0 HH TYR A 531 28.414 11.176 -21.921 1.00 0.00 H new ATOM 273 N THR A 532 23.937 5.996 -28.154 1.00 0.00 N ATOM 274 CA THR A 532 23.475 4.887 -29.010 1.00 0.00 C ATOM 275 C THR A 532 24.565 3.826 -29.196 1.00 0.00 C ATOM 276 O THR A 532 25.759 4.142 -29.188 1.00 0.00 O ATOM 277 CB THR A 532 23.001 5.389 -30.383 1.00 0.00 C ATOM 278 OG1 THR A 532 24.032 6.062 -31.067 1.00 0.00 O ATOM 279 CG2 THR A 532 21.816 6.350 -30.267 1.00 0.00 C ATOM 0 H THR A 532 24.146 6.853 -28.666 1.00 0.00 H new ATOM 0 HA THR A 532 22.629 4.431 -28.496 1.00 0.00 H new ATOM 0 HB THR A 532 22.697 4.499 -30.935 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.702 6.368 -31.937 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.515 6.679 -31.262 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.981 5.841 -29.785 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.106 7.215 -29.671 1.00 0.00 H new ATOM 287 N ALA A 533 24.170 2.571 -29.435 1.00 0.00 N ATOM 288 CA ALA A 533 25.082 1.427 -29.584 1.00 0.00 C ATOM 289 C ALA A 533 26.118 1.554 -30.729 1.00 0.00 C ATOM 290 O ALA A 533 27.134 0.856 -30.721 1.00 0.00 O ATOM 291 CB ALA A 533 24.232 0.159 -29.734 1.00 0.00 C ATOM 0 H ALA A 533 23.188 2.315 -29.533 1.00 0.00 H new ATOM 0 HA ALA A 533 25.699 1.386 -28.686 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.886 -0.706 -29.846 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.610 0.031 -28.848 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.596 0.250 -30.614 1.00 0.00 H new ATOM 297 N ALA A 534 25.901 2.466 -31.688 1.00 0.00 N ATOM 298 CA ALA A 534 26.874 2.841 -32.721 1.00 0.00 C ATOM 299 C ALA A 534 28.137 3.564 -32.187 1.00 0.00 C ATOM 300 O ALA A 534 29.106 3.726 -32.935 1.00 0.00 O ATOM 301 CB ALA A 534 26.151 3.709 -33.761 1.00 0.00 C ATOM 0 H ALA A 534 25.021 2.975 -31.767 1.00 0.00 H new ATOM 0 HA ALA A 534 27.253 1.919 -33.162 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.853 4.002 -34.542 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.333 3.141 -34.203 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.753 4.601 -33.277 1.00 0.00 H new ATOM 307 N GLY A 535 28.146 4.008 -30.922 1.00 0.00 N ATOM 308 CA GLY A 535 29.268 4.730 -30.307 1.00 0.00 C ATOM 309 C GLY A 535 29.182 6.251 -30.486 1.00 0.00 C ATOM 310 O GLY A 535 30.195 6.904 -30.738 1.00 0.00 O ATOM 0 H GLY A 535 27.360 3.873 -30.287 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.301 4.498 -29.243 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.202 4.372 -30.740 1.00 0.00 H new ATOM 314 N GLU A 536 27.975 6.815 -30.393 1.00 0.00 N ATOM 315 CA GLU A 536 27.678 8.234 -30.641 1.00 0.00 C ATOM 316 C GLU A 536 26.785 8.813 -29.531 1.00 0.00 C ATOM 317 O GLU A 536 25.920 8.115 -28.990 1.00 0.00 O ATOM 318 CB GLU A 536 26.965 8.393 -31.998 1.00 0.00 C ATOM 319 CG GLU A 536 27.774 7.953 -33.229 1.00 0.00 C ATOM 320 CD GLU A 536 29.035 8.794 -33.517 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.171 9.932 -33.006 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.880 8.331 -34.321 1.00 0.00 O ATOM 0 H GLU A 536 27.146 6.280 -30.134 1.00 0.00 H new ATOM 0 HA GLU A 536 28.622 8.778 -30.652 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.038 7.820 -31.971 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.689 9.440 -32.122 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.072 6.913 -33.096 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.124 7.989 -34.104 1.00 0.00 H new ATOM 329 N ARG A 537 26.972 10.102 -29.212 1.00 0.00 N ATOM 330 CA ARG A 537 26.194 10.841 -28.202 1.00 0.00 C ATOM 331 C ARG A 537 25.252 11.845 -28.868 1.00 0.00 C ATOM 332 O ARG A 537 25.626 12.518 -29.830 1.00 0.00 O ATOM 333 CB ARG A 537 27.148 11.501 -27.184 1.00 0.00 C ATOM 334 CG ARG A 537 26.405 12.280 -26.080 1.00 0.00 C ATOM 335 CD ARG A 537 27.264 12.523 -24.826 1.00 0.00 C ATOM 336 NE ARG A 537 27.560 13.948 -24.566 1.00 0.00 N ATOM 337 CZ ARG A 537 27.688 14.519 -23.376 1.00 0.00 C ATOM 338 NH1 ARG A 537 27.446 13.886 -22.263 1.00 0.00 N ATOM 339 NH2 ARG A 537 28.082 15.755 -23.269 1.00 0.00 N ATOM 0 H ARG A 537 27.687 10.676 -29.660 1.00 0.00 H new ATOM 0 HA ARG A 537 25.561 10.145 -27.651 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.768 10.732 -26.724 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.820 12.179 -27.710 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.077 13.240 -26.479 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.508 11.729 -25.797 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.750 12.105 -23.960 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.204 11.981 -24.931 1.00 0.00 H new ATOM 0 HE ARG A 537 27.677 14.550 -25.381 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.145 12.912 -22.285 1.00 0.00 H new ATOM 0 HH12 ARG A 537 27.558 14.365 -21.369 1.00 0.00 H new ATOM 0 HH21 ARG A 537 28.296 16.296 -24.107 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.176 16.182 -22.348 1.00 0.00 H new ATOM 353 N PHE A 538 24.044 11.957 -28.322 1.00 0.00 N ATOM 354 CA PHE A 538 22.970 12.824 -28.810 1.00 0.00 C ATOM 355 C PHE A 538 22.276 13.534 -27.647 1.00 0.00 C ATOM 356 O PHE A 538 22.197 12.998 -26.538 1.00 0.00 O ATOM 357 CB PHE A 538 21.936 11.982 -29.572 1.00 0.00 C ATOM 358 CG PHE A 538 22.455 11.312 -30.828 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.413 11.996 -32.056 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.963 10.001 -30.776 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.869 11.370 -33.231 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.420 9.379 -31.950 1.00 0.00 C ATOM 363 CZ PHE A 538 23.376 10.061 -33.176 1.00 0.00 C ATOM 0 H PHE A 538 23.774 11.426 -27.494 1.00 0.00 H new ATOM 0 HA PHE A 538 23.406 13.573 -29.472 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.550 11.214 -28.902 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.096 12.622 -29.841 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.030 13.005 -32.097 1.00 0.00 H new ATOM 0 HD2 PHE A 538 23.002 9.473 -29.835 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.829 11.895 -34.174 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.807 8.372 -31.909 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.731 9.580 -34.075 1.00 0.00 H new ATOM 373 N PHE A 539 21.719 14.711 -27.923 1.00 0.00 N ATOM 374 CA PHE A 539 21.014 15.544 -26.951 1.00 0.00 C ATOM 375 C PHE A 539 19.528 15.648 -27.311 1.00 0.00 C ATOM 376 O PHE A 539 19.149 15.638 -28.486 1.00 0.00 O ATOM 377 CB PHE A 539 21.658 16.936 -26.904 1.00 0.00 C ATOM 378 CG PHE A 539 23.116 16.976 -26.483 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.134 16.746 -27.428 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.456 17.289 -25.152 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.485 16.829 -27.046 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.807 17.385 -24.773 1.00 0.00 C ATOM 383 CZ PHE A 539 25.820 17.164 -25.723 1.00 0.00 C ATOM 0 H PHE A 539 21.746 15.123 -28.855 1.00 0.00 H new ATOM 0 HA PHE A 539 21.091 15.085 -25.965 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.572 17.389 -27.892 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.084 17.558 -26.217 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.877 16.505 -28.449 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.678 17.455 -24.422 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.264 16.636 -27.769 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.066 17.628 -23.753 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.857 17.252 -25.435 1.00 0.00 H new ATOM 393 N VAL A 540 18.691 15.770 -26.283 1.00 0.00 N ATOM 394 CA VAL A 540 17.227 15.698 -26.334 1.00 0.00 C ATOM 395 C VAL A 540 16.636 16.806 -25.462 1.00 0.00 C ATOM 396 O VAL A 540 16.922 16.896 -24.266 1.00 0.00 O ATOM 397 CB VAL A 540 16.748 14.326 -25.815 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.220 14.200 -25.850 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.335 13.127 -26.575 1.00 0.00 C ATOM 0 H VAL A 540 19.033 15.931 -25.336 1.00 0.00 H new ATOM 0 HA VAL A 540 16.897 15.824 -27.365 1.00 0.00 H new ATOM 0 HB VAL A 540 17.113 14.294 -24.789 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.927 13.219 -25.476 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.777 14.974 -25.224 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.869 14.317 -26.875 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.949 12.201 -26.148 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.052 13.188 -27.626 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.422 13.139 -26.491 1.00 0.00 H new ATOM 409 N ASP A 541 15.776 17.631 -26.052 1.00 0.00 N ATOM 410 CA ASP A 541 15.077 18.727 -25.386 1.00 0.00 C ATOM 411 C ASP A 541 13.596 18.366 -25.176 1.00 0.00 C ATOM 412 O ASP A 541 12.853 18.123 -26.129 1.00 0.00 O ATOM 413 CB ASP A 541 15.229 20.001 -26.226 1.00 0.00 C ATOM 414 CG ASP A 541 14.399 21.134 -25.620 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.871 21.796 -24.667 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.237 21.308 -26.042 1.00 0.00 O ATOM 0 H ASP A 541 15.538 17.553 -27.041 1.00 0.00 H new ATOM 0 HA ASP A 541 15.513 18.902 -24.403 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.278 20.293 -26.271 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.907 19.811 -27.250 1.00 0.00 H new ATOM 421 N HIS A 542 13.157 18.330 -23.915 1.00 0.00 N ATOM 422 CA HIS A 542 11.762 18.028 -23.551 1.00 0.00 C ATOM 423 C HIS A 542 10.806 19.224 -23.725 1.00 0.00 C ATOM 424 O HIS A 542 9.587 19.050 -23.732 1.00 0.00 O ATOM 425 CB HIS A 542 11.716 17.529 -22.097 1.00 0.00 C ATOM 426 CG HIS A 542 12.569 16.315 -21.796 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.153 16.040 -20.555 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.870 15.295 -22.656 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.791 14.866 -20.697 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.643 14.400 -21.948 1.00 0.00 N ATOM 0 H HIS A 542 13.759 18.510 -23.111 1.00 0.00 H new ATOM 0 HA HIS A 542 11.414 17.257 -24.238 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.029 18.342 -21.442 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.682 17.296 -21.844 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.562 15.208 -23.688 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.345 14.367 -19.915 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.036 13.532 -22.312 1.00 0.00 H new ATOM 437 N ASN A 543 11.337 20.443 -23.859 1.00 0.00 N ATOM 438 CA ASN A 543 10.560 21.687 -23.928 1.00 0.00 C ATOM 439 C ASN A 543 9.830 21.869 -25.279 1.00 0.00 C ATOM 440 O ASN A 543 8.722 22.411 -25.304 1.00 0.00 O ATOM 441 CB ASN A 543 11.486 22.876 -23.613 1.00 0.00 C ATOM 442 CG ASN A 543 12.210 22.709 -22.284 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.637 22.865 -21.214 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.477 22.363 -22.303 1.00 0.00 N ATOM 0 H ASN A 543 12.343 20.597 -23.924 1.00 0.00 H new ATOM 0 HA ASN A 543 9.769 21.636 -23.180 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.219 22.984 -24.412 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.900 23.795 -23.592 1.00 0.00 H new ATOM 0 HD21 ASN A 543 13.981 22.225 -21.427 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.957 22.232 -23.194 1.00 0.00 H new ATOM 451 N THR A 544 10.406 21.374 -26.382 1.00 0.00 N ATOM 452 CA THR A 544 9.823 21.405 -27.746 1.00 0.00 C ATOM 453 C THR A 544 9.925 20.061 -28.490 1.00 0.00 C ATOM 454 O THR A 544 9.630 19.985 -29.686 1.00 0.00 O ATOM 455 CB THR A 544 10.443 22.525 -28.607 1.00 0.00 C ATOM 456 OG1 THR A 544 11.811 22.274 -28.844 1.00 0.00 O ATOM 457 CG2 THR A 544 10.327 23.912 -27.972 1.00 0.00 C ATOM 0 H THR A 544 11.321 20.924 -26.358 1.00 0.00 H new ATOM 0 HA THR A 544 8.763 21.612 -27.596 1.00 0.00 H new ATOM 0 HB THR A 544 9.875 22.522 -29.537 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.247 22.018 -28.004 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.783 24.652 -28.629 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.275 24.157 -27.823 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.840 23.916 -27.010 1.00 0.00 H new ATOM 465 N ARG A 545 10.327 18.984 -27.791 1.00 0.00 N ATOM 466 CA ARG A 545 10.557 17.613 -28.308 1.00 0.00 C ATOM 467 C ARG A 545 11.716 17.498 -29.322 1.00 0.00 C ATOM 468 O ARG A 545 11.862 16.468 -29.985 1.00 0.00 O ATOM 469 CB ARG A 545 9.221 17.010 -28.812 1.00 0.00 C ATOM 470 CG ARG A 545 9.103 15.503 -28.535 1.00 0.00 C ATOM 471 CD ARG A 545 7.732 14.938 -28.937 1.00 0.00 C ATOM 472 NE ARG A 545 7.578 14.824 -30.400 1.00 0.00 N ATOM 473 CZ ARG A 545 6.459 14.848 -31.100 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.288 15.055 -30.567 1.00 0.00 N ATOM 475 NH2 ARG A 545 6.522 14.646 -32.380 1.00 0.00 N ATOM 0 H ARG A 545 10.512 19.046 -26.790 1.00 0.00 H new ATOM 0 HA ARG A 545 10.908 17.006 -27.474 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.391 17.528 -28.333 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.130 17.185 -29.884 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.885 14.974 -29.080 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.272 15.317 -27.474 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.599 13.956 -28.483 1.00 0.00 H new ATOM 0 HD3 ARG A 545 6.946 15.581 -28.541 1.00 0.00 H new ATOM 0 HE ARG A 545 8.440 14.713 -30.935 1.00 0.00 H new ATOM 0 HH11 ARG A 545 5.205 15.209 -29.562 1.00 0.00 H new ATOM 0 HH12 ARG A 545 4.454 15.063 -31.155 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.423 14.473 -32.825 1.00 0.00 H new ATOM 0 HH22 ARG A 545 5.670 14.660 -32.941 1.00 0.00 H new ATOM 489 N ARG A 546 12.531 18.552 -29.464 1.00 0.00 N ATOM 490 CA ARG A 546 13.688 18.641 -30.376 1.00 0.00 C ATOM 491 C ARG A 546 14.891 17.799 -29.934 1.00 0.00 C ATOM 492 O ARG A 546 14.988 17.355 -28.791 1.00 0.00 O ATOM 493 CB ARG A 546 14.088 20.125 -30.526 1.00 0.00 C ATOM 494 CG ARG A 546 13.256 20.875 -31.583 1.00 0.00 C ATOM 495 CD ARG A 546 13.481 20.382 -33.024 1.00 0.00 C ATOM 496 NE ARG A 546 14.903 20.448 -33.420 1.00 0.00 N ATOM 497 CZ ARG A 546 15.465 19.886 -34.477 1.00 0.00 C ATOM 498 NH1 ARG A 546 14.795 19.137 -35.308 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.736 20.047 -34.709 1.00 0.00 N ATOM 0 H ARG A 546 12.399 19.407 -28.923 1.00 0.00 H new ATOM 0 HA ARG A 546 13.380 18.224 -31.335 1.00 0.00 H new ATOM 0 HB2 ARG A 546 13.975 20.624 -29.563 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.143 20.185 -30.794 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.199 20.774 -31.337 1.00 0.00 H new ATOM 0 HG3 ARG A 546 13.495 21.937 -31.532 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.128 19.355 -33.114 1.00 0.00 H new ATOM 0 HD3 ARG A 546 12.886 20.985 -33.710 1.00 0.00 H new ATOM 0 HE ARG A 546 15.519 20.986 -32.811 1.00 0.00 H new ATOM 0 HH11 ARG A 546 13.801 18.967 -35.154 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.265 18.721 -36.112 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.303 20.609 -34.074 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.165 19.611 -35.526 1.00 0.00 H new ATOM 513 N THR A 547 15.836 17.620 -30.857 1.00 0.00 N ATOM 514 CA THR A 547 17.099 16.883 -30.663 1.00 0.00 C ATOM 515 C THR A 547 18.245 17.504 -31.472 1.00 0.00 C ATOM 516 O THR A 547 18.008 18.291 -32.393 1.00 0.00 O ATOM 517 CB THR A 547 16.956 15.406 -31.073 1.00 0.00 C ATOM 518 OG1 THR A 547 16.470 15.295 -32.394 1.00 0.00 O ATOM 519 CG2 THR A 547 16.019 14.621 -30.159 1.00 0.00 C ATOM 0 H THR A 547 15.745 17.997 -31.800 1.00 0.00 H new ATOM 0 HA THR A 547 17.331 16.946 -29.600 1.00 0.00 H new ATOM 0 HB THR A 547 17.957 14.982 -30.992 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.090 14.402 -32.529 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.960 13.587 -30.500 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.401 14.645 -29.139 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.026 15.069 -30.185 1.00 0.00 H new ATOM 527 N THR A 548 19.495 17.169 -31.134 1.00 0.00 N ATOM 528 CA THR A 548 20.702 17.645 -31.841 1.00 0.00 C ATOM 529 C THR A 548 21.938 16.774 -31.542 1.00 0.00 C ATOM 530 O THR A 548 21.968 16.009 -30.573 1.00 0.00 O ATOM 531 CB THR A 548 20.957 19.141 -31.546 1.00 0.00 C ATOM 532 OG1 THR A 548 22.154 19.587 -32.150 1.00 0.00 O ATOM 533 CG2 THR A 548 21.021 19.474 -30.057 1.00 0.00 C ATOM 0 H THR A 548 19.706 16.551 -30.351 1.00 0.00 H new ATOM 0 HA THR A 548 20.516 17.545 -32.910 1.00 0.00 H new ATOM 0 HB THR A 548 20.096 19.657 -31.970 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.288 20.536 -31.948 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.203 20.541 -29.930 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.076 19.208 -29.584 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.830 18.911 -29.593 1.00 0.00 H new ATOM 541 N PHE A 549 22.953 16.866 -32.406 1.00 0.00 N ATOM 542 CA PHE A 549 24.212 16.110 -32.352 1.00 0.00 C ATOM 543 C PHE A 549 25.261 16.726 -31.401 1.00 0.00 C ATOM 544 O PHE A 549 26.261 16.084 -31.075 1.00 0.00 O ATOM 545 CB PHE A 549 24.808 16.044 -33.773 1.00 0.00 C ATOM 546 CG PHE A 549 23.852 15.709 -34.912 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.858 14.725 -34.756 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.962 16.386 -36.144 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.977 14.423 -35.809 1.00 0.00 C ATOM 550 CE2 PHE A 549 23.083 16.084 -37.201 1.00 0.00 C ATOM 551 CZ PHE A 549 22.090 15.103 -37.034 1.00 0.00 C ATOM 0 H PHE A 549 22.919 17.501 -33.203 1.00 0.00 H new ATOM 0 HA PHE A 549 23.974 15.120 -31.963 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.270 17.007 -33.991 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.606 15.301 -33.771 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.771 14.197 -33.818 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.724 17.140 -36.277 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.214 13.670 -35.677 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.172 16.607 -38.142 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.415 14.872 -37.845 1.00 0.00 H new ATOM 561 N GLU A 550 25.060 17.976 -30.976 1.00 0.00 N ATOM 562 CA GLU A 550 26.009 18.786 -30.194 1.00 0.00 C ATOM 563 C GLU A 550 25.272 19.768 -29.255 1.00 0.00 C ATOM 564 O GLU A 550 24.069 19.637 -29.040 1.00 0.00 O ATOM 565 CB GLU A 550 26.997 19.486 -31.154 1.00 0.00 C ATOM 566 CG GLU A 550 26.367 20.527 -32.093 1.00 0.00 C ATOM 567 CD GLU A 550 27.414 21.073 -33.082 1.00 0.00 C ATOM 568 OE1 GLU A 550 28.165 22.013 -32.721 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.496 20.571 -34.230 1.00 0.00 O ATOM 0 H GLU A 550 24.194 18.477 -31.174 1.00 0.00 H new ATOM 0 HA GLU A 550 26.590 18.138 -29.538 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.770 19.975 -30.562 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.492 18.726 -31.759 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.541 20.075 -32.643 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.950 21.347 -31.508 1.00 0.00 H new ATOM 756 N PRO B2325 18.852 7.748 -35.329 1.00 0.00 N ATOM 757 CA PRO B2325 18.059 8.953 -35.099 1.00 0.00 C ATOM 758 C PRO B2325 17.643 9.064 -33.617 1.00 0.00 C ATOM 759 O PRO B2325 16.997 8.144 -33.099 1.00 0.00 O ATOM 760 CB PRO B2325 16.852 8.828 -36.034 1.00 0.00 C ATOM 761 CG PRO B2325 16.667 7.320 -36.200 1.00 0.00 C ATOM 762 CD PRO B2325 18.091 6.775 -36.103 1.00 0.00 C ATOM 0 HA PRO B2325 18.620 9.863 -35.309 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.965 9.294 -35.605 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.037 9.315 -36.991 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.025 6.906 -35.423 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.207 7.075 -37.157 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.101 5.799 -35.618 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.525 6.643 -37.094 1.00 0.00 H new ATOM 770 N PRO B2326 17.979 10.160 -32.908 1.00 0.00 N ATOM 771 CA PRO B2326 17.542 10.361 -31.529 1.00 0.00 C ATOM 772 C PRO B2326 16.032 10.658 -31.475 1.00 0.00 C ATOM 773 O PRO B2326 15.556 11.655 -32.019 1.00 0.00 O ATOM 774 CB PRO B2326 18.403 11.509 -30.994 1.00 0.00 C ATOM 775 CG PRO B2326 18.717 12.329 -32.244 1.00 0.00 C ATOM 776 CD PRO B2326 18.818 11.272 -33.342 1.00 0.00 C ATOM 0 HA PRO B2326 17.674 9.473 -30.911 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.868 12.099 -30.250 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.311 11.141 -30.516 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.932 13.055 -32.456 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.647 12.887 -32.136 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.476 11.669 -34.298 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.850 10.951 -33.481 1.00 0.00 H new ATOM 784 N SER B2327 15.288 9.788 -30.787 1.00 0.00 N ATOM 785 CA SER B2327 13.833 9.881 -30.581 1.00 0.00 C ATOM 786 C SER B2327 13.473 9.326 -29.199 1.00 0.00 C ATOM 787 O SER B2327 13.217 8.133 -29.048 1.00 0.00 O ATOM 788 CB SER B2327 13.063 9.121 -31.676 1.00 0.00 C ATOM 789 OG SER B2327 13.221 9.730 -32.948 1.00 0.00 O ATOM 0 H SER B2327 15.694 8.967 -30.339 1.00 0.00 H new ATOM 0 HA SER B2327 13.544 10.930 -30.639 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.415 8.090 -31.720 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.004 9.086 -31.419 1.00 0.00 H new ATOM 0 HG SER B2327 12.720 9.221 -33.619 1.00 0.00 H new ATOM 795 N TYR B2328 13.521 10.174 -28.167 1.00 0.00 N ATOM 796 CA TYR B2328 13.087 9.823 -26.806 1.00 0.00 C ATOM 797 C TYR B2328 11.561 9.993 -26.687 1.00 0.00 C ATOM 798 O TYR B2328 10.810 9.062 -26.984 1.00 0.00 O ATOM 799 CB TYR B2328 13.883 10.674 -25.804 1.00 0.00 C ATOM 800 CG TYR B2328 13.616 10.389 -24.336 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.042 9.173 -23.765 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.967 11.350 -23.535 1.00 0.00 C ATOM 803 CE1 TYR B2328 13.813 8.915 -22.399 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.728 11.090 -22.171 1.00 0.00 C ATOM 805 CZ TYR B2328 13.152 9.873 -21.598 1.00 0.00 C ATOM 806 OH TYR B2328 12.918 9.632 -20.278 1.00 0.00 O ATOM 0 H TYR B2328 13.864 11.131 -28.250 1.00 0.00 H new ATOM 0 HA TYR B2328 13.293 8.777 -26.579 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.946 10.528 -25.996 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.666 11.725 -25.996 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.545 8.438 -24.376 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.652 12.288 -23.968 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.143 7.984 -21.963 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.219 11.824 -21.563 1.00 0.00 H new ATOM 0 HH TYR B2328 12.454 10.400 -19.882 1.00 0.00 H new ATOM 816 N GLU B2329 11.079 11.202 -26.371 1.00 0.00 N ATOM 817 CA GLU B2329 9.644 11.519 -26.352 1.00 0.00 C ATOM 818 C GLU B2329 8.982 11.316 -27.721 1.00 0.00 C ATOM 819 O GLU B2329 7.868 10.805 -27.788 1.00 0.00 O ATOM 820 CB GLU B2329 9.405 12.947 -25.844 1.00 0.00 C ATOM 821 CG GLU B2329 9.408 13.024 -24.312 1.00 0.00 C ATOM 822 CD GLU B2329 8.802 14.356 -23.839 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.510 15.388 -23.868 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.604 14.371 -23.462 1.00 0.00 O ATOM 0 H GLU B2329 11.675 11.991 -26.120 1.00 0.00 H new ATOM 0 HA GLU B2329 9.176 10.818 -25.661 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.177 13.606 -26.241 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.450 13.311 -26.223 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.838 12.191 -23.899 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.428 12.929 -23.939 1.00 0.00 H new ATOM 831 N ASP B2330 9.681 11.639 -28.815 1.00 0.00 N ATOM 832 CA ASP B2330 9.178 11.455 -30.186 1.00 0.00 C ATOM 833 C ASP B2330 8.886 9.978 -30.545 1.00 0.00 C ATOM 834 O ASP B2330 8.109 9.705 -31.464 1.00 0.00 O ATOM 835 CB ASP B2330 10.171 12.089 -31.175 1.00 0.00 C ATOM 836 CG ASP B2330 9.485 12.515 -32.482 1.00 0.00 C ATOM 837 OD1 ASP B2330 9.285 11.671 -33.388 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.105 13.705 -32.585 1.00 0.00 O ATOM 0 H ASP B2330 10.619 12.039 -28.776 1.00 0.00 H new ATOM 0 HA ASP B2330 8.214 11.959 -30.254 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.640 12.957 -30.712 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.966 11.377 -31.398 1.00 0.00 H new ATOM 843 N CYS B2331 9.470 9.020 -29.811 1.00 0.00 N ATOM 844 CA CYS B2331 9.157 7.593 -29.925 1.00 0.00 C ATOM 845 C CYS B2331 8.044 7.162 -28.947 1.00 0.00 C ATOM 846 O CYS B2331 7.124 6.442 -29.346 1.00 0.00 O ATOM 847 CB CYS B2331 10.449 6.798 -29.686 1.00 0.00 C ATOM 848 SG CYS B2331 10.189 5.026 -29.988 1.00 0.00 S ATOM 0 H CYS B2331 10.184 9.221 -29.111 1.00 0.00 H new ATOM 0 HA CYS B2331 8.773 7.389 -30.924 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.236 7.171 -30.342 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.789 6.950 -28.662 1.00 0.00 H new ATOM 0 HG CYS B2331 11.299 4.383 -29.780 1.00 0.00 H new ATOM 854 N ILE B2332 8.098 7.599 -27.679 1.00 0.00 N ATOM 855 CA ILE B2332 7.185 7.107 -26.627 1.00 0.00 C ATOM 856 C ILE B2332 5.794 7.777 -26.589 1.00 0.00 C ATOM 857 O ILE B2332 4.911 7.261 -25.895 1.00 0.00 O ATOM 858 CB ILE B2332 7.837 7.129 -25.224 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.148 8.549 -24.705 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.105 6.255 -25.191 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.028 8.664 -23.183 1.00 0.00 C ATOM 0 H ILE B2332 8.767 8.296 -27.353 1.00 0.00 H new ATOM 0 HA ILE B2332 7.001 6.073 -26.917 1.00 0.00 H new ATOM 0 HB ILE B2332 7.092 6.711 -24.546 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.157 8.828 -25.007 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.467 9.259 -25.173 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.544 6.288 -24.194 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.844 5.226 -25.439 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.826 6.632 -25.917 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.258 9.684 -22.876 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.012 8.414 -22.878 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.729 7.976 -22.710 1.00 0.00 H new