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= 0.144 USER MOD Single : A 532 THR OG1 : rot 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0.0986 K(o=0.099,f=-0.59) USER MOD Single : A 543 ASN : amide:sc= 1.2 K(o=1.2,f=-0.011) USER MOD Single : A 544 THR OG1 : rot -56:sc= 1.28 USER MOD Single : A 547 THR OG1 : rot -160:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0282 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 24.035 17.526 -14.295 1.00 0.00 N ATOM 117 CA LEU A 523 23.409 17.443 -15.623 1.00 0.00 C ATOM 118 C LEU A 523 22.874 18.809 -16.142 1.00 0.00 C ATOM 119 O LEU A 523 22.495 19.665 -15.333 1.00 0.00 O ATOM 120 CB LEU A 523 22.352 16.312 -15.612 1.00 0.00 C ATOM 121 CG LEU A 523 20.954 16.681 -15.060 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.905 16.614 -16.171 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.515 15.727 -13.949 1.00 0.00 C ATOM 0 HA LEU A 523 24.173 17.184 -16.356 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.231 15.948 -16.632 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.744 15.484 -15.022 1.00 0.00 H new ATOM 0 HG LEU A 523 21.032 17.693 -14.662 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.928 16.876 -15.765 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.169 17.315 -16.963 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.870 15.603 -16.577 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.529 16.019 -13.587 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.472 14.710 -14.339 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.230 15.771 -13.128 1.00 0.00 H new ATOM 135 N PRO A 524 22.830 19.038 -17.472 1.00 0.00 N ATOM 136 CA PRO A 524 22.422 20.321 -18.057 1.00 0.00 C ATOM 137 C PRO A 524 20.931 20.665 -17.820 1.00 0.00 C ATOM 138 O PRO A 524 20.096 19.765 -17.682 1.00 0.00 O ATOM 139 CB PRO A 524 22.779 20.230 -19.547 1.00 0.00 C ATOM 140 CG PRO A 524 22.814 18.731 -19.829 1.00 0.00 C ATOM 141 CD PRO A 524 23.291 18.131 -18.512 1.00 0.00 C ATOM 0 HA PRO A 524 22.946 21.144 -17.572 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.038 20.735 -20.166 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.741 20.698 -19.756 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.831 18.353 -20.110 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.493 18.493 -20.648 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.883 17.131 -18.368 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.377 18.037 -18.496 1.00 0.00 H new ATOM 149 N PRO A 525 20.568 21.964 -17.781 1.00 0.00 N ATOM 150 CA PRO A 525 19.267 22.437 -17.297 1.00 0.00 C ATOM 151 C PRO A 525 18.105 22.075 -18.237 1.00 0.00 C ATOM 152 O PRO A 525 17.991 22.610 -19.341 1.00 0.00 O ATOM 153 CB PRO A 525 19.425 23.955 -17.130 1.00 0.00 C ATOM 154 CG PRO A 525 20.519 24.319 -18.133 1.00 0.00 C ATOM 155 CD PRO A 525 21.431 23.097 -18.093 1.00 0.00 C ATOM 0 HA PRO A 525 19.003 21.951 -16.358 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.494 24.480 -17.345 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.712 24.218 -16.112 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.114 24.489 -19.130 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.047 25.228 -17.844 1.00 0.00 H new ATOM 0 HD2 PRO A 525 21.934 22.953 -19.049 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.209 23.215 -17.339 1.00 0.00 H new ATOM 163 N GLY A 526 17.217 21.178 -17.793 1.00 0.00 N ATOM 164 CA GLY A 526 16.030 20.752 -18.551 1.00 0.00 C ATOM 165 C GLY A 526 16.332 19.958 -19.834 1.00 0.00 C ATOM 166 O GLY A 526 15.493 19.911 -20.737 1.00 0.00 O ATOM 0 H GLY A 526 17.302 20.720 -16.885 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.402 20.141 -17.902 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.450 21.636 -18.816 1.00 0.00 H new ATOM 170 N TRP A 527 17.514 19.339 -19.915 1.00 0.00 N ATOM 171 CA TRP A 527 17.989 18.535 -21.049 1.00 0.00 C ATOM 172 C TRP A 527 18.116 17.049 -20.673 1.00 0.00 C ATOM 173 O TRP A 527 18.233 16.681 -19.502 1.00 0.00 O ATOM 174 CB TRP A 527 19.354 19.076 -21.514 1.00 0.00 C ATOM 175 CG TRP A 527 19.338 20.234 -22.468 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.447 21.538 -22.131 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.262 20.211 -23.930 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.416 22.322 -23.268 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.302 21.556 -24.409 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.184 19.191 -24.902 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.244 21.870 -25.776 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.112 19.494 -26.277 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.144 20.829 -26.715 1.00 0.00 C ATOM 0 H TRP A 527 18.197 19.386 -19.159 1.00 0.00 H new ATOM 0 HA TRP A 527 17.260 18.611 -21.856 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.920 19.372 -20.631 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.901 18.258 -21.983 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.544 21.912 -21.122 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.471 23.341 -23.264 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.179 18.158 -24.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.276 22.899 -26.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.032 18.695 -26.999 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.092 21.054 -27.770 1.00 0.00 H new ATOM 194 N GLU A 528 18.163 16.196 -21.693 1.00 0.00 N ATOM 195 CA GLU A 528 18.470 14.766 -21.614 1.00 0.00 C ATOM 196 C GLU A 528 19.560 14.430 -22.652 1.00 0.00 C ATOM 197 O GLU A 528 19.683 15.092 -23.685 1.00 0.00 O ATOM 198 CB GLU A 528 17.158 13.975 -21.797 1.00 0.00 C ATOM 199 CG GLU A 528 17.286 12.452 -21.950 1.00 0.00 C ATOM 200 CD GLU A 528 17.798 11.781 -20.660 1.00 0.00 C ATOM 201 OE1 GLU A 528 18.993 11.956 -20.325 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.012 11.081 -19.979 1.00 0.00 O ATOM 0 H GLU A 528 17.978 16.498 -22.650 1.00 0.00 H new ATOM 0 HA GLU A 528 18.876 14.484 -20.643 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.516 14.178 -20.940 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.646 14.364 -22.678 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.316 12.032 -22.216 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.967 12.226 -22.771 1.00 0.00 H new ATOM 209 N ILE A 529 20.392 13.430 -22.356 1.00 0.00 N ATOM 210 CA ILE A 529 21.620 13.104 -23.095 1.00 0.00 C ATOM 211 C ILE A 529 21.770 11.582 -23.133 1.00 0.00 C ATOM 212 O ILE A 529 21.796 10.929 -22.086 1.00 0.00 O ATOM 213 CB ILE A 529 22.892 13.745 -22.471 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.709 15.173 -21.906 1.00 0.00 C ATOM 215 CG2 ILE A 529 23.995 13.769 -23.543 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.225 15.170 -20.447 1.00 0.00 C ATOM 0 H ILE A 529 20.227 12.802 -21.570 1.00 0.00 H new ATOM 0 HA ILE A 529 21.528 13.516 -24.100 1.00 0.00 H new ATOM 0 HB ILE A 529 23.149 13.127 -21.611 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.655 15.710 -21.971 1.00 0.00 H new ATOM 0 HG13 ILE A 529 21.992 15.715 -22.522 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.898 14.215 -23.126 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.210 12.751 -23.867 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.660 14.358 -24.397 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.113 16.197 -20.099 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.265 14.658 -20.383 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.954 14.653 -19.823 1.00 0.00 H new ATOM 228 N ARG A 530 21.852 11.007 -24.337 1.00 0.00 N ATOM 229 CA ARG A 530 21.827 9.550 -24.560 1.00 0.00 C ATOM 230 C ARG A 530 22.971 9.096 -25.468 1.00 0.00 C ATOM 231 O ARG A 530 23.538 9.892 -26.218 1.00 0.00 O ATOM 232 CB ARG A 530 20.452 9.123 -25.121 1.00 0.00 C ATOM 233 CG ARG A 530 19.260 9.425 -24.183 1.00 0.00 C ATOM 234 CD ARG A 530 18.421 8.183 -23.852 1.00 0.00 C ATOM 235 NE ARG A 530 19.152 7.250 -22.967 1.00 0.00 N ATOM 236 CZ ARG A 530 18.881 5.973 -22.756 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.892 5.364 -23.346 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.610 5.273 -21.934 1.00 0.00 N ATOM 0 H ARG A 530 21.939 11.545 -25.199 1.00 0.00 H new ATOM 0 HA ARG A 530 21.976 9.055 -23.600 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.288 9.629 -26.072 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.474 8.053 -25.329 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.636 9.859 -23.256 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.620 10.174 -24.649 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.492 8.489 -23.371 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.148 7.671 -24.775 1.00 0.00 H new ATOM 0 HE ARG A 530 19.953 7.634 -22.465 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.295 5.874 -23.997 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.715 4.377 -23.157 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.394 5.710 -21.449 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.397 4.288 -21.775 1.00 0.00 H new ATOM 252 N TYR A 531 23.278 7.802 -25.399 1.00 0.00 N ATOM 253 CA TYR A 531 24.412 7.151 -26.059 1.00 0.00 C ATOM 254 C TYR A 531 23.908 5.906 -26.804 1.00 0.00 C ATOM 255 O TYR A 531 23.470 4.939 -26.173 1.00 0.00 O ATOM 256 CB TYR A 531 25.475 6.759 -25.016 1.00 0.00 C ATOM 257 CG TYR A 531 26.060 7.893 -24.190 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.402 8.327 -23.021 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.294 8.466 -24.553 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.968 9.338 -22.220 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.875 9.461 -23.743 1.00 0.00 C ATOM 262 CZ TYR A 531 27.212 9.903 -22.578 1.00 0.00 C ATOM 263 OH TYR A 531 27.772 10.881 -21.814 1.00 0.00 O ATOM 0 H TYR A 531 22.717 7.146 -24.856 1.00 0.00 H new ATOM 0 HA TYR A 531 24.868 7.839 -26.771 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.033 6.032 -24.334 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.292 6.256 -25.533 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.459 7.882 -22.738 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.795 8.142 -25.453 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.452 9.680 -21.335 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.830 9.887 -24.014 1.00 0.00 H new ATOM 0 HH TYR A 531 28.703 10.649 -21.616 1.00 0.00 H new ATOM 273 N THR A 532 23.911 5.930 -28.138 1.00 0.00 N ATOM 274 CA THR A 532 23.417 4.805 -28.954 1.00 0.00 C ATOM 275 C THR A 532 24.447 3.674 -29.058 1.00 0.00 C ATOM 276 O THR A 532 25.648 3.875 -28.848 1.00 0.00 O ATOM 277 CB THR A 532 23.008 5.250 -30.367 1.00 0.00 C ATOM 278 OG1 THR A 532 24.133 5.703 -31.085 1.00 0.00 O ATOM 279 CG2 THR A 532 21.949 6.353 -30.346 1.00 0.00 C ATOM 0 H THR A 532 24.252 6.720 -28.685 1.00 0.00 H new ATOM 0 HA THR A 532 22.534 4.430 -28.437 1.00 0.00 H new ATOM 0 HB THR A 532 22.577 4.377 -30.858 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.857 5.982 -31.983 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.694 6.632 -31.368 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.057 5.991 -29.836 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.340 7.223 -29.819 1.00 0.00 H new ATOM 287 N ALA A 533 23.993 2.474 -29.437 1.00 0.00 N ATOM 288 CA ALA A 533 24.853 1.303 -29.649 1.00 0.00 C ATOM 289 C ALA A 533 25.904 1.478 -30.775 1.00 0.00 C ATOM 290 O ALA A 533 26.871 0.715 -30.836 1.00 0.00 O ATOM 291 CB ALA A 533 23.953 0.086 -29.896 1.00 0.00 C ATOM 0 H ALA A 533 23.005 2.286 -29.607 1.00 0.00 H new ATOM 0 HA ALA A 533 25.452 1.161 -28.749 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.571 -0.797 -30.056 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.311 -0.073 -29.030 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.337 0.262 -30.778 1.00 0.00 H new ATOM 297 N ALA A 534 25.754 2.492 -31.640 1.00 0.00 N ATOM 298 CA ALA A 534 26.767 2.901 -32.620 1.00 0.00 C ATOM 299 C ALA A 534 28.008 3.583 -31.994 1.00 0.00 C ATOM 300 O ALA A 534 29.004 3.797 -32.691 1.00 0.00 O ATOM 301 CB ALA A 534 26.097 3.827 -33.646 1.00 0.00 C ATOM 0 H ALA A 534 24.908 3.061 -31.677 1.00 0.00 H new ATOM 0 HA ALA A 534 27.150 1.999 -33.097 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.833 4.144 -34.385 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.288 3.293 -34.145 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.694 4.703 -33.137 1.00 0.00 H new ATOM 307 N GLY A 535 27.966 3.936 -30.702 1.00 0.00 N ATOM 308 CA GLY A 535 29.047 4.639 -30.000 1.00 0.00 C ATOM 309 C GLY A 535 28.968 6.164 -30.146 1.00 0.00 C ATOM 310 O GLY A 535 30.000 6.830 -30.242 1.00 0.00 O ATOM 0 H GLY A 535 27.164 3.737 -30.104 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.014 4.379 -28.942 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.007 4.293 -30.384 1.00 0.00 H new ATOM 314 N GLU A 536 27.754 6.719 -30.207 1.00 0.00 N ATOM 315 CA GLU A 536 27.487 8.126 -30.536 1.00 0.00 C ATOM 316 C GLU A 536 26.580 8.785 -29.483 1.00 0.00 C ATOM 317 O GLU A 536 25.563 8.216 -29.076 1.00 0.00 O ATOM 318 CB GLU A 536 26.825 8.205 -31.923 1.00 0.00 C ATOM 319 CG GLU A 536 27.734 7.777 -33.086 1.00 0.00 C ATOM 320 CD GLU A 536 28.912 8.733 -33.354 1.00 0.00 C ATOM 321 OE1 GLU A 536 28.877 9.904 -32.905 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.859 8.326 -34.070 1.00 0.00 O ATOM 0 H GLU A 536 26.903 6.187 -30.024 1.00 0.00 H new ATOM 0 HA GLU A 536 28.434 8.666 -30.544 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.935 7.576 -31.923 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.492 9.229 -32.096 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.128 6.783 -32.877 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.133 7.697 -33.992 1.00 0.00 H new ATOM 329 N ARG A 537 26.954 9.997 -29.048 1.00 0.00 N ATOM 330 CA ARG A 537 26.218 10.814 -28.067 1.00 0.00 C ATOM 331 C ARG A 537 25.305 11.820 -28.772 1.00 0.00 C ATOM 332 O ARG A 537 25.710 12.465 -29.741 1.00 0.00 O ATOM 333 CB ARG A 537 27.232 11.485 -27.116 1.00 0.00 C ATOM 334 CG ARG A 537 26.652 12.536 -26.145 1.00 0.00 C ATOM 335 CD ARG A 537 27.609 12.739 -24.957 1.00 0.00 C ATOM 336 NE ARG A 537 27.540 14.080 -24.342 1.00 0.00 N ATOM 337 CZ ARG A 537 28.183 14.450 -23.242 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.793 13.600 -22.464 1.00 0.00 N ATOM 339 NH2 ARG A 537 28.241 15.700 -22.885 1.00 0.00 N ATOM 0 H ARG A 537 27.805 10.452 -29.379 1.00 0.00 H new ATOM 0 HA ARG A 537 25.561 10.183 -27.468 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.720 10.707 -26.529 1.00 0.00 H new ATOM 0 HB3 ARG A 537 28.005 11.962 -27.718 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.501 13.481 -26.667 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.676 12.211 -25.785 1.00 0.00 H new ATOM 0 HD2 ARG A 537 27.387 11.991 -24.195 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.630 12.559 -25.293 1.00 0.00 H new ATOM 0 HE ARG A 537 26.952 14.777 -24.799 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.788 12.606 -22.692 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.275 13.929 -21.628 1.00 0.00 H new ATOM 0 HH21 ARG A 537 27.787 16.415 -23.454 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.740 15.965 -22.036 1.00 0.00 H new ATOM 353 N PHE A 538 24.092 11.973 -28.247 1.00 0.00 N ATOM 354 CA PHE A 538 23.052 12.875 -28.750 1.00 0.00 C ATOM 355 C PHE A 538 22.360 13.593 -27.589 1.00 0.00 C ATOM 356 O PHE A 538 22.291 13.070 -26.473 1.00 0.00 O ATOM 357 CB PHE A 538 22.001 12.079 -29.541 1.00 0.00 C ATOM 358 CG PHE A 538 22.523 11.327 -30.750 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.999 10.011 -30.604 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.507 11.925 -32.024 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.453 9.297 -31.725 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.955 11.204 -33.148 1.00 0.00 C ATOM 363 CZ PHE A 538 23.431 9.891 -32.997 1.00 0.00 C ATOM 0 H PHE A 538 23.791 11.451 -27.424 1.00 0.00 H new ATOM 0 HA PHE A 538 23.524 13.611 -29.401 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.529 11.364 -28.867 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.223 12.767 -29.871 1.00 0.00 H new ATOM 0 HD1 PHE A 538 23.015 9.549 -29.628 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.151 12.938 -32.140 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.820 8.288 -31.608 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.933 11.661 -34.126 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.779 9.339 -33.858 1.00 0.00 H new ATOM 373 N PHE A 539 21.790 14.763 -27.874 1.00 0.00 N ATOM 374 CA PHE A 539 21.079 15.591 -26.900 1.00 0.00 C ATOM 375 C PHE A 539 19.595 15.706 -27.273 1.00 0.00 C ATOM 376 O PHE A 539 19.226 15.698 -28.452 1.00 0.00 O ATOM 377 CB PHE A 539 21.735 16.975 -26.823 1.00 0.00 C ATOM 378 CG PHE A 539 23.194 16.995 -26.401 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.212 16.793 -27.354 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.539 17.271 -25.064 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.563 16.878 -26.977 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.891 17.364 -24.687 1.00 0.00 C ATOM 383 CZ PHE A 539 25.903 17.178 -25.646 1.00 0.00 C ATOM 0 H PHE A 539 21.810 15.171 -28.809 1.00 0.00 H new ATOM 0 HA PHE A 539 21.140 15.121 -25.919 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.653 17.449 -27.801 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.166 17.587 -26.123 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.953 16.572 -28.379 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.763 17.412 -24.326 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.340 16.713 -27.709 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.152 17.578 -23.661 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.941 17.266 -25.360 1.00 0.00 H new ATOM 393 N VAL A 540 18.751 15.821 -26.250 1.00 0.00 N ATOM 394 CA VAL A 540 17.288 15.716 -26.305 1.00 0.00 C ATOM 395 C VAL A 540 16.675 16.819 -25.437 1.00 0.00 C ATOM 396 O VAL A 540 17.001 16.944 -24.255 1.00 0.00 O ATOM 397 CB VAL A 540 16.851 14.335 -25.768 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.327 14.180 -25.713 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.412 13.149 -26.566 1.00 0.00 C ATOM 0 H VAL A 540 19.086 16.001 -25.303 1.00 0.00 H new ATOM 0 HA VAL A 540 16.949 15.827 -27.335 1.00 0.00 H new ATOM 0 HB VAL A 540 17.270 14.310 -24.762 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.075 13.192 -25.328 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.907 14.942 -25.057 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.913 14.296 -26.715 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.060 12.216 -26.127 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.074 13.214 -27.600 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.501 13.175 -26.538 1.00 0.00 H new ATOM 409 N ASP A 541 15.749 17.589 -26.004 1.00 0.00 N ATOM 410 CA ASP A 541 15.056 18.688 -25.326 1.00 0.00 C ATOM 411 C ASP A 541 13.556 18.385 -25.207 1.00 0.00 C ATOM 412 O ASP A 541 12.825 18.364 -26.198 1.00 0.00 O ATOM 413 CB ASP A 541 15.303 19.996 -26.085 1.00 0.00 C ATOM 414 CG ASP A 541 14.387 21.111 -25.567 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.572 21.529 -24.402 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.445 21.517 -26.286 1.00 0.00 O ATOM 0 H ASP A 541 15.451 17.465 -26.971 1.00 0.00 H new ATOM 0 HA ASP A 541 15.450 18.796 -24.315 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.345 20.295 -25.973 1.00 0.00 H new ATOM 0 HB3 ASP A 541 15.128 19.842 -27.150 1.00 0.00 H new ATOM 421 N HIS A 542 13.084 18.155 -23.980 1.00 0.00 N ATOM 422 CA HIS A 542 11.667 17.885 -23.695 1.00 0.00 C ATOM 423 C HIS A 542 10.767 19.125 -23.856 1.00 0.00 C ATOM 424 O HIS A 542 9.559 18.991 -24.051 1.00 0.00 O ATOM 425 CB HIS A 542 11.538 17.314 -22.274 1.00 0.00 C ATOM 426 CG HIS A 542 12.397 16.100 -21.986 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.000 15.822 -20.755 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.710 15.098 -22.862 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.658 14.662 -20.917 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.507 14.209 -22.173 1.00 0.00 N ATOM 0 H HIS A 542 13.675 18.150 -23.149 1.00 0.00 H new ATOM 0 HA HIS A 542 11.320 17.160 -24.431 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.793 18.097 -21.560 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.495 17.051 -22.099 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.395 15.019 -23.892 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.228 14.164 -20.147 1.00 0.00 H new ATOM 0 HE2 HIS A 542 13.913 13.353 -22.552 1.00 0.00 H new ATOM 437 N ASN A 543 11.334 20.336 -23.794 1.00 0.00 N ATOM 438 CA ASN A 543 10.584 21.598 -23.860 1.00 0.00 C ATOM 439 C ASN A 543 9.947 21.857 -25.243 1.00 0.00 C ATOM 440 O ASN A 543 8.879 22.469 -25.322 1.00 0.00 O ATOM 441 CB ASN A 543 11.503 22.761 -23.446 1.00 0.00 C ATOM 442 CG ASN A 543 12.107 22.560 -22.064 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.458 22.738 -21.042 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.355 22.162 -21.989 1.00 0.00 N ATOM 0 H ASN A 543 12.340 20.470 -23.695 1.00 0.00 H new ATOM 0 HA ASN A 543 9.750 21.521 -23.162 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.304 22.866 -24.178 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.935 23.691 -23.460 1.00 0.00 H new ATOM 0 HD21 ASN A 543 13.785 22.001 -21.078 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.895 22.014 -22.841 1.00 0.00 H new ATOM 451 N THR A 544 10.565 21.359 -26.322 1.00 0.00 N ATOM 452 CA THR A 544 10.091 21.490 -27.719 1.00 0.00 C ATOM 453 C THR A 544 10.135 20.168 -28.510 1.00 0.00 C ATOM 454 O THR A 544 9.903 20.154 -29.721 1.00 0.00 O ATOM 455 CB THR A 544 10.871 22.584 -28.473 1.00 0.00 C ATOM 456 OG1 THR A 544 12.231 22.245 -28.603 1.00 0.00 O ATOM 457 CG2 THR A 544 10.800 23.960 -27.808 1.00 0.00 C ATOM 0 H THR A 544 11.438 20.836 -26.252 1.00 0.00 H new ATOM 0 HA THR A 544 9.043 21.780 -27.646 1.00 0.00 H new ATOM 0 HB THR A 544 10.386 22.644 -29.448 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.612 22.075 -27.716 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.372 24.678 -28.395 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.761 24.284 -27.752 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.216 23.900 -26.802 1.00 0.00 H new ATOM 465 N ARG A 545 10.421 19.047 -27.827 1.00 0.00 N ATOM 466 CA ARG A 545 10.595 17.672 -28.354 1.00 0.00 C ATOM 467 C ARG A 545 11.785 17.475 -29.319 1.00 0.00 C ATOM 468 O ARG A 545 11.947 16.383 -29.868 1.00 0.00 O ATOM 469 CB ARG A 545 9.265 17.164 -28.958 1.00 0.00 C ATOM 470 CG ARG A 545 9.022 15.663 -28.708 1.00 0.00 C ATOM 471 CD ARG A 545 8.120 15.029 -29.773 1.00 0.00 C ATOM 472 NE ARG A 545 6.809 15.695 -29.894 1.00 0.00 N ATOM 473 CZ ARG A 545 6.001 15.648 -30.939 1.00 0.00 C ATOM 474 NH1 ARG A 545 6.256 14.936 -32.001 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.887 16.323 -30.933 1.00 0.00 N ATOM 0 H ARG A 545 10.547 19.074 -26.815 1.00 0.00 H new ATOM 0 HA ARG A 545 10.865 17.058 -27.495 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.439 17.735 -28.534 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.265 17.352 -30.032 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.979 15.141 -28.690 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.568 15.530 -27.726 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.628 15.062 -30.737 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.965 13.978 -29.530 1.00 0.00 H new ATOM 0 HE ARG A 545 6.496 16.245 -29.094 1.00 0.00 H new ATOM 0 HH11 ARG A 545 7.111 14.382 -32.051 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.600 14.933 -32.782 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.638 16.888 -30.121 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.264 16.286 -31.740 1.00 0.00 H new ATOM 489 N ARG A 546 12.599 18.510 -29.565 1.00 0.00 N ATOM 490 CA ARG A 546 13.723 18.489 -30.524 1.00 0.00 C ATOM 491 C ARG A 546 14.935 17.683 -30.035 1.00 0.00 C ATOM 492 O ARG A 546 15.042 17.314 -28.863 1.00 0.00 O ATOM 493 CB ARG A 546 14.114 19.929 -30.916 1.00 0.00 C ATOM 494 CG ARG A 546 14.860 20.684 -29.802 1.00 0.00 C ATOM 495 CD ARG A 546 15.204 22.123 -30.196 1.00 0.00 C ATOM 496 NE ARG A 546 16.283 22.173 -31.204 1.00 0.00 N ATOM 497 CZ ARG A 546 16.774 23.259 -31.773 1.00 0.00 C ATOM 498 NH1 ARG A 546 16.313 24.449 -31.504 1.00 0.00 N ATOM 499 NH2 ARG A 546 17.749 23.169 -32.631 1.00 0.00 N ATOM 0 H ARG A 546 12.496 19.409 -29.094 1.00 0.00 H new ATOM 0 HA ARG A 546 13.372 17.963 -31.412 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.742 19.898 -31.807 1.00 0.00 H new ATOM 0 HB3 ARG A 546 13.213 20.483 -31.180 1.00 0.00 H new ATOM 0 HG2 ARG A 546 14.246 20.694 -28.901 1.00 0.00 H new ATOM 0 HG3 ARG A 546 15.777 20.149 -29.557 1.00 0.00 H new ATOM 0 HD2 ARG A 546 14.315 22.614 -30.591 1.00 0.00 H new ATOM 0 HD3 ARG A 546 15.509 22.680 -29.310 1.00 0.00 H new ATOM 0 HE ARG A 546 16.688 21.281 -31.488 1.00 0.00 H new ATOM 0 HH11 ARG A 546 15.550 24.562 -30.836 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.715 25.267 -31.961 1.00 0.00 H new ATOM 0 HH21 ARG A 546 18.138 22.256 -32.867 1.00 0.00 H new ATOM 0 HH22 ARG A 546 18.124 24.011 -33.067 1.00 0.00 H new ATOM 513 N THR A 547 15.888 17.481 -30.941 1.00 0.00 N ATOM 514 CA THR A 547 17.175 16.804 -30.702 1.00 0.00 C ATOM 515 C THR A 547 18.312 17.462 -31.493 1.00 0.00 C ATOM 516 O THR A 547 18.066 18.257 -32.406 1.00 0.00 O ATOM 517 CB THR A 547 17.098 15.316 -31.083 1.00 0.00 C ATOM 518 OG1 THR A 547 16.680 15.167 -32.425 1.00 0.00 O ATOM 519 CG2 THR A 547 16.138 14.523 -30.200 1.00 0.00 C ATOM 0 H THR A 547 15.787 17.796 -31.906 1.00 0.00 H new ATOM 0 HA THR A 547 17.384 16.895 -29.636 1.00 0.00 H new ATOM 0 HB THR A 547 18.104 14.922 -30.941 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.334 14.260 -32.561 1.00 0.00 H new ATOM 0 HG21 THR A 547 16.128 13.481 -30.518 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.465 14.582 -29.162 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.134 14.939 -30.288 1.00 0.00 H new ATOM 527 N THR A 548 19.567 17.153 -31.148 1.00 0.00 N ATOM 528 CA THR A 548 20.768 17.660 -31.846 1.00 0.00 C ATOM 529 C THR A 548 22.014 16.797 -31.572 1.00 0.00 C ATOM 530 O THR A 548 22.084 16.061 -30.582 1.00 0.00 O ATOM 531 CB THR A 548 21.011 19.149 -31.505 1.00 0.00 C ATOM 532 OG1 THR A 548 22.211 19.624 -32.083 1.00 0.00 O ATOM 533 CG2 THR A 548 21.072 19.436 -30.007 1.00 0.00 C ATOM 0 H THR A 548 19.787 16.536 -30.366 1.00 0.00 H new ATOM 0 HA THR A 548 20.579 17.587 -32.917 1.00 0.00 H new ATOM 0 HB THR A 548 20.147 19.667 -31.921 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.335 20.568 -31.850 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.245 20.500 -29.847 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.129 19.148 -29.543 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.886 18.865 -29.560 1.00 0.00 H new ATOM 541 N PHE A 549 22.994 16.871 -32.480 1.00 0.00 N ATOM 542 CA PHE A 549 24.273 16.148 -32.441 1.00 0.00 C ATOM 543 C PHE A 549 25.320 16.784 -31.502 1.00 0.00 C ATOM 544 O PHE A 549 26.359 16.179 -31.230 1.00 0.00 O ATOM 545 CB PHE A 549 24.855 16.104 -33.869 1.00 0.00 C ATOM 546 CG PHE A 549 23.893 15.702 -34.977 1.00 0.00 C ATOM 547 CD1 PHE A 549 23.116 14.536 -34.854 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.770 16.495 -36.136 1.00 0.00 C ATOM 549 CE1 PHE A 549 22.219 14.166 -35.872 1.00 0.00 C ATOM 550 CE2 PHE A 549 22.881 16.121 -37.160 1.00 0.00 C ATOM 551 CZ PHE A 549 22.103 14.957 -37.028 1.00 0.00 C ATOM 0 H PHE A 549 22.914 17.467 -33.304 1.00 0.00 H new ATOM 0 HA PHE A 549 24.062 15.153 -32.050 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.256 17.089 -34.105 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.694 15.408 -33.875 1.00 0.00 H new ATOM 0 HD1 PHE A 549 23.209 13.920 -33.971 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.361 17.393 -36.238 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.619 13.274 -35.766 1.00 0.00 H new ATOM 0 HE2 PHE A 549 22.796 16.729 -38.049 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.418 14.672 -37.813 1.00 0.00 H new ATOM 561 N GLU A 550 25.081 18.013 -31.037 1.00 0.00 N ATOM 562 CA GLU A 550 26.031 18.849 -30.286 1.00 0.00 C ATOM 563 C GLU A 550 25.303 19.768 -29.277 1.00 0.00 C ATOM 564 O GLU A 550 24.133 19.551 -28.971 1.00 0.00 O ATOM 565 CB GLU A 550 26.920 19.626 -31.284 1.00 0.00 C ATOM 566 CG GLU A 550 26.171 20.627 -32.178 1.00 0.00 C ATOM 567 CD GLU A 550 27.136 21.297 -33.176 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.741 22.342 -32.833 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.297 20.787 -34.313 1.00 0.00 O ATOM 0 H GLU A 550 24.183 18.475 -31.178 1.00 0.00 H new ATOM 0 HA GLU A 550 26.680 18.215 -29.682 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.685 20.164 -30.724 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.437 18.909 -31.921 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.377 20.114 -32.721 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.694 21.388 -31.560 1.00 0.00 H new ATOM 756 N PRO B2325 18.922 7.840 -35.489 1.00 0.00 N ATOM 757 CA PRO B2325 18.141 9.033 -35.167 1.00 0.00 C ATOM 758 C PRO B2325 17.740 9.043 -33.676 1.00 0.00 C ATOM 759 O PRO B2325 17.095 8.092 -33.216 1.00 0.00 O ATOM 760 CB PRO B2325 16.922 8.978 -36.095 1.00 0.00 C ATOM 761 CG PRO B2325 16.721 7.486 -36.356 1.00 0.00 C ATOM 762 CD PRO B2325 18.140 6.922 -36.309 1.00 0.00 C ATOM 0 HA PRO B2325 18.707 9.952 -35.319 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.044 9.423 -35.627 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.101 9.524 -37.021 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.082 7.029 -35.600 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.250 7.307 -37.323 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.145 5.919 -35.882 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.560 6.843 -37.312 1.00 0.00 H new ATOM 770 N PRO B2326 18.084 10.089 -32.897 1.00 0.00 N ATOM 771 CA PRO B2326 17.618 10.226 -31.518 1.00 0.00 C ATOM 772 C PRO B2326 16.116 10.565 -31.489 1.00 0.00 C ATOM 773 O PRO B2326 15.661 11.507 -32.143 1.00 0.00 O ATOM 774 CB PRO B2326 18.489 11.328 -30.907 1.00 0.00 C ATOM 775 CG PRO B2326 18.827 12.210 -32.107 1.00 0.00 C ATOM 776 CD PRO B2326 18.936 11.215 -33.259 1.00 0.00 C ATOM 0 HA PRO B2326 17.714 9.304 -30.945 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.954 11.884 -30.137 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.386 10.920 -30.441 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.051 12.953 -32.290 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.760 12.753 -31.956 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.610 11.666 -34.196 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.968 10.894 -33.401 1.00 0.00 H new ATOM 784 N SER B2327 15.341 9.798 -30.718 1.00 0.00 N ATOM 785 CA SER B2327 13.880 9.939 -30.594 1.00 0.00 C ATOM 786 C SER B2327 13.417 9.445 -29.219 1.00 0.00 C ATOM 787 O SER B2327 13.075 8.274 -29.054 1.00 0.00 O ATOM 788 CB SER B2327 13.140 9.172 -31.709 1.00 0.00 C ATOM 789 OG SER B2327 13.512 9.600 -33.011 1.00 0.00 O ATOM 0 H SER B2327 15.717 9.042 -30.147 1.00 0.00 H new ATOM 0 HA SER B2327 13.637 10.997 -30.698 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.346 8.106 -31.609 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.065 9.302 -31.582 1.00 0.00 H new ATOM 0 HG SER B2327 13.017 9.082 -33.680 1.00 0.00 H new ATOM 795 N TYR B2328 13.455 10.321 -28.210 1.00 0.00 N ATOM 796 CA TYR B2328 12.987 10.013 -26.852 1.00 0.00 C ATOM 797 C TYR B2328 11.457 10.166 -26.769 1.00 0.00 C ATOM 798 O TYR B2328 10.727 9.225 -27.089 1.00 0.00 O ATOM 799 CB TYR B2328 13.768 10.886 -25.855 1.00 0.00 C ATOM 800 CG TYR B2328 13.582 10.528 -24.392 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.292 9.445 -23.837 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.728 11.293 -23.574 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.147 9.126 -22.472 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.573 10.975 -22.212 1.00 0.00 C ATOM 805 CZ TYR B2328 13.284 9.890 -21.655 1.00 0.00 C ATOM 806 OH TYR B2328 13.131 9.592 -20.335 1.00 0.00 O ATOM 0 H TYR B2328 13.813 11.270 -28.312 1.00 0.00 H new ATOM 0 HA TYR B2328 13.185 8.974 -26.588 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.829 10.822 -26.095 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.471 11.925 -25.998 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.950 8.857 -24.460 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.189 12.129 -23.995 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.696 8.297 -22.050 1.00 0.00 H new ATOM 0 HE2 TYR B2328 11.910 11.561 -21.593 1.00 0.00 H new ATOM 0 HH TYR B2328 12.500 10.222 -19.928 1.00 0.00 H new ATOM 816 N GLU B2329 10.940 11.364 -26.458 1.00 0.00 N ATOM 817 CA GLU B2329 9.492 11.630 -26.470 1.00 0.00 C ATOM 818 C GLU B2329 8.874 11.425 -27.858 1.00 0.00 C ATOM 819 O GLU B2329 7.740 10.971 -27.960 1.00 0.00 O ATOM 820 CB GLU B2329 9.156 13.037 -25.954 1.00 0.00 C ATOM 821 CG GLU B2329 9.319 13.164 -24.433 1.00 0.00 C ATOM 822 CD GLU B2329 8.465 14.322 -23.886 1.00 0.00 C ATOM 823 OE1 GLU B2329 8.881 15.496 -24.020 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.371 14.063 -23.325 1.00 0.00 O ATOM 0 H GLU B2329 11.507 12.170 -26.193 1.00 0.00 H new ATOM 0 HA GLU B2329 9.053 10.900 -25.789 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.802 13.764 -26.447 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.130 13.285 -26.227 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.025 12.231 -23.952 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.368 13.332 -24.188 1.00 0.00 H new ATOM 831 N ASP B2330 9.627 11.688 -28.933 1.00 0.00 N ATOM 832 CA ASP B2330 9.181 11.495 -30.321 1.00 0.00 C ATOM 833 C ASP B2330 9.001 10.014 -30.736 1.00 0.00 C ATOM 834 O ASP B2330 8.503 9.739 -31.829 1.00 0.00 O ATOM 835 CB ASP B2330 10.140 12.241 -31.261 1.00 0.00 C ATOM 836 CG ASP B2330 9.474 12.585 -32.605 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.430 13.285 -32.584 1.00 0.00 O ATOM 838 OD2 ASP B2330 10.009 12.204 -33.673 1.00 0.00 O ATOM 0 H ASP B2330 10.579 12.047 -28.863 1.00 0.00 H new ATOM 0 HA ASP B2330 8.178 11.915 -30.400 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.481 13.158 -30.779 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.023 11.628 -31.440 1.00 0.00 H new ATOM 843 N CYS B2331 9.351 9.061 -29.861 1.00 0.00 N ATOM 844 CA CYS B2331 9.087 7.627 -30.033 1.00 0.00 C ATOM 845 C CYS B2331 8.101 7.092 -28.978 1.00 0.00 C ATOM 846 O CYS B2331 7.181 6.346 -29.319 1.00 0.00 O ATOM 847 CB CYS B2331 10.429 6.882 -29.983 1.00 0.00 C ATOM 848 SG CYS B2331 10.204 5.130 -30.405 1.00 0.00 S ATOM 0 H CYS B2331 9.839 9.273 -28.991 1.00 0.00 H new ATOM 0 HA CYS B2331 8.609 7.460 -30.998 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.132 7.341 -30.678 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.862 6.969 -28.987 1.00 0.00 H new ATOM 0 HG CYS B2331 11.352 4.521 -30.358 1.00 0.00 H new ATOM 854 N ILE B2332 8.229 7.512 -27.710 1.00 0.00 N ATOM 855 CA ILE B2332 7.390 7.031 -26.592 1.00 0.00 C ATOM 856 C ILE B2332 6.079 7.832 -26.388 1.00 0.00 C ATOM 857 O ILE B2332 5.486 7.768 -25.306 1.00 0.00 O ATOM 858 CB ILE B2332 8.213 6.902 -25.285 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.680 8.263 -24.719 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.414 5.956 -25.477 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.394 8.411 -23.222 1.00 0.00 C ATOM 0 H ILE B2332 8.924 8.202 -27.425 1.00 0.00 H new ATOM 0 HA ILE B2332 7.058 6.033 -26.879 1.00 0.00 H new ATOM 0 HB ILE B2332 7.537 6.473 -24.546 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.750 8.376 -24.893 1.00 0.00 H new ATOM 0 HG13 ILE B2332 8.182 9.067 -25.261 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.973 5.884 -24.544 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.056 4.967 -25.762 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.063 6.347 -26.260 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.743 9.385 -22.879 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.321 8.327 -23.046 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.914 7.626 -22.673 1.00 0.00 H new