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 151:sc=0.000308 USER MOD Single : A 532 THR OG1 : rot 170:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0.0839 K(o=0.084,f=-0.51) USER MOD Single : A 543 ASN : amide:sc= 1.19 K(o=1.2,f=-0.011) USER MOD Single : A 544 THR OG1 : rot -48:sc= 0.0181 USER MOD Single : A 547 THR OG1 : rot -170:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0887 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 24.086 17.184 -14.402 1.00 0.00 N ATOM 117 CA LEU A 523 23.464 17.251 -15.734 1.00 0.00 C ATOM 118 C LEU A 523 23.100 18.699 -16.168 1.00 0.00 C ATOM 119 O LEU A 523 22.892 19.561 -15.305 1.00 0.00 O ATOM 120 CB LEU A 523 22.265 16.273 -15.792 1.00 0.00 C ATOM 121 CG LEU A 523 20.938 16.747 -15.150 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.774 16.556 -16.125 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.611 15.965 -13.876 1.00 0.00 C ATOM 0 HA LEU A 523 24.199 16.932 -16.473 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.070 16.038 -16.838 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.563 15.343 -15.307 1.00 0.00 H new ATOM 0 HG LEU A 523 21.069 17.801 -14.905 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.849 16.894 -15.658 1.00 0.00 H new ATOM 0 HD12 LEU A 523 19.957 17.137 -17.029 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.685 15.501 -16.384 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.673 16.328 -13.457 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.516 14.905 -14.114 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.411 16.103 -13.149 1.00 0.00 H new ATOM 135 N PRO A 524 22.994 18.990 -17.483 1.00 0.00 N ATOM 136 CA PRO A 524 22.587 20.304 -18.000 1.00 0.00 C ATOM 137 C PRO A 524 21.107 20.656 -17.707 1.00 0.00 C ATOM 138 O PRO A 524 20.278 19.759 -17.518 1.00 0.00 O ATOM 139 CB PRO A 524 22.884 20.261 -19.505 1.00 0.00 C ATOM 140 CG PRO A 524 22.842 18.776 -19.848 1.00 0.00 C ATOM 141 CD PRO A 524 23.367 18.110 -18.581 1.00 0.00 C ATOM 0 HA PRO A 524 23.141 21.097 -17.498 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.143 20.823 -20.074 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.857 20.696 -19.732 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.831 18.446 -20.087 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.465 18.545 -20.712 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.932 17.119 -18.452 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.448 17.980 -18.627 1.00 0.00 H new ATOM 149 N PRO A 525 20.743 21.956 -17.682 1.00 0.00 N ATOM 150 CA PRO A 525 19.434 22.434 -17.222 1.00 0.00 C ATOM 151 C PRO A 525 18.295 22.116 -18.209 1.00 0.00 C ATOM 152 O PRO A 525 18.241 22.665 -19.310 1.00 0.00 O ATOM 153 CB PRO A 525 19.607 23.946 -17.022 1.00 0.00 C ATOM 154 CG PRO A 525 20.711 24.320 -18.010 1.00 0.00 C ATOM 155 CD PRO A 525 21.611 23.087 -17.991 1.00 0.00 C ATOM 0 HA PRO A 525 19.138 21.929 -16.303 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.683 24.486 -17.231 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.890 24.184 -15.997 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.314 24.516 -19.006 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.246 25.217 -17.698 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.103 22.949 -18.954 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.397 23.190 -17.243 1.00 0.00 H new ATOM 163 N GLY A 526 17.353 21.256 -17.807 1.00 0.00 N ATOM 164 CA GLY A 526 16.160 20.919 -18.602 1.00 0.00 C ATOM 165 C GLY A 526 16.444 20.151 -19.905 1.00 0.00 C ATOM 166 O GLY A 526 15.653 20.232 -20.848 1.00 0.00 O ATOM 0 H GLY A 526 17.395 20.768 -16.912 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.487 20.323 -17.986 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.633 21.841 -18.848 1.00 0.00 H new ATOM 170 N TRP A 527 17.557 19.412 -19.953 1.00 0.00 N ATOM 171 CA TRP A 527 18.024 18.608 -21.092 1.00 0.00 C ATOM 172 C TRP A 527 18.171 17.124 -20.706 1.00 0.00 C ATOM 173 O TRP A 527 18.289 16.770 -19.531 1.00 0.00 O ATOM 174 CB TRP A 527 19.381 19.155 -21.578 1.00 0.00 C ATOM 175 CG TRP A 527 19.357 20.297 -22.551 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.460 21.606 -22.233 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.298 20.252 -24.013 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.439 22.373 -23.382 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.345 21.589 -24.512 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.237 19.216 -24.970 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.314 21.884 -25.885 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.191 19.498 -26.350 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.230 20.828 -26.809 1.00 0.00 C ATOM 0 H TRP A 527 18.192 19.354 -19.157 1.00 0.00 H new ATOM 0 HA TRP A 527 17.285 18.677 -21.890 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.950 19.470 -20.703 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.931 18.333 -22.037 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.546 21.995 -21.229 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.487 23.392 -23.393 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.225 18.188 -24.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.354 22.908 -26.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.125 18.687 -27.061 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.195 21.037 -27.868 1.00 0.00 H new ATOM 194 N GLU A 528 18.229 16.260 -21.717 1.00 0.00 N ATOM 195 CA GLU A 528 18.521 14.826 -21.616 1.00 0.00 C ATOM 196 C GLU A 528 19.597 14.447 -22.653 1.00 0.00 C ATOM 197 O GLU A 528 19.739 15.100 -23.690 1.00 0.00 O ATOM 198 CB GLU A 528 17.197 14.050 -21.774 1.00 0.00 C ATOM 199 CG GLU A 528 17.301 12.519 -21.855 1.00 0.00 C ATOM 200 CD GLU A 528 17.811 11.906 -20.536 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.021 12.042 -20.239 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.007 11.293 -19.794 1.00 0.00 O ATOM 0 H GLU A 528 18.066 16.553 -22.680 1.00 0.00 H new ATOM 0 HA GLU A 528 18.935 14.562 -20.643 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.551 14.303 -20.933 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.699 14.406 -22.676 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.323 12.101 -22.095 1.00 0.00 H new ATOM 0 HG3 GLU A 528 17.974 12.243 -22.667 1.00 0.00 H new ATOM 209 N ILE A 529 20.397 13.421 -22.353 1.00 0.00 N ATOM 210 CA ILE A 529 21.628 13.068 -23.075 1.00 0.00 C ATOM 211 C ILE A 529 21.742 11.543 -23.129 1.00 0.00 C ATOM 212 O ILE A 529 21.706 10.875 -22.091 1.00 0.00 O ATOM 213 CB ILE A 529 22.901 13.671 -22.417 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.748 15.119 -21.891 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.046 13.628 -23.444 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.223 15.180 -20.447 1.00 0.00 C ATOM 0 H ILE A 529 20.202 12.790 -21.575 1.00 0.00 H new ATOM 0 HA ILE A 529 21.564 13.489 -24.078 1.00 0.00 H new ATOM 0 HB ILE A 529 23.104 13.062 -21.536 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.713 15.623 -21.943 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.067 15.667 -22.543 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.949 14.047 -23.000 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.232 12.595 -23.738 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.769 14.211 -24.322 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.137 16.221 -20.135 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.244 14.704 -20.395 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.915 14.659 -19.786 1.00 0.00 H new ATOM 228 N ARG A 530 21.866 10.984 -24.337 1.00 0.00 N ATOM 229 CA ARG A 530 21.827 9.531 -24.589 1.00 0.00 C ATOM 230 C ARG A 530 22.991 9.089 -25.481 1.00 0.00 C ATOM 231 O ARG A 530 23.586 9.899 -26.192 1.00 0.00 O ATOM 232 CB ARG A 530 20.462 9.138 -25.196 1.00 0.00 C ATOM 233 CG ARG A 530 19.242 9.440 -24.294 1.00 0.00 C ATOM 234 CD ARG A 530 18.437 8.191 -23.909 1.00 0.00 C ATOM 235 NE ARG A 530 19.181 7.315 -22.977 1.00 0.00 N ATOM 236 CZ ARG A 530 18.843 6.092 -22.604 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.770 5.500 -23.048 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.587 5.428 -21.766 1.00 0.00 N ATOM 0 H ARG A 530 21.999 11.534 -25.185 1.00 0.00 H new ATOM 0 HA ARG A 530 21.942 9.009 -23.639 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.336 9.664 -26.142 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.474 8.072 -25.423 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.586 9.934 -23.386 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.585 10.141 -24.809 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.497 8.494 -23.449 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.185 7.631 -24.809 1.00 0.00 H new ATOM 0 HE ARG A 530 20.042 7.693 -22.582 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.158 5.981 -23.707 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.543 4.556 -22.737 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.437 5.851 -21.393 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.320 4.485 -21.483 1.00 0.00 H new ATOM 252 N TYR A 531 23.294 7.793 -25.438 1.00 0.00 N ATOM 253 CA TYR A 531 24.483 7.176 -26.034 1.00 0.00 C ATOM 254 C TYR A 531 24.068 5.902 -26.784 1.00 0.00 C ATOM 255 O TYR A 531 23.812 4.862 -26.168 1.00 0.00 O ATOM 256 CB TYR A 531 25.524 6.878 -24.937 1.00 0.00 C ATOM 257 CG TYR A 531 25.980 8.081 -24.126 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.249 8.486 -22.990 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.145 8.783 -24.493 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.663 9.601 -22.236 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.575 9.886 -23.729 1.00 0.00 C ATOM 262 CZ TYR A 531 26.829 10.306 -22.606 1.00 0.00 C ATOM 263 OH TYR A 531 27.230 11.398 -21.896 1.00 0.00 O ATOM 0 H TYR A 531 22.695 7.114 -24.968 1.00 0.00 H new ATOM 0 HA TYR A 531 24.943 7.859 -26.748 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.106 6.138 -24.254 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.398 6.423 -25.403 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.366 7.938 -22.696 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.709 8.475 -25.361 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.090 9.916 -21.377 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.478 10.412 -24.003 1.00 0.00 H new ATOM 0 HH TYR A 531 28.205 11.482 -21.947 1.00 0.00 H new ATOM 273 N THR A 532 23.913 5.991 -28.106 1.00 0.00 N ATOM 274 CA THR A 532 23.422 4.879 -28.942 1.00 0.00 C ATOM 275 C THR A 532 24.472 3.775 -29.113 1.00 0.00 C ATOM 276 O THR A 532 25.677 4.033 -29.050 1.00 0.00 O ATOM 277 CB THR A 532 22.974 5.370 -30.328 1.00 0.00 C ATOM 278 OG1 THR A 532 24.009 6.053 -30.997 1.00 0.00 O ATOM 279 CG2 THR A 532 21.778 6.319 -30.245 1.00 0.00 C ATOM 0 H THR A 532 24.124 6.837 -28.635 1.00 0.00 H new ATOM 0 HA THR A 532 22.564 4.462 -28.415 1.00 0.00 H new ATOM 0 HB THR A 532 22.695 4.471 -30.878 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.749 6.210 -31.929 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.497 6.639 -31.248 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.937 5.805 -29.780 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.046 7.190 -29.647 1.00 0.00 H new ATOM 287 N ALA A 533 24.029 2.547 -29.407 1.00 0.00 N ATOM 288 CA ALA A 533 24.898 1.374 -29.581 1.00 0.00 C ATOM 289 C ALA A 533 25.955 1.506 -30.707 1.00 0.00 C ATOM 290 O ALA A 533 26.968 0.804 -30.686 1.00 0.00 O ATOM 291 CB ALA A 533 24.007 0.143 -29.787 1.00 0.00 C ATOM 0 H ALA A 533 23.039 2.335 -29.533 1.00 0.00 H new ATOM 0 HA ALA A 533 25.496 1.276 -28.675 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.632 -0.740 -29.918 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.366 0.008 -28.916 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.389 0.285 -30.673 1.00 0.00 H new ATOM 297 N ALA A 534 25.759 2.429 -31.659 1.00 0.00 N ATOM 298 CA ALA A 534 26.757 2.820 -32.663 1.00 0.00 C ATOM 299 C ALA A 534 28.026 3.495 -32.082 1.00 0.00 C ATOM 300 O ALA A 534 29.018 3.647 -32.801 1.00 0.00 O ATOM 301 CB ALA A 534 26.071 3.744 -33.681 1.00 0.00 C ATOM 0 H ALA A 534 24.880 2.937 -31.754 1.00 0.00 H new ATOM 0 HA ALA A 534 27.122 1.906 -33.132 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.792 4.049 -34.439 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.247 3.213 -34.157 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.686 4.627 -33.170 1.00 0.00 H new ATOM 307 N GLY A 535 28.013 3.908 -30.807 1.00 0.00 N ATOM 308 CA GLY A 535 29.132 4.588 -30.141 1.00 0.00 C ATOM 309 C GLY A 535 29.084 6.114 -30.285 1.00 0.00 C ATOM 310 O GLY A 535 30.121 6.747 -30.486 1.00 0.00 O ATOM 0 H GLY A 535 27.206 3.776 -30.197 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.127 4.329 -29.082 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.071 4.220 -30.555 1.00 0.00 H new ATOM 314 N GLU A 536 27.888 6.708 -30.227 1.00 0.00 N ATOM 315 CA GLU A 536 27.642 8.133 -30.501 1.00 0.00 C ATOM 316 C GLU A 536 26.724 8.766 -29.443 1.00 0.00 C ATOM 317 O GLU A 536 25.698 8.191 -29.066 1.00 0.00 O ATOM 318 CB GLU A 536 27.000 8.297 -31.892 1.00 0.00 C ATOM 319 CG GLU A 536 27.885 7.877 -33.078 1.00 0.00 C ATOM 320 CD GLU A 536 29.159 8.732 -33.267 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.263 9.850 -32.707 1.00 0.00 O ATOM 322 OE2 GLU A 536 30.054 8.302 -34.035 1.00 0.00 O ATOM 0 H GLU A 536 27.039 6.199 -29.982 1.00 0.00 H new ATOM 0 HA GLU A 536 28.604 8.644 -30.469 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.081 7.712 -31.921 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.717 9.342 -32.023 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.179 6.836 -32.944 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.292 7.926 -33.991 1.00 0.00 H new ATOM 329 N ARG A 537 27.087 9.968 -28.974 1.00 0.00 N ATOM 330 CA ARG A 537 26.269 10.793 -28.070 1.00 0.00 C ATOM 331 C ARG A 537 25.294 11.674 -28.858 1.00 0.00 C ATOM 332 O ARG A 537 25.650 12.245 -29.891 1.00 0.00 O ATOM 333 CB ARG A 537 27.191 11.621 -27.149 1.00 0.00 C ATOM 334 CG ARG A 537 26.450 12.707 -26.341 1.00 0.00 C ATOM 335 CD ARG A 537 27.167 13.172 -25.067 1.00 0.00 C ATOM 336 NE ARG A 537 28.608 13.443 -25.246 1.00 0.00 N ATOM 337 CZ ARG A 537 29.480 13.649 -24.272 1.00 0.00 C ATOM 338 NH1 ARG A 537 29.141 13.606 -23.014 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.728 13.900 -24.545 1.00 0.00 N ATOM 0 H ARG A 537 27.976 10.404 -29.217 1.00 0.00 H new ATOM 0 HA ARG A 537 25.659 10.143 -27.442 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.697 10.948 -26.457 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.963 12.095 -27.755 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.290 13.571 -26.985 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.466 12.326 -26.067 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.682 14.077 -24.700 1.00 0.00 H new ATOM 0 HD3 ARG A 537 27.045 12.410 -24.297 1.00 0.00 H new ATOM 0 HE ARG A 537 28.961 13.474 -26.202 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.175 13.408 -22.753 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.842 13.770 -22.291 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.040 13.939 -25.515 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.394 14.058 -23.789 1.00 0.00 H new ATOM 353 N PHE A 538 24.093 11.841 -28.309 1.00 0.00 N ATOM 354 CA PHE A 538 23.045 12.742 -28.789 1.00 0.00 C ATOM 355 C PHE A 538 22.386 13.478 -27.618 1.00 0.00 C ATOM 356 O PHE A 538 22.382 12.991 -26.483 1.00 0.00 O ATOM 357 CB PHE A 538 21.985 11.938 -29.554 1.00 0.00 C ATOM 358 CG PHE A 538 22.488 11.275 -30.819 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.469 11.983 -32.035 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.975 9.955 -30.786 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.927 11.372 -33.217 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.438 9.349 -31.966 1.00 0.00 C ATOM 363 CZ PHE A 538 23.416 10.056 -33.179 1.00 0.00 C ATOM 0 H PHE A 538 23.809 11.326 -27.475 1.00 0.00 H new ATOM 0 HA PHE A 538 23.497 13.479 -29.453 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.583 11.171 -28.893 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.160 12.602 -29.811 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.102 12.998 -32.061 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.993 9.408 -29.855 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.903 11.914 -34.151 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.812 8.336 -31.940 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.775 9.587 -34.083 1.00 0.00 H new ATOM 373 N PHE A 539 21.778 14.627 -27.910 1.00 0.00 N ATOM 374 CA PHE A 539 21.111 15.485 -26.931 1.00 0.00 C ATOM 375 C PHE A 539 19.631 15.662 -27.291 1.00 0.00 C ATOM 376 O PHE A 539 19.248 15.662 -28.465 1.00 0.00 O ATOM 377 CB PHE A 539 21.833 16.837 -26.854 1.00 0.00 C ATOM 378 CG PHE A 539 23.253 16.784 -26.316 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.327 16.458 -27.168 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.506 17.097 -24.966 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.644 16.445 -26.674 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.823 17.084 -24.472 1.00 0.00 C ATOM 383 CZ PHE A 539 25.892 16.758 -25.326 1.00 0.00 C ATOM 0 H PHE A 539 21.734 14.997 -28.860 1.00 0.00 H new ATOM 0 HA PHE A 539 21.155 15.014 -25.949 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.856 17.276 -27.852 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.248 17.508 -26.224 1.00 0.00 H new ATOM 0 HD1 PHE A 539 24.138 16.217 -28.204 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.687 17.348 -24.309 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.465 16.195 -27.330 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.013 17.324 -23.436 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.903 16.748 -24.946 1.00 0.00 H new ATOM 393 N VAL A 540 18.801 15.806 -26.260 1.00 0.00 N ATOM 394 CA VAL A 540 17.338 15.707 -26.307 1.00 0.00 C ATOM 395 C VAL A 540 16.724 16.818 -25.454 1.00 0.00 C ATOM 396 O VAL A 540 17.036 16.954 -24.270 1.00 0.00 O ATOM 397 CB VAL A 540 16.898 14.325 -25.771 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.374 14.178 -25.689 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.437 13.155 -26.607 1.00 0.00 C ATOM 0 H VAL A 540 19.145 16.005 -25.321 1.00 0.00 H new ATOM 0 HA VAL A 540 16.996 15.817 -27.336 1.00 0.00 H new ATOM 0 HB VAL A 540 17.326 14.282 -24.770 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.124 13.188 -25.306 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.971 14.938 -25.020 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.942 14.303 -26.682 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.093 12.213 -26.179 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.074 13.242 -27.631 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.527 13.178 -26.605 1.00 0.00 H new ATOM 409 N ASP A 541 15.813 17.589 -26.045 1.00 0.00 N ATOM 410 CA ASP A 541 15.095 18.683 -25.394 1.00 0.00 C ATOM 411 C ASP A 541 13.608 18.321 -25.239 1.00 0.00 C ATOM 412 O ASP A 541 12.875 18.169 -26.218 1.00 0.00 O ATOM 413 CB ASP A 541 15.289 19.972 -26.202 1.00 0.00 C ATOM 414 CG ASP A 541 14.480 21.112 -25.578 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.984 21.783 -24.649 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.304 21.286 -25.961 1.00 0.00 O ATOM 0 H ASP A 541 15.546 17.465 -27.022 1.00 0.00 H new ATOM 0 HA ASP A 541 15.495 18.848 -24.394 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.346 20.238 -26.229 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.974 19.815 -27.234 1.00 0.00 H new ATOM 421 N HIS A 542 13.152 18.167 -23.992 1.00 0.00 N ATOM 422 CA HIS A 542 11.749 17.854 -23.678 1.00 0.00 C ATOM 423 C HIS A 542 10.802 19.061 -23.821 1.00 0.00 C ATOM 424 O HIS A 542 9.585 18.885 -23.872 1.00 0.00 O ATOM 425 CB HIS A 542 11.662 17.289 -22.250 1.00 0.00 C ATOM 426 CG HIS A 542 12.515 16.069 -21.977 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.103 15.768 -20.745 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.810 15.067 -22.859 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.739 14.596 -20.912 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.586 14.157 -22.173 1.00 0.00 N ATOM 0 H HIS A 542 13.745 18.256 -23.167 1.00 0.00 H new ATOM 0 HA HIS A 542 11.418 17.116 -24.408 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.947 18.074 -21.550 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.622 17.038 -22.041 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.497 15.001 -23.890 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.294 14.080 -20.142 1.00 0.00 H new ATOM 0 HE2 HIS A 542 13.977 13.297 -22.557 1.00 0.00 H new ATOM 437 N ASN A 543 11.341 20.283 -23.881 1.00 0.00 N ATOM 438 CA ASN A 543 10.578 21.537 -23.895 1.00 0.00 C ATOM 439 C ASN A 543 9.882 21.805 -25.249 1.00 0.00 C ATOM 440 O ASN A 543 8.777 22.355 -25.269 1.00 0.00 O ATOM 441 CB ASN A 543 11.511 22.697 -23.491 1.00 0.00 C ATOM 442 CG ASN A 543 12.262 22.415 -22.197 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.705 22.452 -21.107 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.533 22.091 -22.272 1.00 0.00 N ATOM 0 H ASN A 543 12.349 20.432 -23.922 1.00 0.00 H new ATOM 0 HA ASN A 543 9.769 21.452 -23.170 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.228 22.879 -24.292 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.924 23.608 -23.376 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.054 21.871 -21.423 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.999 22.060 -23.179 1.00 0.00 H new ATOM 451 N THR A 544 10.481 21.372 -26.366 1.00 0.00 N ATOM 452 CA THR A 544 9.928 21.477 -27.739 1.00 0.00 C ATOM 453 C THR A 544 10.023 20.167 -28.543 1.00 0.00 C ATOM 454 O THR A 544 9.717 20.145 -29.739 1.00 0.00 O ATOM 455 CB THR A 544 10.584 22.623 -28.536 1.00 0.00 C ATOM 456 OG1 THR A 544 11.949 22.349 -28.775 1.00 0.00 O ATOM 457 CG2 THR A 544 10.492 23.978 -27.831 1.00 0.00 C ATOM 0 H THR A 544 11.396 20.922 -26.347 1.00 0.00 H new ATOM 0 HA THR A 544 8.870 21.697 -27.599 1.00 0.00 H new ATOM 0 HB THR A 544 10.028 22.683 -29.471 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.376 22.063 -27.941 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.972 24.741 -28.444 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.445 24.240 -27.681 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.994 23.920 -26.865 1.00 0.00 H new ATOM 465 N ARG A 545 10.428 19.062 -27.894 1.00 0.00 N ATOM 466 CA ARG A 545 10.640 17.707 -28.458 1.00 0.00 C ATOM 467 C ARG A 545 11.811 17.597 -29.457 1.00 0.00 C ATOM 468 O ARG A 545 11.990 16.548 -30.079 1.00 0.00 O ATOM 469 CB ARG A 545 9.309 17.143 -29.011 1.00 0.00 C ATOM 470 CG ARG A 545 9.179 15.621 -28.825 1.00 0.00 C ATOM 471 CD ARG A 545 7.838 15.083 -29.342 1.00 0.00 C ATOM 472 NE ARG A 545 7.803 14.971 -30.815 1.00 0.00 N ATOM 473 CZ ARG A 545 6.858 15.360 -31.649 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.824 16.067 -31.285 1.00 0.00 N ATOM 475 NH2 ARG A 545 6.956 15.014 -32.896 1.00 0.00 N ATOM 0 H ARG A 545 10.631 19.088 -26.895 1.00 0.00 H new ATOM 0 HA ARG A 545 10.963 17.074 -27.631 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.476 17.637 -28.512 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.232 17.382 -30.072 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.994 15.122 -29.349 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.283 15.376 -27.768 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.649 14.104 -28.902 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.034 15.741 -29.012 1.00 0.00 H new ATOM 0 HE ARG A 545 8.619 14.534 -31.244 1.00 0.00 H new ATOM 0 HH11 ARG A 545 5.716 16.348 -30.310 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.124 16.339 -31.975 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.750 14.455 -33.209 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.239 15.301 -33.563 1.00 0.00 H new ATOM 489 N ARG A 546 12.608 18.661 -29.630 1.00 0.00 N ATOM 490 CA ARG A 546 13.788 18.685 -30.516 1.00 0.00 C ATOM 491 C ARG A 546 14.949 17.821 -30.005 1.00 0.00 C ATOM 492 O ARG A 546 15.034 17.469 -28.828 1.00 0.00 O ATOM 493 CB ARG A 546 14.252 20.136 -30.746 1.00 0.00 C ATOM 494 CG ARG A 546 13.341 20.876 -31.741 1.00 0.00 C ATOM 495 CD ARG A 546 13.992 22.160 -32.276 1.00 0.00 C ATOM 496 NE ARG A 546 15.157 21.862 -33.140 1.00 0.00 N ATOM 497 CZ ARG A 546 15.953 22.731 -33.737 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.766 24.018 -33.651 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.966 22.315 -34.441 1.00 0.00 N ATOM 0 H ARG A 546 12.450 19.547 -29.150 1.00 0.00 H new ATOM 0 HA ARG A 546 13.476 18.247 -31.464 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.261 20.670 -29.796 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.275 20.135 -31.121 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.104 20.216 -32.575 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.398 21.124 -31.253 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.257 22.733 -32.841 1.00 0.00 H new ATOM 0 HD3 ARG A 546 14.309 22.784 -31.440 1.00 0.00 H new ATOM 0 HE ARG A 546 15.369 20.876 -33.291 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.984 24.385 -33.109 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.402 24.659 -34.126 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.147 21.315 -34.533 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.579 22.989 -34.901 1.00 0.00 H new ATOM 513 N THR A 547 15.877 17.528 -30.911 1.00 0.00 N ATOM 514 CA THR A 547 17.105 16.749 -30.679 1.00 0.00 C ATOM 515 C THR A 547 18.263 17.303 -31.520 1.00 0.00 C ATOM 516 O THR A 547 18.041 18.029 -32.495 1.00 0.00 O ATOM 517 CB THR A 547 16.886 15.263 -31.017 1.00 0.00 C ATOM 518 OG1 THR A 547 16.435 15.125 -32.349 1.00 0.00 O ATOM 519 CG2 THR A 547 15.842 14.596 -30.119 1.00 0.00 C ATOM 0 H THR A 547 15.796 17.840 -31.879 1.00 0.00 H new ATOM 0 HA THR A 547 17.358 16.835 -29.622 1.00 0.00 H new ATOM 0 HB THR A 547 17.850 14.779 -30.864 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.150 14.200 -32.504 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.731 13.550 -30.405 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.165 14.656 -29.080 1.00 0.00 H new ATOM 0 HG23 THR A 547 14.886 15.106 -30.232 1.00 0.00 H new ATOM 527 N THR A 548 19.511 17.001 -31.142 1.00 0.00 N ATOM 528 CA THR A 548 20.720 17.521 -31.815 1.00 0.00 C ATOM 529 C THR A 548 21.968 16.657 -31.560 1.00 0.00 C ATOM 530 O THR A 548 22.008 15.834 -30.639 1.00 0.00 O ATOM 531 CB THR A 548 20.949 19.002 -31.440 1.00 0.00 C ATOM 532 OG1 THR A 548 22.099 19.517 -32.078 1.00 0.00 O ATOM 533 CG2 THR A 548 21.104 19.243 -29.941 1.00 0.00 C ATOM 0 H THR A 548 19.718 16.385 -30.356 1.00 0.00 H new ATOM 0 HA THR A 548 20.544 17.464 -32.889 1.00 0.00 H new ATOM 0 HB THR A 548 20.048 19.514 -31.778 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.220 20.456 -31.825 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.261 20.306 -29.758 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.202 18.915 -29.425 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.960 18.680 -29.569 1.00 0.00 H new ATOM 541 N PHE A 549 22.984 16.832 -32.411 1.00 0.00 N ATOM 542 CA PHE A 549 24.250 16.084 -32.429 1.00 0.00 C ATOM 543 C PHE A 549 25.345 16.710 -31.536 1.00 0.00 C ATOM 544 O PHE A 549 26.413 16.121 -31.357 1.00 0.00 O ATOM 545 CB PHE A 549 24.763 16.020 -33.883 1.00 0.00 C ATOM 546 CG PHE A 549 23.744 15.699 -34.972 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.736 14.738 -34.763 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.812 16.365 -36.212 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.800 14.451 -35.773 1.00 0.00 C ATOM 550 CE2 PHE A 549 22.878 16.079 -37.225 1.00 0.00 C ATOM 551 CZ PHE A 549 21.871 15.123 -37.006 1.00 0.00 C ATOM 0 H PHE A 549 22.945 17.537 -33.147 1.00 0.00 H new ATOM 0 HA PHE A 549 24.045 15.091 -32.028 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.220 16.980 -34.122 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.553 15.270 -33.929 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.681 14.217 -33.819 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.585 17.099 -36.386 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.028 13.716 -35.602 1.00 0.00 H new ATOM 0 HE2 PHE A 549 22.935 16.595 -38.172 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.153 14.905 -37.783 1.00 0.00 H new ATOM 561 N GLU A 550 25.105 17.909 -31.000 1.00 0.00 N ATOM 562 CA GLU A 550 26.074 18.736 -30.260 1.00 0.00 C ATOM 563 C GLU A 550 25.404 19.496 -29.092 1.00 0.00 C ATOM 564 O GLU A 550 24.267 19.199 -28.729 1.00 0.00 O ATOM 565 CB GLU A 550 26.806 19.668 -31.252 1.00 0.00 C ATOM 566 CG GLU A 550 25.919 20.739 -31.909 1.00 0.00 C ATOM 567 CD GLU A 550 26.717 21.551 -32.949 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.440 22.500 -32.559 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.625 21.252 -34.165 1.00 0.00 O ATOM 0 H GLU A 550 24.190 18.354 -31.071 1.00 0.00 H new ATOM 0 HA GLU A 550 26.819 18.093 -29.791 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.622 20.165 -30.727 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.256 19.059 -32.036 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.064 20.264 -32.390 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.523 21.408 -31.145 1.00 0.00 H new ATOM 756 N PRO B2325 18.827 7.735 -35.394 1.00 0.00 N ATOM 757 CA PRO B2325 18.077 8.956 -35.106 1.00 0.00 C ATOM 758 C PRO B2325 17.729 9.055 -33.604 1.00 0.00 C ATOM 759 O PRO B2325 17.127 8.122 -33.059 1.00 0.00 O ATOM 760 CB PRO B2325 16.825 8.877 -35.986 1.00 0.00 C ATOM 761 CG PRO B2325 16.595 7.377 -36.171 1.00 0.00 C ATOM 762 CD PRO B2325 18.009 6.798 -36.153 1.00 0.00 C ATOM 0 HA PRO B2325 18.655 9.854 -35.325 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.970 9.356 -35.508 1.00 0.00 H new ATOM 0 HB3 PRO B2325 16.977 9.378 -36.942 1.00 0.00 H new ATOM 0 HG2 PRO B2325 15.981 6.963 -35.371 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.084 7.161 -37.109 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.019 5.811 -35.691 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.393 6.679 -37.166 1.00 0.00 H new ATOM 770 N PRO B2326 18.070 10.161 -32.909 1.00 0.00 N ATOM 771 CA PRO B2326 17.639 10.391 -31.531 1.00 0.00 C ATOM 772 C PRO B2326 16.134 10.701 -31.479 1.00 0.00 C ATOM 773 O PRO B2326 15.662 11.666 -32.087 1.00 0.00 O ATOM 774 CB PRO B2326 18.500 11.551 -31.025 1.00 0.00 C ATOM 775 CG PRO B2326 18.823 12.338 -32.295 1.00 0.00 C ATOM 776 CD PRO B2326 18.908 11.260 -33.372 1.00 0.00 C ATOM 0 HA PRO B2326 17.772 9.513 -30.898 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.963 12.163 -30.300 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.405 11.194 -30.533 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.048 13.071 -32.521 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.761 12.885 -32.200 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.558 11.639 -34.332 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.938 10.932 -33.515 1.00 0.00 H new ATOM 784 N SER B2327 15.378 9.878 -30.745 1.00 0.00 N ATOM 785 CA SER B2327 13.907 9.927 -30.678 1.00 0.00 C ATOM 786 C SER B2327 13.404 9.422 -29.318 1.00 0.00 C ATOM 787 O SER B2327 13.011 8.264 -29.181 1.00 0.00 O ATOM 788 CB SER B2327 13.271 9.111 -31.823 1.00 0.00 C ATOM 789 OG SER B2327 13.713 9.533 -33.105 1.00 0.00 O ATOM 0 H SER B2327 15.778 9.140 -30.166 1.00 0.00 H new ATOM 0 HA SER B2327 13.605 10.968 -30.793 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.511 8.056 -31.689 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.186 9.201 -31.769 1.00 0.00 H new ATOM 0 HG SER B2327 13.284 8.986 -33.795 1.00 0.00 H new ATOM 795 N TYR B2328 13.465 10.273 -28.287 1.00 0.00 N ATOM 796 CA TYR B2328 12.988 9.952 -26.933 1.00 0.00 C ATOM 797 C TYR B2328 11.459 10.150 -26.834 1.00 0.00 C ATOM 798 O TYR B2328 10.696 9.259 -27.212 1.00 0.00 O ATOM 799 CB TYR B2328 13.803 10.778 -25.922 1.00 0.00 C ATOM 800 CG TYR B2328 13.585 10.416 -24.464 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.173 9.249 -23.939 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.819 11.251 -23.627 1.00 0.00 C ATOM 803 CE1 TYR B2328 13.987 8.911 -22.584 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.622 10.912 -22.274 1.00 0.00 C ATOM 805 CZ TYR B2328 13.206 9.738 -21.748 1.00 0.00 C ATOM 806 OH TYR B2328 13.021 9.400 -20.442 1.00 0.00 O ATOM 0 H TYR B2328 13.851 11.214 -28.368 1.00 0.00 H new ATOM 0 HA TYR B2328 13.150 8.901 -26.696 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.862 10.663 -26.154 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.559 11.832 -26.058 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.768 8.612 -24.577 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.381 12.155 -24.024 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.443 8.017 -22.184 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.025 11.549 -21.639 1.00 0.00 H new ATOM 0 HH TYR B2328 12.460 10.075 -20.006 1.00 0.00 H new ATOM 816 N GLU B2329 10.990 11.341 -26.438 1.00 0.00 N ATOM 817 CA GLU B2329 9.562 11.718 -26.426 1.00 0.00 C ATOM 818 C GLU B2329 8.915 11.628 -27.819 1.00 0.00 C ATOM 819 O GLU B2329 7.717 11.384 -27.931 1.00 0.00 O ATOM 820 CB GLU B2329 9.405 13.148 -25.874 1.00 0.00 C ATOM 821 CG GLU B2329 9.442 13.232 -24.341 1.00 0.00 C ATOM 822 CD GLU B2329 8.043 13.043 -23.717 1.00 0.00 C ATOM 823 OE1 GLU B2329 7.474 11.930 -23.811 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.505 14.009 -23.124 1.00 0.00 O ATOM 0 H GLU B2329 11.602 12.088 -26.109 1.00 0.00 H new ATOM 0 HA GLU B2329 9.047 11.006 -25.782 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.199 13.773 -26.281 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.461 13.562 -26.228 1.00 0.00 H new ATOM 0 HG2 GLU B2329 10.118 12.470 -23.953 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.845 14.199 -24.041 1.00 0.00 H new ATOM 831 N ASP B2330 9.706 11.783 -28.886 1.00 0.00 N ATOM 832 CA ASP B2330 9.273 11.612 -30.279 1.00 0.00 C ATOM 833 C ASP B2330 8.868 10.163 -30.636 1.00 0.00 C ATOM 834 O ASP B2330 8.127 9.952 -31.597 1.00 0.00 O ATOM 835 CB ASP B2330 10.401 12.108 -31.193 1.00 0.00 C ATOM 836 CG ASP B2330 9.912 12.353 -32.628 1.00 0.00 C ATOM 837 OD1 ASP B2330 9.147 13.329 -32.822 1.00 0.00 O ATOM 838 OD2 ASP B2330 10.308 11.604 -33.551 1.00 0.00 O ATOM 0 H ASP B2330 10.690 12.037 -28.804 1.00 0.00 H new ATOM 0 HA ASP B2330 8.366 12.199 -30.423 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.816 13.031 -30.789 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.207 11.375 -31.205 1.00 0.00 H new ATOM 843 N CYS B2331 9.309 9.171 -29.849 1.00 0.00 N ATOM 844 CA CYS B2331 8.988 7.750 -30.036 1.00 0.00 C ATOM 845 C CYS B2331 7.988 7.235 -28.984 1.00 0.00 C ATOM 846 O CYS B2331 7.029 6.545 -29.337 1.00 0.00 O ATOM 847 CB CYS B2331 10.301 6.955 -29.996 1.00 0.00 C ATOM 848 SG CYS B2331 10.011 5.211 -30.412 1.00 0.00 S ATOM 0 H CYS B2331 9.914 9.340 -29.045 1.00 0.00 H new ATOM 0 HA CYS B2331 8.499 7.617 -31.001 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.015 7.387 -30.697 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.746 7.028 -29.003 1.00 0.00 H new ATOM 0 HG CYS B2331 11.137 4.562 -30.373 1.00 0.00 H new ATOM 854 N ILE B2332 8.155 7.602 -27.704 1.00 0.00 N ATOM 855 CA ILE B2332 7.322 7.099 -26.589 1.00 0.00 C ATOM 856 C ILE B2332 5.963 7.826 -26.416 1.00 0.00 C ATOM 857 O ILE B2332 5.359 7.754 -25.342 1.00 0.00 O ATOM 858 CB ILE B2332 8.124 7.023 -25.264 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.531 8.399 -24.692 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.359 6.115 -25.420 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.608 8.388 -23.160 1.00 0.00 C ATOM 0 H ILE B2332 8.875 8.260 -27.407 1.00 0.00 H new ATOM 0 HA ILE B2332 7.049 6.083 -26.873 1.00 0.00 H new ATOM 0 HB ILE B2332 7.442 6.586 -24.535 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.499 8.689 -25.101 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.811 9.152 -25.013 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.905 6.078 -24.477 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.039 5.110 -25.694 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.008 6.514 -26.200 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.898 9.376 -22.803 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.634 8.125 -22.749 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.348 7.655 -22.838 1.00 0.00 H new