USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 275 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 THR OG1 : rot 160:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0.0684 X(o=0.068,f=-0.43) USER MOD Single : A 543 ASN : amide:sc= 1.13 K(o=1.1,f=-0.011) USER MOD Single : A 544 THR OG1 : rot -43:sc= 0.0231 USER MOD Single : A 547 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : B2327 SER OG : rot 19:sc= 0.661 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 24.084 17.270 -14.333 1.00 0.00 N ATOM 117 CA LEU A 523 23.440 17.307 -15.655 1.00 0.00 C ATOM 118 C LEU A 523 23.036 18.742 -16.101 1.00 0.00 C ATOM 119 O LEU A 523 22.816 19.608 -15.244 1.00 0.00 O ATOM 120 CB LEU A 523 22.272 16.290 -15.684 1.00 0.00 C ATOM 121 CG LEU A 523 20.912 16.760 -15.110 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.803 16.571 -16.147 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.521 15.969 -13.861 1.00 0.00 C ATOM 0 HA LEU A 523 24.169 17.003 -16.406 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.115 15.985 -16.719 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.583 15.402 -15.133 1.00 0.00 H new ATOM 0 HG LEU A 523 21.026 17.813 -14.852 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.853 16.906 -15.729 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.034 17.156 -17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.730 15.517 -16.414 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.562 16.328 -13.488 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.440 14.911 -14.111 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.282 16.103 -13.092 1.00 0.00 H new ATOM 135 N PRO A 524 22.912 19.015 -17.417 1.00 0.00 N ATOM 136 CA PRO A 524 22.490 20.321 -17.945 1.00 0.00 C ATOM 137 C PRO A 524 21.007 20.661 -17.649 1.00 0.00 C ATOM 138 O PRO A 524 20.189 19.759 -17.442 1.00 0.00 O ATOM 139 CB PRO A 524 22.780 20.263 -19.451 1.00 0.00 C ATOM 140 CG PRO A 524 22.741 18.774 -19.777 1.00 0.00 C ATOM 141 CD PRO A 524 23.276 18.123 -18.507 1.00 0.00 C ATOM 0 HA PRO A 524 23.038 21.125 -17.454 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.035 20.816 -20.023 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.751 20.698 -19.688 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.729 18.439 -20.006 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.359 18.535 -20.643 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.842 17.133 -18.363 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.357 17.993 -18.561 1.00 0.00 H new ATOM 149 N PRO A 525 20.629 21.957 -17.643 1.00 0.00 N ATOM 150 CA PRO A 525 19.315 22.427 -17.188 1.00 0.00 C ATOM 151 C PRO A 525 18.178 22.076 -18.164 1.00 0.00 C ATOM 152 O PRO A 525 18.111 22.606 -19.274 1.00 0.00 O ATOM 153 CB PRO A 525 19.469 23.945 -17.017 1.00 0.00 C ATOM 154 CG PRO A 525 20.566 24.313 -18.015 1.00 0.00 C ATOM 155 CD PRO A 525 21.483 23.093 -17.973 1.00 0.00 C ATOM 0 HA PRO A 525 19.028 21.935 -16.258 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.538 24.469 -17.234 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.751 24.206 -15.997 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.164 24.483 -19.014 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.090 25.223 -17.723 1.00 0.00 H new ATOM 0 HD2 PRO A 525 21.977 22.943 -18.933 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.268 23.221 -17.227 1.00 0.00 H new ATOM 163 N GLY A 526 17.251 21.207 -17.744 1.00 0.00 N ATOM 164 CA GLY A 526 16.064 20.832 -18.532 1.00 0.00 C ATOM 165 C GLY A 526 16.367 20.079 -19.839 1.00 0.00 C ATOM 166 O GLY A 526 15.575 20.144 -20.783 1.00 0.00 O ATOM 0 H GLY A 526 17.301 20.738 -16.839 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.416 20.211 -17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.504 21.736 -18.772 1.00 0.00 H new ATOM 170 N TRP A 527 17.499 19.371 -19.890 1.00 0.00 N ATOM 171 CA TRP A 527 17.987 18.587 -21.033 1.00 0.00 C ATOM 172 C TRP A 527 18.167 17.107 -20.651 1.00 0.00 C ATOM 173 O TRP A 527 18.312 16.753 -19.479 1.00 0.00 O ATOM 174 CB TRP A 527 19.332 19.170 -21.513 1.00 0.00 C ATOM 175 CG TRP A 527 19.282 20.303 -22.495 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.374 21.617 -22.190 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.206 20.244 -23.955 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.327 22.372 -23.346 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.231 21.576 -24.468 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.142 19.199 -24.902 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.180 21.858 -25.842 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.076 19.467 -26.284 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.097 20.792 -26.756 1.00 0.00 C ATOM 0 H TRP A 527 18.135 19.326 -19.094 1.00 0.00 H new ATOM 0 HA TRP A 527 17.251 18.643 -21.835 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.885 19.508 -20.636 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.909 18.361 -21.961 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.470 22.017 -21.191 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.359 23.391 -23.367 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.144 18.174 -24.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.204 22.879 -26.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.009 18.649 -26.986 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.050 20.990 -27.817 1.00 0.00 H new ATOM 194 N GLU A 528 18.221 16.246 -21.664 1.00 0.00 N ATOM 195 CA GLU A 528 18.534 14.817 -21.569 1.00 0.00 C ATOM 196 C GLU A 528 19.617 14.463 -22.607 1.00 0.00 C ATOM 197 O GLU A 528 19.748 15.126 -23.639 1.00 0.00 O ATOM 198 CB GLU A 528 17.222 14.021 -21.729 1.00 0.00 C ATOM 199 CG GLU A 528 17.345 12.496 -21.859 1.00 0.00 C ATOM 200 CD GLU A 528 17.862 11.846 -20.561 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.060 12.018 -20.237 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.073 11.170 -19.858 1.00 0.00 O ATOM 0 H GLU A 528 18.039 16.538 -22.624 1.00 0.00 H new ATOM 0 HA GLU A 528 18.951 14.552 -20.597 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.587 14.238 -20.870 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.704 14.396 -22.611 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.373 12.074 -22.113 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.021 12.255 -22.679 1.00 0.00 H new ATOM 209 N ILE A 529 20.431 13.447 -22.315 1.00 0.00 N ATOM 210 CA ILE A 529 21.654 13.101 -23.052 1.00 0.00 C ATOM 211 C ILE A 529 21.758 11.577 -23.132 1.00 0.00 C ATOM 212 O ILE A 529 21.734 10.889 -22.107 1.00 0.00 O ATOM 213 CB ILE A 529 22.936 13.693 -22.402 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.787 15.137 -21.867 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.069 13.663 -23.442 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.275 15.190 -20.420 1.00 0.00 C ATOM 0 H ILE A 529 20.253 12.818 -21.532 1.00 0.00 H new ATOM 0 HA ILE A 529 21.585 13.537 -24.048 1.00 0.00 H new ATOM 0 HB ILE A 529 23.151 13.073 -21.532 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.752 15.641 -21.924 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.101 15.688 -22.510 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.977 14.075 -23.003 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.251 12.634 -23.752 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.783 14.258 -24.309 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.191 16.229 -20.101 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.297 14.713 -20.363 1.00 0.00 H new ATOM 0 HD13 ILE A 529 22.973 14.666 -19.768 1.00 0.00 H new ATOM 228 N ARG A 530 21.851 11.041 -24.352 1.00 0.00 N ATOM 229 CA ARG A 530 21.777 9.599 -24.639 1.00 0.00 C ATOM 230 C ARG A 530 22.937 9.158 -25.533 1.00 0.00 C ATOM 231 O ARG A 530 23.518 9.960 -26.267 1.00 0.00 O ATOM 232 CB ARG A 530 20.408 9.262 -25.269 1.00 0.00 C ATOM 233 CG ARG A 530 19.192 9.506 -24.344 1.00 0.00 C ATOM 234 CD ARG A 530 18.493 8.218 -23.885 1.00 0.00 C ATOM 235 NE ARG A 530 19.322 7.417 -22.959 1.00 0.00 N ATOM 236 CZ ARG A 530 19.157 6.139 -22.659 1.00 0.00 C ATOM 237 NH1 ARG A 530 18.215 5.414 -23.196 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.942 5.552 -21.802 1.00 0.00 N ATOM 0 H ARG A 530 21.983 11.608 -25.190 1.00 0.00 H new ATOM 0 HA ARG A 530 21.868 9.045 -23.705 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.284 9.857 -26.174 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.411 8.215 -25.573 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.521 10.062 -23.466 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.470 10.133 -24.867 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.553 8.474 -23.396 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.244 7.614 -24.758 1.00 0.00 H new ATOM 0 HE ARG A 530 20.099 7.898 -22.506 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.574 5.830 -23.872 1.00 0.00 H new ATOM 0 HH12 ARG A 530 18.119 4.431 -22.940 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.693 6.078 -21.355 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.806 4.566 -21.578 1.00 0.00 H new ATOM 252 N TYR A 531 23.256 7.868 -25.465 1.00 0.00 N ATOM 253 CA TYR A 531 24.448 7.259 -26.057 1.00 0.00 C ATOM 254 C TYR A 531 24.023 6.052 -26.905 1.00 0.00 C ATOM 255 O TYR A 531 23.811 4.951 -26.388 1.00 0.00 O ATOM 256 CB TYR A 531 25.454 6.873 -24.957 1.00 0.00 C ATOM 257 CG TYR A 531 26.039 8.029 -24.158 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.293 8.625 -23.121 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.352 8.473 -24.415 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.850 9.663 -22.350 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.924 9.493 -23.628 1.00 0.00 C ATOM 262 CZ TYR A 531 27.172 10.089 -22.590 1.00 0.00 C ATOM 263 OH TYR A 531 27.710 11.076 -21.823 1.00 0.00 O ATOM 0 H TYR A 531 22.670 7.191 -24.978 1.00 0.00 H new ATOM 0 HA TYR A 531 24.952 7.973 -26.709 1.00 0.00 H new ATOM 0 HB2 TYR A 531 24.962 6.190 -24.265 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.274 6.323 -25.418 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.289 8.284 -22.917 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.922 8.030 -25.218 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.264 10.133 -21.574 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.936 9.819 -23.818 1.00 0.00 H new ATOM 0 HH TYR A 531 28.629 11.253 -22.115 1.00 0.00 H new ATOM 273 N THR A 532 23.807 6.276 -28.202 1.00 0.00 N ATOM 274 CA THR A 532 23.342 5.249 -29.151 1.00 0.00 C ATOM 275 C THR A 532 24.391 4.149 -29.350 1.00 0.00 C ATOM 276 O THR A 532 25.594 4.426 -29.382 1.00 0.00 O ATOM 277 CB THR A 532 22.987 5.877 -30.511 1.00 0.00 C ATOM 278 OG1 THR A 532 24.029 6.698 -30.986 1.00 0.00 O ATOM 279 CG2 THR A 532 21.733 6.748 -30.429 1.00 0.00 C ATOM 0 H THR A 532 23.951 7.188 -28.635 1.00 0.00 H new ATOM 0 HA THR A 532 22.447 4.798 -28.721 1.00 0.00 H new ATOM 0 HB THR A 532 22.818 5.039 -31.187 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.933 6.822 -31.953 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.519 7.171 -31.410 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.889 6.140 -30.104 1.00 0.00 H new ATOM 0 HG23 THR A 532 21.896 7.554 -29.714 1.00 0.00 H new ATOM 287 N ALA A 533 23.949 2.900 -29.544 1.00 0.00 N ATOM 288 CA ALA A 533 24.827 1.727 -29.680 1.00 0.00 C ATOM 289 C ALA A 533 25.806 1.783 -30.880 1.00 0.00 C ATOM 290 O ALA A 533 26.788 1.038 -30.914 1.00 0.00 O ATOM 291 CB ALA A 533 23.954 0.466 -29.714 1.00 0.00 C ATOM 0 H ALA A 533 22.957 2.671 -29.612 1.00 0.00 H new ATOM 0 HA ALA A 533 25.486 1.713 -28.812 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.589 -0.414 -29.815 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.380 0.396 -28.790 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.271 0.519 -30.562 1.00 0.00 H new ATOM 297 N ALA A 534 25.582 2.695 -31.835 1.00 0.00 N ATOM 298 CA ALA A 534 26.524 3.060 -32.897 1.00 0.00 C ATOM 299 C ALA A 534 27.849 3.694 -32.397 1.00 0.00 C ATOM 300 O ALA A 534 28.782 3.858 -33.188 1.00 0.00 O ATOM 301 CB ALA A 534 25.794 4.008 -33.860 1.00 0.00 C ATOM 0 H ALA A 534 24.707 3.217 -31.890 1.00 0.00 H new ATOM 0 HA ALA A 534 26.836 2.141 -33.393 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.469 4.300 -34.665 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.925 3.501 -34.281 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.469 4.897 -33.319 1.00 0.00 H new ATOM 307 N GLY A 535 27.946 4.061 -31.112 1.00 0.00 N ATOM 308 CA GLY A 535 29.145 4.653 -30.502 1.00 0.00 C ATOM 309 C GLY A 535 29.167 6.183 -30.575 1.00 0.00 C ATOM 310 O GLY A 535 30.217 6.776 -30.827 1.00 0.00 O ATOM 0 H GLY A 535 27.176 3.952 -30.452 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.203 4.345 -29.458 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.031 4.259 -31.001 1.00 0.00 H new ATOM 314 N GLU A 536 28.009 6.824 -30.396 1.00 0.00 N ATOM 315 CA GLU A 536 27.809 8.276 -30.533 1.00 0.00 C ATOM 316 C GLU A 536 26.944 8.830 -29.389 1.00 0.00 C ATOM 317 O GLU A 536 26.157 8.100 -28.781 1.00 0.00 O ATOM 318 CB GLU A 536 27.116 8.595 -31.873 1.00 0.00 C ATOM 319 CG GLU A 536 27.861 8.167 -33.147 1.00 0.00 C ATOM 320 CD GLU A 536 29.141 8.963 -33.477 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.590 9.822 -32.681 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.692 8.728 -34.582 1.00 0.00 O ATOM 0 H GLU A 536 27.152 6.332 -30.143 1.00 0.00 H new ATOM 0 HA GLU A 536 28.792 8.746 -30.497 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.136 8.117 -31.873 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.946 9.671 -31.922 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.125 7.114 -33.054 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.176 8.251 -33.991 1.00 0.00 H new ATOM 329 N ARG A 537 27.055 10.139 -29.130 1.00 0.00 N ATOM 330 CA ARG A 537 26.258 10.878 -28.138 1.00 0.00 C ATOM 331 C ARG A 537 25.331 11.875 -28.836 1.00 0.00 C ATOM 332 O ARG A 537 25.733 12.554 -29.781 1.00 0.00 O ATOM 333 CB ARG A 537 27.204 11.544 -27.117 1.00 0.00 C ATOM 334 CG ARG A 537 26.538 12.628 -26.244 1.00 0.00 C ATOM 335 CD ARG A 537 27.311 12.950 -24.956 1.00 0.00 C ATOM 336 NE ARG A 537 28.771 13.088 -25.155 1.00 0.00 N ATOM 337 CZ ARG A 537 29.474 14.201 -25.260 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.915 15.376 -25.293 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.774 14.152 -25.333 1.00 0.00 N ATOM 0 H ARG A 537 27.723 10.734 -29.620 1.00 0.00 H new ATOM 0 HA ARG A 537 25.612 10.194 -27.587 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.617 10.773 -26.466 1.00 0.00 H new ATOM 0 HB3 ARG A 537 28.041 11.990 -27.653 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.433 13.540 -26.831 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.532 12.301 -25.981 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.922 13.876 -24.532 1.00 0.00 H new ATOM 0 HD3 ARG A 537 27.126 12.162 -24.226 1.00 0.00 H new ATOM 0 HE ARG A 537 29.299 12.217 -25.219 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.900 15.460 -25.237 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.492 16.213 -25.375 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.253 13.252 -25.309 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.313 15.014 -25.414 1.00 0.00 H new ATOM 353 N PHE A 538 24.108 11.980 -28.326 1.00 0.00 N ATOM 354 CA PHE A 538 23.072 12.906 -28.781 1.00 0.00 C ATOM 355 C PHE A 538 22.380 13.565 -27.582 1.00 0.00 C ATOM 356 O PHE A 538 22.350 13.017 -26.476 1.00 0.00 O ATOM 357 CB PHE A 538 22.040 12.152 -29.636 1.00 0.00 C ATOM 358 CG PHE A 538 22.546 11.651 -30.977 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.475 12.484 -32.111 1.00 0.00 C ATOM 360 CD2 PHE A 538 23.052 10.343 -31.106 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.892 12.008 -33.367 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.478 9.871 -32.361 1.00 0.00 C ATOM 363 CZ PHE A 538 23.397 10.702 -33.491 1.00 0.00 C ATOM 0 H PHE A 538 23.796 11.397 -27.549 1.00 0.00 H new ATOM 0 HA PHE A 538 23.537 13.686 -29.385 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.673 11.300 -29.064 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.188 12.809 -29.811 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.099 13.492 -32.015 1.00 0.00 H new ATOM 0 HD2 PHE A 538 23.113 9.701 -30.240 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.824 12.646 -34.236 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.868 8.868 -32.456 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.722 10.338 -34.454 1.00 0.00 H new ATOM 373 N PHE A 539 21.780 14.726 -27.825 1.00 0.00 N ATOM 374 CA PHE A 539 21.065 15.528 -26.837 1.00 0.00 C ATOM 375 C PHE A 539 19.584 15.644 -27.217 1.00 0.00 C ATOM 376 O PHE A 539 19.213 15.633 -28.396 1.00 0.00 O ATOM 377 CB PHE A 539 21.711 16.916 -26.736 1.00 0.00 C ATOM 378 CG PHE A 539 23.141 16.950 -26.227 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.219 16.742 -27.110 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.397 17.259 -24.878 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.544 16.861 -26.651 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.721 17.379 -24.418 1.00 0.00 C ATOM 383 CZ PHE A 539 25.794 17.192 -25.307 1.00 0.00 C ATOM 0 H PHE A 539 21.778 15.151 -28.752 1.00 0.00 H new ATOM 0 HA PHE A 539 21.127 15.040 -25.864 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.687 17.379 -27.723 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.098 17.533 -26.079 1.00 0.00 H new ATOM 0 HD1 PHE A 539 24.028 16.490 -28.143 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.574 17.404 -24.194 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.368 16.698 -27.330 1.00 0.00 H new ATOM 0 HE2 PHE A 539 24.913 17.615 -23.382 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.810 17.302 -24.958 1.00 0.00 H new ATOM 393 N VAL A 540 18.741 15.767 -26.195 1.00 0.00 N ATOM 394 CA VAL A 540 17.280 15.666 -26.249 1.00 0.00 C ATOM 395 C VAL A 540 16.677 16.789 -25.403 1.00 0.00 C ATOM 396 O VAL A 540 16.982 16.918 -24.216 1.00 0.00 O ATOM 397 CB VAL A 540 16.839 14.297 -25.687 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.316 14.162 -25.588 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.363 13.100 -26.494 1.00 0.00 C ATOM 0 H VAL A 540 19.077 15.951 -25.250 1.00 0.00 H new ATOM 0 HA VAL A 540 16.937 15.756 -27.280 1.00 0.00 H new ATOM 0 HB VAL A 540 17.282 14.274 -24.691 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.063 13.181 -25.187 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.924 14.936 -24.928 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.876 14.274 -26.579 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.013 12.173 -26.039 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.996 13.163 -27.518 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.453 13.113 -26.498 1.00 0.00 H new ATOM 409 N ASP A 541 15.786 17.573 -26.000 1.00 0.00 N ATOM 410 CA ASP A 541 15.056 18.655 -25.342 1.00 0.00 C ATOM 411 C ASP A 541 13.578 18.266 -25.176 1.00 0.00 C ATOM 412 O ASP A 541 12.854 18.062 -26.152 1.00 0.00 O ATOM 413 CB ASP A 541 15.213 19.943 -26.159 1.00 0.00 C ATOM 414 CG ASP A 541 14.369 21.063 -25.546 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.837 21.736 -24.600 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.200 21.216 -25.957 1.00 0.00 O ATOM 0 H ASP A 541 15.543 17.471 -26.985 1.00 0.00 H new ATOM 0 HA ASP A 541 15.465 18.829 -24.347 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.261 20.240 -26.185 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.905 19.768 -27.190 1.00 0.00 H new ATOM 421 N HIS A 542 13.118 18.152 -23.927 1.00 0.00 N ATOM 422 CA HIS A 542 11.720 17.818 -23.609 1.00 0.00 C ATOM 423 C HIS A 542 10.756 19.012 -23.758 1.00 0.00 C ATOM 424 O HIS A 542 9.541 18.821 -23.825 1.00 0.00 O ATOM 425 CB HIS A 542 11.647 17.260 -22.178 1.00 0.00 C ATOM 426 CG HIS A 542 12.519 16.052 -21.904 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.109 15.760 -20.669 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.841 15.059 -22.787 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.767 14.600 -20.837 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.629 14.161 -22.100 1.00 0.00 N ATOM 0 H HIS A 542 13.703 18.288 -23.103 1.00 0.00 H new ATOM 0 HA HIS A 542 11.396 17.070 -24.333 1.00 0.00 H new ATOM 0 HB2 HIS A 542 11.925 18.052 -21.483 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.612 16.996 -21.962 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.537 14.992 -23.821 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.328 14.092 -20.066 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.038 13.309 -22.484 1.00 0.00 H new ATOM 437 N ASN A 543 11.277 20.242 -23.808 1.00 0.00 N ATOM 438 CA ASN A 543 10.494 21.485 -23.821 1.00 0.00 C ATOM 439 C ASN A 543 9.773 21.733 -25.165 1.00 0.00 C ATOM 440 O ASN A 543 8.649 22.242 -25.172 1.00 0.00 O ATOM 441 CB ASN A 543 11.418 22.661 -23.448 1.00 0.00 C ATOM 442 CG ASN A 543 12.163 22.421 -22.143 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.602 22.489 -21.057 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.436 22.102 -22.203 1.00 0.00 N ATOM 0 H ASN A 543 12.283 20.407 -23.842 1.00 0.00 H new ATOM 0 HA ASN A 543 9.699 21.393 -23.082 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.138 22.822 -24.250 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.826 23.572 -23.363 1.00 0.00 H new ATOM 0 HD21 ASN A 543 13.955 21.912 -21.346 1.00 0.00 H new ATOM 0 HD22 ASN A 543 13.905 22.045 -23.107 1.00 0.00 H new ATOM 451 N THR A 544 10.378 21.328 -26.289 1.00 0.00 N ATOM 452 CA THR A 544 9.809 21.408 -27.655 1.00 0.00 C ATOM 453 C THR A 544 9.958 20.100 -28.452 1.00 0.00 C ATOM 454 O THR A 544 9.685 20.063 -29.655 1.00 0.00 O ATOM 455 CB THR A 544 10.409 22.580 -28.459 1.00 0.00 C ATOM 456 OG1 THR A 544 11.785 22.375 -28.698 1.00 0.00 O ATOM 457 CG2 THR A 544 10.255 23.932 -27.760 1.00 0.00 C ATOM 0 H THR A 544 11.312 20.919 -26.280 1.00 0.00 H new ATOM 0 HA THR A 544 8.743 21.585 -27.511 1.00 0.00 H new ATOM 0 HB THR A 544 9.848 22.604 -29.393 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.214 22.047 -27.880 1.00 0.00 H new ATOM 0 HG21 THR A 544 10.698 24.713 -28.378 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.197 24.145 -27.609 1.00 0.00 H new ATOM 0 HG23 THR A 544 10.761 23.902 -26.795 1.00 0.00 H new ATOM 465 N ARG A 545 10.373 19.010 -27.783 1.00 0.00 N ATOM 466 CA ARG A 545 10.616 17.654 -28.329 1.00 0.00 C ATOM 467 C ARG A 545 11.814 17.552 -29.299 1.00 0.00 C ATOM 468 O ARG A 545 11.998 16.513 -29.937 1.00 0.00 O ATOM 469 CB ARG A 545 9.310 17.080 -28.927 1.00 0.00 C ATOM 470 CG ARG A 545 9.120 15.585 -28.618 1.00 0.00 C ATOM 471 CD ARG A 545 8.083 14.928 -29.539 1.00 0.00 C ATOM 472 NE ARG A 545 6.759 15.576 -29.485 1.00 0.00 N ATOM 473 CZ ARG A 545 5.761 15.381 -30.332 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.849 14.585 -31.359 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.627 15.999 -30.159 1.00 0.00 N ATOM 0 H ARG A 545 10.561 19.050 -26.781 1.00 0.00 H new ATOM 0 HA ARG A 545 10.919 17.031 -27.487 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.460 17.638 -28.535 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.316 17.225 -30.007 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.075 15.070 -28.724 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.808 15.467 -27.580 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.451 14.954 -30.565 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.977 13.878 -29.265 1.00 0.00 H new ATOM 0 HE ARG A 545 6.598 16.236 -28.724 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.716 14.079 -31.539 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.051 14.468 -31.983 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.508 16.634 -29.370 1.00 0.00 H new ATOM 0 HH22 ARG A 545 3.859 15.848 -30.813 1.00 0.00 H new ATOM 489 N ARG A 546 12.612 18.620 -29.440 1.00 0.00 N ATOM 490 CA ARG A 546 13.789 18.700 -30.330 1.00 0.00 C ATOM 491 C ARG A 546 14.946 17.782 -29.910 1.00 0.00 C ATOM 492 O ARG A 546 15.035 17.326 -28.769 1.00 0.00 O ATOM 493 CB ARG A 546 14.267 20.163 -30.423 1.00 0.00 C ATOM 494 CG ARG A 546 13.437 20.977 -31.426 1.00 0.00 C ATOM 495 CD ARG A 546 14.044 22.375 -31.598 1.00 0.00 C ATOM 496 NE ARG A 546 13.362 23.137 -32.662 1.00 0.00 N ATOM 497 CZ ARG A 546 13.862 24.145 -33.357 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.059 24.615 -33.139 1.00 0.00 N ATOM 499 NH2 ARG A 546 13.163 24.708 -34.300 1.00 0.00 N ATOM 0 H ARG A 546 12.454 19.484 -28.921 1.00 0.00 H new ATOM 0 HA ARG A 546 13.468 18.344 -31.309 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.205 20.628 -29.439 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.316 20.184 -30.719 1.00 0.00 H new ATOM 0 HG2 ARG A 546 13.408 20.464 -32.387 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.408 21.059 -31.077 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.974 22.921 -30.657 1.00 0.00 H new ATOM 0 HD3 ARG A 546 15.104 22.285 -31.836 1.00 0.00 H new ATOM 0 HE ARG A 546 12.407 22.857 -32.884 1.00 0.00 H new ATOM 0 HH11 ARG A 546 15.644 24.204 -32.412 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.410 25.394 -33.696 1.00 0.00 H new ATOM 0 HH21 ARG A 546 12.222 24.372 -34.507 1.00 0.00 H new ATOM 0 HH22 ARG A 546 13.556 25.485 -34.831 1.00 0.00 H new ATOM 513 N THR A 547 15.874 17.569 -30.842 1.00 0.00 N ATOM 514 CA THR A 547 17.095 16.756 -30.683 1.00 0.00 C ATOM 515 C THR A 547 18.265 17.336 -31.486 1.00 0.00 C ATOM 516 O THR A 547 18.056 18.040 -32.477 1.00 0.00 O ATOM 517 CB THR A 547 16.868 15.305 -31.149 1.00 0.00 C ATOM 518 OG1 THR A 547 16.212 15.252 -32.403 1.00 0.00 O ATOM 519 CG2 THR A 547 16.023 14.502 -30.164 1.00 0.00 C ATOM 0 H THR A 547 15.798 17.974 -31.775 1.00 0.00 H new ATOM 0 HA THR A 547 17.336 16.770 -29.620 1.00 0.00 H new ATOM 0 HB THR A 547 17.865 14.871 -31.221 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.087 14.317 -32.667 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.893 13.487 -30.539 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.524 14.470 -29.197 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.047 14.975 -30.051 1.00 0.00 H new ATOM 527 N THR A 548 19.503 17.027 -31.087 1.00 0.00 N ATOM 528 CA THR A 548 20.732 17.477 -31.773 1.00 0.00 C ATOM 529 C THR A 548 21.942 16.583 -31.447 1.00 0.00 C ATOM 530 O THR A 548 21.969 15.898 -30.423 1.00 0.00 O ATOM 531 CB THR A 548 21.019 18.959 -31.444 1.00 0.00 C ATOM 532 OG1 THR A 548 22.204 19.396 -32.078 1.00 0.00 O ATOM 533 CG2 THR A 548 21.156 19.245 -29.951 1.00 0.00 C ATOM 0 H THR A 548 19.689 16.449 -30.267 1.00 0.00 H new ATOM 0 HA THR A 548 20.563 17.388 -32.846 1.00 0.00 H new ATOM 0 HB THR A 548 20.149 19.501 -31.815 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.365 20.337 -31.857 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.357 20.306 -29.801 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.230 18.975 -29.442 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.979 18.659 -29.542 1.00 0.00 H new ATOM 541 N PHE A 549 22.943 16.567 -32.332 1.00 0.00 N ATOM 542 CA PHE A 549 24.213 15.842 -32.167 1.00 0.00 C ATOM 543 C PHE A 549 25.288 16.651 -31.407 1.00 0.00 C ATOM 544 O PHE A 549 26.251 16.081 -30.893 1.00 0.00 O ATOM 545 CB PHE A 549 24.713 15.456 -33.569 1.00 0.00 C ATOM 546 CG PHE A 549 26.037 14.711 -33.604 1.00 0.00 C ATOM 547 CD1 PHE A 549 26.164 13.459 -32.972 1.00 0.00 C ATOM 548 CD2 PHE A 549 27.154 15.279 -34.249 1.00 0.00 C ATOM 549 CE1 PHE A 549 27.398 12.786 -32.976 1.00 0.00 C ATOM 550 CE2 PHE A 549 28.388 14.602 -34.258 1.00 0.00 C ATOM 551 CZ PHE A 549 28.510 13.355 -33.619 1.00 0.00 C ATOM 0 H PHE A 549 22.893 17.075 -33.215 1.00 0.00 H new ATOM 0 HA PHE A 549 24.031 14.960 -31.554 1.00 0.00 H new ATOM 0 HB2 PHE A 549 23.955 14.838 -34.050 1.00 0.00 H new ATOM 0 HB3 PHE A 549 24.810 16.364 -34.165 1.00 0.00 H new ATOM 0 HD1 PHE A 549 25.310 13.014 -32.482 1.00 0.00 H new ATOM 0 HD2 PHE A 549 27.063 16.237 -34.738 1.00 0.00 H new ATOM 0 HE1 PHE A 549 27.492 11.829 -32.484 1.00 0.00 H new ATOM 0 HE2 PHE A 549 29.241 15.040 -34.755 1.00 0.00 H new ATOM 0 HZ PHE A 549 29.457 12.836 -33.623 1.00 0.00 H new ATOM 561 N GLU A 550 25.124 17.972 -31.296 1.00 0.00 N ATOM 562 CA GLU A 550 26.090 18.894 -30.674 1.00 0.00 C ATOM 563 C GLU A 550 25.473 19.641 -29.474 1.00 0.00 C ATOM 564 O GLU A 550 24.392 19.287 -29.005 1.00 0.00 O ATOM 565 CB GLU A 550 26.692 19.818 -31.755 1.00 0.00 C ATOM 566 CG GLU A 550 25.706 20.818 -32.378 1.00 0.00 C ATOM 567 CD GLU A 550 26.372 21.610 -33.520 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.082 22.607 -33.240 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.190 21.247 -34.708 1.00 0.00 O ATOM 0 H GLU A 550 24.292 18.448 -31.645 1.00 0.00 H new ATOM 0 HA GLU A 550 26.917 18.327 -30.247 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.521 20.374 -31.316 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.109 19.199 -32.549 1.00 0.00 H new ATOM 0 HG2 GLU A 550 24.835 20.286 -32.760 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.349 21.507 -31.613 1.00 0.00 H new ATOM 756 N PRO B2325 18.885 7.685 -35.417 1.00 0.00 N ATOM 757 CA PRO B2325 18.235 8.960 -35.121 1.00 0.00 C ATOM 758 C PRO B2325 17.833 9.028 -33.632 1.00 0.00 C ATOM 759 O PRO B2325 17.179 8.100 -33.139 1.00 0.00 O ATOM 760 CB PRO B2325 17.016 9.017 -36.049 1.00 0.00 C ATOM 761 CG PRO B2325 16.652 7.548 -36.269 1.00 0.00 C ATOM 762 CD PRO B2325 18.001 6.830 -36.202 1.00 0.00 C ATOM 0 HA PRO B2325 18.893 9.812 -35.290 1.00 0.00 H new ATOM 0 HB2 PRO B2325 16.193 9.569 -35.594 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.253 9.515 -36.989 1.00 0.00 H new ATOM 0 HG2 PRO B2325 15.966 7.186 -35.503 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.164 7.396 -37.232 1.00 0.00 H new ATOM 0 HD2 PRO B2325 17.896 5.849 -35.738 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.405 6.668 -37.201 1.00 0.00 H new ATOM 770 N PRO B2326 18.172 10.104 -32.893 1.00 0.00 N ATOM 771 CA PRO B2326 17.677 10.302 -31.532 1.00 0.00 C ATOM 772 C PRO B2326 16.164 10.575 -31.553 1.00 0.00 C ATOM 773 O PRO B2326 15.672 11.389 -32.338 1.00 0.00 O ATOM 774 CB PRO B2326 18.486 11.477 -30.974 1.00 0.00 C ATOM 775 CG PRO B2326 18.822 12.292 -32.222 1.00 0.00 C ATOM 776 CD PRO B2326 19.011 11.225 -33.298 1.00 0.00 C ATOM 0 HA PRO B2326 17.804 9.422 -30.901 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.908 12.059 -30.256 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.385 11.139 -30.460 1.00 0.00 H new ATOM 0 HG2 PRO B2326 18.020 12.984 -32.478 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.724 12.887 -32.083 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.716 11.601 -34.278 1.00 0.00 H new ATOM 0 HD3 PRO B2326 20.056 10.925 -33.373 1.00 0.00 H new ATOM 784 N SER B2327 15.409 9.870 -30.709 1.00 0.00 N ATOM 785 CA SER B2327 13.939 9.940 -30.625 1.00 0.00 C ATOM 786 C SER B2327 13.469 9.423 -29.262 1.00 0.00 C ATOM 787 O SER B2327 12.990 8.296 -29.144 1.00 0.00 O ATOM 788 CB SER B2327 13.278 9.140 -31.764 1.00 0.00 C ATOM 789 OG SER B2327 13.419 9.803 -33.009 1.00 0.00 O ATOM 0 H SER B2327 15.811 9.212 -30.041 1.00 0.00 H new ATOM 0 HA SER B2327 13.638 10.982 -30.733 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.728 8.149 -31.824 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.220 8.996 -31.544 1.00 0.00 H new ATOM 0 HG SER B2327 14.148 10.455 -32.952 1.00 0.00 H new ATOM 795 N TYR B2328 13.667 10.220 -28.209 1.00 0.00 N ATOM 796 CA TYR B2328 13.226 9.883 -26.850 1.00 0.00 C ATOM 797 C TYR B2328 11.700 10.051 -26.713 1.00 0.00 C ATOM 798 O TYR B2328 10.955 9.090 -26.910 1.00 0.00 O ATOM 799 CB TYR B2328 14.028 10.726 -25.850 1.00 0.00 C ATOM 800 CG TYR B2328 13.786 10.390 -24.389 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.397 9.256 -23.822 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.962 11.213 -23.596 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.182 8.941 -22.466 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.738 10.898 -22.242 1.00 0.00 C ATOM 805 CZ TYR B2328 13.348 9.759 -21.672 1.00 0.00 C ATOM 806 OH TYR B2328 13.135 9.441 -20.365 1.00 0.00 O ATOM 0 H TYR B2328 14.140 11.122 -28.274 1.00 0.00 H new ATOM 0 HA TYR B2328 13.423 8.834 -26.631 1.00 0.00 H new ATOM 0 HB2 TYR B2328 15.090 10.604 -26.064 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.789 11.777 -26.010 1.00 0.00 H new ATOM 0 HD1 TYR B2328 15.032 8.626 -24.428 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.501 12.089 -24.028 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.656 8.073 -22.033 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.100 11.527 -21.640 1.00 0.00 H new ATOM 0 HH TYR B2328 12.539 10.105 -19.960 1.00 0.00 H new ATOM 816 N GLU B2329 11.206 11.274 -26.468 1.00 0.00 N ATOM 817 CA GLU B2329 9.762 11.540 -26.372 1.00 0.00 C ATOM 818 C GLU B2329 9.028 11.272 -27.692 1.00 0.00 C ATOM 819 O GLU B2329 7.924 10.733 -27.678 1.00 0.00 O ATOM 820 CB GLU B2329 9.474 12.970 -25.873 1.00 0.00 C ATOM 821 CG GLU B2329 9.381 13.018 -24.337 1.00 0.00 C ATOM 822 CD GLU B2329 8.671 14.275 -23.789 1.00 0.00 C ATOM 823 OE1 GLU B2329 7.689 14.755 -24.407 1.00 0.00 O ATOM 824 OE2 GLU B2329 9.047 14.749 -22.691 1.00 0.00 O ATOM 0 H GLU B2329 11.789 12.100 -26.332 1.00 0.00 H new ATOM 0 HA GLU B2329 9.374 10.838 -25.633 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.262 13.642 -26.213 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.541 13.328 -26.307 1.00 0.00 H new ATOM 0 HG2 GLU B2329 8.850 12.132 -23.988 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.387 12.971 -23.921 1.00 0.00 H new ATOM 831 N ASP B2330 9.646 11.583 -28.836 1.00 0.00 N ATOM 832 CA ASP B2330 9.022 11.413 -30.157 1.00 0.00 C ATOM 833 C ASP B2330 8.748 9.944 -30.543 1.00 0.00 C ATOM 834 O ASP B2330 7.896 9.680 -31.396 1.00 0.00 O ATOM 835 CB ASP B2330 9.871 12.131 -31.216 1.00 0.00 C ATOM 836 CG ASP B2330 9.052 12.433 -32.482 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.026 13.145 -32.363 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.440 11.988 -33.588 1.00 0.00 O ATOM 0 H ASP B2330 10.593 11.960 -28.875 1.00 0.00 H new ATOM 0 HA ASP B2330 8.033 11.869 -30.106 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.261 13.061 -30.803 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.730 11.513 -31.476 1.00 0.00 H new ATOM 843 N CYS B2331 9.416 8.983 -29.891 1.00 0.00 N ATOM 844 CA CYS B2331 9.109 7.555 -30.014 1.00 0.00 C ATOM 845 C CYS B2331 8.027 7.102 -29.012 1.00 0.00 C ATOM 846 O CYS B2331 7.119 6.355 -29.390 1.00 0.00 O ATOM 847 CB CYS B2331 10.411 6.764 -29.826 1.00 0.00 C ATOM 848 SG CYS B2331 10.158 4.999 -30.175 1.00 0.00 S ATOM 0 H CYS B2331 10.191 9.179 -29.258 1.00 0.00 H new ATOM 0 HA CYS B2331 8.697 7.364 -31.005 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.181 7.162 -30.487 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.772 6.888 -28.805 1.00 0.00 H new ATOM 0 HG CYS B2331 11.277 4.359 -30.009 1.00 0.00 H new ATOM 854 N ILE B2332 8.085 7.558 -27.749 1.00 0.00 N ATOM 855 CA ILE B2332 7.186 7.076 -26.680 1.00 0.00 C ATOM 856 C ILE B2332 5.801 7.758 -26.631 1.00 0.00 C ATOM 857 O ILE B2332 4.933 7.283 -25.890 1.00 0.00 O ATOM 858 CB ILE B2332 7.862 7.099 -25.288 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.185 8.518 -24.776 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.129 6.221 -25.282 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.166 8.618 -23.247 1.00 0.00 C ATOM 0 H ILE B2332 8.751 8.266 -27.439 1.00 0.00 H new ATOM 0 HA ILE B2332 6.989 6.040 -26.955 1.00 0.00 H new ATOM 0 HB ILE B2332 7.130 6.686 -24.594 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.167 8.816 -25.143 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.463 9.222 -25.190 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.588 6.252 -24.294 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.860 5.193 -25.526 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.835 6.597 -26.022 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.400 9.639 -22.946 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.177 8.349 -22.877 1.00 0.00 H new ATOM 0 HD13 ILE B2332 8.907 7.937 -22.829 1.00 0.00 H new