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 180:sc= 0 USER MOD Single : A 542 HIS : no HD1:sc= 0.12 K(o=0.12,f=-1.2) USER MOD Single : A 543 ASN : amide:sc= 1.16 K(o=1.2,f=-0.025) USER MOD Single : A 544 THR OG1 : rot -36:sc= 0.29 USER MOD Single : A 547 THR OG1 : rot -150:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0747 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 24.269 17.412 -14.352 1.00 0.00 N ATOM 117 CA LEU A 523 23.642 17.377 -15.683 1.00 0.00 C ATOM 118 C LEU A 523 23.190 18.785 -16.169 1.00 0.00 C ATOM 119 O LEU A 523 22.930 19.663 -15.336 1.00 0.00 O ATOM 120 CB LEU A 523 22.519 16.311 -15.687 1.00 0.00 C ATOM 121 CG LEU A 523 21.129 16.755 -15.169 1.00 0.00 C ATOM 122 CD1 LEU A 523 20.078 16.609 -16.271 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.674 15.911 -13.978 1.00 0.00 C ATOM 0 HA LEU A 523 24.383 17.076 -16.424 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.400 15.947 -16.708 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.851 15.466 -15.084 1.00 0.00 H new ATOM 0 HG LEU A 523 21.226 17.796 -14.861 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.106 16.925 -15.891 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.355 17.231 -17.122 1.00 0.00 H new ATOM 0 HD13 LEU A 523 20.023 15.567 -16.586 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.695 16.253 -13.643 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.611 14.865 -14.277 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.392 16.013 -13.164 1.00 0.00 H new ATOM 135 N PRO A 524 23.079 19.027 -17.493 1.00 0.00 N ATOM 136 CA PRO A 524 22.665 20.323 -18.048 1.00 0.00 C ATOM 137 C PRO A 524 21.185 20.679 -17.757 1.00 0.00 C ATOM 138 O PRO A 524 20.355 19.785 -17.559 1.00 0.00 O ATOM 139 CB PRO A 524 22.962 20.239 -19.551 1.00 0.00 C ATOM 140 CG PRO A 524 22.935 18.743 -19.849 1.00 0.00 C ATOM 141 CD PRO A 524 23.455 18.114 -18.561 1.00 0.00 C ATOM 0 HA PRO A 524 23.216 21.135 -17.573 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.216 20.776 -20.136 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.931 20.677 -19.792 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.928 18.399 -20.086 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.566 18.492 -20.702 1.00 0.00 H new ATOM 0 HD2 PRO A 524 23.018 17.128 -18.404 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.536 17.982 -18.599 1.00 0.00 H new ATOM 149 N PRO A 525 20.824 21.979 -17.740 1.00 0.00 N ATOM 150 CA PRO A 525 19.532 22.466 -17.240 1.00 0.00 C ATOM 151 C PRO A 525 18.354 22.116 -18.167 1.00 0.00 C ATOM 152 O PRO A 525 18.223 22.667 -19.261 1.00 0.00 O ATOM 153 CB PRO A 525 19.708 23.982 -17.080 1.00 0.00 C ATOM 154 CG PRO A 525 20.779 24.335 -18.112 1.00 0.00 C ATOM 155 CD PRO A 525 21.683 23.105 -18.090 1.00 0.00 C ATOM 0 HA PRO A 525 19.274 21.984 -16.297 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.777 24.515 -17.271 1.00 0.00 H new ATOM 0 HB3 PRO A 525 20.024 24.244 -16.070 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.350 24.505 -19.099 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.321 25.241 -17.840 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.153 22.949 -19.061 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.486 23.224 -17.362 1.00 0.00 H new ATOM 163 N GLY A 526 17.469 21.218 -17.722 1.00 0.00 N ATOM 164 CA GLY A 526 16.260 20.822 -18.463 1.00 0.00 C ATOM 165 C GLY A 526 16.526 20.061 -19.773 1.00 0.00 C ATOM 166 O GLY A 526 15.686 20.082 -20.675 1.00 0.00 O ATOM 0 H GLY A 526 17.570 20.739 -16.827 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.643 20.199 -17.816 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.681 21.717 -18.690 1.00 0.00 H new ATOM 170 N TRP A 527 17.681 19.397 -19.876 1.00 0.00 N ATOM 171 CA TRP A 527 18.130 18.611 -21.034 1.00 0.00 C ATOM 172 C TRP A 527 18.265 17.120 -20.680 1.00 0.00 C ATOM 173 O TRP A 527 18.381 16.739 -19.513 1.00 0.00 O ATOM 174 CB TRP A 527 19.487 19.157 -21.520 1.00 0.00 C ATOM 175 CG TRP A 527 19.456 20.308 -22.481 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.540 21.615 -22.149 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.403 20.274 -23.943 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.513 22.392 -23.293 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.435 21.616 -24.429 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.354 19.246 -24.911 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.403 21.922 -25.799 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.312 19.540 -26.288 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.338 20.875 -26.734 1.00 0.00 C ATOM 0 H TRP A 527 18.363 19.391 -19.118 1.00 0.00 H new ATOM 0 HA TRP A 527 17.385 18.701 -21.824 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.062 19.462 -20.645 1.00 0.00 H new ATOM 0 HB3 TRP A 527 20.032 18.338 -21.990 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.617 21.996 -21.141 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.547 23.411 -23.295 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.349 18.215 -24.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.428 22.950 -26.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.259 18.736 -27.007 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.308 21.094 -27.791 1.00 0.00 H new ATOM 194 N GLU A 528 18.316 16.276 -21.708 1.00 0.00 N ATOM 195 CA GLU A 528 18.617 14.842 -21.628 1.00 0.00 C ATOM 196 C GLU A 528 19.679 14.480 -22.684 1.00 0.00 C ATOM 197 O GLU A 528 19.794 15.137 -23.721 1.00 0.00 O ATOM 198 CB GLU A 528 17.296 14.059 -21.765 1.00 0.00 C ATOM 199 CG GLU A 528 17.404 12.534 -21.913 1.00 0.00 C ATOM 200 CD GLU A 528 17.936 11.863 -20.630 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.131 12.048 -20.303 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.164 11.154 -19.942 1.00 0.00 O ATOM 0 H GLU A 528 18.141 16.584 -22.665 1.00 0.00 H new ATOM 0 HA GLU A 528 19.050 14.570 -20.665 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.683 14.272 -20.889 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.760 14.447 -22.631 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.424 12.124 -22.157 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.065 12.297 -22.747 1.00 0.00 H new ATOM 209 N ILE A 529 20.494 13.461 -22.400 1.00 0.00 N ATOM 210 CA ILE A 529 21.710 13.108 -23.146 1.00 0.00 C ATOM 211 C ILE A 529 21.811 11.582 -23.217 1.00 0.00 C ATOM 212 O ILE A 529 21.801 10.904 -22.185 1.00 0.00 O ATOM 213 CB ILE A 529 22.999 13.694 -22.505 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.863 15.141 -21.977 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.128 13.643 -23.548 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.369 15.195 -20.522 1.00 0.00 C ATOM 0 H ILE A 529 20.321 12.834 -21.615 1.00 0.00 H new ATOM 0 HA ILE A 529 21.633 13.541 -24.143 1.00 0.00 H new ATOM 0 HB ILE A 529 23.213 13.080 -21.630 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.828 15.642 -22.048 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.170 15.692 -22.613 1.00 0.00 H new ATOM 0 HG21 ILE A 529 25.042 14.051 -23.115 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.299 12.609 -23.849 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.845 14.233 -24.420 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.292 16.234 -20.202 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.390 14.720 -20.452 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.074 14.669 -19.879 1.00 0.00 H new ATOM 228 N ARG A 530 21.891 11.033 -24.433 1.00 0.00 N ATOM 229 CA ARG A 530 21.824 9.584 -24.696 1.00 0.00 C ATOM 230 C ARG A 530 22.961 9.135 -25.619 1.00 0.00 C ATOM 231 O ARG A 530 23.541 9.940 -26.346 1.00 0.00 O ATOM 232 CB ARG A 530 20.439 9.215 -25.273 1.00 0.00 C ATOM 233 CG ARG A 530 19.242 9.536 -24.346 1.00 0.00 C ATOM 234 CD ARG A 530 18.447 8.297 -23.911 1.00 0.00 C ATOM 235 NE ARG A 530 19.202 7.454 -22.960 1.00 0.00 N ATOM 236 CZ ARG A 530 18.911 6.215 -22.599 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.891 5.569 -23.091 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.645 5.591 -21.723 1.00 0.00 N ATOM 0 H ARG A 530 22.006 11.589 -25.280 1.00 0.00 H new ATOM 0 HA ARG A 530 21.952 9.051 -23.754 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.302 9.744 -26.216 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.428 8.149 -25.501 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.610 10.051 -23.458 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.571 10.225 -24.859 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.511 8.612 -23.450 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.188 7.707 -24.790 1.00 0.00 H new ATOM 0 HE ARG A 530 20.033 7.870 -22.539 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.286 6.018 -23.778 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.698 4.614 -22.788 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.452 6.057 -21.309 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.413 4.636 -21.451 1.00 0.00 H new ATOM 252 N TYR A 531 23.261 7.837 -25.581 1.00 0.00 N ATOM 253 CA TYR A 531 24.445 7.221 -26.188 1.00 0.00 C ATOM 254 C TYR A 531 24.025 5.945 -26.930 1.00 0.00 C ATOM 255 O TYR A 531 23.858 4.883 -26.323 1.00 0.00 O ATOM 256 CB TYR A 531 25.497 6.928 -25.101 1.00 0.00 C ATOM 257 CG TYR A 531 25.996 8.139 -24.329 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.284 8.600 -23.202 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.183 8.788 -24.721 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.741 9.720 -22.483 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.657 9.893 -23.987 1.00 0.00 C ATOM 262 CZ TYR A 531 26.933 10.368 -22.873 1.00 0.00 C ATOM 263 OH TYR A 531 27.382 11.454 -22.188 1.00 0.00 O ATOM 0 H TYR A 531 22.664 7.158 -25.109 1.00 0.00 H new ATOM 0 HA TYR A 531 24.897 7.903 -26.909 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.073 6.217 -24.392 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.352 6.440 -25.569 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.384 8.091 -22.890 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.730 8.438 -25.584 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.181 10.083 -21.634 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.577 10.378 -24.278 1.00 0.00 H new ATOM 0 HH TYR A 531 28.216 11.773 -22.592 1.00 0.00 H new ATOM 273 N THR A 532 23.765 6.059 -28.235 1.00 0.00 N ATOM 274 CA THR A 532 23.270 4.933 -29.056 1.00 0.00 C ATOM 275 C THR A 532 24.327 3.836 -29.233 1.00 0.00 C ATOM 276 O THR A 532 25.532 4.105 -29.203 1.00 0.00 O ATOM 277 CB THR A 532 22.773 5.390 -30.437 1.00 0.00 C ATOM 278 OG1 THR A 532 23.825 5.924 -31.211 1.00 0.00 O ATOM 279 CG2 THR A 532 21.639 6.413 -30.336 1.00 0.00 C ATOM 0 H THR A 532 23.888 6.927 -28.757 1.00 0.00 H new ATOM 0 HA THR A 532 22.426 4.519 -28.504 1.00 0.00 H new ATOM 0 HB THR A 532 22.383 4.500 -30.931 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.479 6.205 -32.084 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.322 6.705 -31.337 1.00 0.00 H new ATOM 0 HG22 THR A 532 20.797 5.971 -29.803 1.00 0.00 H new ATOM 0 HG23 THR A 532 21.989 7.292 -29.795 1.00 0.00 H new ATOM 287 N ALA A 533 23.883 2.596 -29.470 1.00 0.00 N ATOM 288 CA ALA A 533 24.750 1.420 -29.624 1.00 0.00 C ATOM 289 C ALA A 533 25.768 1.508 -30.788 1.00 0.00 C ATOM 290 O ALA A 533 26.757 0.773 -30.799 1.00 0.00 O ATOM 291 CB ALA A 533 23.854 0.183 -29.757 1.00 0.00 C ATOM 0 H ALA A 533 22.891 2.377 -29.562 1.00 0.00 H new ATOM 0 HA ALA A 533 25.377 1.359 -28.735 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.475 -0.705 -29.873 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.239 0.082 -28.863 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.210 0.292 -30.630 1.00 0.00 H new ATOM 297 N ALA A 534 25.567 2.429 -31.741 1.00 0.00 N ATOM 298 CA ALA A 534 26.536 2.767 -32.787 1.00 0.00 C ATOM 299 C ALA A 534 27.827 3.449 -32.267 1.00 0.00 C ATOM 300 O ALA A 534 28.803 3.558 -33.014 1.00 0.00 O ATOM 301 CB ALA A 534 25.830 3.664 -33.810 1.00 0.00 C ATOM 0 H ALA A 534 24.705 2.971 -31.805 1.00 0.00 H new ATOM 0 HA ALA A 534 26.875 1.833 -33.236 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.529 3.932 -34.602 1.00 0.00 H new ATOM 0 HB2 ALA A 534 24.983 3.129 -34.239 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.476 4.569 -33.317 1.00 0.00 H new ATOM 307 N GLY A 535 27.846 3.915 -31.011 1.00 0.00 N ATOM 308 CA GLY A 535 28.984 4.613 -30.401 1.00 0.00 C ATOM 309 C GLY A 535 28.926 6.136 -30.581 1.00 0.00 C ATOM 310 O GLY A 535 29.958 6.766 -30.815 1.00 0.00 O ATOM 0 H GLY A 535 27.053 3.815 -30.378 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.016 4.380 -29.337 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.909 4.237 -30.838 1.00 0.00 H new ATOM 314 N GLU A 536 27.728 6.725 -30.513 1.00 0.00 N ATOM 315 CA GLU A 536 27.467 8.147 -30.796 1.00 0.00 C ATOM 316 C GLU A 536 26.576 8.782 -29.715 1.00 0.00 C ATOM 317 O GLU A 536 25.553 8.206 -29.324 1.00 0.00 O ATOM 318 CB GLU A 536 26.774 8.302 -32.166 1.00 0.00 C ATOM 319 CG GLU A 536 27.550 7.782 -33.389 1.00 0.00 C ATOM 320 CD GLU A 536 28.781 8.626 -33.791 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.222 9.522 -33.033 1.00 0.00 O ATOM 322 OE2 GLU A 536 29.308 8.403 -34.908 1.00 0.00 O ATOM 0 H GLU A 536 26.885 6.213 -30.252 1.00 0.00 H new ATOM 0 HA GLU A 536 28.430 8.658 -30.804 1.00 0.00 H new ATOM 0 HB2 GLU A 536 25.816 7.784 -32.124 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.559 9.359 -32.322 1.00 0.00 H new ATOM 0 HG2 GLU A 536 27.878 6.763 -33.185 1.00 0.00 H new ATOM 0 HG3 GLU A 536 26.869 7.734 -34.239 1.00 0.00 H new ATOM 329 N ARG A 537 26.954 9.982 -29.248 1.00 0.00 N ATOM 330 CA ARG A 537 26.171 10.807 -28.311 1.00 0.00 C ATOM 331 C ARG A 537 25.173 11.702 -29.056 1.00 0.00 C ATOM 332 O ARG A 537 25.485 12.262 -30.109 1.00 0.00 O ATOM 333 CB ARG A 537 27.126 11.625 -27.410 1.00 0.00 C ATOM 334 CG ARG A 537 26.418 12.734 -26.602 1.00 0.00 C ATOM 335 CD ARG A 537 27.142 13.203 -25.335 1.00 0.00 C ATOM 336 NE ARG A 537 28.579 13.490 -25.518 1.00 0.00 N ATOM 337 CZ ARG A 537 29.377 13.998 -24.594 1.00 0.00 C ATOM 338 NH1 ARG A 537 28.941 14.315 -23.408 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.642 14.191 -24.838 1.00 0.00 N ATOM 0 H ARG A 537 27.836 10.418 -29.518 1.00 0.00 H new ATOM 0 HA ARG A 537 25.580 10.151 -27.671 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.628 10.948 -26.719 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.899 12.077 -28.031 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.272 13.595 -27.254 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.428 12.376 -26.320 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.650 14.102 -24.963 1.00 0.00 H new ATOM 0 HD3 ARG A 537 27.033 12.438 -24.566 1.00 0.00 H new ATOM 0 HE ARG A 537 28.988 13.280 -26.428 1.00 0.00 H new ATOM 0 HH11 ARG A 537 27.959 14.173 -23.171 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.581 14.705 -22.717 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.028 13.950 -25.751 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.246 14.584 -24.116 1.00 0.00 H new ATOM 353 N PHE A 538 24.005 11.892 -28.446 1.00 0.00 N ATOM 354 CA PHE A 538 22.943 12.803 -28.873 1.00 0.00 C ATOM 355 C PHE A 538 22.347 13.548 -27.673 1.00 0.00 C ATOM 356 O PHE A 538 22.402 13.069 -26.537 1.00 0.00 O ATOM 357 CB PHE A 538 21.838 11.999 -29.569 1.00 0.00 C ATOM 358 CG PHE A 538 22.268 11.327 -30.856 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.177 12.028 -32.070 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.742 10.002 -30.845 1.00 0.00 C ATOM 361 CE1 PHE A 538 22.530 11.398 -33.276 1.00 0.00 C ATOM 362 CE2 PHE A 538 23.104 9.375 -32.049 1.00 0.00 C ATOM 363 CZ PHE A 538 22.990 10.072 -33.263 1.00 0.00 C ATOM 0 H PHE A 538 23.760 11.387 -27.594 1.00 0.00 H new ATOM 0 HA PHE A 538 23.367 13.535 -29.560 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.472 11.237 -28.881 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.001 12.664 -29.783 1.00 0.00 H new ATOM 0 HD1 PHE A 538 21.835 13.053 -32.077 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.828 9.467 -29.911 1.00 0.00 H new ATOM 0 HE1 PHE A 538 22.447 11.933 -34.210 1.00 0.00 H new ATOM 0 HE2 PHE A 538 23.469 8.359 -32.041 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.257 9.586 -34.190 1.00 0.00 H new ATOM 373 N PHE A 539 21.717 14.691 -27.943 1.00 0.00 N ATOM 374 CA PHE A 539 21.070 15.546 -26.948 1.00 0.00 C ATOM 375 C PHE A 539 19.582 15.721 -27.284 1.00 0.00 C ATOM 376 O PHE A 539 19.190 15.715 -28.455 1.00 0.00 O ATOM 377 CB PHE A 539 21.792 16.899 -26.891 1.00 0.00 C ATOM 378 CG PHE A 539 23.254 16.844 -26.482 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.254 16.589 -27.442 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.620 17.076 -25.142 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.608 16.553 -27.062 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.974 17.048 -24.763 1.00 0.00 C ATOM 383 CZ PHE A 539 25.968 16.786 -25.723 1.00 0.00 C ATOM 0 H PHE A 539 21.640 15.059 -28.891 1.00 0.00 H new ATOM 0 HA PHE A 539 21.134 15.078 -25.966 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.725 17.368 -27.872 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.261 17.545 -26.192 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.980 16.421 -28.473 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.858 17.276 -24.403 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.371 16.346 -27.798 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.251 17.228 -23.735 1.00 0.00 H new ATOM 0 HZ PHE A 539 27.008 16.764 -25.432 1.00 0.00 H new ATOM 393 N VAL A 540 18.757 15.876 -26.248 1.00 0.00 N ATOM 394 CA VAL A 540 17.288 15.802 -26.282 1.00 0.00 C ATOM 395 C VAL A 540 16.697 16.932 -25.430 1.00 0.00 C ATOM 396 O VAL A 540 17.076 17.110 -24.270 1.00 0.00 O ATOM 397 CB VAL A 540 16.830 14.434 -25.730 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.303 14.304 -25.672 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.364 13.230 -26.522 1.00 0.00 C ATOM 0 H VAL A 540 19.110 16.067 -25.310 1.00 0.00 H new ATOM 0 HA VAL A 540 16.940 15.910 -27.309 1.00 0.00 H new ATOM 0 HB VAL A 540 17.253 14.413 -24.726 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.036 13.324 -25.277 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.896 15.080 -25.023 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.890 14.416 -26.675 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.998 12.307 -26.072 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.019 13.292 -27.554 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.454 13.236 -26.502 1.00 0.00 H new ATOM 409 N ASP A 541 15.738 17.671 -25.989 1.00 0.00 N ATOM 410 CA ASP A 541 15.151 18.882 -25.404 1.00 0.00 C ATOM 411 C ASP A 541 13.629 18.741 -25.225 1.00 0.00 C ATOM 412 O ASP A 541 12.834 19.092 -26.104 1.00 0.00 O ATOM 413 CB ASP A 541 15.527 20.105 -26.256 1.00 0.00 C ATOM 414 CG ASP A 541 15.024 21.430 -25.657 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.610 21.454 -24.474 1.00 0.00 O ATOM 416 OD2 ASP A 541 15.048 22.458 -26.373 1.00 0.00 O ATOM 0 H ASP A 541 15.332 17.436 -26.895 1.00 0.00 H new ATOM 0 HA ASP A 541 15.562 19.027 -24.405 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.611 20.148 -26.362 1.00 0.00 H new ATOM 0 HB3 ASP A 541 15.114 19.985 -27.257 1.00 0.00 H new ATOM 421 N HIS A 542 13.223 18.205 -24.069 1.00 0.00 N ATOM 422 CA HIS A 542 11.822 17.936 -23.703 1.00 0.00 C ATOM 423 C HIS A 542 10.898 19.165 -23.772 1.00 0.00 C ATOM 424 O HIS A 542 9.686 19.009 -23.925 1.00 0.00 O ATOM 425 CB HIS A 542 11.765 17.346 -22.283 1.00 0.00 C ATOM 426 CG HIS A 542 12.618 16.122 -22.038 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.256 15.825 -20.831 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.857 15.107 -22.921 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.864 14.641 -21.013 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.649 14.193 -22.260 1.00 0.00 N ATOM 0 H HIS A 542 13.880 17.937 -23.336 1.00 0.00 H new ATOM 0 HA HIS A 542 11.451 17.230 -24.446 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.065 18.120 -21.577 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.729 17.093 -22.058 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.496 15.035 -23.936 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.443 14.123 -20.263 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.011 13.323 -22.652 1.00 0.00 H new ATOM 437 N ASN A 543 11.449 20.381 -23.687 1.00 0.00 N ATOM 438 CA ASN A 543 10.697 21.642 -23.728 1.00 0.00 C ATOM 439 C ASN A 543 9.980 21.890 -25.075 1.00 0.00 C ATOM 440 O ASN A 543 9.008 22.648 -25.123 1.00 0.00 O ATOM 441 CB ASN A 543 11.650 22.804 -23.391 1.00 0.00 C ATOM 442 CG ASN A 543 12.320 22.638 -22.035 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.734 22.881 -20.989 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.557 22.198 -22.010 1.00 0.00 N ATOM 0 H ASN A 543 12.454 20.520 -23.585 1.00 0.00 H new ATOM 0 HA ASN A 543 9.903 21.575 -22.984 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.415 22.877 -24.164 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.093 23.741 -23.405 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.031 22.058 -21.118 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.044 21.996 -22.883 1.00 0.00 H new ATOM 451 N THR A 544 10.437 21.254 -26.163 1.00 0.00 N ATOM 452 CA THR A 544 9.853 21.374 -27.519 1.00 0.00 C ATOM 453 C THR A 544 10.028 20.093 -28.373 1.00 0.00 C ATOM 454 O THR A 544 9.887 20.101 -29.597 1.00 0.00 O ATOM 455 CB THR A 544 10.393 22.660 -28.189 1.00 0.00 C ATOM 456 OG1 THR A 544 9.719 22.979 -29.390 1.00 0.00 O ATOM 457 CG2 THR A 544 11.898 22.619 -28.455 1.00 0.00 C ATOM 0 H THR A 544 11.240 20.626 -26.131 1.00 0.00 H new ATOM 0 HA THR A 544 8.771 21.471 -27.432 1.00 0.00 H new ATOM 0 HB THR A 544 10.196 23.444 -27.457 1.00 0.00 H new ATOM 0 HG1 THR A 544 9.491 22.153 -29.866 1.00 0.00 H new ATOM 0 HG21 THR A 544 12.210 23.551 -28.926 1.00 0.00 H new ATOM 0 HG22 THR A 544 12.431 22.492 -27.513 1.00 0.00 H new ATOM 0 HG23 THR A 544 12.128 21.784 -29.117 1.00 0.00 H new ATOM 465 N ARG A 545 10.327 18.954 -27.722 1.00 0.00 N ATOM 466 CA ARG A 545 10.560 17.614 -28.315 1.00 0.00 C ATOM 467 C ARG A 545 11.711 17.530 -29.342 1.00 0.00 C ATOM 468 O ARG A 545 11.800 16.554 -30.090 1.00 0.00 O ATOM 469 CB ARG A 545 9.220 17.061 -28.861 1.00 0.00 C ATOM 470 CG ARG A 545 9.104 15.535 -28.713 1.00 0.00 C ATOM 471 CD ARG A 545 7.787 14.985 -29.276 1.00 0.00 C ATOM 472 NE ARG A 545 7.785 14.937 -30.752 1.00 0.00 N ATOM 473 CZ ARG A 545 6.907 15.445 -31.596 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.900 16.187 -31.225 1.00 0.00 N ATOM 475 NH2 ARG A 545 7.045 15.183 -32.860 1.00 0.00 N ATOM 0 H ARG A 545 10.419 18.938 -26.706 1.00 0.00 H new ATOM 0 HA ARG A 545 10.921 16.973 -27.510 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.393 17.537 -28.334 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.123 17.328 -29.913 1.00 0.00 H new ATOM 0 HG2 ARG A 545 9.940 15.060 -29.225 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.183 15.269 -27.659 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.616 13.983 -28.882 1.00 0.00 H new ATOM 0 HD3 ARG A 545 6.960 15.607 -28.934 1.00 0.00 H new ATOM 0 HE ARG A 545 8.570 14.444 -31.177 1.00 0.00 H new ATOM 0 HH11 ARG A 545 5.761 16.401 -30.237 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.252 16.553 -31.922 1.00 0.00 H new ATOM 0 HH21 ARG A 545 7.817 14.598 -33.178 1.00 0.00 H new ATOM 0 HH22 ARG A 545 6.381 15.562 -33.535 1.00 0.00 H new ATOM 489 N ARG A 546 12.589 18.539 -29.404 1.00 0.00 N ATOM 490 CA ARG A 546 13.724 18.601 -30.350 1.00 0.00 C ATOM 491 C ARG A 546 14.928 17.767 -29.902 1.00 0.00 C ATOM 492 O ARG A 546 15.027 17.338 -28.752 1.00 0.00 O ATOM 493 CB ARG A 546 14.134 20.065 -30.600 1.00 0.00 C ATOM 494 CG ARG A 546 13.175 20.759 -31.584 1.00 0.00 C ATOM 495 CD ARG A 546 13.749 22.099 -32.058 1.00 0.00 C ATOM 496 NE ARG A 546 14.895 21.902 -32.971 1.00 0.00 N ATOM 497 CZ ARG A 546 15.724 22.830 -33.409 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.601 24.083 -33.084 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.710 22.508 -34.198 1.00 0.00 N ATOM 0 H ARG A 546 12.535 19.352 -28.790 1.00 0.00 H new ATOM 0 HA ARG A 546 13.378 18.159 -31.285 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.143 20.608 -29.655 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.149 20.097 -30.996 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.998 20.111 -32.443 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.210 20.922 -31.103 1.00 0.00 H new ATOM 0 HD2 ARG A 546 12.972 22.670 -32.565 1.00 0.00 H new ATOM 0 HD3 ARG A 546 14.065 22.686 -31.196 1.00 0.00 H new ATOM 0 HE ARG A 546 15.062 20.950 -33.296 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.843 24.378 -32.469 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.263 24.771 -33.444 1.00 0.00 H new ATOM 0 HH21 ARG A 546 16.842 21.536 -34.478 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.349 23.228 -34.535 1.00 0.00 H new ATOM 513 N THR A 547 15.864 17.575 -30.830 1.00 0.00 N ATOM 514 CA THR A 547 17.131 16.847 -30.645 1.00 0.00 C ATOM 515 C THR A 547 18.267 17.477 -31.462 1.00 0.00 C ATOM 516 O THR A 547 18.021 18.247 -32.395 1.00 0.00 O ATOM 517 CB THR A 547 16.990 15.374 -31.061 1.00 0.00 C ATOM 518 OG1 THR A 547 16.512 15.278 -32.387 1.00 0.00 O ATOM 519 CG2 THR A 547 16.040 14.588 -30.160 1.00 0.00 C ATOM 0 H THR A 547 15.761 17.937 -31.778 1.00 0.00 H new ATOM 0 HA THR A 547 17.373 16.908 -29.584 1.00 0.00 H new ATOM 0 HB THR A 547 17.987 14.943 -30.972 1.00 0.00 H new ATOM 0 HG1 THR A 547 15.991 14.454 -32.488 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.982 13.556 -30.505 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.410 14.608 -29.135 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.048 15.038 -30.196 1.00 0.00 H new ATOM 527 N THR A 548 19.521 17.166 -31.113 1.00 0.00 N ATOM 528 CA THR A 548 20.726 17.647 -31.821 1.00 0.00 C ATOM 529 C THR A 548 21.957 16.765 -31.540 1.00 0.00 C ATOM 530 O THR A 548 21.972 15.960 -30.602 1.00 0.00 O ATOM 531 CB THR A 548 20.986 19.137 -31.502 1.00 0.00 C ATOM 532 OG1 THR A 548 22.151 19.603 -32.153 1.00 0.00 O ATOM 533 CG2 THR A 548 21.123 19.436 -30.011 1.00 0.00 C ATOM 0 H THR A 548 19.737 16.564 -30.319 1.00 0.00 H new ATOM 0 HA THR A 548 20.538 17.566 -32.892 1.00 0.00 H new ATOM 0 HB THR A 548 20.101 19.657 -31.869 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.291 20.548 -31.936 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.304 20.501 -29.869 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.205 19.152 -29.497 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.958 18.868 -29.601 1.00 0.00 H new ATOM 541 N PHE A 549 22.987 16.893 -32.382 1.00 0.00 N ATOM 542 CA PHE A 549 24.231 16.110 -32.358 1.00 0.00 C ATOM 543 C PHE A 549 25.313 16.706 -31.430 1.00 0.00 C ATOM 544 O PHE A 549 26.320 16.055 -31.148 1.00 0.00 O ATOM 545 CB PHE A 549 24.790 16.028 -33.793 1.00 0.00 C ATOM 546 CG PHE A 549 23.796 15.713 -34.905 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.784 14.752 -34.719 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.881 16.390 -36.139 1.00 0.00 C ATOM 549 CE1 PHE A 549 21.859 14.478 -35.743 1.00 0.00 C ATOM 550 CE2 PHE A 549 22.961 16.113 -37.167 1.00 0.00 C ATOM 551 CZ PHE A 549 21.948 15.159 -36.969 1.00 0.00 C ATOM 0 H PHE A 549 22.978 17.579 -33.137 1.00 0.00 H new ATOM 0 HA PHE A 549 23.984 15.124 -31.964 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.268 16.980 -34.025 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.570 15.267 -33.810 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.717 14.220 -33.781 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.656 17.125 -36.296 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.081 13.745 -35.587 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.033 16.634 -38.110 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.240 14.950 -37.757 1.00 0.00 H new ATOM 561 N GLU A 550 25.129 17.950 -30.976 1.00 0.00 N ATOM 562 CA GLU A 550 26.106 18.749 -30.216 1.00 0.00 C ATOM 563 C GLU A 550 25.400 19.737 -29.258 1.00 0.00 C ATOM 564 O GLU A 550 24.213 19.584 -28.974 1.00 0.00 O ATOM 565 CB GLU A 550 27.074 19.440 -31.205 1.00 0.00 C ATOM 566 CG GLU A 550 26.425 20.492 -32.120 1.00 0.00 C ATOM 567 CD GLU A 550 27.438 21.032 -33.146 1.00 0.00 C ATOM 568 OE1 GLU A 550 28.282 21.887 -32.781 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.393 20.616 -34.330 1.00 0.00 O ATOM 0 H GLU A 550 24.256 18.454 -31.134 1.00 0.00 H new ATOM 0 HA GLU A 550 26.698 18.098 -29.573 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.872 19.918 -30.636 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.540 18.676 -31.828 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.575 20.051 -32.641 1.00 0.00 H new ATOM 0 HG3 GLU A 550 26.039 21.314 -31.518 1.00 0.00 H new ATOM 756 N PRO B2325 18.701 7.927 -35.751 1.00 0.00 N ATOM 757 CA PRO B2325 17.867 9.087 -35.435 1.00 0.00 C ATOM 758 C PRO B2325 17.540 9.132 -33.924 1.00 0.00 C ATOM 759 O PRO B2325 16.954 8.175 -33.404 1.00 0.00 O ATOM 760 CB PRO B2325 16.610 8.922 -36.296 1.00 0.00 C ATOM 761 CG PRO B2325 16.486 7.410 -36.486 1.00 0.00 C ATOM 762 CD PRO B2325 17.937 6.926 -36.484 1.00 0.00 C ATOM 0 HA PRO B2325 18.367 10.031 -35.651 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.731 9.335 -35.802 1.00 0.00 H new ATOM 0 HB3 PRO B2325 16.710 9.437 -37.251 1.00 0.00 H new ATOM 0 HG2 PRO B2325 15.909 6.951 -35.683 1.00 0.00 H new ATOM 0 HG3 PRO B2325 15.983 7.164 -37.421 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.020 5.949 -36.009 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.312 6.819 -37.502 1.00 0.00 H new ATOM 770 N PRO B2326 17.895 10.207 -33.190 1.00 0.00 N ATOM 771 CA PRO B2326 17.533 10.353 -31.780 1.00 0.00 C ATOM 772 C PRO B2326 16.030 10.653 -31.629 1.00 0.00 C ATOM 773 O PRO B2326 15.521 11.630 -32.182 1.00 0.00 O ATOM 774 CB PRO B2326 18.417 11.488 -31.256 1.00 0.00 C ATOM 775 CG PRO B2326 18.628 12.364 -32.490 1.00 0.00 C ATOM 776 CD PRO B2326 18.680 11.353 -33.633 1.00 0.00 C ATOM 0 HA PRO B2326 17.698 9.440 -31.208 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.931 12.038 -30.450 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.362 11.113 -30.862 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.814 13.078 -32.621 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.550 12.941 -32.421 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.269 11.778 -34.549 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.708 11.062 -33.850 1.00 0.00 H new ATOM 784 N SER B2327 15.328 9.820 -30.855 1.00 0.00 N ATOM 785 CA SER B2327 13.872 9.896 -30.648 1.00 0.00 C ATOM 786 C SER B2327 13.500 9.401 -29.245 1.00 0.00 C ATOM 787 O SER B2327 13.340 8.199 -29.027 1.00 0.00 O ATOM 788 CB SER B2327 13.120 9.069 -31.709 1.00 0.00 C ATOM 789 OG SER B2327 13.317 9.577 -33.020 1.00 0.00 O ATOM 0 H SER B2327 15.764 9.054 -30.341 1.00 0.00 H new ATOM 0 HA SER B2327 13.576 10.940 -30.746 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.458 8.034 -31.667 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.055 9.066 -31.478 1.00 0.00 H new ATOM 0 HG SER B2327 12.825 9.024 -33.662 1.00 0.00 H new ATOM 795 N TYR B2328 13.389 10.321 -28.280 1.00 0.00 N ATOM 796 CA TYR B2328 12.971 10.017 -26.903 1.00 0.00 C ATOM 797 C TYR B2328 11.439 10.130 -26.778 1.00 0.00 C ATOM 798 O TYR B2328 10.725 9.189 -27.128 1.00 0.00 O ATOM 799 CB TYR B2328 13.759 10.917 -25.935 1.00 0.00 C ATOM 800 CG TYR B2328 13.566 10.597 -24.463 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.239 9.497 -23.894 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.730 11.396 -23.658 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.069 9.192 -22.529 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.550 11.089 -22.295 1.00 0.00 C ATOM 805 CZ TYR B2328 13.221 9.985 -21.726 1.00 0.00 C ATOM 806 OH TYR B2328 13.053 9.679 -20.410 1.00 0.00 O ATOM 0 H TYR B2328 13.589 11.309 -28.433 1.00 0.00 H new ATOM 0 HA TYR B2328 13.206 8.987 -26.634 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.820 10.840 -26.172 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.468 11.953 -26.108 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.887 8.886 -24.506 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.225 12.248 -24.088 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.588 8.350 -22.096 1.00 0.00 H new ATOM 0 HE2 TYR B2328 11.899 11.698 -21.686 1.00 0.00 H new ATOM 0 HH TYR B2328 12.439 10.324 -20.000 1.00 0.00 H new ATOM 816 N GLU B2329 10.910 11.303 -26.402 1.00 0.00 N ATOM 817 CA GLU B2329 9.466 11.605 -26.392 1.00 0.00 C ATOM 818 C GLU B2329 8.825 11.416 -27.774 1.00 0.00 C ATOM 819 O GLU B2329 7.677 10.994 -27.874 1.00 0.00 O ATOM 820 CB GLU B2329 9.237 13.042 -25.890 1.00 0.00 C ATOM 821 CG GLU B2329 9.183 13.157 -24.359 1.00 0.00 C ATOM 822 CD GLU B2329 7.771 12.912 -23.778 1.00 0.00 C ATOM 823 OE1 GLU B2329 7.050 11.999 -24.243 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.370 13.640 -22.837 1.00 0.00 O ATOM 0 H GLU B2329 11.483 12.087 -26.089 1.00 0.00 H new ATOM 0 HA GLU B2329 8.985 10.899 -25.715 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.036 13.681 -26.266 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.304 13.419 -26.308 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.878 12.439 -23.923 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.523 14.150 -24.064 1.00 0.00 H new ATOM 831 N ASP B2330 9.581 11.662 -28.851 1.00 0.00 N ATOM 832 CA ASP B2330 9.156 11.430 -30.238 1.00 0.00 C ATOM 833 C ASP B2330 8.852 9.948 -30.560 1.00 0.00 C ATOM 834 O ASP B2330 8.066 9.665 -31.467 1.00 0.00 O ATOM 835 CB ASP B2330 10.246 11.980 -31.168 1.00 0.00 C ATOM 836 CG ASP B2330 9.715 12.244 -32.584 1.00 0.00 C ATOM 837 OD1 ASP B2330 9.059 13.295 -32.769 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.956 11.430 -33.505 1.00 0.00 O ATOM 0 H ASP B2330 10.527 12.037 -28.781 1.00 0.00 H new ATOM 0 HA ASP B2330 8.211 11.950 -30.391 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.644 12.905 -30.752 1.00 0.00 H new ATOM 0 HB3 ASP B2330 11.072 11.271 -31.217 1.00 0.00 H new ATOM 843 N CYS B2331 9.418 9.003 -29.794 1.00 0.00 N ATOM 844 CA CYS B2331 9.188 7.560 -29.942 1.00 0.00 C ATOM 845 C CYS B2331 8.158 7.018 -28.932 1.00 0.00 C ATOM 846 O CYS B2331 7.339 6.170 -29.293 1.00 0.00 O ATOM 847 CB CYS B2331 10.537 6.839 -29.789 1.00 0.00 C ATOM 848 SG CYS B2331 10.385 5.076 -30.209 1.00 0.00 S ATOM 0 H CYS B2331 10.063 9.228 -29.037 1.00 0.00 H new ATOM 0 HA CYS B2331 8.766 7.373 -30.929 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.279 7.308 -30.435 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.895 6.943 -28.765 1.00 0.00 H new ATOM 0 HG CYS B2331 11.540 4.496 -30.072 1.00 0.00 H new ATOM 854 N ILE B2332 8.159 7.504 -27.682 1.00 0.00 N ATOM 855 CA ILE B2332 7.297 6.985 -26.598 1.00 0.00 C ATOM 856 C ILE B2332 5.878 7.606 -26.560 1.00 0.00 C ATOM 857 O ILE B2332 5.212 7.566 -25.521 1.00 0.00 O ATOM 858 CB ILE B2332 8.012 7.028 -25.223 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.296 8.456 -24.712 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.311 6.199 -25.265 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.428 8.532 -23.186 1.00 0.00 C ATOM 0 H ILE B2332 8.760 8.274 -27.388 1.00 0.00 H new ATOM 0 HA ILE B2332 7.124 5.936 -26.838 1.00 0.00 H new ATOM 0 HB ILE B2332 7.318 6.586 -24.508 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.215 8.823 -25.169 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.492 9.118 -25.035 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.800 6.240 -24.292 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.074 5.163 -25.509 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.978 6.607 -26.024 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.627 9.562 -22.889 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.501 8.194 -22.723 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.250 7.895 -22.860 1.00 0.00 H new