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 -60:sc= 0.485 USER MOD Single : A 542 HIS : no HD1:sc= 0.133 K(o=0.13,f=-0.75) USER MOD Single : A 543 ASN : amide:sc= 1.19 K(o=1.2,f=-0.02) USER MOD Single : A 544 THR OG1 : rot -58:sc= 1.58 USER MOD Single : A 547 THR OG1 : rot -160:sc=-0.00114 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0613 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 24.213 17.462 -14.368 1.00 0.00 N ATOM 117 CA LEU A 523 23.570 17.445 -15.693 1.00 0.00 C ATOM 118 C LEU A 523 23.171 18.866 -16.184 1.00 0.00 C ATOM 119 O LEU A 523 22.975 19.763 -15.355 1.00 0.00 O ATOM 120 CB LEU A 523 22.405 16.425 -15.678 1.00 0.00 C ATOM 121 CG LEU A 523 21.031 16.932 -15.172 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.965 16.753 -16.256 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.567 16.165 -13.933 1.00 0.00 C ATOM 0 HA LEU A 523 24.290 17.110 -16.440 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.274 16.046 -16.692 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.703 15.580 -15.058 1.00 0.00 H new ATOM 0 HG LEU A 523 21.157 17.985 -14.922 1.00 0.00 H new ATOM 0 HD11 LEU A 523 19.005 17.114 -15.886 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.248 17.321 -17.142 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.881 15.697 -16.513 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.600 16.549 -13.608 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.474 15.106 -14.174 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.296 16.292 -13.132 1.00 0.00 H new ATOM 135 N PRO A 524 23.034 19.098 -17.507 1.00 0.00 N ATOM 136 CA PRO A 524 22.636 20.396 -18.073 1.00 0.00 C ATOM 137 C PRO A 524 21.162 20.778 -17.783 1.00 0.00 C ATOM 138 O PRO A 524 20.328 19.901 -17.534 1.00 0.00 O ATOM 139 CB PRO A 524 22.918 20.286 -19.578 1.00 0.00 C ATOM 140 CG PRO A 524 22.836 18.789 -19.857 1.00 0.00 C ATOM 141 CD PRO A 524 23.359 18.161 -18.571 1.00 0.00 C ATOM 0 HA PRO A 524 23.202 21.203 -17.607 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.186 20.842 -20.164 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.900 20.687 -19.831 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.814 18.475 -20.071 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.443 18.507 -20.718 1.00 0.00 H new ATOM 0 HD2 PRO A 524 22.894 17.191 -18.393 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.434 17.993 -18.628 1.00 0.00 H new ATOM 149 N PRO A 525 20.808 22.079 -17.828 1.00 0.00 N ATOM 150 CA PRO A 525 19.505 22.591 -17.389 1.00 0.00 C ATOM 151 C PRO A 525 18.358 22.222 -18.347 1.00 0.00 C ATOM 152 O PRO A 525 18.285 22.723 -19.470 1.00 0.00 O ATOM 153 CB PRO A 525 19.688 24.111 -17.277 1.00 0.00 C ATOM 154 CG PRO A 525 20.788 24.420 -18.293 1.00 0.00 C ATOM 155 CD PRO A 525 21.681 23.185 -18.206 1.00 0.00 C ATOM 0 HA PRO A 525 19.212 22.142 -16.440 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.766 24.644 -17.511 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.980 24.406 -16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.385 24.559 -19.296 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.330 25.331 -18.038 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.168 22.988 -19.161 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.471 23.327 -17.469 1.00 0.00 H new ATOM 163 N GLY A 526 17.429 21.371 -17.897 1.00 0.00 N ATOM 164 CA GLY A 526 16.230 20.989 -18.662 1.00 0.00 C ATOM 165 C GLY A 526 16.511 20.206 -19.957 1.00 0.00 C ATOM 166 O GLY A 526 15.718 20.272 -20.898 1.00 0.00 O ATOM 0 H GLY A 526 17.486 20.922 -16.983 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.585 20.386 -18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.674 21.892 -18.914 1.00 0.00 H new ATOM 170 N TRP A 527 17.628 19.473 -20.003 1.00 0.00 N ATOM 171 CA TRP A 527 18.097 18.661 -21.138 1.00 0.00 C ATOM 172 C TRP A 527 18.256 17.182 -20.735 1.00 0.00 C ATOM 173 O TRP A 527 18.423 16.851 -19.560 1.00 0.00 O ATOM 174 CB TRP A 527 19.451 19.217 -21.626 1.00 0.00 C ATOM 175 CG TRP A 527 19.421 20.342 -22.620 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.560 21.656 -22.334 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.321 20.269 -24.078 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.523 22.399 -23.498 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.381 21.594 -24.608 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.212 19.216 -25.012 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.316 21.862 -25.983 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.134 19.471 -26.397 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.187 20.789 -26.883 1.00 0.00 C ATOM 0 H TRP A 527 18.266 19.425 -19.208 1.00 0.00 H new ATOM 0 HA TRP A 527 17.358 18.714 -21.937 1.00 0.00 H new ATOM 0 HB2 TRP A 527 20.010 19.554 -20.753 1.00 0.00 H new ATOM 0 HB3 TRP A 527 20.013 18.394 -22.067 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.682 22.065 -21.342 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.592 23.416 -23.532 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.188 18.196 -24.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.364 22.878 -26.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.033 18.648 -27.089 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.129 20.977 -27.945 1.00 0.00 H new ATOM 194 N GLU A 528 18.269 16.297 -21.729 1.00 0.00 N ATOM 195 CA GLU A 528 18.606 14.873 -21.613 1.00 0.00 C ATOM 196 C GLU A 528 19.680 14.516 -22.655 1.00 0.00 C ATOM 197 O GLU A 528 19.785 15.158 -23.703 1.00 0.00 O ATOM 198 CB GLU A 528 17.309 14.041 -21.731 1.00 0.00 C ATOM 199 CG GLU A 528 17.434 12.535 -22.048 1.00 0.00 C ATOM 200 CD GLU A 528 18.055 11.678 -20.918 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.006 12.151 -20.249 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.614 10.515 -20.732 1.00 0.00 O ATOM 0 H GLU A 528 18.034 16.562 -22.685 1.00 0.00 H new ATOM 0 HA GLU A 528 19.039 14.640 -20.640 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.764 14.139 -20.792 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.692 14.494 -22.507 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.443 12.144 -22.277 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.039 12.417 -22.947 1.00 0.00 H new ATOM 209 N ILE A 529 20.515 13.523 -22.345 1.00 0.00 N ATOM 210 CA ILE A 529 21.727 13.160 -23.094 1.00 0.00 C ATOM 211 C ILE A 529 21.839 11.638 -23.122 1.00 0.00 C ATOM 212 O ILE A 529 21.864 10.999 -22.065 1.00 0.00 O ATOM 213 CB ILE A 529 23.020 13.762 -22.480 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.880 15.212 -21.970 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.136 13.699 -23.538 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.392 15.282 -20.517 1.00 0.00 C ATOM 0 H ILE A 529 20.363 12.924 -21.534 1.00 0.00 H new ATOM 0 HA ILE A 529 21.634 13.571 -24.099 1.00 0.00 H new ATOM 0 HB ILE A 529 23.252 13.164 -21.599 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.843 15.716 -22.051 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.183 15.753 -22.610 1.00 0.00 H new ATOM 0 HG21 ILE A 529 25.053 14.118 -23.125 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.308 12.661 -23.824 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.838 14.273 -24.416 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.312 16.325 -20.210 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.416 14.804 -20.438 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.102 14.767 -19.870 1.00 0.00 H new ATOM 228 N ARG A 530 21.885 11.047 -24.321 1.00 0.00 N ATOM 229 CA ARG A 530 21.846 9.586 -24.517 1.00 0.00 C ATOM 230 C ARG A 530 22.965 9.113 -25.446 1.00 0.00 C ATOM 231 O ARG A 530 23.501 9.887 -26.240 1.00 0.00 O ATOM 232 CB ARG A 530 20.451 9.140 -25.007 1.00 0.00 C ATOM 233 CG ARG A 530 19.301 9.628 -24.099 1.00 0.00 C ATOM 234 CD ARG A 530 18.191 8.593 -23.852 1.00 0.00 C ATOM 235 NE ARG A 530 18.207 8.134 -22.447 1.00 0.00 N ATOM 236 CZ ARG A 530 18.910 7.145 -21.924 1.00 0.00 C ATOM 237 NH1 ARG A 530 19.655 6.349 -22.642 1.00 0.00 N ATOM 238 NH2 ARG A 530 18.883 6.938 -20.640 1.00 0.00 N ATOM 0 H ARG A 530 21.951 11.571 -25.194 1.00 0.00 H new ATOM 0 HA ARG A 530 22.023 9.108 -23.553 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.291 9.515 -26.018 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.424 8.052 -25.063 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.718 9.929 -23.138 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.856 10.517 -24.546 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.220 9.031 -24.086 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.326 7.742 -24.519 1.00 0.00 H new ATOM 0 HE ARG A 530 17.602 8.643 -21.803 1.00 0.00 H new ATOM 0 HH11 ARG A 530 19.712 6.477 -23.652 1.00 0.00 H new ATOM 0 HH12 ARG A 530 20.180 5.599 -22.193 1.00 0.00 H new ATOM 0 HH21 ARG A 530 18.320 7.539 -20.038 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.425 6.175 -20.235 1.00 0.00 H new ATOM 252 N TYR A 531 23.304 7.832 -25.332 1.00 0.00 N ATOM 253 CA TYR A 531 24.495 7.205 -25.913 1.00 0.00 C ATOM 254 C TYR A 531 24.073 5.925 -26.648 1.00 0.00 C ATOM 255 O TYR A 531 23.792 4.897 -26.026 1.00 0.00 O ATOM 256 CB TYR A 531 25.515 6.908 -24.797 1.00 0.00 C ATOM 257 CG TYR A 531 26.090 8.129 -24.094 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.375 8.756 -23.051 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.360 8.616 -24.460 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.914 9.880 -22.396 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.914 9.725 -23.790 1.00 0.00 C ATOM 262 CZ TYR A 531 27.187 10.365 -22.762 1.00 0.00 C ATOM 263 OH TYR A 531 27.700 11.459 -22.136 1.00 0.00 O ATOM 0 H TYR A 531 22.732 7.169 -24.809 1.00 0.00 H new ATOM 0 HA TYR A 531 24.970 7.874 -26.630 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.037 6.273 -24.051 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.338 6.335 -25.224 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.410 8.372 -22.754 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.911 8.138 -25.257 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.353 10.370 -21.614 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.895 10.086 -24.063 1.00 0.00 H new ATOM 0 HH TYR A 531 28.585 11.662 -22.505 1.00 0.00 H new ATOM 273 N THR A 532 23.946 6.009 -27.973 1.00 0.00 N ATOM 274 CA THR A 532 23.466 4.897 -28.817 1.00 0.00 C ATOM 275 C THR A 532 24.474 3.746 -28.902 1.00 0.00 C ATOM 276 O THR A 532 25.686 3.936 -28.753 1.00 0.00 O ATOM 277 CB THR A 532 23.120 5.359 -30.243 1.00 0.00 C ATOM 278 OG1 THR A 532 24.258 5.874 -30.896 1.00 0.00 O ATOM 279 CG2 THR A 532 22.006 6.404 -30.269 1.00 0.00 C ATOM 0 H THR A 532 24.173 6.852 -28.500 1.00 0.00 H new ATOM 0 HA THR A 532 22.562 4.536 -28.327 1.00 0.00 H new ATOM 0 HB THR A 532 22.762 4.475 -30.770 1.00 0.00 H new ATOM 0 HG1 THR A 532 24.605 6.640 -30.393 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.803 6.694 -31.300 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.103 5.984 -29.826 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.316 7.280 -29.700 1.00 0.00 H new ATOM 287 N ALA A 533 23.985 2.543 -29.223 1.00 0.00 N ATOM 288 CA ALA A 533 24.808 1.346 -29.438 1.00 0.00 C ATOM 289 C ALA A 533 25.806 1.457 -30.619 1.00 0.00 C ATOM 290 O ALA A 533 26.729 0.646 -30.724 1.00 0.00 O ATOM 291 CB ALA A 533 23.865 0.148 -29.607 1.00 0.00 C ATOM 0 H ALA A 533 22.987 2.370 -29.343 1.00 0.00 H new ATOM 0 HA ALA A 533 25.448 1.219 -28.565 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.451 -0.757 -29.769 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.259 0.032 -28.708 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.213 0.316 -30.464 1.00 0.00 H new ATOM 297 N ALA A 534 25.657 2.468 -31.488 1.00 0.00 N ATOM 298 CA ALA A 534 26.625 2.814 -32.536 1.00 0.00 C ATOM 299 C ALA A 534 27.906 3.499 -32.001 1.00 0.00 C ATOM 300 O ALA A 534 28.858 3.695 -32.761 1.00 0.00 O ATOM 301 CB ALA A 534 25.917 3.706 -33.566 1.00 0.00 C ATOM 0 H ALA A 534 24.841 3.081 -31.480 1.00 0.00 H new ATOM 0 HA ALA A 534 26.970 1.887 -32.994 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.618 3.976 -34.356 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.075 3.165 -33.998 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.555 4.610 -33.077 1.00 0.00 H new ATOM 307 N GLY A 535 27.944 3.875 -30.715 1.00 0.00 N ATOM 308 CA GLY A 535 29.061 4.607 -30.105 1.00 0.00 C ATOM 309 C GLY A 535 28.968 6.125 -30.304 1.00 0.00 C ATOM 310 O GLY A 535 29.997 6.795 -30.406 1.00 0.00 O ATOM 0 H GLY A 535 27.188 3.676 -30.060 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.091 4.388 -29.038 1.00 0.00 H new ATOM 0 HA3 GLY A 535 29.998 4.248 -30.530 1.00 0.00 H new ATOM 314 N GLU A 536 27.750 6.670 -30.388 1.00 0.00 N ATOM 315 CA GLU A 536 27.483 8.086 -30.681 1.00 0.00 C ATOM 316 C GLU A 536 26.515 8.699 -29.658 1.00 0.00 C ATOM 317 O GLU A 536 25.465 8.125 -29.342 1.00 0.00 O ATOM 318 CB GLU A 536 26.914 8.236 -32.105 1.00 0.00 C ATOM 319 CG GLU A 536 27.906 7.884 -33.226 1.00 0.00 C ATOM 320 CD GLU A 536 29.120 8.833 -33.341 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.131 9.931 -32.732 1.00 0.00 O ATOM 322 OE2 GLU A 536 30.067 8.496 -34.093 1.00 0.00 O ATOM 0 H GLU A 536 26.898 6.126 -30.251 1.00 0.00 H new ATOM 0 HA GLU A 536 28.428 8.625 -30.613 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.035 7.599 -32.201 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.579 9.264 -32.243 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.270 6.870 -33.064 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.373 7.883 -34.177 1.00 0.00 H new ATOM 329 N ARG A 537 26.887 9.878 -29.144 1.00 0.00 N ATOM 330 CA ARG A 537 26.102 10.690 -28.204 1.00 0.00 C ATOM 331 C ARG A 537 25.160 11.644 -28.946 1.00 0.00 C ATOM 332 O ARG A 537 25.525 12.229 -29.967 1.00 0.00 O ATOM 333 CB ARG A 537 27.067 11.434 -27.257 1.00 0.00 C ATOM 334 CG ARG A 537 26.439 12.614 -26.486 1.00 0.00 C ATOM 335 CD ARG A 537 27.230 13.046 -25.244 1.00 0.00 C ATOM 336 NE ARG A 537 28.698 13.057 -25.444 1.00 0.00 N ATOM 337 CZ ARG A 537 29.501 14.103 -25.526 1.00 0.00 C ATOM 338 NH1 ARG A 537 29.048 15.322 -25.551 1.00 0.00 N ATOM 339 NH2 ARG A 537 30.791 13.939 -25.585 1.00 0.00 N ATOM 0 H ARG A 537 27.780 10.311 -29.381 1.00 0.00 H new ATOM 0 HA ARG A 537 25.462 10.042 -27.605 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.468 10.721 -26.537 1.00 0.00 H new ATOM 0 HB3 ARG A 537 27.909 11.807 -27.840 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.348 13.466 -27.160 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.429 12.339 -26.182 1.00 0.00 H new ATOM 0 HD2 ARG A 537 26.906 14.043 -24.947 1.00 0.00 H new ATOM 0 HD3 ARG A 537 26.990 12.374 -24.420 1.00 0.00 H new ATOM 0 HE ARG A 537 29.144 12.144 -25.529 1.00 0.00 H new ATOM 0 HH11 ARG A 537 28.044 15.494 -25.507 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.697 16.106 -25.615 1.00 0.00 H new ATOM 0 HH21 ARG A 537 31.187 12.999 -25.568 1.00 0.00 H new ATOM 0 HH22 ARG A 537 31.406 14.750 -25.648 1.00 0.00 H new ATOM 353 N PHE A 538 23.978 11.844 -28.369 1.00 0.00 N ATOM 354 CA PHE A 538 22.943 12.769 -28.832 1.00 0.00 C ATOM 355 C PHE A 538 22.300 13.493 -27.644 1.00 0.00 C ATOM 356 O PHE A 538 22.290 12.984 -26.519 1.00 0.00 O ATOM 357 CB PHE A 538 21.871 11.988 -29.606 1.00 0.00 C ATOM 358 CG PHE A 538 22.381 11.271 -30.842 1.00 0.00 C ATOM 359 CD1 PHE A 538 22.889 9.963 -30.741 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.361 11.917 -32.091 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.374 9.305 -31.884 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.839 11.254 -33.237 1.00 0.00 C ATOM 363 CZ PHE A 538 23.349 9.949 -33.131 1.00 0.00 C ATOM 0 H PHE A 538 23.701 11.342 -27.525 1.00 0.00 H new ATOM 0 HA PHE A 538 23.399 13.512 -29.486 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.420 11.255 -28.937 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.081 12.678 -29.902 1.00 0.00 H new ATOM 0 HD1 PHE A 538 22.906 9.464 -29.783 1.00 0.00 H new ATOM 0 HD2 PHE A 538 21.978 12.924 -32.171 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.767 8.302 -31.803 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.814 11.748 -34.197 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.722 9.442 -34.009 1.00 0.00 H new ATOM 373 N PHE A 539 21.714 14.657 -27.911 1.00 0.00 N ATOM 374 CA PHE A 539 21.039 15.496 -26.921 1.00 0.00 C ATOM 375 C PHE A 539 19.553 15.646 -27.273 1.00 0.00 C ATOM 376 O PHE A 539 19.171 15.629 -28.447 1.00 0.00 O ATOM 377 CB PHE A 539 21.729 16.865 -26.857 1.00 0.00 C ATOM 378 CG PHE A 539 23.171 16.863 -26.379 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.222 16.579 -27.274 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.467 17.213 -25.047 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.560 16.664 -26.846 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.804 17.300 -24.619 1.00 0.00 C ATOM 383 CZ PHE A 539 25.850 17.039 -25.521 1.00 0.00 C ATOM 0 H PHE A 539 21.694 15.056 -28.850 1.00 0.00 H new ATOM 0 HA PHE A 539 21.104 15.024 -25.941 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.697 17.312 -27.850 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.150 17.511 -26.198 1.00 0.00 H new ATOM 0 HD1 PHE A 539 24.000 16.295 -28.292 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.665 17.415 -24.352 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.363 16.442 -27.533 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.027 17.567 -23.597 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.877 17.126 -25.197 1.00 0.00 H new ATOM 393 N VAL A 540 18.721 15.804 -26.244 1.00 0.00 N ATOM 394 CA VAL A 540 17.254 15.735 -26.289 1.00 0.00 C ATOM 395 C VAL A 540 16.661 16.896 -25.485 1.00 0.00 C ATOM 396 O VAL A 540 16.954 17.057 -24.299 1.00 0.00 O ATOM 397 CB VAL A 540 16.777 14.395 -25.687 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.248 14.282 -25.657 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.316 13.158 -26.422 1.00 0.00 C ATOM 0 H VAL A 540 19.068 15.994 -25.304 1.00 0.00 H new ATOM 0 HA VAL A 540 16.923 15.804 -27.325 1.00 0.00 H new ATOM 0 HB VAL A 540 17.180 14.408 -24.674 1.00 0.00 H new ATOM 0 HG11 VAL A 540 14.962 13.323 -25.225 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.835 15.089 -25.052 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.858 14.353 -26.672 1.00 0.00 H new ATOM 0 HG21 VAL A 540 16.938 12.256 -25.941 1.00 0.00 H new ATOM 0 HG22 VAL A 540 16.988 13.180 -27.461 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.405 13.159 -26.386 1.00 0.00 H new ATOM 409 N ASP A 541 15.789 17.676 -26.123 1.00 0.00 N ATOM 410 CA ASP A 541 15.113 18.835 -25.539 1.00 0.00 C ATOM 411 C ASP A 541 13.624 18.535 -25.305 1.00 0.00 C ATOM 412 O ASP A 541 12.806 18.599 -26.224 1.00 0.00 O ATOM 413 CB ASP A 541 15.295 20.059 -26.448 1.00 0.00 C ATOM 414 CG ASP A 541 14.512 21.253 -25.892 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.822 21.697 -24.764 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.545 21.702 -26.547 1.00 0.00 O ATOM 0 H ASP A 541 15.524 17.513 -27.094 1.00 0.00 H new ATOM 0 HA ASP A 541 15.562 19.055 -24.570 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.353 20.312 -26.523 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.951 19.827 -27.456 1.00 0.00 H new ATOM 421 N HIS A 542 13.251 18.216 -24.062 1.00 0.00 N ATOM 422 CA HIS A 542 11.852 17.962 -23.679 1.00 0.00 C ATOM 423 C HIS A 542 10.934 19.192 -23.835 1.00 0.00 C ATOM 424 O HIS A 542 9.712 19.054 -23.900 1.00 0.00 O ATOM 425 CB HIS A 542 11.798 17.441 -22.232 1.00 0.00 C ATOM 426 CG HIS A 542 12.641 16.216 -21.946 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.257 15.939 -20.721 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.907 15.190 -22.809 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.879 14.759 -20.875 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.694 14.291 -22.122 1.00 0.00 N ATOM 0 H HIS A 542 13.910 18.126 -23.288 1.00 0.00 H new ATOM 0 HA HIS A 542 11.471 17.210 -24.369 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.115 18.242 -21.564 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.761 17.212 -21.986 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.567 15.101 -23.830 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.447 14.257 -20.106 1.00 0.00 H new ATOM 0 HE2 HIS A 542 14.071 13.420 -22.495 1.00 0.00 H new ATOM 437 N ASN A 543 11.504 20.401 -23.907 1.00 0.00 N ATOM 438 CA ASN A 543 10.758 21.661 -24.015 1.00 0.00 C ATOM 439 C ASN A 543 10.092 21.859 -25.396 1.00 0.00 C ATOM 440 O ASN A 543 9.040 22.496 -25.478 1.00 0.00 O ATOM 441 CB ASN A 543 11.694 22.833 -23.667 1.00 0.00 C ATOM 442 CG ASN A 543 12.379 22.648 -22.321 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.784 22.807 -21.263 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.637 22.273 -22.318 1.00 0.00 N ATOM 0 H ASN A 543 12.515 20.534 -23.892 1.00 0.00 H new ATOM 0 HA ASN A 543 9.935 21.624 -23.302 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.450 22.934 -24.446 1.00 0.00 H new ATOM 0 HB3 ASN A 543 11.122 23.761 -23.656 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.120 22.114 -21.434 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.132 22.141 -23.200 1.00 0.00 H new ATOM 451 N THR A 544 10.664 21.288 -26.466 1.00 0.00 N ATOM 452 CA THR A 544 10.152 21.374 -27.856 1.00 0.00 C ATOM 453 C THR A 544 10.123 20.025 -28.594 1.00 0.00 C ATOM 454 O THR A 544 9.802 19.973 -29.783 1.00 0.00 O ATOM 455 CB THR A 544 10.940 22.402 -28.695 1.00 0.00 C ATOM 456 OG1 THR A 544 12.301 22.053 -28.842 1.00 0.00 O ATOM 457 CG2 THR A 544 10.888 23.807 -28.105 1.00 0.00 C ATOM 0 H THR A 544 11.519 20.737 -26.394 1.00 0.00 H new ATOM 0 HA THR A 544 9.119 21.706 -27.749 1.00 0.00 H new ATOM 0 HB THR A 544 10.447 22.392 -29.667 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.715 21.969 -27.958 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.459 24.488 -28.736 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.852 24.142 -28.054 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.316 23.797 -27.102 1.00 0.00 H new ATOM 465 N ARG A 545 10.453 18.926 -27.898 1.00 0.00 N ATOM 466 CA ARG A 545 10.638 17.551 -28.415 1.00 0.00 C ATOM 467 C ARG A 545 11.815 17.387 -29.400 1.00 0.00 C ATOM 468 O ARG A 545 11.999 16.301 -29.956 1.00 0.00 O ATOM 469 CB ARG A 545 9.308 17.017 -28.995 1.00 0.00 C ATOM 470 CG ARG A 545 9.074 15.529 -28.681 1.00 0.00 C ATOM 471 CD ARG A 545 8.058 14.885 -29.631 1.00 0.00 C ATOM 472 NE ARG A 545 6.743 15.556 -29.624 1.00 0.00 N ATOM 473 CZ ARG A 545 5.757 15.335 -30.478 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.846 14.471 -31.449 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.637 15.991 -30.368 1.00 0.00 N ATOM 0 H ARG A 545 10.609 18.972 -26.891 1.00 0.00 H new ATOM 0 HA ARG A 545 10.924 16.937 -27.561 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.481 17.603 -28.593 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.305 17.160 -30.076 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.021 14.993 -28.748 1.00 0.00 H new ATOM 0 HG3 ARG A 545 8.722 15.428 -27.654 1.00 0.00 H new ATOM 0 HD2 ARG A 545 8.459 14.899 -30.644 1.00 0.00 H new ATOM 0 HD3 ARG A 545 7.926 13.839 -29.355 1.00 0.00 H new ATOM 0 HE ARG A 545 6.580 16.252 -28.896 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.702 13.931 -31.575 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.059 14.334 -32.084 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.519 16.677 -29.622 1.00 0.00 H new ATOM 0 HH22 ARG A 545 3.878 15.819 -31.028 1.00 0.00 H new ATOM 489 N ARG A 546 12.598 18.447 -29.644 1.00 0.00 N ATOM 490 CA ARG A 546 13.738 18.464 -30.581 1.00 0.00 C ATOM 491 C ARG A 546 14.955 17.691 -30.061 1.00 0.00 C ATOM 492 O ARG A 546 15.044 17.326 -28.888 1.00 0.00 O ATOM 493 CB ARG A 546 14.119 19.918 -30.914 1.00 0.00 C ATOM 494 CG ARG A 546 13.048 20.616 -31.770 1.00 0.00 C ATOM 495 CD ARG A 546 13.554 21.952 -32.328 1.00 0.00 C ATOM 496 NE ARG A 546 13.944 22.889 -31.257 1.00 0.00 N ATOM 497 CZ ARG A 546 14.797 23.893 -31.366 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.353 24.214 -32.502 1.00 0.00 N ATOM 499 NH2 ARG A 546 15.115 24.601 -30.322 1.00 0.00 N ATOM 0 H ARG A 546 12.454 19.345 -29.183 1.00 0.00 H new ATOM 0 HA ARG A 546 13.416 17.951 -31.488 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.263 20.476 -29.988 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.071 19.930 -31.445 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.758 19.964 -32.594 1.00 0.00 H new ATOM 0 HG3 ARG A 546 12.155 20.787 -31.169 1.00 0.00 H new ATOM 0 HD2 ARG A 546 14.409 21.772 -32.980 1.00 0.00 H new ATOM 0 HD3 ARG A 546 12.776 22.406 -32.941 1.00 0.00 H new ATOM 0 HE ARG A 546 13.513 22.748 -30.343 1.00 0.00 H new ATOM 0 HH11 ARG A 546 15.134 23.683 -33.345 1.00 0.00 H new ATOM 0 HH12 ARG A 546 16.007 24.996 -32.547 1.00 0.00 H new ATOM 0 HH21 ARG A 546 14.706 24.383 -29.414 1.00 0.00 H new ATOM 0 HH22 ARG A 546 15.774 25.375 -30.412 1.00 0.00 H new ATOM 513 N THR A 547 15.913 17.470 -30.957 1.00 0.00 N ATOM 514 CA THR A 547 17.173 16.750 -30.713 1.00 0.00 C ATOM 515 C THR A 547 18.325 17.348 -31.529 1.00 0.00 C ATOM 516 O THR A 547 18.099 18.083 -32.495 1.00 0.00 O ATOM 517 CB THR A 547 17.038 15.264 -31.079 1.00 0.00 C ATOM 518 OG1 THR A 547 16.531 15.120 -32.391 1.00 0.00 O ATOM 519 CG2 THR A 547 16.122 14.486 -30.136 1.00 0.00 C ATOM 0 H THR A 547 15.835 17.800 -31.919 1.00 0.00 H new ATOM 0 HA THR A 547 17.392 16.850 -29.650 1.00 0.00 H new ATOM 0 HB THR A 547 18.044 14.852 -30.995 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.156 14.221 -32.500 1.00 0.00 H new ATOM 0 HG21 THR A 547 16.073 13.444 -30.454 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.516 14.538 -29.121 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.122 14.920 -30.160 1.00 0.00 H new ATOM 527 N THR A 548 19.571 17.054 -31.145 1.00 0.00 N ATOM 528 CA THR A 548 20.783 17.553 -31.827 1.00 0.00 C ATOM 529 C THR A 548 22.023 16.689 -31.537 1.00 0.00 C ATOM 530 O THR A 548 22.059 15.914 -30.576 1.00 0.00 O ATOM 531 CB THR A 548 21.016 19.043 -31.490 1.00 0.00 C ATOM 532 OG1 THR A 548 22.207 19.520 -32.081 1.00 0.00 O ATOM 533 CG2 THR A 548 21.084 19.337 -29.993 1.00 0.00 C ATOM 0 H THR A 548 19.775 16.457 -30.344 1.00 0.00 H new ATOM 0 HA THR A 548 20.614 17.473 -32.901 1.00 0.00 H new ATOM 0 HB THR A 548 20.145 19.556 -31.897 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.329 20.465 -31.853 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.249 20.403 -29.839 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.146 19.043 -29.522 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.905 18.774 -29.549 1.00 0.00 H new ATOM 541 N PHE A 549 23.035 16.802 -32.403 1.00 0.00 N ATOM 542 CA PHE A 549 24.303 16.058 -32.365 1.00 0.00 C ATOM 543 C PHE A 549 25.360 16.694 -31.434 1.00 0.00 C ATOM 544 O PHE A 549 26.397 16.087 -31.165 1.00 0.00 O ATOM 545 CB PHE A 549 24.878 15.988 -33.795 1.00 0.00 C ATOM 546 CG PHE A 549 23.905 15.637 -34.914 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.947 14.620 -34.743 1.00 0.00 C ATOM 548 CD2 PHE A 549 23.960 16.331 -36.139 1.00 0.00 C ATOM 549 CE1 PHE A 549 22.044 14.306 -35.774 1.00 0.00 C ATOM 550 CE2 PHE A 549 23.061 16.016 -37.175 1.00 0.00 C ATOM 551 CZ PHE A 549 22.100 15.006 -36.992 1.00 0.00 C ATOM 0 H PHE A 549 22.992 17.448 -33.191 1.00 0.00 H new ATOM 0 HA PHE A 549 24.082 15.068 -31.967 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.328 16.953 -34.027 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.682 15.252 -33.801 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.905 14.076 -33.811 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.696 17.108 -36.284 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.308 13.528 -35.631 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.109 16.551 -38.112 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.407 14.769 -37.785 1.00 0.00 H new ATOM 561 N GLU A 550 25.123 17.922 -30.964 1.00 0.00 N ATOM 562 CA GLU A 550 26.073 18.752 -30.204 1.00 0.00 C ATOM 563 C GLU A 550 25.363 19.561 -29.096 1.00 0.00 C ATOM 564 O GLU A 550 24.193 19.319 -28.803 1.00 0.00 O ATOM 565 CB GLU A 550 26.868 19.640 -31.188 1.00 0.00 C ATOM 566 CG GLU A 550 26.038 20.724 -31.894 1.00 0.00 C ATOM 567 CD GLU A 550 26.877 21.457 -32.960 1.00 0.00 C ATOM 568 OE1 GLU A 550 27.732 22.299 -32.592 1.00 0.00 O ATOM 569 OE2 GLU A 550 26.685 21.203 -34.175 1.00 0.00 O ATOM 0 H GLU A 550 24.227 18.388 -31.107 1.00 0.00 H new ATOM 0 HA GLU A 550 26.782 18.110 -29.681 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.681 20.121 -30.645 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.324 19.001 -31.944 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.165 20.270 -32.362 1.00 0.00 H new ATOM 0 HG3 GLU A 550 25.670 21.441 -31.160 1.00 0.00 H new ATOM 756 N PRO B2325 18.867 7.984 -35.669 1.00 0.00 N ATOM 757 CA PRO B2325 18.053 9.151 -35.336 1.00 0.00 C ATOM 758 C PRO B2325 17.660 9.130 -33.843 1.00 0.00 C ATOM 759 O PRO B2325 17.015 8.172 -33.400 1.00 0.00 O ATOM 760 CB PRO B2325 16.833 9.071 -36.261 1.00 0.00 C ATOM 761 CG PRO B2325 16.677 7.576 -36.541 1.00 0.00 C ATOM 762 CD PRO B2325 18.113 7.053 -36.499 1.00 0.00 C ATOM 0 HA PRO B2325 18.588 10.089 -35.483 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.943 9.483 -35.784 1.00 0.00 H new ATOM 0 HB3 PRO B2325 16.992 9.635 -37.180 1.00 0.00 H new ATOM 0 HG2 PRO B2325 16.051 7.091 -35.792 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.212 7.396 -37.510 1.00 0.00 H new ATOM 0 HD2 PRO B2325 18.147 6.046 -36.083 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.535 6.998 -37.502 1.00 0.00 H new ATOM 770 N PRO B2326 18.017 10.154 -33.042 1.00 0.00 N ATOM 771 CA PRO B2326 17.575 10.250 -31.652 1.00 0.00 C ATOM 772 C PRO B2326 16.070 10.562 -31.584 1.00 0.00 C ATOM 773 O PRO B2326 15.577 11.493 -32.226 1.00 0.00 O ATOM 774 CB PRO B2326 18.438 11.351 -31.029 1.00 0.00 C ATOM 775 CG PRO B2326 18.740 12.263 -32.215 1.00 0.00 C ATOM 776 CD PRO B2326 18.859 11.294 -33.386 1.00 0.00 C ATOM 0 HA PRO B2326 17.698 9.315 -31.106 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.907 11.880 -30.238 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.349 10.948 -30.587 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.944 12.991 -32.375 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.661 12.826 -32.064 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.528 11.759 -34.314 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.894 10.986 -33.535 1.00 0.00 H new ATOM 784 N SER B2327 15.333 9.781 -30.794 1.00 0.00 N ATOM 785 CA SER B2327 13.879 9.910 -30.609 1.00 0.00 C ATOM 786 C SER B2327 13.486 9.383 -29.225 1.00 0.00 C ATOM 787 O SER B2327 13.192 8.199 -29.061 1.00 0.00 O ATOM 788 CB SER B2327 13.097 9.160 -31.704 1.00 0.00 C ATOM 789 OG SER B2327 13.379 9.654 -33.004 1.00 0.00 O ATOM 0 H SER B2327 15.737 9.020 -30.249 1.00 0.00 H new ATOM 0 HA SER B2327 13.621 10.966 -30.686 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.343 8.099 -31.660 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.028 9.248 -31.509 1.00 0.00 H new ATOM 0 HG SER B2327 12.862 9.148 -33.665 1.00 0.00 H new ATOM 795 N TYR B2328 13.533 10.249 -28.209 1.00 0.00 N ATOM 796 CA TYR B2328 13.113 9.918 -26.841 1.00 0.00 C ATOM 797 C TYR B2328 11.584 10.059 -26.712 1.00 0.00 C ATOM 798 O TYR B2328 10.854 9.108 -26.999 1.00 0.00 O ATOM 799 CB TYR B2328 13.919 10.788 -25.865 1.00 0.00 C ATOM 800 CG TYR B2328 13.707 10.481 -24.393 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.267 9.317 -23.830 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.977 11.369 -23.580 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.100 9.042 -22.458 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.796 11.092 -22.211 1.00 0.00 C ATOM 805 CZ TYR B2328 13.362 9.931 -21.644 1.00 0.00 C ATOM 806 OH TYR B2328 13.189 9.678 -20.317 1.00 0.00 O ATOM 0 H TYR B2328 13.866 11.208 -28.312 1.00 0.00 H new ATOM 0 HA TYR B2328 13.327 8.879 -26.591 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.979 10.675 -26.094 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.665 11.833 -26.041 1.00 0.00 H new ATOM 0 HD1 TYR B2328 14.826 8.633 -24.452 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.554 12.266 -24.008 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.536 8.152 -22.029 1.00 0.00 H new ATOM 0 HE2 TYR B2328 12.223 11.769 -21.595 1.00 0.00 H new ATOM 0 HH TYR B2328 12.657 10.396 -19.914 1.00 0.00 H new ATOM 816 N GLU B2329 11.068 11.257 -26.402 1.00 0.00 N ATOM 817 CA GLU B2329 9.618 11.520 -26.377 1.00 0.00 C ATOM 818 C GLU B2329 8.946 11.273 -27.726 1.00 0.00 C ATOM 819 O GLU B2329 7.831 10.764 -27.770 1.00 0.00 O ATOM 820 CB GLU B2329 9.322 12.956 -25.928 1.00 0.00 C ATOM 821 CG GLU B2329 9.471 13.155 -24.414 1.00 0.00 C ATOM 822 CD GLU B2329 8.821 14.488 -23.993 1.00 0.00 C ATOM 823 OE1 GLU B2329 9.478 15.545 -24.133 1.00 0.00 O ATOM 824 OE2 GLU B2329 7.631 14.473 -23.591 1.00 0.00 O ATOM 0 H GLU B2329 11.638 12.068 -26.163 1.00 0.00 H new ATOM 0 HA GLU B2329 9.203 10.814 -25.658 1.00 0.00 H new ATOM 0 HB2 GLU B2329 9.995 13.639 -26.446 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.308 13.222 -26.225 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.002 12.328 -23.882 1.00 0.00 H new ATOM 0 HG3 GLU B2329 10.526 13.153 -24.140 1.00 0.00 H new ATOM 831 N ASP B2330 9.632 11.568 -28.832 1.00 0.00 N ATOM 832 CA ASP B2330 9.107 11.360 -30.187 1.00 0.00 C ATOM 833 C ASP B2330 8.967 9.881 -30.601 1.00 0.00 C ATOM 834 O ASP B2330 8.380 9.589 -31.645 1.00 0.00 O ATOM 835 CB ASP B2330 9.969 12.157 -31.183 1.00 0.00 C ATOM 836 CG ASP B2330 9.195 12.487 -32.482 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.086 13.067 -32.373 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.706 12.202 -33.591 1.00 0.00 O ATOM 0 H ASP B2330 10.573 11.960 -28.815 1.00 0.00 H new ATOM 0 HA ASP B2330 8.082 11.731 -30.197 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.303 13.083 -30.714 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.863 11.584 -31.429 1.00 0.00 H new ATOM 843 N CYS B2331 9.459 8.949 -29.777 1.00 0.00 N ATOM 844 CA CYS B2331 9.205 7.516 -29.912 1.00 0.00 C ATOM 845 C CYS B2331 8.209 6.987 -28.865 1.00 0.00 C ATOM 846 O CYS B2331 7.355 6.162 -29.202 1.00 0.00 O ATOM 847 CB CYS B2331 10.548 6.776 -29.822 1.00 0.00 C ATOM 848 SG CYS B2331 10.354 5.011 -30.245 1.00 0.00 S ATOM 0 H CYS B2331 10.057 9.178 -28.983 1.00 0.00 H new ATOM 0 HA CYS B2331 8.738 7.336 -30.880 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.268 7.238 -30.498 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.952 6.870 -28.814 1.00 0.00 H new ATOM 0 HG CYS B2331 11.507 4.415 -30.161 1.00 0.00 H new ATOM 854 N ILE B2332 8.272 7.463 -27.611 1.00 0.00 N ATOM 855 CA ILE B2332 7.396 6.961 -26.534 1.00 0.00 C ATOM 856 C ILE B2332 5.979 7.573 -26.526 1.00 0.00 C ATOM 857 O ILE B2332 5.071 6.973 -25.944 1.00 0.00 O ATOM 858 CB ILE B2332 8.058 7.038 -25.138 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.335 8.474 -24.647 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.348 6.199 -25.111 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.310 8.600 -23.120 1.00 0.00 C ATOM 0 H ILE B2332 8.919 8.194 -27.316 1.00 0.00 H new ATOM 0 HA ILE B2332 7.257 5.907 -26.773 1.00 0.00 H new ATOM 0 HB ILE B2332 7.331 6.624 -24.439 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.308 8.797 -25.017 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.592 9.148 -25.074 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.803 6.263 -24.122 1.00 0.00 H new ATOM 0 HG22 ILE B2332 9.110 5.159 -25.335 1.00 0.00 H new ATOM 0 HG23 ILE B2332 10.046 6.580 -25.857 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.512 9.633 -22.837 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.329 8.306 -22.747 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.072 7.950 -22.689 1.00 0.00 H new