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= 0.13 K(o=0.13,f=-0.92) USER MOD Single : A 543 ASN : amide:sc= 1.12 K(o=1.1,f=-0.018) USER MOD Single : A 544 THR OG1 : rot -67:sc= 1.23 USER MOD Single : A 547 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0514 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 24.210 17.326 -14.481 1.00 0.00 N ATOM 117 CA LEU A 523 23.568 17.376 -15.804 1.00 0.00 C ATOM 118 C LEU A 523 23.194 18.819 -16.248 1.00 0.00 C ATOM 119 O LEU A 523 22.991 19.688 -15.390 1.00 0.00 O ATOM 120 CB LEU A 523 22.372 16.394 -15.835 1.00 0.00 C ATOM 121 CG LEU A 523 21.050 16.871 -15.185 1.00 0.00 C ATOM 122 CD1 LEU A 523 19.876 16.650 -16.141 1.00 0.00 C ATOM 123 CD2 LEU A 523 20.747 16.113 -13.891 1.00 0.00 C ATOM 0 HA LEU A 523 24.293 17.050 -16.550 1.00 0.00 H new ATOM 0 HB2 LEU A 523 22.166 16.144 -16.876 1.00 0.00 H new ATOM 0 HB3 LEU A 523 22.678 15.472 -15.341 1.00 0.00 H new ATOM 0 HG LEU A 523 21.175 17.931 -14.963 1.00 0.00 H new ATOM 0 HD11 LEU A 523 18.954 16.990 -15.670 1.00 0.00 H new ATOM 0 HD12 LEU A 523 20.043 17.213 -17.059 1.00 0.00 H new ATOM 0 HD13 LEU A 523 19.793 15.589 -16.376 1.00 0.00 H new ATOM 0 HD21 LEU A 523 19.812 16.477 -13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 523 20.658 15.048 -14.106 1.00 0.00 H new ATOM 0 HD23 LEU A 523 21.556 16.273 -13.178 1.00 0.00 H new ATOM 135 N PRO A 524 23.075 19.095 -17.564 1.00 0.00 N ATOM 136 CA PRO A 524 22.651 20.400 -18.091 1.00 0.00 C ATOM 137 C PRO A 524 21.172 20.745 -17.782 1.00 0.00 C ATOM 138 O PRO A 524 20.353 19.844 -17.567 1.00 0.00 O ATOM 139 CB PRO A 524 22.931 20.343 -19.599 1.00 0.00 C ATOM 140 CG PRO A 524 22.905 18.853 -19.924 1.00 0.00 C ATOM 141 CD PRO A 524 23.445 18.206 -18.655 1.00 0.00 C ATOM 0 HA PRO A 524 23.204 21.204 -17.605 1.00 0.00 H new ATOM 0 HB2 PRO A 524 22.176 20.888 -20.166 1.00 0.00 H new ATOM 0 HB3 PRO A 524 23.896 20.788 -19.843 1.00 0.00 H new ATOM 0 HG2 PRO A 524 21.896 18.509 -20.153 1.00 0.00 H new ATOM 0 HG3 PRO A 524 23.525 18.620 -20.789 1.00 0.00 H new ATOM 0 HD2 PRO A 524 23.019 17.213 -18.511 1.00 0.00 H new ATOM 0 HD3 PRO A 524 24.527 18.084 -18.709 1.00 0.00 H new ATOM 149 N PRO A 525 20.801 22.042 -17.768 1.00 0.00 N ATOM 150 CA PRO A 525 19.497 22.520 -17.290 1.00 0.00 C ATOM 151 C PRO A 525 18.342 22.195 -18.255 1.00 0.00 C ATOM 152 O PRO A 525 18.264 22.742 -19.356 1.00 0.00 O ATOM 153 CB PRO A 525 19.670 24.034 -17.102 1.00 0.00 C ATOM 154 CG PRO A 525 20.755 24.404 -18.112 1.00 0.00 C ATOM 155 CD PRO A 525 21.659 23.174 -18.102 1.00 0.00 C ATOM 0 HA PRO A 525 19.217 22.018 -16.364 1.00 0.00 H new ATOM 0 HB2 PRO A 525 18.741 24.570 -17.298 1.00 0.00 H new ATOM 0 HB3 PRO A 525 19.971 24.279 -16.083 1.00 0.00 H new ATOM 0 HG2 PRO A 525 20.339 24.592 -19.102 1.00 0.00 H new ATOM 0 HG3 PRO A 525 21.293 25.304 -17.816 1.00 0.00 H new ATOM 0 HD2 PRO A 525 22.132 23.031 -19.073 1.00 0.00 H new ATOM 0 HD3 PRO A 525 22.460 23.285 -17.371 1.00 0.00 H new ATOM 163 N GLY A 526 17.413 21.331 -17.832 1.00 0.00 N ATOM 164 CA GLY A 526 16.212 20.977 -18.607 1.00 0.00 C ATOM 165 C GLY A 526 16.485 20.187 -19.897 1.00 0.00 C ATOM 166 O GLY A 526 15.681 20.240 -20.831 1.00 0.00 O ATOM 0 H GLY A 526 17.471 20.851 -16.934 1.00 0.00 H new ATOM 0 HA2 GLY A 526 15.548 20.390 -17.973 1.00 0.00 H new ATOM 0 HA3 GLY A 526 15.680 21.893 -18.865 1.00 0.00 H new ATOM 170 N TRP A 527 17.604 19.459 -19.948 1.00 0.00 N ATOM 171 CA TRP A 527 18.062 18.645 -21.084 1.00 0.00 C ATOM 172 C TRP A 527 18.210 17.165 -20.687 1.00 0.00 C ATOM 173 O TRP A 527 18.353 16.820 -19.512 1.00 0.00 O ATOM 174 CB TRP A 527 19.414 19.189 -21.585 1.00 0.00 C ATOM 175 CG TRP A 527 19.380 20.334 -22.554 1.00 0.00 C ATOM 176 CD1 TRP A 527 19.509 21.641 -22.236 1.00 0.00 C ATOM 177 CD2 TRP A 527 19.283 20.293 -24.014 1.00 0.00 C ATOM 178 NE1 TRP A 527 19.464 22.411 -23.383 1.00 0.00 N ATOM 179 CE2 TRP A 527 19.330 21.631 -24.512 1.00 0.00 C ATOM 180 CE3 TRP A 527 19.183 19.261 -24.972 1.00 0.00 C ATOM 181 CZ2 TRP A 527 19.265 21.928 -25.882 1.00 0.00 C ATOM 182 CZ3 TRP A 527 19.106 19.547 -26.350 1.00 0.00 C ATOM 183 CH2 TRP A 527 19.148 20.876 -26.806 1.00 0.00 C ATOM 0 H TRP A 527 18.250 19.417 -19.159 1.00 0.00 H new ATOM 0 HA TRP A 527 17.317 18.707 -21.877 1.00 0.00 H new ATOM 0 HB2 TRP A 527 19.995 19.500 -20.717 1.00 0.00 H new ATOM 0 HB3 TRP A 527 19.955 18.367 -22.053 1.00 0.00 H new ATOM 0 HD1 TRP A 527 19.629 22.027 -21.234 1.00 0.00 H new ATOM 0 HE1 TRP A 527 19.523 23.429 -23.393 1.00 0.00 H new ATOM 0 HE3 TRP A 527 19.165 18.233 -24.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 527 19.304 22.952 -26.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 527 19.014 18.739 -27.061 1.00 0.00 H new ATOM 0 HH2 TRP A 527 19.091 21.088 -27.863 1.00 0.00 H new ATOM 194 N GLU A 528 18.244 16.293 -21.691 1.00 0.00 N ATOM 195 CA GLU A 528 18.561 14.864 -21.587 1.00 0.00 C ATOM 196 C GLU A 528 19.633 14.504 -22.634 1.00 0.00 C ATOM 197 O GLU A 528 19.746 15.153 -23.677 1.00 0.00 O ATOM 198 CB GLU A 528 17.251 14.060 -21.728 1.00 0.00 C ATOM 199 CG GLU A 528 17.380 12.533 -21.846 1.00 0.00 C ATOM 200 CD GLU A 528 17.910 11.886 -20.552 1.00 0.00 C ATOM 201 OE1 GLU A 528 19.096 12.101 -20.208 1.00 0.00 O ATOM 202 OE2 GLU A 528 17.142 11.160 -19.874 1.00 0.00 O ATOM 0 H GLU A 528 18.041 16.574 -22.650 1.00 0.00 H new ATOM 0 HA GLU A 528 18.987 14.611 -20.616 1.00 0.00 H new ATOM 0 HB2 GLU A 528 16.623 14.281 -20.865 1.00 0.00 H new ATOM 0 HB3 GLU A 528 16.723 14.425 -22.609 1.00 0.00 H new ATOM 0 HG2 GLU A 528 16.407 12.107 -22.090 1.00 0.00 H new ATOM 0 HG3 GLU A 528 18.050 12.290 -22.671 1.00 0.00 H new ATOM 209 N ILE A 529 20.457 13.497 -22.336 1.00 0.00 N ATOM 210 CA ILE A 529 21.676 13.151 -23.081 1.00 0.00 C ATOM 211 C ILE A 529 21.807 11.627 -23.124 1.00 0.00 C ATOM 212 O ILE A 529 21.801 10.967 -22.079 1.00 0.00 O ATOM 213 CB ILE A 529 22.957 13.775 -22.459 1.00 0.00 C ATOM 214 CG1 ILE A 529 22.797 15.221 -21.934 1.00 0.00 C ATOM 215 CG2 ILE A 529 24.074 13.757 -23.516 1.00 0.00 C ATOM 216 CD1 ILE A 529 22.316 15.269 -20.475 1.00 0.00 C ATOM 0 H ILE A 529 20.291 12.877 -21.543 1.00 0.00 H new ATOM 0 HA ILE A 529 21.584 13.562 -24.086 1.00 0.00 H new ATOM 0 HB ILE A 529 23.192 13.166 -21.586 1.00 0.00 H new ATOM 0 HG12 ILE A 529 23.751 15.741 -22.016 1.00 0.00 H new ATOM 0 HG13 ILE A 529 22.087 15.756 -22.565 1.00 0.00 H new ATOM 0 HG21 ILE A 529 24.980 14.192 -23.095 1.00 0.00 H new ATOM 0 HG22 ILE A 529 24.272 12.729 -23.819 1.00 0.00 H new ATOM 0 HG23 ILE A 529 23.763 14.338 -24.384 1.00 0.00 H new ATOM 0 HD11 ILE A 529 22.221 16.307 -20.157 1.00 0.00 H new ATOM 0 HD12 ILE A 529 21.348 14.775 -20.395 1.00 0.00 H new ATOM 0 HD13 ILE A 529 23.038 14.759 -19.837 1.00 0.00 H new ATOM 228 N ARG A 530 21.907 11.058 -24.330 1.00 0.00 N ATOM 229 CA ARG A 530 21.861 9.604 -24.570 1.00 0.00 C ATOM 230 C ARG A 530 23.010 9.142 -25.470 1.00 0.00 C ATOM 231 O ARG A 530 23.604 9.936 -26.203 1.00 0.00 O ATOM 232 CB ARG A 530 20.489 9.210 -25.159 1.00 0.00 C ATOM 233 CG ARG A 530 19.286 9.510 -24.234 1.00 0.00 C ATOM 234 CD ARG A 530 18.475 8.260 -23.864 1.00 0.00 C ATOM 235 NE ARG A 530 19.227 7.356 -22.969 1.00 0.00 N ATOM 236 CZ ARG A 530 18.896 6.121 -22.634 1.00 0.00 C ATOM 237 NH1 ARG A 530 17.822 5.539 -23.090 1.00 0.00 N ATOM 238 NH2 ARG A 530 19.647 5.435 -21.821 1.00 0.00 N ATOM 0 H ARG A 530 22.024 11.601 -25.185 1.00 0.00 H new ATOM 0 HA ARG A 530 21.987 9.095 -23.614 1.00 0.00 H new ATOM 0 HB2 ARG A 530 20.347 9.738 -26.102 1.00 0.00 H new ATOM 0 HB3 ARG A 530 20.498 8.144 -25.388 1.00 0.00 H new ATOM 0 HG2 ARG A 530 19.648 9.983 -23.321 1.00 0.00 H new ATOM 0 HG3 ARG A 530 18.629 10.228 -24.726 1.00 0.00 H new ATOM 0 HD2 ARG A 530 17.547 8.561 -23.378 1.00 0.00 H new ATOM 0 HD3 ARG A 530 18.200 7.724 -24.773 1.00 0.00 H new ATOM 0 HE ARG A 530 20.090 7.723 -22.569 1.00 0.00 H new ATOM 0 HH11 ARG A 530 17.203 6.039 -23.729 1.00 0.00 H new ATOM 0 HH12 ARG A 530 17.601 4.584 -22.808 1.00 0.00 H new ATOM 0 HH21 ARG A 530 20.497 5.850 -21.439 1.00 0.00 H new ATOM 0 HH22 ARG A 530 19.386 4.482 -21.567 1.00 0.00 H new ATOM 252 N TYR A 531 23.296 7.843 -25.408 1.00 0.00 N ATOM 253 CA TYR A 531 24.455 7.189 -26.020 1.00 0.00 C ATOM 254 C TYR A 531 23.979 5.937 -26.773 1.00 0.00 C ATOM 255 O TYR A 531 23.525 4.969 -26.153 1.00 0.00 O ATOM 256 CB TYR A 531 25.487 6.820 -24.936 1.00 0.00 C ATOM 257 CG TYR A 531 25.986 7.959 -24.058 1.00 0.00 C ATOM 258 CD1 TYR A 531 25.222 8.381 -22.949 1.00 0.00 C ATOM 259 CD2 TYR A 531 27.241 8.550 -24.304 1.00 0.00 C ATOM 260 CE1 TYR A 531 25.698 9.401 -22.104 1.00 0.00 C ATOM 261 CE2 TYR A 531 27.734 9.552 -23.444 1.00 0.00 C ATOM 262 CZ TYR A 531 26.959 9.985 -22.344 1.00 0.00 C ATOM 263 OH TYR A 531 27.427 10.947 -21.503 1.00 0.00 O ATOM 0 H TYR A 531 22.699 7.185 -24.907 1.00 0.00 H new ATOM 0 HA TYR A 531 24.937 7.867 -26.724 1.00 0.00 H new ATOM 0 HB2 TYR A 531 25.047 6.059 -24.291 1.00 0.00 H new ATOM 0 HB3 TYR A 531 26.348 6.364 -25.425 1.00 0.00 H new ATOM 0 HD1 TYR A 531 24.267 7.919 -22.748 1.00 0.00 H new ATOM 0 HD2 TYR A 531 27.827 8.234 -25.154 1.00 0.00 H new ATOM 0 HE1 TYR A 531 25.097 9.737 -21.272 1.00 0.00 H new ATOM 0 HE2 TYR A 531 28.705 9.989 -23.626 1.00 0.00 H new ATOM 0 HH TYR A 531 28.310 11.246 -21.806 1.00 0.00 H new ATOM 273 N THR A 532 24.011 5.963 -28.106 1.00 0.00 N ATOM 274 CA THR A 532 23.494 4.870 -28.951 1.00 0.00 C ATOM 275 C THR A 532 24.493 3.715 -29.089 1.00 0.00 C ATOM 276 O THR A 532 25.702 3.881 -28.895 1.00 0.00 O ATOM 277 CB THR A 532 23.099 5.369 -30.350 1.00 0.00 C ATOM 278 OG1 THR A 532 24.213 5.893 -31.036 1.00 0.00 O ATOM 279 CG2 THR A 532 22.010 6.442 -30.298 1.00 0.00 C ATOM 0 H THR A 532 24.397 6.743 -28.638 1.00 0.00 H new ATOM 0 HA THR A 532 22.605 4.497 -28.441 1.00 0.00 H new ATOM 0 HB THR A 532 22.710 4.500 -30.881 1.00 0.00 H new ATOM 0 HG1 THR A 532 23.935 6.202 -31.923 1.00 0.00 H new ATOM 0 HG21 THR A 532 21.766 6.762 -31.311 1.00 0.00 H new ATOM 0 HG22 THR A 532 21.119 6.033 -29.822 1.00 0.00 H new ATOM 0 HG23 THR A 532 22.368 7.297 -29.724 1.00 0.00 H new ATOM 287 N ALA A 533 24.001 2.533 -29.477 1.00 0.00 N ATOM 288 CA ALA A 533 24.830 1.346 -29.727 1.00 0.00 C ATOM 289 C ALA A 533 25.838 1.514 -30.892 1.00 0.00 C ATOM 290 O ALA A 533 26.803 0.752 -30.987 1.00 0.00 O ATOM 291 CB ALA A 533 23.900 0.145 -29.945 1.00 0.00 C ATOM 0 H ALA A 533 23.005 2.371 -29.628 1.00 0.00 H new ATOM 0 HA ALA A 533 25.459 1.184 -28.852 1.00 0.00 H new ATOM 0 HB1 ALA A 533 24.497 -0.748 -30.133 1.00 0.00 H new ATOM 0 HB2 ALA A 533 23.288 -0.008 -29.056 1.00 0.00 H new ATOM 0 HB3 ALA A 533 23.254 0.336 -30.802 1.00 0.00 H new ATOM 297 N ALA A 534 25.655 2.528 -31.750 1.00 0.00 N ATOM 298 CA ALA A 534 26.624 2.946 -32.769 1.00 0.00 C ATOM 299 C ALA A 534 27.913 3.580 -32.191 1.00 0.00 C ATOM 300 O ALA A 534 28.881 3.781 -32.931 1.00 0.00 O ATOM 301 CB ALA A 534 25.924 3.924 -33.724 1.00 0.00 C ATOM 0 H ALA A 534 24.806 3.094 -31.753 1.00 0.00 H new ATOM 0 HA ALA A 534 26.958 2.051 -33.294 1.00 0.00 H new ATOM 0 HB1 ALA A 534 26.627 4.249 -34.491 1.00 0.00 H new ATOM 0 HB2 ALA A 534 25.076 3.428 -34.195 1.00 0.00 H new ATOM 0 HB3 ALA A 534 25.572 4.790 -33.164 1.00 0.00 H new ATOM 307 N GLY A 535 27.943 3.908 -30.892 1.00 0.00 N ATOM 308 CA GLY A 535 29.080 4.557 -30.228 1.00 0.00 C ATOM 309 C GLY A 535 29.071 6.084 -30.363 1.00 0.00 C ATOM 310 O GLY A 535 30.134 6.704 -30.434 1.00 0.00 O ATOM 0 H GLY A 535 27.162 3.726 -30.262 1.00 0.00 H new ATOM 0 HA2 GLY A 535 29.073 4.293 -29.171 1.00 0.00 H new ATOM 0 HA3 GLY A 535 30.007 4.168 -30.648 1.00 0.00 H new ATOM 314 N GLU A 536 27.885 6.696 -30.424 1.00 0.00 N ATOM 315 CA GLU A 536 27.683 8.139 -30.619 1.00 0.00 C ATOM 316 C GLU A 536 26.757 8.734 -29.545 1.00 0.00 C ATOM 317 O GLU A 536 25.933 8.032 -28.950 1.00 0.00 O ATOM 318 CB GLU A 536 27.100 8.405 -32.021 1.00 0.00 C ATOM 319 CG GLU A 536 28.024 8.031 -33.191 1.00 0.00 C ATOM 320 CD GLU A 536 29.354 8.815 -33.239 1.00 0.00 C ATOM 321 OE1 GLU A 536 29.453 9.928 -32.666 1.00 0.00 O ATOM 322 OE2 GLU A 536 30.306 8.333 -33.900 1.00 0.00 O ATOM 0 H GLU A 536 27.007 6.185 -30.336 1.00 0.00 H new ATOM 0 HA GLU A 536 28.654 8.625 -30.529 1.00 0.00 H new ATOM 0 HB2 GLU A 536 26.168 7.849 -32.122 1.00 0.00 H new ATOM 0 HB3 GLU A 536 26.850 9.463 -32.099 1.00 0.00 H new ATOM 0 HG2 GLU A 536 28.248 6.966 -33.133 1.00 0.00 H new ATOM 0 HG3 GLU A 536 27.488 8.194 -34.126 1.00 0.00 H new ATOM 329 N ARG A 537 26.886 10.045 -29.311 1.00 0.00 N ATOM 330 CA ARG A 537 26.184 10.804 -28.263 1.00 0.00 C ATOM 331 C ARG A 537 25.269 11.862 -28.881 1.00 0.00 C ATOM 332 O ARG A 537 25.635 12.522 -29.856 1.00 0.00 O ATOM 333 CB ARG A 537 27.232 11.407 -27.307 1.00 0.00 C ATOM 334 CG ARG A 537 26.675 12.417 -26.287 1.00 0.00 C ATOM 335 CD ARG A 537 27.786 12.831 -25.313 1.00 0.00 C ATOM 336 NE ARG A 537 27.423 14.024 -24.525 1.00 0.00 N ATOM 337 CZ ARG A 537 28.135 14.550 -23.544 1.00 0.00 C ATOM 338 NH1 ARG A 537 29.258 14.025 -23.138 1.00 0.00 N ATOM 339 NH2 ARG A 537 27.735 15.634 -22.945 1.00 0.00 N ATOM 0 H ARG A 537 27.507 10.632 -29.868 1.00 0.00 H new ATOM 0 HA ARG A 537 25.535 10.144 -27.687 1.00 0.00 H new ATOM 0 HB2 ARG A 537 27.717 10.595 -26.765 1.00 0.00 H new ATOM 0 HB3 ARG A 537 28.003 11.899 -27.900 1.00 0.00 H new ATOM 0 HG2 ARG A 537 26.285 13.294 -26.804 1.00 0.00 H new ATOM 0 HG3 ARG A 537 25.843 11.974 -25.739 1.00 0.00 H new ATOM 0 HD2 ARG A 537 28.001 12.003 -24.637 1.00 0.00 H new ATOM 0 HD3 ARG A 537 28.700 13.032 -25.872 1.00 0.00 H new ATOM 0 HE ARG A 537 26.543 14.484 -24.758 1.00 0.00 H new ATOM 0 HH11 ARG A 537 29.615 13.179 -23.581 1.00 0.00 H new ATOM 0 HH12 ARG A 537 29.779 14.461 -22.377 1.00 0.00 H new ATOM 0 HH21 ARG A 537 26.866 16.084 -23.232 1.00 0.00 H new ATOM 0 HH22 ARG A 537 28.291 16.033 -22.189 1.00 0.00 H new ATOM 353 N PHE A 538 24.092 12.029 -28.284 1.00 0.00 N ATOM 354 CA PHE A 538 23.023 12.912 -28.755 1.00 0.00 C ATOM 355 C PHE A 538 22.352 13.633 -27.582 1.00 0.00 C ATOM 356 O PHE A 538 22.336 13.131 -26.454 1.00 0.00 O ATOM 357 CB PHE A 538 21.973 12.086 -29.516 1.00 0.00 C ATOM 358 CG PHE A 538 22.494 11.366 -30.746 1.00 0.00 C ATOM 359 CD1 PHE A 538 23.048 10.077 -30.631 1.00 0.00 C ATOM 360 CD2 PHE A 538 22.426 11.984 -32.007 1.00 0.00 C ATOM 361 CE1 PHE A 538 23.536 9.416 -31.770 1.00 0.00 C ATOM 362 CE2 PHE A 538 22.902 11.315 -33.151 1.00 0.00 C ATOM 363 CZ PHE A 538 23.460 10.031 -33.031 1.00 0.00 C ATOM 0 H PHE A 538 23.845 11.535 -27.426 1.00 0.00 H new ATOM 0 HA PHE A 538 23.460 13.660 -29.417 1.00 0.00 H new ATOM 0 HB2 PHE A 538 21.548 11.349 -28.834 1.00 0.00 H new ATOM 0 HB3 PHE A 538 21.160 12.747 -29.817 1.00 0.00 H new ATOM 0 HD1 PHE A 538 23.098 9.596 -29.665 1.00 0.00 H new ATOM 0 HD2 PHE A 538 22.007 12.975 -32.099 1.00 0.00 H new ATOM 0 HE1 PHE A 538 23.971 8.432 -31.676 1.00 0.00 H new ATOM 0 HE2 PHE A 538 22.838 11.788 -34.120 1.00 0.00 H new ATOM 0 HZ PHE A 538 23.830 9.518 -33.906 1.00 0.00 H new ATOM 373 N PHE A 539 21.748 14.784 -27.871 1.00 0.00 N ATOM 374 CA PHE A 539 21.077 15.644 -26.896 1.00 0.00 C ATOM 375 C PHE A 539 19.591 15.787 -27.251 1.00 0.00 C ATOM 376 O PHE A 539 19.211 15.789 -28.426 1.00 0.00 O ATOM 377 CB PHE A 539 21.772 17.013 -26.858 1.00 0.00 C ATOM 378 CG PHE A 539 23.235 16.998 -26.446 1.00 0.00 C ATOM 379 CD1 PHE A 539 24.238 16.704 -27.391 1.00 0.00 C ATOM 380 CD2 PHE A 539 23.599 17.323 -25.125 1.00 0.00 C ATOM 381 CE1 PHE A 539 25.594 16.729 -27.016 1.00 0.00 C ATOM 382 CE2 PHE A 539 24.956 17.368 -24.755 1.00 0.00 C ATOM 383 CZ PHE A 539 25.954 17.073 -25.702 1.00 0.00 C ATOM 0 H PHE A 539 21.710 15.156 -28.820 1.00 0.00 H new ATOM 0 HA PHE A 539 21.142 15.194 -25.905 1.00 0.00 H new ATOM 0 HB2 PHE A 539 21.697 17.466 -27.847 1.00 0.00 H new ATOM 0 HB3 PHE A 539 21.226 17.658 -26.169 1.00 0.00 H new ATOM 0 HD1 PHE A 539 23.965 16.459 -28.407 1.00 0.00 H new ATOM 0 HD2 PHE A 539 22.834 17.538 -24.393 1.00 0.00 H new ATOM 0 HE1 PHE A 539 26.358 16.484 -27.738 1.00 0.00 H new ATOM 0 HE2 PHE A 539 25.231 17.629 -23.744 1.00 0.00 H new ATOM 0 HZ PHE A 539 26.996 17.111 -25.419 1.00 0.00 H new ATOM 393 N VAL A 540 18.754 15.909 -26.220 1.00 0.00 N ATOM 394 CA VAL A 540 17.289 15.817 -26.275 1.00 0.00 C ATOM 395 C VAL A 540 16.673 16.939 -25.433 1.00 0.00 C ATOM 396 O VAL A 540 16.932 17.047 -24.233 1.00 0.00 O ATOM 397 CB VAL A 540 16.836 14.442 -25.736 1.00 0.00 C ATOM 398 CG1 VAL A 540 15.310 14.303 -25.692 1.00 0.00 C ATOM 399 CG2 VAL A 540 17.388 13.256 -26.543 1.00 0.00 C ATOM 0 H VAL A 540 19.094 16.084 -25.274 1.00 0.00 H new ATOM 0 HA VAL A 540 16.956 15.922 -27.308 1.00 0.00 H new ATOM 0 HB VAL A 540 17.246 14.409 -24.727 1.00 0.00 H new ATOM 0 HG11 VAL A 540 15.045 13.319 -25.306 1.00 0.00 H new ATOM 0 HG12 VAL A 540 14.893 15.072 -25.042 1.00 0.00 H new ATOM 0 HG13 VAL A 540 14.905 14.419 -26.697 1.00 0.00 H new ATOM 0 HG21 VAL A 540 17.030 12.322 -26.109 1.00 0.00 H new ATOM 0 HG22 VAL A 540 17.049 13.329 -27.576 1.00 0.00 H new ATOM 0 HG23 VAL A 540 18.478 13.274 -26.517 1.00 0.00 H new ATOM 409 N ASP A 541 15.830 17.759 -26.059 1.00 0.00 N ATOM 410 CA ASP A 541 15.125 18.880 -25.434 1.00 0.00 C ATOM 411 C ASP A 541 13.648 18.526 -25.204 1.00 0.00 C ATOM 412 O ASP A 541 12.840 18.524 -26.134 1.00 0.00 O ATOM 413 CB ASP A 541 15.261 20.131 -26.315 1.00 0.00 C ATOM 414 CG ASP A 541 14.425 21.284 -25.750 1.00 0.00 C ATOM 415 OD1 ASP A 541 14.743 21.769 -24.642 1.00 0.00 O ATOM 416 OD2 ASP A 541 13.416 21.671 -26.386 1.00 0.00 O ATOM 0 H ASP A 541 15.611 17.659 -27.050 1.00 0.00 H new ATOM 0 HA ASP A 541 15.572 19.088 -24.462 1.00 0.00 H new ATOM 0 HB2 ASP A 541 16.308 20.429 -26.373 1.00 0.00 H new ATOM 0 HB3 ASP A 541 14.937 19.904 -27.331 1.00 0.00 H new ATOM 421 N HIS A 542 13.273 18.229 -23.957 1.00 0.00 N ATOM 422 CA HIS A 542 11.880 17.923 -23.588 1.00 0.00 C ATOM 423 C HIS A 542 10.925 19.125 -23.722 1.00 0.00 C ATOM 424 O HIS A 542 9.711 18.937 -23.806 1.00 0.00 O ATOM 425 CB HIS A 542 11.837 17.376 -22.151 1.00 0.00 C ATOM 426 CG HIS A 542 12.649 16.123 -21.905 1.00 0.00 C ATOM 427 ND1 HIS A 542 13.234 15.778 -20.682 1.00 0.00 N ATOM 428 CD2 HIS A 542 12.888 15.119 -22.802 1.00 0.00 C ATOM 429 CE1 HIS A 542 13.813 14.580 -20.872 1.00 0.00 C ATOM 430 NE2 HIS A 542 13.627 14.166 -22.137 1.00 0.00 N ATOM 0 H HIS A 542 13.923 18.193 -23.172 1.00 0.00 H new ATOM 0 HA HIS A 542 11.527 17.173 -24.296 1.00 0.00 H new ATOM 0 HB2 HIS A 542 12.189 18.154 -21.474 1.00 0.00 H new ATOM 0 HB3 HIS A 542 10.799 17.172 -21.890 1.00 0.00 H new ATOM 0 HD2 HIS A 542 12.561 15.081 -23.831 1.00 0.00 H new ATOM 0 HE1 HIS A 542 14.351 14.028 -20.115 1.00 0.00 H new ATOM 0 HE2 HIS A 542 13.974 13.294 -22.537 1.00 0.00 H new ATOM 437 N ASN A 543 11.453 20.356 -23.750 1.00 0.00 N ATOM 438 CA ASN A 543 10.667 21.597 -23.793 1.00 0.00 C ATOM 439 C ASN A 543 9.965 21.831 -25.148 1.00 0.00 C ATOM 440 O ASN A 543 8.870 22.399 -25.184 1.00 0.00 O ATOM 441 CB ASN A 543 11.584 22.783 -23.439 1.00 0.00 C ATOM 442 CG ASN A 543 12.305 22.587 -22.114 1.00 0.00 C ATOM 443 OD1 ASN A 543 11.729 22.708 -21.040 1.00 0.00 O ATOM 444 ND2 ASN A 543 13.573 22.252 -22.147 1.00 0.00 N ATOM 0 H ASN A 543 12.460 20.521 -23.743 1.00 0.00 H new ATOM 0 HA ASN A 543 9.866 21.506 -23.059 1.00 0.00 H new ATOM 0 HB2 ASN A 543 12.319 22.919 -24.232 1.00 0.00 H new ATOM 0 HB3 ASN A 543 10.991 23.696 -23.394 1.00 0.00 H new ATOM 0 HD21 ASN A 543 14.081 22.092 -21.277 1.00 0.00 H new ATOM 0 HD22 ASN A 543 14.051 22.152 -23.043 1.00 0.00 H new ATOM 451 N THR A 544 10.565 21.369 -26.253 1.00 0.00 N ATOM 452 CA THR A 544 10.056 21.519 -27.636 1.00 0.00 C ATOM 453 C THR A 544 10.107 20.218 -28.456 1.00 0.00 C ATOM 454 O THR A 544 9.776 20.213 -29.645 1.00 0.00 O ATOM 455 CB THR A 544 10.808 22.630 -28.395 1.00 0.00 C ATOM 456 OG1 THR A 544 12.163 22.292 -28.599 1.00 0.00 O ATOM 457 CG2 THR A 544 10.765 23.987 -27.690 1.00 0.00 C ATOM 0 H THR A 544 11.449 20.862 -26.215 1.00 0.00 H new ATOM 0 HA THR A 544 9.007 21.793 -27.525 1.00 0.00 H new ATOM 0 HB THR A 544 10.285 22.716 -29.347 1.00 0.00 H new ATOM 0 HG1 THR A 544 12.629 22.274 -27.737 1.00 0.00 H new ATOM 0 HG21 THR A 544 11.314 24.721 -28.280 1.00 0.00 H new ATOM 0 HG22 THR A 544 9.729 24.309 -27.583 1.00 0.00 H new ATOM 0 HG23 THR A 544 11.221 23.899 -26.704 1.00 0.00 H new ATOM 465 N ARG A 545 10.512 19.104 -27.824 1.00 0.00 N ATOM 466 CA ARG A 545 10.750 17.769 -28.413 1.00 0.00 C ATOM 467 C ARG A 545 11.870 17.721 -29.473 1.00 0.00 C ATOM 468 O ARG A 545 11.980 16.741 -30.215 1.00 0.00 O ATOM 469 CB ARG A 545 9.408 17.159 -28.874 1.00 0.00 C ATOM 470 CG ARG A 545 9.345 15.645 -28.621 1.00 0.00 C ATOM 471 CD ARG A 545 8.020 15.020 -29.077 1.00 0.00 C ATOM 472 NE ARG A 545 6.861 15.534 -28.314 1.00 0.00 N ATOM 473 CZ ARG A 545 5.916 16.355 -28.740 1.00 0.00 C ATOM 474 NH1 ARG A 545 5.892 16.832 -29.954 1.00 0.00 N ATOM 475 NH2 ARG A 545 4.956 16.715 -27.941 1.00 0.00 N ATOM 0 H ARG A 545 10.695 19.109 -26.821 1.00 0.00 H new ATOM 0 HA ARG A 545 11.156 17.131 -27.628 1.00 0.00 H new ATOM 0 HB2 ARG A 545 8.588 17.648 -28.348 1.00 0.00 H new ATOM 0 HB3 ARG A 545 9.267 17.355 -29.937 1.00 0.00 H new ATOM 0 HG2 ARG A 545 10.169 15.159 -29.144 1.00 0.00 H new ATOM 0 HG3 ARG A 545 9.485 15.453 -27.557 1.00 0.00 H new ATOM 0 HD2 ARG A 545 7.872 15.223 -30.138 1.00 0.00 H new ATOM 0 HD3 ARG A 545 8.074 13.937 -28.964 1.00 0.00 H new ATOM 0 HE ARG A 545 6.782 15.218 -27.347 1.00 0.00 H new ATOM 0 HH11 ARG A 545 6.622 16.574 -30.618 1.00 0.00 H new ATOM 0 HH12 ARG A 545 5.143 17.463 -30.239 1.00 0.00 H new ATOM 0 HH21 ARG A 545 4.931 16.364 -26.984 1.00 0.00 H new ATOM 0 HH22 ARG A 545 4.228 17.348 -28.271 1.00 0.00 H new ATOM 489 N ARG A 546 12.704 18.767 -29.558 1.00 0.00 N ATOM 490 CA ARG A 546 13.882 18.852 -30.445 1.00 0.00 C ATOM 491 C ARG A 546 15.033 17.943 -30.000 1.00 0.00 C ATOM 492 O ARG A 546 15.105 17.502 -28.851 1.00 0.00 O ATOM 493 CB ARG A 546 14.361 20.317 -30.538 1.00 0.00 C ATOM 494 CG ARG A 546 13.533 21.180 -31.508 1.00 0.00 C ATOM 495 CD ARG A 546 13.674 20.772 -32.984 1.00 0.00 C ATOM 496 NE ARG A 546 15.063 20.902 -33.483 1.00 0.00 N ATOM 497 CZ ARG A 546 15.687 20.116 -34.345 1.00 0.00 C ATOM 498 NH1 ARG A 546 15.157 19.017 -34.803 1.00 0.00 N ATOM 499 NH2 ARG A 546 16.869 20.425 -34.788 1.00 0.00 N ATOM 0 H ARG A 546 12.576 19.607 -28.994 1.00 0.00 H new ATOM 0 HA ARG A 546 13.570 18.499 -31.428 1.00 0.00 H new ATOM 0 HB2 ARG A 546 14.324 20.765 -29.545 1.00 0.00 H new ATOM 0 HB3 ARG A 546 15.404 20.329 -30.855 1.00 0.00 H new ATOM 0 HG2 ARG A 546 12.482 21.121 -31.224 1.00 0.00 H new ATOM 0 HG3 ARG A 546 13.835 22.222 -31.399 1.00 0.00 H new ATOM 0 HD2 ARG A 546 13.344 19.740 -33.105 1.00 0.00 H new ATOM 0 HD3 ARG A 546 13.014 21.391 -33.592 1.00 0.00 H new ATOM 0 HE ARG A 546 15.601 21.689 -33.120 1.00 0.00 H new ATOM 0 HH11 ARG A 546 14.226 18.734 -34.498 1.00 0.00 H new ATOM 0 HH12 ARG A 546 15.673 18.440 -35.467 1.00 0.00 H new ATOM 0 HH21 ARG A 546 17.325 21.281 -34.471 1.00 0.00 H new ATOM 0 HH22 ARG A 546 17.341 19.812 -35.452 1.00 0.00 H new ATOM 513 N THR A 547 15.963 17.709 -30.923 1.00 0.00 N ATOM 514 CA THR A 547 17.173 16.889 -30.739 1.00 0.00 C ATOM 515 C THR A 547 18.335 17.422 -31.582 1.00 0.00 C ATOM 516 O THR A 547 18.111 18.024 -32.634 1.00 0.00 O ATOM 517 CB THR A 547 16.926 15.423 -31.142 1.00 0.00 C ATOM 518 OG1 THR A 547 16.345 15.335 -32.430 1.00 0.00 O ATOM 519 CG2 THR A 547 15.994 14.696 -30.175 1.00 0.00 C ATOM 0 H THR A 547 15.897 18.100 -31.863 1.00 0.00 H new ATOM 0 HA THR A 547 17.425 16.942 -29.680 1.00 0.00 H new ATOM 0 HB THR A 547 17.908 14.951 -31.125 1.00 0.00 H new ATOM 0 HG1 THR A 547 16.201 14.393 -32.660 1.00 0.00 H new ATOM 0 HG21 THR A 547 15.855 13.667 -30.508 1.00 0.00 H new ATOM 0 HG22 THR A 547 16.432 14.699 -29.177 1.00 0.00 H new ATOM 0 HG23 THR A 547 15.029 15.202 -30.150 1.00 0.00 H new ATOM 527 N THR A 548 19.577 17.182 -31.154 1.00 0.00 N ATOM 528 CA THR A 548 20.791 17.647 -31.855 1.00 0.00 C ATOM 529 C THR A 548 22.028 16.792 -31.529 1.00 0.00 C ATOM 530 O THR A 548 22.053 16.041 -30.548 1.00 0.00 O ATOM 531 CB THR A 548 21.022 19.149 -31.579 1.00 0.00 C ATOM 532 OG1 THR A 548 22.189 19.623 -32.218 1.00 0.00 O ATOM 533 CG2 THR A 548 21.122 19.494 -30.094 1.00 0.00 C ATOM 0 H THR A 548 19.777 16.655 -30.304 1.00 0.00 H new ATOM 0 HA THR A 548 20.628 17.521 -32.925 1.00 0.00 H new ATOM 0 HB THR A 548 20.137 19.639 -31.985 1.00 0.00 H new ATOM 0 HG1 THR A 548 22.304 20.577 -32.024 1.00 0.00 H new ATOM 0 HG21 THR A 548 21.284 20.566 -29.980 1.00 0.00 H new ATOM 0 HG22 THR A 548 20.197 19.211 -29.592 1.00 0.00 H new ATOM 0 HG23 THR A 548 21.956 18.951 -29.650 1.00 0.00 H new ATOM 541 N PHE A 549 23.051 16.880 -32.385 1.00 0.00 N ATOM 542 CA PHE A 549 24.300 16.106 -32.331 1.00 0.00 C ATOM 543 C PHE A 549 25.362 16.709 -31.385 1.00 0.00 C ATOM 544 O PHE A 549 26.368 16.064 -31.084 1.00 0.00 O ATOM 545 CB PHE A 549 24.884 16.021 -33.756 1.00 0.00 C ATOM 546 CG PHE A 549 23.913 15.688 -34.885 1.00 0.00 C ATOM 547 CD1 PHE A 549 22.917 14.707 -34.715 1.00 0.00 C ATOM 548 CD2 PHE A 549 24.009 16.363 -36.119 1.00 0.00 C ATOM 549 CE1 PHE A 549 22.018 14.412 -35.756 1.00 0.00 C ATOM 550 CE2 PHE A 549 23.115 16.066 -37.164 1.00 0.00 C ATOM 551 CZ PHE A 549 22.118 15.092 -36.983 1.00 0.00 C ATOM 0 H PHE A 549 23.032 17.525 -33.175 1.00 0.00 H new ATOM 0 HA PHE A 549 24.053 15.122 -31.933 1.00 0.00 H new ATOM 0 HB2 PHE A 549 25.356 16.976 -33.986 1.00 0.00 H new ATOM 0 HB3 PHE A 549 25.672 15.268 -33.754 1.00 0.00 H new ATOM 0 HD1 PHE A 549 22.843 14.177 -33.777 1.00 0.00 H new ATOM 0 HD2 PHE A 549 24.773 17.112 -36.263 1.00 0.00 H new ATOM 0 HE1 PHE A 549 21.252 13.664 -35.613 1.00 0.00 H new ATOM 0 HE2 PHE A 549 23.195 16.587 -38.107 1.00 0.00 H new ATOM 0 HZ PHE A 549 21.430 14.866 -37.784 1.00 0.00 H new ATOM 561 N GLU A 550 25.168 17.953 -30.938 1.00 0.00 N ATOM 562 CA GLU A 550 26.122 18.751 -30.149 1.00 0.00 C ATOM 563 C GLU A 550 25.393 19.751 -29.220 1.00 0.00 C ATOM 564 O GLU A 550 24.186 19.638 -29.012 1.00 0.00 O ATOM 565 CB GLU A 550 27.131 19.431 -31.103 1.00 0.00 C ATOM 566 CG GLU A 550 26.523 20.466 -32.062 1.00 0.00 C ATOM 567 CD GLU A 550 27.596 21.026 -33.013 1.00 0.00 C ATOM 568 OE1 GLU A 550 28.299 21.997 -32.637 1.00 0.00 O ATOM 569 OE2 GLU A 550 27.746 20.505 -34.145 1.00 0.00 O ATOM 0 H GLU A 550 24.302 18.459 -31.123 1.00 0.00 H new ATOM 0 HA GLU A 550 26.684 18.095 -29.484 1.00 0.00 H new ATOM 0 HB2 GLU A 550 27.900 19.920 -30.505 1.00 0.00 H new ATOM 0 HB3 GLU A 550 27.627 18.660 -31.692 1.00 0.00 H new ATOM 0 HG2 GLU A 550 25.722 20.006 -32.641 1.00 0.00 H new ATOM 0 HG3 GLU A 550 26.076 21.280 -31.491 1.00 0.00 H new ATOM 756 N PRO B2325 18.768 7.733 -35.386 1.00 0.00 N ATOM 757 CA PRO B2325 18.059 8.980 -35.108 1.00 0.00 C ATOM 758 C PRO B2325 17.678 9.080 -33.615 1.00 0.00 C ATOM 759 O PRO B2325 17.045 8.156 -33.089 1.00 0.00 O ATOM 760 CB PRO B2325 16.824 8.954 -36.016 1.00 0.00 C ATOM 761 CG PRO B2325 16.539 7.465 -36.208 1.00 0.00 C ATOM 762 CD PRO B2325 17.928 6.830 -36.165 1.00 0.00 C ATOM 0 HA PRO B2325 18.676 9.856 -35.309 1.00 0.00 H new ATOM 0 HB2 PRO B2325 15.979 9.466 -35.556 1.00 0.00 H new ATOM 0 HB3 PRO B2325 17.017 9.450 -36.967 1.00 0.00 H new ATOM 0 HG2 PRO B2325 15.894 7.075 -35.421 1.00 0.00 H new ATOM 0 HG3 PRO B2325 16.038 7.271 -37.156 1.00 0.00 H new ATOM 0 HD2 PRO B2325 17.890 5.842 -35.706 1.00 0.00 H new ATOM 0 HD3 PRO B2325 18.327 6.699 -37.171 1.00 0.00 H new ATOM 770 N PRO B2326 18.022 10.176 -32.909 1.00 0.00 N ATOM 771 CA PRO B2326 17.586 10.391 -31.532 1.00 0.00 C ATOM 772 C PRO B2326 16.078 10.697 -31.483 1.00 0.00 C ATOM 773 O PRO B2326 15.607 11.664 -32.086 1.00 0.00 O ATOM 774 CB PRO B2326 18.443 11.549 -31.012 1.00 0.00 C ATOM 775 CG PRO B2326 18.751 12.355 -32.273 1.00 0.00 C ATOM 776 CD PRO B2326 18.855 11.285 -33.358 1.00 0.00 C ATOM 0 HA PRO B2326 17.719 9.508 -30.907 1.00 0.00 H new ATOM 0 HB2 PRO B2326 17.907 12.146 -30.274 1.00 0.00 H new ATOM 0 HB3 PRO B2326 19.353 11.191 -30.531 1.00 0.00 H new ATOM 0 HG2 PRO B2326 17.963 13.075 -32.493 1.00 0.00 H new ATOM 0 HG3 PRO B2326 19.679 12.918 -32.174 1.00 0.00 H new ATOM 0 HD2 PRO B2326 18.510 11.668 -34.318 1.00 0.00 H new ATOM 0 HD3 PRO B2326 19.888 10.967 -33.494 1.00 0.00 H new ATOM 784 N SER B2327 15.327 9.876 -30.744 1.00 0.00 N ATOM 785 CA SER B2327 13.871 9.991 -30.555 1.00 0.00 C ATOM 786 C SER B2327 13.485 9.464 -29.169 1.00 0.00 C ATOM 787 O SER B2327 13.296 8.261 -28.984 1.00 0.00 O ATOM 788 CB SER B2327 13.096 9.217 -31.638 1.00 0.00 C ATOM 789 OG SER B2327 13.299 9.756 -32.934 1.00 0.00 O ATOM 0 H SER B2327 15.726 9.083 -30.241 1.00 0.00 H new ATOM 0 HA SER B2327 13.605 11.045 -30.638 1.00 0.00 H new ATOM 0 HB2 SER B2327 13.408 8.173 -31.628 1.00 0.00 H new ATOM 0 HB3 SER B2327 12.032 9.234 -31.402 1.00 0.00 H new ATOM 0 HG SER B2327 12.791 9.234 -33.589 1.00 0.00 H new ATOM 795 N TYR B2328 13.409 10.358 -28.178 1.00 0.00 N ATOM 796 CA TYR B2328 12.991 10.027 -26.809 1.00 0.00 C ATOM 797 C TYR B2328 11.458 10.129 -26.692 1.00 0.00 C ATOM 798 O TYR B2328 10.748 9.174 -27.011 1.00 0.00 O ATOM 799 CB TYR B2328 13.762 10.932 -25.833 1.00 0.00 C ATOM 800 CG TYR B2328 13.584 10.603 -24.361 1.00 0.00 C ATOM 801 CD1 TYR B2328 14.348 9.570 -23.782 1.00 0.00 C ATOM 802 CD2 TYR B2328 12.687 11.342 -23.562 1.00 0.00 C ATOM 803 CE1 TYR B2328 14.219 9.274 -22.411 1.00 0.00 C ATOM 804 CE2 TYR B2328 12.549 11.042 -22.192 1.00 0.00 C ATOM 805 CZ TYR B2328 13.316 10.010 -21.612 1.00 0.00 C ATOM 806 OH TYR B2328 13.184 9.734 -20.287 1.00 0.00 O ATOM 0 H TYR B2328 13.638 11.344 -28.304 1.00 0.00 H new ATOM 0 HA TYR B2328 13.236 8.997 -26.550 1.00 0.00 H new ATOM 0 HB2 TYR B2328 14.823 10.877 -26.074 1.00 0.00 H new ATOM 0 HB3 TYR B2328 13.451 11.964 -25.998 1.00 0.00 H new ATOM 0 HD1 TYR B2328 15.035 9.003 -24.392 1.00 0.00 H new ATOM 0 HD2 TYR B2328 12.105 12.139 -24.001 1.00 0.00 H new ATOM 0 HE1 TYR B2328 14.810 8.485 -21.971 1.00 0.00 H new ATOM 0 HE2 TYR B2328 11.854 11.603 -21.585 1.00 0.00 H new ATOM 0 HH TYR B2328 12.521 10.337 -19.892 1.00 0.00 H new ATOM 816 N GLU B2329 10.934 11.313 -26.353 1.00 0.00 N ATOM 817 CA GLU B2329 9.497 11.630 -26.306 1.00 0.00 C ATOM 818 C GLU B2329 8.796 11.352 -27.645 1.00 0.00 C ATOM 819 O GLU B2329 7.663 10.878 -27.666 1.00 0.00 O ATOM 820 CB GLU B2329 9.323 13.113 -25.925 1.00 0.00 C ATOM 821 CG GLU B2329 8.881 13.349 -24.475 1.00 0.00 C ATOM 822 CD GLU B2329 7.346 13.453 -24.359 1.00 0.00 C ATOM 823 OE1 GLU B2329 6.755 14.406 -24.927 1.00 0.00 O ATOM 824 OE2 GLU B2329 6.724 12.596 -23.686 1.00 0.00 O ATOM 0 H GLU B2329 11.519 12.108 -26.094 1.00 0.00 H new ATOM 0 HA GLU B2329 9.034 10.985 -25.559 1.00 0.00 H new ATOM 0 HB2 GLU B2329 10.267 13.631 -26.093 1.00 0.00 H new ATOM 0 HB3 GLU B2329 8.589 13.563 -26.593 1.00 0.00 H new ATOM 0 HG2 GLU B2329 9.239 12.533 -23.847 1.00 0.00 H new ATOM 0 HG3 GLU B2329 9.338 14.265 -24.099 1.00 0.00 H new ATOM 831 N ASP B2330 9.480 11.612 -28.766 1.00 0.00 N ATOM 832 CA ASP B2330 8.949 11.412 -30.119 1.00 0.00 C ATOM 833 C ASP B2330 8.751 9.928 -30.500 1.00 0.00 C ATOM 834 O ASP B2330 7.999 9.626 -31.429 1.00 0.00 O ATOM 835 CB ASP B2330 9.866 12.131 -31.118 1.00 0.00 C ATOM 836 CG ASP B2330 9.198 12.299 -32.494 1.00 0.00 C ATOM 837 OD1 ASP B2330 8.158 12.997 -32.573 1.00 0.00 O ATOM 838 OD2 ASP B2330 9.727 11.767 -33.501 1.00 0.00 O ATOM 0 H ASP B2330 10.434 11.973 -28.758 1.00 0.00 H new ATOM 0 HA ASP B2330 7.947 11.841 -30.149 1.00 0.00 H new ATOM 0 HB2 ASP B2330 10.135 13.111 -30.723 1.00 0.00 H new ATOM 0 HB3 ASP B2330 10.792 11.568 -31.231 1.00 0.00 H new ATOM 843 N CYS B2331 9.377 8.996 -29.767 1.00 0.00 N ATOM 844 CA CYS B2331 9.184 7.551 -29.930 1.00 0.00 C ATOM 845 C CYS B2331 8.135 6.989 -28.950 1.00 0.00 C ATOM 846 O CYS B2331 7.315 6.154 -29.340 1.00 0.00 O ATOM 847 CB CYS B2331 10.544 6.864 -29.746 1.00 0.00 C ATOM 848 SG CYS B2331 10.439 5.089 -30.123 1.00 0.00 S ATOM 0 H CYS B2331 10.043 9.231 -29.031 1.00 0.00 H new ATOM 0 HA CYS B2331 8.795 7.352 -30.929 1.00 0.00 H new ATOM 0 HB2 CYS B2331 11.283 7.334 -30.396 1.00 0.00 H new ATOM 0 HB3 CYS B2331 10.888 7.001 -28.721 1.00 0.00 H new ATOM 0 HG CYS B2331 11.606 4.541 -29.959 1.00 0.00 H new ATOM 854 N ILE B2332 8.109 7.467 -27.697 1.00 0.00 N ATOM 855 CA ILE B2332 7.218 6.956 -26.633 1.00 0.00 C ATOM 856 C ILE B2332 5.804 7.590 -26.620 1.00 0.00 C ATOM 857 O ILE B2332 5.108 7.527 -25.602 1.00 0.00 O ATOM 858 CB ILE B2332 7.904 7.004 -25.244 1.00 0.00 C ATOM 859 CG1 ILE B2332 8.173 8.436 -24.733 1.00 0.00 C ATOM 860 CG2 ILE B2332 9.203 6.174 -25.255 1.00 0.00 C ATOM 861 CD1 ILE B2332 8.304 8.513 -23.207 1.00 0.00 C ATOM 0 H ILE B2332 8.712 8.229 -27.386 1.00 0.00 H new ATOM 0 HA ILE B2332 7.041 5.909 -26.880 1.00 0.00 H new ATOM 0 HB ILE B2332 7.198 6.564 -24.540 1.00 0.00 H new ATOM 0 HG12 ILE B2332 9.088 8.813 -25.190 1.00 0.00 H new ATOM 0 HG13 ILE B2332 7.363 9.089 -25.056 1.00 0.00 H new ATOM 0 HG21 ILE B2332 9.672 6.219 -24.272 1.00 0.00 H new ATOM 0 HG22 ILE B2332 8.970 5.138 -25.499 1.00 0.00 H new ATOM 0 HG23 ILE B2332 9.887 6.578 -26.002 1.00 0.00 H new ATOM 0 HD11 ILE B2332 8.492 9.545 -22.910 1.00 0.00 H new ATOM 0 HD12 ILE B2332 7.380 8.165 -22.745 1.00 0.00 H new ATOM 0 HD13 ILE B2332 9.133 7.884 -22.881 1.00 0.00 H new