USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 141 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 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 4.8e-05 USER MOD Single : A 29 GLN : amide:sc= -2.23 K(o=-2.2,f=-10!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N THR A 18 -11.561 5.322 -2.701 1.00 0.00 N ATOM 228 CA THR A 18 -12.024 5.473 -1.326 1.00 0.00 C ATOM 229 C THR A 18 -12.569 4.154 -0.787 1.00 0.00 C ATOM 230 O THR A 18 -12.535 3.131 -1.471 1.00 0.00 O ATOM 231 CB THR A 18 -13.103 6.554 -1.245 1.00 0.00 C ATOM 232 OG1 THR A 18 -14.174 6.258 -2.122 1.00 0.00 O ATOM 233 CG2 THR A 18 -12.593 7.935 -1.591 1.00 0.00 C ATOM 0 HA THR A 18 -11.173 5.771 -0.714 1.00 0.00 H new ATOM 0 HB THR A 18 -13.433 6.557 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.855 6.960 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.409 8.654 -1.514 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.798 8.213 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.205 7.935 -2.609 1.00 0.00 H new ATOM 241 N GLU A 19 -13.071 4.186 0.443 1.00 0.00 N ATOM 242 CA GLU A 19 -13.624 2.993 1.073 1.00 0.00 C ATOM 243 C GLU A 19 -14.821 2.469 0.284 1.00 0.00 C ATOM 244 O GLU A 19 -14.921 1.273 0.009 1.00 0.00 O ATOM 245 CB GLU A 19 -14.040 3.299 2.513 1.00 0.00 C ATOM 246 CG GLU A 19 -13.655 2.210 3.502 1.00 0.00 C ATOM 247 CD GLU A 19 -14.031 2.558 4.929 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.238 2.546 5.244 1.00 0.00 O ATOM 249 OE2 GLU A 19 -13.117 2.844 5.731 1.00 0.00 O ATOM 0 H GLU A 19 -13.106 5.024 1.023 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.852 2.223 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.582 4.238 2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.120 3.444 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.144 1.278 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.580 2.037 3.445 1.00 0.00 H new ATOM 256 N GLU A 20 -15.726 3.373 -0.075 1.00 0.00 N ATOM 257 CA GLU A 20 -16.917 3.003 -0.832 1.00 0.00 C ATOM 258 C GLU A 20 -16.541 2.475 -2.213 1.00 0.00 C ATOM 259 O GLU A 20 -17.030 1.430 -2.643 1.00 0.00 O ATOM 260 CB GLU A 20 -17.850 4.207 -0.972 1.00 0.00 C ATOM 261 CG GLU A 20 -18.822 4.361 0.187 1.00 0.00 C ATOM 262 CD GLU A 20 -19.747 5.550 0.018 1.00 0.00 C ATOM 263 OE1 GLU A 20 -20.677 5.466 -0.812 1.00 0.00 O ATOM 264 OE2 GLU A 20 -19.542 6.565 0.715 1.00 0.00 O ATOM 0 H GLU A 20 -15.658 4.367 0.146 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.433 2.212 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.250 5.113 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.415 4.112 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.417 3.453 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.261 4.471 1.115 1.00 0.00 H new ATOM 271 N GLU A 21 -15.670 3.204 -2.903 1.00 0.00 N ATOM 272 CA GLU A 21 -15.229 2.809 -4.235 1.00 0.00 C ATOM 273 C GLU A 21 -14.541 1.447 -4.200 1.00 0.00 C ATOM 274 O GLU A 21 -14.598 0.686 -5.166 1.00 0.00 O ATOM 275 CB GLU A 21 -14.282 3.862 -4.815 1.00 0.00 C ATOM 276 CG GLU A 21 -14.913 4.712 -5.905 1.00 0.00 C ATOM 277 CD GLU A 21 -13.893 5.241 -6.895 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.214 6.238 -6.572 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.774 4.658 -7.994 1.00 0.00 O ATOM 0 H GLU A 21 -15.256 4.071 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.108 2.733 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.939 4.513 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.401 3.363 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.657 4.120 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.439 5.550 -5.448 1.00 0.00 H new ATOM 286 N TRP A 22 -13.892 1.146 -3.080 1.00 0.00 N ATOM 287 CA TRP A 22 -13.194 -0.125 -2.920 1.00 0.00 C ATOM 288 C TRP A 22 -14.164 -1.296 -3.044 1.00 0.00 C ATOM 289 O TRP A 22 -13.795 -2.374 -3.510 1.00 0.00 O ATOM 290 CB TRP A 22 -12.486 -0.175 -1.565 1.00 0.00 C ATOM 291 CG TRP A 22 -11.576 -1.354 -1.412 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.770 -2.442 -0.610 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.326 -1.566 -2.079 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.719 -3.317 -0.738 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.819 -2.802 -1.634 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.586 -0.831 -3.010 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.608 -3.316 -2.088 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.384 -1.344 -3.459 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.905 -2.576 -2.999 1.00 0.00 C ATOM 0 H TRP A 22 -13.835 1.764 -2.270 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.451 -0.206 -3.713 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.909 0.740 -1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.235 -0.198 -0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.626 -2.593 0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.624 -4.206 -0.246 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.947 0.120 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.236 -4.266 -1.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.804 -0.784 -4.178 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.962 -2.950 -3.370 1.00 0.00 H new ATOM 310 N ASP A 23 -15.405 -1.076 -2.624 1.00 0.00 N ATOM 311 CA ASP A 23 -16.430 -2.111 -2.689 1.00 0.00 C ATOM 312 C ASP A 23 -16.994 -2.236 -4.101 1.00 0.00 C ATOM 313 O ASP A 23 -17.475 -3.298 -4.496 1.00 0.00 O ATOM 314 CB ASP A 23 -17.559 -1.800 -1.705 1.00 0.00 C ATOM 315 CG ASP A 23 -17.257 -2.291 -0.302 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.644 -3.371 -0.170 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.633 -1.595 0.664 1.00 0.00 O ATOM 0 H ASP A 23 -15.726 -0.189 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.968 -3.060 -2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.730 -0.724 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.481 -2.261 -2.057 1.00 0.00 H new ATOM 322 N LEU A 24 -16.934 -1.144 -4.858 1.00 0.00 N ATOM 323 CA LEU A 24 -17.442 -1.131 -6.225 1.00 0.00 C ATOM 324 C LEU A 24 -16.329 -1.413 -7.232 1.00 0.00 C ATOM 325 O LEU A 24 -16.455 -1.093 -8.414 1.00 0.00 O ATOM 326 CB LEU A 24 -18.094 0.218 -6.535 1.00 0.00 C ATOM 327 CG LEU A 24 -18.922 0.814 -5.395 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.904 2.333 -5.459 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.350 0.293 -5.447 1.00 0.00 C ATOM 0 H LEU A 24 -16.538 -0.257 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.189 -1.920 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.313 0.928 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.736 0.102 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.477 0.506 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.498 2.739 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.877 2.689 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.324 2.662 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.926 0.727 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.804 0.571 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.345 -0.793 -5.351 1.00 0.00 H new ATOM 341 N LEU A 25 -15.239 -2.012 -6.760 1.00 0.00 N ATOM 342 CA LEU A 25 -14.110 -2.333 -7.625 1.00 0.00 C ATOM 343 C LEU A 25 -14.158 -3.795 -8.061 1.00 0.00 C ATOM 344 O LEU A 25 -15.093 -4.522 -7.729 1.00 0.00 O ATOM 345 CB LEU A 25 -12.791 -2.046 -6.905 1.00 0.00 C ATOM 346 CG LEU A 25 -12.277 -0.612 -7.045 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.938 -0.454 -6.342 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.159 -0.231 -8.513 1.00 0.00 C ATOM 0 H LEU A 25 -15.115 -2.284 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.174 -1.705 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.917 -2.269 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -12.031 -2.727 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.993 0.059 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.588 0.572 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.053 -0.686 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.211 -1.135 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.792 0.792 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.463 -0.907 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.137 -0.305 -8.988 1.00 0.00 H new ATOM 360 N ASP A 26 -13.141 -4.218 -8.808 1.00 0.00 N ATOM 361 CA ASP A 26 -13.067 -5.593 -9.290 1.00 0.00 C ATOM 362 C ASP A 26 -11.790 -6.272 -8.807 1.00 0.00 C ATOM 363 O ASP A 26 -11.003 -5.683 -8.066 1.00 0.00 O ATOM 364 CB ASP A 26 -13.128 -5.623 -10.819 1.00 0.00 C ATOM 365 CG ASP A 26 -14.548 -5.541 -11.343 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.336 -4.738 -10.801 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.872 -6.280 -12.297 1.00 0.00 O ATOM 0 H ASP A 26 -12.358 -3.629 -9.092 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.921 -6.139 -8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.547 -4.792 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.663 -6.540 -11.180 1.00 0.00 H new ATOM 372 N SER A 27 -11.590 -7.515 -9.233 1.00 0.00 N ATOM 373 CA SER A 27 -10.408 -8.277 -8.845 1.00 0.00 C ATOM 374 C SER A 27 -9.145 -7.708 -9.491 1.00 0.00 C ATOM 375 O SER A 27 -8.032 -7.990 -9.046 1.00 0.00 O ATOM 376 CB SER A 27 -10.574 -9.746 -9.235 1.00 0.00 C ATOM 377 OG SER A 27 -11.826 -10.251 -8.802 1.00 0.00 O ATOM 0 H SER A 27 -12.231 -8.016 -9.847 1.00 0.00 H new ATOM 0 HA SER A 27 -10.302 -8.201 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.491 -9.850 -10.317 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.769 -10.335 -8.796 1.00 0.00 H new ATOM 0 HG SER A 27 -11.908 -11.191 -9.065 1.00 0.00 H new ATOM 383 N SER A 28 -9.320 -6.909 -10.540 1.00 0.00 N ATOM 384 CA SER A 28 -8.189 -6.308 -11.238 1.00 0.00 C ATOM 385 C SER A 28 -7.716 -5.048 -10.522 1.00 0.00 C ATOM 386 O SER A 28 -6.522 -4.749 -10.491 1.00 0.00 O ATOM 387 CB SER A 28 -8.570 -5.977 -12.682 1.00 0.00 C ATOM 388 OG SER A 28 -9.679 -6.752 -13.108 1.00 0.00 O ATOM 0 H SER A 28 -10.232 -6.663 -10.924 1.00 0.00 H new ATOM 0 HA SER A 28 -7.372 -7.030 -11.243 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.810 -4.917 -12.764 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.719 -6.163 -13.338 1.00 0.00 H new ATOM 0 HG SER A 28 -9.904 -6.520 -14.033 1.00 0.00 H new ATOM 394 N GLN A 29 -8.661 -4.312 -9.948 1.00 0.00 N ATOM 395 CA GLN A 29 -8.342 -3.083 -9.231 1.00 0.00 C ATOM 396 C GLN A 29 -7.911 -3.382 -7.799 1.00 0.00 C ATOM 397 O GLN A 29 -6.960 -2.788 -7.290 1.00 0.00 O ATOM 398 CB GLN A 29 -9.551 -2.147 -9.228 1.00 0.00 C ATOM 399 CG GLN A 29 -9.994 -1.725 -10.620 1.00 0.00 C ATOM 400 CD GLN A 29 -11.090 -2.613 -11.176 1.00 0.00 C ATOM 401 OE1 GLN A 29 -12.200 -2.655 -10.647 1.00 0.00 O ATOM 402 NE2 GLN A 29 -10.783 -3.327 -12.253 1.00 0.00 N ATOM 0 H GLN A 29 -9.654 -4.545 -9.965 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.512 -2.596 -9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.382 -2.641 -8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.310 -1.257 -8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.347 -0.694 -10.588 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.137 -1.747 -11.293 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.850 -3.262 -12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.481 -3.941 -12.674 1.00 0.00 H new ATOM 411 N LYS A 30 -8.615 -4.307 -7.156 1.00 0.00 N ATOM 412 CA LYS A 30 -8.304 -4.687 -5.782 1.00 0.00 C ATOM 413 C LYS A 30 -6.879 -5.218 -5.671 1.00 0.00 C ATOM 414 O LYS A 30 -6.232 -5.076 -4.633 1.00 0.00 O ATOM 415 CB LYS A 30 -9.298 -5.741 -5.287 1.00 0.00 C ATOM 416 CG LYS A 30 -10.083 -5.308 -4.061 1.00 0.00 C ATOM 417 CD LYS A 30 -11.304 -6.185 -3.843 1.00 0.00 C ATOM 418 CE LYS A 30 -12.449 -5.403 -3.221 1.00 0.00 C ATOM 419 NZ LYS A 30 -13.431 -6.295 -2.548 1.00 0.00 N ATOM 0 H LYS A 30 -9.405 -4.808 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.387 -3.798 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.996 -5.976 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.757 -6.659 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.440 -5.352 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.395 -4.270 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.625 -6.606 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.041 -7.022 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.051 -4.691 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.955 -4.824 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.196 -5.722 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.830 -6.958 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.955 -6.829 -1.793 1.00 0.00 H new ATOM 433 N ARG A 31 -6.395 -5.833 -6.745 1.00 0.00 N ATOM 434 CA ARG A 31 -5.047 -6.387 -6.767 1.00 0.00 C ATOM 435 C ARG A 31 -4.027 -5.327 -7.171 1.00 0.00 C ATOM 436 O ARG A 31 -2.877 -5.359 -6.735 1.00 0.00 O ATOM 437 CB ARG A 31 -4.975 -7.571 -7.732 1.00 0.00 C ATOM 438 CG ARG A 31 -3.876 -8.567 -7.393 1.00 0.00 C ATOM 439 CD ARG A 31 -3.132 -9.022 -8.638 1.00 0.00 C ATOM 440 NE ARG A 31 -2.689 -10.411 -8.535 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.483 -11.460 -8.736 1.00 0.00 C ATOM 442 NH1 ARG A 31 -4.761 -11.282 -9.051 1.00 0.00 N ATOM 443 NH2 ARG A 31 -3.001 -12.689 -8.623 1.00 0.00 N ATOM 0 H ARG A 31 -6.917 -5.960 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.808 -6.731 -5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.935 -8.088 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.815 -7.196 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.174 -8.112 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.310 -9.432 -6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.780 -8.912 -9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.268 -8.377 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.713 -10.587 -8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.138 -10.338 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.366 -12.089 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.020 -12.832 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.611 -13.492 -8.777 1.00 0.00 H new ATOM 457 N LEU A 32 -4.458 -4.387 -8.007 1.00 0.00 N ATOM 458 CA LEU A 32 -3.583 -3.318 -8.470 1.00 0.00 C ATOM 459 C LEU A 32 -3.234 -2.369 -7.331 1.00 0.00 C ATOM 460 O LEU A 32 -2.086 -1.945 -7.190 1.00 0.00 O ATOM 461 CB LEU A 32 -4.253 -2.545 -9.606 1.00 0.00 C ATOM 462 CG LEU A 32 -4.137 -3.195 -10.985 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.179 -2.626 -11.934 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.737 -3.001 -11.548 1.00 0.00 C ATOM 0 H LEU A 32 -5.408 -4.345 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.661 -3.768 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.309 -2.420 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.817 -1.547 -9.653 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.320 -4.264 -10.878 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.080 -3.101 -12.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.176 -2.817 -11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.029 -1.551 -12.037 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.672 -3.470 -12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.526 -1.936 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.009 -3.459 -10.878 1.00 0.00 H new ATOM 476 N TYR A 33 -4.231 -2.040 -6.521 1.00 0.00 N ATOM 477 CA TYR A 33 -4.034 -1.142 -5.389 1.00 0.00 C ATOM 478 C TYR A 33 -3.166 -1.797 -4.319 1.00 0.00 C ATOM 479 O TYR A 33 -2.510 -1.113 -3.534 1.00 0.00 O ATOM 480 CB TYR A 33 -5.383 -0.735 -4.792 1.00 0.00 C ATOM 481 CG TYR A 33 -5.290 0.408 -3.806 1.00 0.00 C ATOM 482 CD1 TYR A 33 -5.061 0.168 -2.456 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.430 1.725 -4.225 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.976 1.210 -1.553 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.346 2.771 -3.327 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.118 2.509 -1.992 1.00 0.00 C ATOM 487 OH TYR A 33 -5.034 3.548 -1.095 1.00 0.00 O ATOM 0 H TYR A 33 -5.186 -2.382 -6.626 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.522 -0.250 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.058 -0.452 -5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.825 -1.598 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.948 -0.848 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.607 1.934 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.799 1.008 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.458 3.789 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.155 4.398 -1.567 1.00 0.00 H new ATOM 497 N GLU A 34 -3.168 -3.126 -4.293 1.00 0.00 N ATOM 498 CA GLU A 34 -2.380 -3.871 -3.318 1.00 0.00 C ATOM 499 C GLU A 34 -0.941 -4.039 -3.795 1.00 0.00 C ATOM 500 O GLU A 34 -0.013 -4.101 -2.989 1.00 0.00 O ATOM 501 CB GLU A 34 -3.011 -5.243 -3.065 1.00 0.00 C ATOM 502 CG GLU A 34 -3.850 -5.300 -1.799 1.00 0.00 C ATOM 503 CD GLU A 34 -3.665 -6.597 -1.035 1.00 0.00 C ATOM 504 OE1 GLU A 34 -3.931 -7.671 -1.614 1.00 0.00 O ATOM 505 OE2 GLU A 34 -3.252 -6.537 0.142 1.00 0.00 O ATOM 0 H GLU A 34 -3.706 -3.708 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.370 -3.305 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.636 -5.510 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.221 -5.991 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.586 -4.462 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.902 -5.183 -2.059 1.00 0.00 H new ATOM 512 N GLU A 35 -0.763 -4.111 -5.110 1.00 0.00 N ATOM 513 CA GLU A 35 0.564 -4.271 -5.694 1.00 0.00 C ATOM 514 C GLU A 35 1.472 -3.107 -5.311 1.00 0.00 C ATOM 515 O GLU A 35 2.660 -3.294 -5.049 1.00 0.00 O ATOM 516 CB GLU A 35 0.465 -4.375 -7.217 1.00 0.00 C ATOM 517 CG GLU A 35 0.164 -5.780 -7.713 1.00 0.00 C ATOM 518 CD GLU A 35 0.483 -5.960 -9.185 1.00 0.00 C ATOM 519 OE1 GLU A 35 -0.230 -5.368 -10.022 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.445 -6.691 -9.498 1.00 0.00 O ATOM 0 H GLU A 35 -1.521 -4.061 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 35 0.997 -5.191 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.315 -3.700 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.403 -4.036 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.740 -6.498 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.889 -6.003 -7.543 1.00 0.00 H new