USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 333 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 Set 1.1: A 338 CYS SG : rot -129:sc= -0.337 USER MOD Set 1.2: A 341 CYS SG : rot 149:sc= 0.253 USER MOD Set 1.3: A 365 CYS SG : rot -36:sc= -0.276 USER MOD Set 1.4: A 368 CYS SG : rot 142:sc= -0.283 USER MOD Set 2.1: A 323 CYS SG : rot -156:sc= 0.194 USER MOD Set 2.2: A 326 CYS SG : rot -66:sc= 0.33 USER MOD Set 2.3: A 346 HIS : no HD1:sc= 0.905 K(o=-0.58,f=-6.6!) USER MOD Set 2.4: A 348 TYR OH : rot 180:sc= 0 USER MOD Set 2.5: A 349 CYS SG : rot -150:sc= -2.01! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ -176:sc= 0.357 (180deg=0.322) USER MOD Single : A 335 GLN :FLIP amide:sc= -1.08 F(o=-5.8!,f=-1.1) USER MOD Single : A 343 MET CE :methyl -157:sc= -0.431 (180deg=-1.44!) USER MOD Single : A 351 LYS NZ :NH3+ -150:sc= -0.995 (180deg=-2.52!) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot 26:sc= 0.22 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.502 19.957 8.394 1.00 0.00 N ATOM 286 CA ALA A 322 5.213 20.596 8.111 1.00 0.00 C ATOM 287 C ALA A 322 5.042 21.866 8.951 1.00 0.00 C ATOM 288 O ALA A 322 5.892 22.203 9.782 1.00 0.00 O ATOM 289 CB ALA A 322 4.070 19.602 8.392 1.00 0.00 C ATOM 0 HA ALA A 322 5.184 20.883 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.113 20.079 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.186 18.725 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 322 4.101 19.298 9.438 1.00 0.00 H new ATOM 295 N CYS A 323 3.906 22.531 8.754 1.00 0.00 N ATOM 296 CA CYS A 323 3.558 23.796 9.413 1.00 0.00 C ATOM 297 C CYS A 323 2.222 23.633 10.129 1.00 0.00 C ATOM 298 O CYS A 323 1.174 23.583 9.480 1.00 0.00 O ATOM 299 CB CYS A 323 3.526 24.899 8.342 1.00 0.00 C ATOM 300 SG CYS A 323 2.526 26.367 8.700 1.00 0.00 S ATOM 0 H CYS A 323 3.181 22.200 8.117 1.00 0.00 H new ATOM 0 HA CYS A 323 4.294 24.076 10.166 1.00 0.00 H new ATOM 0 HB2 CYS A 323 4.550 25.224 8.160 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.161 24.459 7.414 1.00 0.00 H new ATOM 0 HG CYS A 323 2.176 26.936 7.585 1.00 0.00 H new ATOM 305 N HIS A 324 2.277 23.585 11.474 1.00 0.00 N ATOM 306 CA HIS A 324 1.144 23.192 12.341 1.00 0.00 C ATOM 307 C HIS A 324 -0.045 24.162 12.224 1.00 0.00 C ATOM 308 O HIS A 324 -1.198 23.757 12.402 1.00 0.00 O ATOM 309 CB HIS A 324 1.643 23.095 13.806 1.00 0.00 C ATOM 310 CG HIS A 324 0.592 22.712 14.830 1.00 0.00 C ATOM 311 ND1 HIS A 324 0.057 21.445 14.945 1.00 0.00 N ATOM 312 CD2 HIS A 324 -0.037 23.465 15.771 1.00 0.00 C ATOM 313 CE1 HIS A 324 -0.851 21.469 15.926 1.00 0.00 C ATOM 314 NE2 HIS A 324 -0.950 22.672 16.455 1.00 0.00 N ATOM 0 H HIS A 324 3.120 23.821 11.998 1.00 0.00 H new ATOM 0 HA HIS A 324 0.777 22.220 12.011 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.450 22.364 13.849 1.00 0.00 H new ATOM 0 HB3 HIS A 324 2.069 24.057 14.091 1.00 0.00 H new ATOM 0 HD2 HIS A 324 0.144 24.513 15.957 1.00 0.00 H new ATOM 0 HE1 HIS A 324 -1.428 20.613 16.244 1.00 0.00 H new ATOM 0 HE2 HIS A 324 -1.570 22.962 17.212 1.00 0.00 H new ATOM 322 N VAL A 325 0.264 25.429 11.886 1.00 0.00 N ATOM 323 CA VAL A 325 -0.721 26.521 11.769 1.00 0.00 C ATOM 324 C VAL A 325 -1.859 26.174 10.772 1.00 0.00 C ATOM 325 O VAL A 325 -3.013 26.557 10.977 1.00 0.00 O ATOM 326 CB VAL A 325 0.002 27.848 11.333 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.969 29.040 11.195 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.140 28.204 12.314 1.00 0.00 C ATOM 0 H VAL A 325 1.218 25.726 11.684 1.00 0.00 H new ATOM 0 HA VAL A 325 -1.180 26.661 12.748 1.00 0.00 H new ATOM 0 HB VAL A 325 0.424 27.657 10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.414 29.928 10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.724 28.809 10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.456 29.225 12.152 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.624 29.125 11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 325 0.729 28.342 13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 325 1.872 27.396 12.331 1.00 0.00 H new ATOM 338 N CYS A 326 -1.519 25.421 9.710 1.00 0.00 N ATOM 339 CA CYS A 326 -2.491 25.021 8.664 1.00 0.00 C ATOM 340 C CYS A 326 -2.517 23.492 8.463 1.00 0.00 C ATOM 341 O CYS A 326 -3.491 22.950 7.928 1.00 0.00 O ATOM 342 CB CYS A 326 -2.134 25.727 7.345 1.00 0.00 C ATOM 343 SG CYS A 326 -0.499 25.292 6.695 1.00 0.00 S ATOM 0 H CYS A 326 -0.574 25.073 9.549 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.488 25.322 8.987 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.888 25.481 6.597 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -2.177 26.805 7.499 1.00 0.00 H new ATOM 0 HG CYS A 326 0.420 25.735 7.501 1.00 0.00 H new ATOM 348 N GLY A 327 -1.450 22.819 8.924 1.00 0.00 N ATOM 349 CA GLY A 327 -1.267 21.384 8.714 1.00 0.00 C ATOM 350 C GLY A 327 -0.896 21.023 7.274 1.00 0.00 C ATOM 351 O GLY A 327 -1.641 20.294 6.598 1.00 0.00 O ATOM 0 H GLY A 327 -0.695 23.258 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.487 21.023 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -2.186 20.864 8.986 1.00 0.00 H new ATOM 355 N GLY A 328 0.271 21.512 6.810 1.00 0.00 N ATOM 356 CA GLY A 328 0.751 21.230 5.447 1.00 0.00 C ATOM 357 C GLY A 328 2.265 21.363 5.315 1.00 0.00 C ATOM 358 O GLY A 328 2.881 22.178 6.003 1.00 0.00 O ATOM 0 H GLY A 328 0.896 22.102 7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.453 20.221 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.268 21.913 4.748 1.00 0.00 H new ATOM 362 N ARG A 329 2.848 20.557 4.399 1.00 0.00 N ATOM 363 CA ARG A 329 4.312 20.526 4.114 1.00 0.00 C ATOM 364 C ARG A 329 4.618 21.346 2.839 1.00 0.00 C ATOM 365 O ARG A 329 5.726 21.281 2.291 1.00 0.00 O ATOM 366 CB ARG A 329 4.823 19.057 3.893 1.00 0.00 C ATOM 367 CG ARG A 329 4.624 18.050 5.063 1.00 0.00 C ATOM 368 CD ARG A 329 3.157 17.620 5.286 1.00 0.00 C ATOM 369 NE ARG A 329 2.548 17.076 4.058 1.00 0.00 N ATOM 370 CZ ARG A 329 1.271 16.693 3.924 1.00 0.00 C ATOM 371 NH1 ARG A 329 0.439 16.730 4.945 1.00 0.00 N ATOM 372 NH2 ARG A 329 0.830 16.267 2.751 1.00 0.00 N ATOM 0 H ARG A 329 2.315 19.901 3.828 1.00 0.00 H new ATOM 0 HA ARG A 329 4.823 20.954 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.323 18.654 3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.887 19.101 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.226 17.162 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 329 5.003 18.498 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 329 3.115 16.869 6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 329 2.577 18.476 5.630 1.00 0.00 H new ATOM 0 HE ARG A 329 3.151 16.983 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 329 0.764 17.054 5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 329 -0.530 16.435 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 329 1.462 16.231 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 329 -0.142 15.975 2.647 1.00 0.00 H new ATOM 386 N GLU A 330 3.623 22.130 2.404 1.00 0.00 N ATOM 387 CA GLU A 330 3.581 22.727 1.056 1.00 0.00 C ATOM 388 C GLU A 330 4.649 23.820 0.890 1.00 0.00 C ATOM 389 O GLU A 330 4.928 24.540 1.836 1.00 0.00 O ATOM 390 CB GLU A 330 2.165 23.310 0.786 1.00 0.00 C ATOM 391 CG GLU A 330 0.996 22.405 1.229 1.00 0.00 C ATOM 392 CD GLU A 330 0.983 21.020 0.563 1.00 0.00 C ATOM 393 OE1 GLU A 330 0.498 20.911 -0.586 1.00 0.00 O ATOM 394 OE2 GLU A 330 1.438 20.030 1.181 1.00 0.00 O ATOM 0 H GLU A 330 2.816 22.372 2.980 1.00 0.00 H new ATOM 0 HA GLU A 330 3.796 21.944 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 330 2.078 24.268 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 330 2.067 23.509 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.042 22.275 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 330 0.056 22.911 1.008 1.00 0.00 H new ATOM 401 N ALA A 331 5.232 23.915 -0.315 1.00 0.00 N ATOM 402 CA ALA A 331 6.256 24.934 -0.664 1.00 0.00 C ATOM 403 C ALA A 331 7.397 25.024 0.402 1.00 0.00 C ATOM 404 O ALA A 331 7.386 25.937 1.240 1.00 0.00 O ATOM 405 CB ALA A 331 5.585 26.304 -0.922 1.00 0.00 C ATOM 0 H ALA A 331 5.010 23.286 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 331 6.740 24.617 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.347 27.040 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 331 4.878 26.213 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.056 26.625 -0.025 1.00 0.00 H new ATOM 411 N PRO A 332 8.369 24.045 0.401 1.00 0.00 N ATOM 412 CA PRO A 332 9.526 24.024 1.348 1.00 0.00 C ATOM 413 C PRO A 332 10.384 25.305 1.267 1.00 0.00 C ATOM 414 O PRO A 332 11.027 25.707 2.244 1.00 0.00 O ATOM 415 CB PRO A 332 10.337 22.775 0.922 1.00 0.00 C ATOM 416 CG PRO A 332 9.365 21.918 0.171 1.00 0.00 C ATOM 417 CD PRO A 332 8.393 22.862 -0.498 1.00 0.00 C ATOM 0 HA PRO A 332 9.196 23.984 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 332 11.186 23.050 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 332 10.738 22.250 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.879 21.303 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 332 8.844 21.238 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 332 8.723 23.130 -1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.404 22.414 -0.596 1.00 0.00 H new ATOM 425 N GLU A 333 10.386 25.896 0.071 1.00 0.00 N ATOM 426 CA GLU A 333 10.967 27.231 -0.207 1.00 0.00 C ATOM 427 C GLU A 333 10.460 28.326 0.776 1.00 0.00 C ATOM 428 O GLU A 333 11.226 29.219 1.166 1.00 0.00 O ATOM 429 CB GLU A 333 10.646 27.645 -1.670 1.00 0.00 C ATOM 430 CG GLU A 333 9.147 27.562 -2.035 1.00 0.00 C ATOM 431 CD GLU A 333 8.825 28.023 -3.464 1.00 0.00 C ATOM 432 OE1 GLU A 333 9.228 27.334 -4.423 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.150 29.058 -3.634 1.00 0.00 O ATOM 0 H GLU A 333 9.978 25.459 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 333 12.045 27.150 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.992 28.666 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.210 27.006 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.810 26.533 -1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.578 28.170 -1.331 1.00 0.00 H new ATOM 440 N LYS A 334 9.168 28.256 1.148 1.00 0.00 N ATOM 441 CA LYS A 334 8.525 29.199 2.088 1.00 0.00 C ATOM 442 C LYS A 334 8.309 28.555 3.472 1.00 0.00 C ATOM 443 O LYS A 334 7.695 29.165 4.350 1.00 0.00 O ATOM 444 CB LYS A 334 7.182 29.713 1.481 1.00 0.00 C ATOM 445 CG LYS A 334 7.364 30.728 0.324 1.00 0.00 C ATOM 446 CD LYS A 334 6.019 31.290 -0.190 1.00 0.00 C ATOM 447 CE LYS A 334 5.229 30.275 -1.036 1.00 0.00 C ATOM 448 NZ LYS A 334 5.857 30.046 -2.362 1.00 0.00 N ATOM 0 H LYS A 334 8.533 27.537 0.802 1.00 0.00 H new ATOM 0 HA LYS A 334 9.189 30.051 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.609 28.860 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.592 30.179 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.992 31.552 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 334 7.890 30.245 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.411 31.598 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 334 6.208 32.183 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.163 29.329 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.210 30.635 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 5.258 29.409 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 5.959 30.954 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.794 29.615 -2.232 1.00 0.00 H new ATOM 462 N GLN A 335 8.819 27.323 3.661 1.00 0.00 N ATOM 463 CA GLN A 335 8.803 26.632 4.965 1.00 0.00 C ATOM 464 C GLN A 335 10.098 26.913 5.746 1.00 0.00 C ATOM 465 O GLN A 335 11.084 26.179 5.617 1.00 0.00 O ATOM 466 CB GLN A 335 8.584 25.096 4.780 1.00 0.00 C ATOM 467 CG GLN A 335 7.116 24.673 4.506 1.00 0.00 C ATOM 468 CD GLN A 335 6.265 24.480 5.775 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.484 25.292 6.806 1.00 0.00 O flip ATOM 470 NE2 GLN A 335 5.366 23.649 5.805 1.00 0.00 N flip ATOM 0 H GLN A 335 9.253 26.779 2.915 1.00 0.00 H new ATOM 0 HA GLN A 335 7.967 27.022 5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.206 24.752 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.933 24.584 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.644 25.428 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.118 23.742 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 335 5.212 23.035 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 335 4.771 23.571 6.630 1.00 0.00 H new ATOM 479 N LEU A 336 10.100 28.005 6.529 1.00 0.00 N ATOM 480 CA LEU A 336 11.229 28.354 7.414 1.00 0.00 C ATOM 481 C LEU A 336 10.925 27.871 8.837 1.00 0.00 C ATOM 482 O LEU A 336 9.822 28.092 9.342 1.00 0.00 O ATOM 483 CB LEU A 336 11.506 29.885 7.411 1.00 0.00 C ATOM 484 CG LEU A 336 11.999 30.512 6.061 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.852 30.668 5.036 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.706 31.859 6.306 1.00 0.00 C ATOM 0 H LEU A 336 9.326 28.668 6.568 1.00 0.00 H new ATOM 0 HA LEU A 336 12.126 27.860 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 336 10.591 30.396 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 336 12.253 30.097 8.176 1.00 0.00 H new ATOM 0 HG LEU A 336 12.720 29.818 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.242 31.106 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 336 10.423 29.690 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 336 10.081 31.318 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 336 13.039 32.274 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.013 32.553 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 336 13.568 31.705 6.956 1.00 0.00 H new ATOM 498 N LEU A 337 11.898 27.202 9.469 1.00 0.00 N ATOM 499 CA LEU A 337 11.742 26.652 10.823 1.00 0.00 C ATOM 500 C LEU A 337 12.158 27.695 11.874 1.00 0.00 C ATOM 501 O LEU A 337 13.266 28.239 11.806 1.00 0.00 O ATOM 502 CB LEU A 337 12.580 25.347 11.008 1.00 0.00 C ATOM 503 CG LEU A 337 12.142 24.089 10.177 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.424 24.248 8.659 1.00 0.00 C ATOM 505 CD2 LEU A 337 12.793 22.801 10.735 1.00 0.00 C ATOM 0 H LEU A 337 12.815 27.027 9.057 1.00 0.00 H new ATOM 0 HA LEU A 337 10.690 26.402 10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.617 25.573 10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 337 12.558 25.078 12.064 1.00 0.00 H new ATOM 0 HG LEU A 337 11.061 24.002 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 337 12.102 23.349 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 337 11.877 25.109 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.492 24.397 8.501 1.00 0.00 H new ATOM 0 HD21 LEU A 337 12.473 21.945 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 337 13.878 22.891 10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 337 12.487 22.658 11.771 1.00 0.00 H new ATOM 517 N CYS A 338 11.245 27.999 12.817 1.00 0.00 N ATOM 518 CA CYS A 338 11.578 28.799 14.006 1.00 0.00 C ATOM 519 C CYS A 338 12.513 27.995 14.903 1.00 0.00 C ATOM 520 O CYS A 338 12.081 27.008 15.492 1.00 0.00 O ATOM 521 CB CYS A 338 10.312 29.185 14.799 1.00 0.00 C ATOM 522 SG CYS A 338 10.660 30.273 16.223 1.00 0.00 S ATOM 0 H CYS A 338 10.270 27.701 12.776 1.00 0.00 H new ATOM 0 HA CYS A 338 12.063 29.718 13.677 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.611 29.685 14.131 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.823 28.278 15.154 1.00 0.00 H new ATOM 0 HG CYS A 338 10.107 29.780 17.291 1.00 0.00 H new ATOM 527 N ASP A 339 13.786 28.421 14.975 1.00 0.00 N ATOM 528 CA ASP A 339 14.846 27.755 15.778 1.00 0.00 C ATOM 529 C ASP A 339 14.386 27.388 17.215 1.00 0.00 C ATOM 530 O ASP A 339 14.551 26.243 17.655 1.00 0.00 O ATOM 531 CB ASP A 339 16.084 28.687 15.818 1.00 0.00 C ATOM 532 CG ASP A 339 17.150 28.288 16.856 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.191 28.902 17.942 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.944 27.365 16.591 1.00 0.00 O ATOM 0 H ASP A 339 14.119 29.245 14.475 1.00 0.00 H new ATOM 0 HA ASP A 339 15.091 26.807 15.298 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.544 28.701 14.830 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.751 29.703 16.030 1.00 0.00 H new ATOM 539 N GLU A 340 13.779 28.374 17.900 1.00 0.00 N ATOM 540 CA GLU A 340 13.271 28.241 19.285 1.00 0.00 C ATOM 541 C GLU A 340 12.223 27.115 19.421 1.00 0.00 C ATOM 542 O GLU A 340 12.191 26.403 20.425 1.00 0.00 O ATOM 543 CB GLU A 340 12.635 29.591 19.715 1.00 0.00 C ATOM 544 CG GLU A 340 12.028 29.630 21.134 1.00 0.00 C ATOM 545 CD GLU A 340 13.069 29.519 22.262 1.00 0.00 C ATOM 546 OE1 GLU A 340 13.339 28.394 22.735 1.00 0.00 O ATOM 547 OE2 GLU A 340 13.611 30.566 22.687 1.00 0.00 O ATOM 0 H GLU A 340 13.623 29.301 17.504 1.00 0.00 H new ATOM 0 HA GLU A 340 14.112 27.982 19.928 1.00 0.00 H new ATOM 0 HB2 GLU A 340 13.397 30.368 19.645 1.00 0.00 H new ATOM 0 HB3 GLU A 340 11.853 29.846 18.999 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.473 30.560 21.256 1.00 0.00 H new ATOM 0 HG3 GLU A 340 11.310 28.816 21.234 1.00 0.00 H new ATOM 554 N CYS A 341 11.369 26.971 18.403 1.00 0.00 N ATOM 555 CA CYS A 341 10.180 26.086 18.464 1.00 0.00 C ATOM 556 C CYS A 341 10.368 24.799 17.633 1.00 0.00 C ATOM 557 O CYS A 341 9.540 23.887 17.706 1.00 0.00 O ATOM 558 CB CYS A 341 8.945 26.889 17.981 1.00 0.00 C ATOM 559 SG CYS A 341 8.630 28.400 18.956 1.00 0.00 S ATOM 0 H CYS A 341 11.473 27.458 17.513 1.00 0.00 H new ATOM 0 HA CYS A 341 10.034 25.761 19.494 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.087 27.164 16.936 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.065 26.248 18.025 1.00 0.00 H new ATOM 0 HG CYS A 341 8.085 29.302 18.195 1.00 0.00 H new ATOM 564 N ASP A 342 11.461 24.757 16.832 1.00 0.00 N ATOM 565 CA ASP A 342 11.777 23.658 15.872 1.00 0.00 C ATOM 566 C ASP A 342 10.632 23.388 14.860 1.00 0.00 C ATOM 567 O ASP A 342 10.614 22.346 14.194 1.00 0.00 O ATOM 568 CB ASP A 342 12.160 22.351 16.629 1.00 0.00 C ATOM 569 CG ASP A 342 13.453 22.492 17.448 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.404 23.058 18.560 1.00 0.00 O ATOM 571 OD2 ASP A 342 14.522 22.025 16.994 1.00 0.00 O ATOM 0 H ASP A 342 12.163 25.497 16.831 1.00 0.00 H new ATOM 0 HA ASP A 342 12.635 23.995 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.343 22.070 17.294 1.00 0.00 H new ATOM 0 HB3 ASP A 342 12.278 21.541 15.909 1.00 0.00 H new ATOM 576 N MET A 343 9.707 24.354 14.727 1.00 0.00 N ATOM 577 CA MET A 343 8.488 24.198 13.916 1.00 0.00 C ATOM 578 C MET A 343 8.636 24.998 12.627 1.00 0.00 C ATOM 579 O MET A 343 9.001 26.178 12.680 1.00 0.00 O ATOM 580 CB MET A 343 7.243 24.691 14.714 1.00 0.00 C ATOM 581 CG MET A 343 5.863 24.504 14.028 1.00 0.00 C ATOM 582 SD MET A 343 5.039 22.938 14.445 1.00 0.00 S ATOM 583 CE MET A 343 6.118 21.691 13.733 1.00 0.00 C ATOM 0 H MET A 343 9.784 25.265 15.179 1.00 0.00 H new ATOM 0 HA MET A 343 8.347 23.144 13.675 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.222 24.169 15.671 1.00 0.00 H new ATOM 0 HB3 MET A 343 7.375 25.751 14.932 1.00 0.00 H new ATOM 0 HG2 MET A 343 5.213 25.332 14.311 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.995 24.557 12.947 1.00 0.00 H new ATOM 0 HE1 MET A 343 5.551 20.776 13.559 1.00 0.00 H new ATOM 0 HE2 MET A 343 6.520 22.055 12.787 1.00 0.00 H new ATOM 0 HE3 MET A 343 6.938 21.484 14.420 1.00 0.00 H new ATOM 593 N ALA A 344 8.369 24.358 11.481 1.00 0.00 N ATOM 594 CA ALA A 344 8.338 25.039 10.183 1.00 0.00 C ATOM 595 C ALA A 344 7.050 25.868 10.056 1.00 0.00 C ATOM 596 O ALA A 344 5.991 25.472 10.552 1.00 0.00 O ATOM 597 CB ALA A 344 8.467 24.019 9.040 1.00 0.00 C ATOM 0 H ALA A 344 8.170 23.359 11.429 1.00 0.00 H new ATOM 0 HA ALA A 344 9.186 25.720 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.442 24.540 8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 344 9.411 23.482 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.640 23.311 9.089 1.00 0.00 H new ATOM 603 N PHE A 345 7.154 27.036 9.417 1.00 0.00 N ATOM 604 CA PHE A 345 6.013 27.931 9.164 1.00 0.00 C ATOM 605 C PHE A 345 6.086 28.431 7.730 1.00 0.00 C ATOM 606 O PHE A 345 7.174 28.541 7.159 1.00 0.00 O ATOM 607 CB PHE A 345 5.993 29.158 10.117 1.00 0.00 C ATOM 608 CG PHE A 345 5.891 28.827 11.595 1.00 0.00 C ATOM 609 CD1 PHE A 345 7.027 28.707 12.389 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.652 28.632 12.193 1.00 0.00 C ATOM 611 CE1 PHE A 345 6.924 28.403 13.729 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.552 28.330 13.531 1.00 0.00 C ATOM 613 CZ PHE A 345 5.687 28.215 14.298 1.00 0.00 C ATOM 0 H PHE A 345 8.038 27.394 9.056 1.00 0.00 H new ATOM 0 HA PHE A 345 5.103 27.358 9.341 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.900 29.740 9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.152 29.795 9.845 1.00 0.00 H new ATOM 0 HD1 PHE A 345 8.002 28.854 11.949 1.00 0.00 H new ATOM 0 HD2 PHE A 345 3.755 28.719 11.598 1.00 0.00 H new ATOM 0 HE1 PHE A 345 7.815 28.312 14.332 1.00 0.00 H new ATOM 0 HE2 PHE A 345 3.581 28.183 13.980 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.607 27.977 15.348 1.00 0.00 H new ATOM 623 N HIS A 346 4.914 28.708 7.162 1.00 0.00 N ATOM 624 CA HIS A 346 4.789 29.406 5.876 1.00 0.00 C ATOM 625 C HIS A 346 4.820 30.918 6.129 1.00 0.00 C ATOM 626 O HIS A 346 4.349 31.371 7.181 1.00 0.00 O ATOM 627 CB HIS A 346 3.473 28.999 5.164 1.00 0.00 C ATOM 628 CG HIS A 346 3.417 27.539 4.780 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.414 26.685 5.202 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.265 26.847 3.987 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.695 25.520 4.666 1.00 0.00 C ATOM 632 NE2 HIS A 346 3.798 25.570 3.931 1.00 0.00 N ATOM 0 H HIS A 346 4.018 28.455 7.579 1.00 0.00 H new ATOM 0 HA HIS A 346 5.619 29.129 5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.631 29.226 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.353 29.606 4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.144 27.233 3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.100 24.629 4.806 1.00 0.00 H new ATOM 0 HE2 HIS A 346 4.218 24.795 3.419 1.00 0.00 H new ATOM 640 N LEU A 347 5.366 31.686 5.168 1.00 0.00 N ATOM 641 CA LEU A 347 5.417 33.162 5.244 1.00 0.00 C ATOM 642 C LEU A 347 3.992 33.763 5.304 1.00 0.00 C ATOM 643 O LEU A 347 3.761 34.781 5.958 1.00 0.00 O ATOM 644 CB LEU A 347 6.207 33.721 4.031 1.00 0.00 C ATOM 645 CG LEU A 347 7.718 33.316 3.969 1.00 0.00 C ATOM 646 CD1 LEU A 347 8.352 33.719 2.621 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.504 33.921 5.157 1.00 0.00 C ATOM 0 H LEU A 347 5.783 31.305 4.319 1.00 0.00 H new ATOM 0 HA LEU A 347 5.932 33.450 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.720 33.384 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 347 6.140 34.809 4.046 1.00 0.00 H new ATOM 0 HG LEU A 347 7.773 32.230 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 347 9.401 33.424 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.826 33.219 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 347 8.277 34.799 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.551 33.624 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 347 8.432 35.008 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 347 8.083 33.557 6.094 1.00 0.00 H new ATOM 659 N TYR A 348 3.035 33.069 4.665 1.00 0.00 N ATOM 660 CA TYR A 348 1.608 33.455 4.642 1.00 0.00 C ATOM 661 C TYR A 348 0.810 32.830 5.816 1.00 0.00 C ATOM 662 O TYR A 348 -0.416 32.937 5.857 1.00 0.00 O ATOM 663 CB TYR A 348 0.984 33.090 3.258 1.00 0.00 C ATOM 664 CG TYR A 348 1.259 31.657 2.751 1.00 0.00 C ATOM 665 CD1 TYR A 348 0.347 30.619 2.958 1.00 0.00 C ATOM 666 CD2 TYR A 348 2.434 31.349 2.047 1.00 0.00 C ATOM 667 CE1 TYR A 348 0.594 29.342 2.482 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.678 30.074 1.578 1.00 0.00 C ATOM 669 CZ TYR A 348 1.759 29.075 1.794 1.00 0.00 C ATOM 670 OH TYR A 348 2.009 27.802 1.326 1.00 0.00 O ATOM 0 H TYR A 348 3.229 32.214 4.143 1.00 0.00 H new ATOM 0 HA TYR A 348 1.547 34.535 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 348 -0.095 33.232 3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 348 1.357 33.795 2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 348 -0.567 30.816 3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 348 3.162 32.126 1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 348 -0.126 28.555 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 348 3.591 29.861 1.041 1.00 0.00 H new ATOM 0 HH TYR A 348 2.873 27.787 0.863 1.00 0.00 H new ATOM 680 N CYS A 349 1.523 32.200 6.770 1.00 0.00 N ATOM 681 CA CYS A 349 0.926 31.674 8.028 1.00 0.00 C ATOM 682 C CYS A 349 1.459 32.455 9.245 1.00 0.00 C ATOM 683 O CYS A 349 1.251 32.048 10.395 1.00 0.00 O ATOM 684 CB CYS A 349 1.236 30.172 8.194 1.00 0.00 C ATOM 685 SG CYS A 349 0.415 29.104 6.979 1.00 0.00 S ATOM 0 H CYS A 349 2.527 32.038 6.697 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.155 31.803 7.969 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.314 30.025 8.121 1.00 0.00 H new ATOM 0 HB3 CYS A 349 0.939 29.860 9.195 1.00 0.00 H new ATOM 0 HG CYS A 349 0.190 27.938 7.508 1.00 0.00 H new ATOM 690 N LEU A 350 2.157 33.576 8.974 1.00 0.00 N ATOM 691 CA LEU A 350 2.736 34.441 10.020 1.00 0.00 C ATOM 692 C LEU A 350 1.772 35.589 10.370 1.00 0.00 C ATOM 693 O LEU A 350 0.747 35.782 9.711 1.00 0.00 O ATOM 694 CB LEU A 350 4.106 34.997 9.546 1.00 0.00 C ATOM 695 CG LEU A 350 5.189 33.921 9.220 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.469 34.572 8.672 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.496 33.030 10.447 1.00 0.00 C ATOM 0 H LEU A 350 2.335 33.906 8.025 1.00 0.00 H new ATOM 0 HA LEU A 350 2.892 33.848 10.921 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.944 35.606 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.497 35.659 10.318 1.00 0.00 H new ATOM 0 HG LEU A 350 4.782 33.274 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 350 7.206 33.799 8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 350 6.236 35.120 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.874 35.260 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.254 32.293 10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 350 5.864 33.650 11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.587 32.518 10.761 1.00 0.00 H new ATOM 709 N LYS A 351 2.125 36.341 11.418 1.00 0.00 N ATOM 710 CA LYS A 351 1.394 37.537 11.851 1.00 0.00 C ATOM 711 C LYS A 351 2.370 38.737 11.799 1.00 0.00 C ATOM 712 O LYS A 351 3.250 38.838 12.659 1.00 0.00 O ATOM 713 CB LYS A 351 0.839 37.338 13.293 1.00 0.00 C ATOM 714 CG LYS A 351 -0.025 38.513 13.825 1.00 0.00 C ATOM 715 CD LYS A 351 -1.349 38.720 13.031 1.00 0.00 C ATOM 716 CE LYS A 351 -2.470 37.723 13.394 1.00 0.00 C ATOM 717 NZ LYS A 351 -2.131 36.306 13.084 1.00 0.00 N ATOM 0 H LYS A 351 2.938 36.133 11.998 1.00 0.00 H new ATOM 0 HA LYS A 351 0.544 37.721 11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 351 0.241 36.427 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.678 37.185 13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -0.264 38.333 14.873 1.00 0.00 H new ATOM 0 HG3 LYS A 351 0.561 39.431 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -1.709 39.734 13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.136 38.637 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.692 37.810 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -3.377 37.997 12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.001 35.782 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -1.486 36.274 12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -1.669 35.871 13.908 1.00 0.00 H new ATOM 731 N PRO A 352 2.301 39.636 10.766 1.00 0.00 N ATOM 732 CA PRO A 352 1.379 39.527 9.608 1.00 0.00 C ATOM 733 C PRO A 352 1.970 38.624 8.479 1.00 0.00 C ATOM 734 O PRO A 352 3.176 38.329 8.501 1.00 0.00 O ATOM 735 CB PRO A 352 1.251 41.006 9.171 1.00 0.00 C ATOM 736 CG PRO A 352 2.614 41.588 9.429 1.00 0.00 C ATOM 737 CD PRO A 352 3.149 40.861 10.658 1.00 0.00 C ATOM 0 HA PRO A 352 0.424 39.057 9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 352 0.976 41.088 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.482 41.525 9.743 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.271 41.442 8.571 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.554 42.662 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 352 4.202 40.606 10.541 1.00 0.00 H new ATOM 0 HD3 PRO A 352 3.068 41.480 11.552 1.00 0.00 H new ATOM 745 N PRO A 353 1.125 38.117 7.514 1.00 0.00 N ATOM 746 CA PRO A 353 1.612 37.311 6.360 1.00 0.00 C ATOM 747 C PRO A 353 2.641 38.077 5.507 1.00 0.00 C ATOM 748 O PRO A 353 2.295 39.042 4.814 1.00 0.00 O ATOM 749 CB PRO A 353 0.326 36.994 5.553 1.00 0.00 C ATOM 750 CG PRO A 353 -0.775 37.119 6.557 1.00 0.00 C ATOM 751 CD PRO A 353 -0.357 38.242 7.488 1.00 0.00 C ATOM 0 HA PRO A 353 2.138 36.412 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.192 37.691 4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.362 35.993 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.724 37.346 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -0.913 36.187 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.674 39.216 7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.790 38.125 8.482 1.00 0.00 H new ATOM 759 N LEU A 354 3.904 37.651 5.602 1.00 0.00 N ATOM 760 CA LEU A 354 5.041 38.321 4.952 1.00 0.00 C ATOM 761 C LEU A 354 5.111 37.968 3.456 1.00 0.00 C ATOM 762 O LEU A 354 4.904 36.812 3.067 1.00 0.00 O ATOM 763 CB LEU A 354 6.359 37.953 5.685 1.00 0.00 C ATOM 764 CG LEU A 354 6.412 38.382 7.190 1.00 0.00 C ATOM 765 CD1 LEU A 354 7.716 37.932 7.863 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.203 39.905 7.357 1.00 0.00 C ATOM 0 H LEU A 354 4.171 36.824 6.136 1.00 0.00 H new ATOM 0 HA LEU A 354 4.899 39.400 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.504 36.874 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.193 38.418 5.159 1.00 0.00 H new ATOM 0 HG LEU A 354 5.588 37.876 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 354 7.715 38.248 8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 354 7.795 36.846 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.565 38.382 7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.246 40.164 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 354 6.986 40.441 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.230 40.185 6.954 1.00 0.00 H new ATOM 778 N THR A 355 5.412 38.986 2.639 1.00 0.00 N ATOM 779 CA THR A 355 5.477 38.870 1.170 1.00 0.00 C ATOM 780 C THR A 355 6.769 38.158 0.726 1.00 0.00 C ATOM 781 O THR A 355 6.843 37.620 -0.386 1.00 0.00 O ATOM 782 CB THR A 355 5.379 40.296 0.503 1.00 0.00 C ATOM 783 OG1 THR A 355 5.313 40.203 -0.937 1.00 0.00 O ATOM 784 CG2 THR A 355 6.552 41.211 0.893 1.00 0.00 C ATOM 0 H THR A 355 5.620 39.925 2.980 1.00 0.00 H new ATOM 0 HA THR A 355 4.630 38.268 0.841 1.00 0.00 H new ATOM 0 HB THR A 355 4.457 40.738 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 355 5.251 41.103 -1.320 1.00 0.00 H new ATOM 0 HG21 THR A 355 6.435 42.180 0.407 1.00 0.00 H new ATOM 0 HG22 THR A 355 6.563 41.347 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 355 7.490 40.756 0.575 1.00 0.00 H new ATOM 792 N SER A 356 7.786 38.169 1.607 1.00 0.00 N ATOM 793 CA SER A 356 9.112 37.600 1.327 1.00 0.00 C ATOM 794 C SER A 356 9.759 37.100 2.633 1.00 0.00 C ATOM 795 O SER A 356 9.219 37.312 3.725 1.00 0.00 O ATOM 796 CB SER A 356 10.013 38.675 0.677 1.00 0.00 C ATOM 797 OG SER A 356 9.470 39.166 -0.543 1.00 0.00 O ATOM 0 H SER A 356 7.708 38.576 2.539 1.00 0.00 H new ATOM 0 HA SER A 356 9.000 36.759 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 356 10.147 39.504 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 356 11.001 38.254 0.490 1.00 0.00 H new ATOM 0 HG SER A 356 10.070 39.844 -0.919 1.00 0.00 H new ATOM 803 N VAL A 357 10.910 36.417 2.501 1.00 0.00 N ATOM 804 CA VAL A 357 11.759 36.057 3.646 1.00 0.00 C ATOM 805 C VAL A 357 12.405 37.328 4.253 1.00 0.00 C ATOM 806 O VAL A 357 13.003 38.121 3.515 1.00 0.00 O ATOM 807 CB VAL A 357 12.865 35.006 3.243 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.640 35.425 1.967 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.845 34.739 4.416 1.00 0.00 C ATOM 0 H VAL A 357 11.275 36.101 1.602 1.00 0.00 H new ATOM 0 HA VAL A 357 11.125 35.589 4.399 1.00 0.00 H new ATOM 0 HB VAL A 357 12.342 34.078 3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.389 34.669 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.944 35.518 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.132 36.383 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.594 34.011 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.338 35.670 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.292 34.349 5.270 1.00 0.00 H new ATOM 819 N PRO A 358 12.259 37.557 5.601 1.00 0.00 N ATOM 820 CA PRO A 358 12.874 38.714 6.295 1.00 0.00 C ATOM 821 C PRO A 358 14.406 38.821 6.079 1.00 0.00 C ATOM 822 O PRO A 358 15.099 37.797 6.062 1.00 0.00 O ATOM 823 CB PRO A 358 12.563 38.450 7.790 1.00 0.00 C ATOM 824 CG PRO A 358 11.322 37.619 7.769 1.00 0.00 C ATOM 825 CD PRO A 358 11.439 36.741 6.541 1.00 0.00 C ATOM 0 HA PRO A 358 12.477 39.655 5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.384 37.927 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 358 12.409 39.382 8.334 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.238 37.017 8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 358 10.432 38.246 7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.921 35.791 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.461 36.508 6.121 1.00 0.00 H new ATOM 833 N PRO A 359 14.961 40.067 5.935 1.00 0.00 N ATOM 834 CA PRO A 359 16.425 40.292 5.859 1.00 0.00 C ATOM 835 C PRO A 359 17.082 40.304 7.258 1.00 0.00 C ATOM 836 O PRO A 359 18.268 40.631 7.391 1.00 0.00 O ATOM 837 CB PRO A 359 16.516 41.671 5.173 1.00 0.00 C ATOM 838 CG PRO A 359 15.311 42.405 5.682 1.00 0.00 C ATOM 839 CD PRO A 359 14.215 41.356 5.822 1.00 0.00 C ATOM 0 HA PRO A 359 16.953 39.505 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 359 17.439 42.188 5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 359 16.499 41.579 4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 359 15.520 42.883 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 359 15.012 43.193 4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 359 13.598 41.538 6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 359 13.549 41.357 4.959 1.00 0.00 H new ATOM 847 N GLU A 360 16.280 39.966 8.289 1.00 0.00 N ATOM 848 CA GLU A 360 16.718 39.886 9.682 1.00 0.00 C ATOM 849 C GLU A 360 17.766 38.771 9.863 1.00 0.00 C ATOM 850 O GLU A 360 17.632 37.699 9.263 1.00 0.00 O ATOM 851 CB GLU A 360 15.493 39.636 10.612 1.00 0.00 C ATOM 852 CG GLU A 360 14.327 40.636 10.433 1.00 0.00 C ATOM 853 CD GLU A 360 14.743 42.109 10.593 1.00 0.00 C ATOM 854 OE1 GLU A 360 14.982 42.790 9.571 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.832 42.591 11.738 1.00 0.00 O ATOM 0 H GLU A 360 15.293 39.738 8.165 1.00 0.00 H new ATOM 0 HA GLU A 360 17.182 40.834 9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.119 38.628 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 360 15.828 39.673 11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 360 13.890 40.497 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 360 13.549 40.407 11.161 1.00 0.00 H new ATOM 862 N PRO A 361 18.813 38.995 10.723 1.00 0.00 N ATOM 863 CA PRO A 361 19.890 37.993 10.967 1.00 0.00 C ATOM 864 C PRO A 361 19.441 36.796 11.844 1.00 0.00 C ATOM 865 O PRO A 361 20.264 35.976 12.262 1.00 0.00 O ATOM 866 CB PRO A 361 20.984 38.841 11.659 1.00 0.00 C ATOM 867 CG PRO A 361 20.228 39.913 12.384 1.00 0.00 C ATOM 868 CD PRO A 361 19.039 40.243 11.510 1.00 0.00 C ATOM 0 HA PRO A 361 20.220 37.508 10.048 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.576 38.239 12.348 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.676 39.266 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 361 19.907 39.568 13.367 1.00 0.00 H new ATOM 0 HG3 PRO A 361 20.852 40.792 12.543 1.00 0.00 H new ATOM 0 HD2 PRO A 361 18.165 40.503 12.107 1.00 0.00 H new ATOM 0 HD3 PRO A 361 19.245 41.093 10.860 1.00 0.00 H new ATOM 876 N GLU A 362 18.128 36.715 12.096 1.00 0.00 N ATOM 877 CA GLU A 362 17.490 35.640 12.857 1.00 0.00 C ATOM 878 C GLU A 362 16.037 35.492 12.366 1.00 0.00 C ATOM 879 O GLU A 362 15.385 36.499 12.053 1.00 0.00 O ATOM 880 CB GLU A 362 17.538 35.978 14.377 1.00 0.00 C ATOM 881 CG GLU A 362 16.861 37.313 14.755 1.00 0.00 C ATOM 882 CD GLU A 362 17.129 37.748 16.200 1.00 0.00 C ATOM 883 OE1 GLU A 362 16.383 37.335 17.112 1.00 0.00 O ATOM 884 OE2 GLU A 362 18.087 38.509 16.429 1.00 0.00 O ATOM 0 H GLU A 362 17.465 37.416 11.766 1.00 0.00 H new ATOM 0 HA GLU A 362 18.015 34.697 12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.058 35.172 14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 362 18.579 36.009 14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 362 17.211 38.093 14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 362 15.785 37.221 14.606 1.00 0.00 H new ATOM 891 N TRP A 363 15.536 34.248 12.271 1.00 0.00 N ATOM 892 CA TRP A 363 14.132 33.992 11.892 1.00 0.00 C ATOM 893 C TRP A 363 13.430 33.225 13.019 1.00 0.00 C ATOM 894 O TRP A 363 13.842 32.115 13.394 1.00 0.00 O ATOM 895 CB TRP A 363 14.018 33.224 10.547 1.00 0.00 C ATOM 896 CG TRP A 363 12.617 33.278 9.949 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.154 34.186 9.032 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.497 32.425 10.252 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.839 33.933 8.738 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.415 32.863 9.472 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.311 31.323 11.098 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.172 32.257 9.521 1.00 0.00 C ATOM 903 CZ3 TRP A 363 10.070 30.727 11.145 1.00 0.00 C ATOM 904 CH2 TRP A 363 9.019 31.194 10.356 1.00 0.00 C ATOM 0 H TRP A 363 16.080 33.404 12.451 1.00 0.00 H new ATOM 0 HA TRP A 363 13.641 34.954 11.745 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.728 33.643 9.834 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.301 32.183 10.704 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.740 34.985 8.603 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.269 34.460 8.077 1.00 0.00 H new ATOM 0 HE3 TRP A 363 12.125 30.948 11.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.352 32.616 8.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 9.908 29.886 11.803 1.00 0.00 H new ATOM 0 HH2 TRP A 363 8.060 30.700 10.409 1.00 0.00 H new ATOM 915 N TYR A 364 12.374 33.836 13.555 1.00 0.00 N ATOM 916 CA TYR A 364 11.515 33.247 14.589 1.00 0.00 C ATOM 917 C TYR A 364 10.035 33.543 14.279 1.00 0.00 C ATOM 918 O TYR A 364 9.724 34.406 13.451 1.00 0.00 O ATOM 919 CB TYR A 364 11.894 33.774 16.001 1.00 0.00 C ATOM 920 CG TYR A 364 13.271 33.320 16.495 1.00 0.00 C ATOM 921 CD1 TYR A 364 13.432 32.086 17.124 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.404 34.111 16.320 1.00 0.00 C ATOM 923 CE1 TYR A 364 14.666 31.660 17.556 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.644 33.686 16.754 1.00 0.00 C ATOM 925 CZ TYR A 364 15.771 32.458 17.374 1.00 0.00 C ATOM 926 OH TYR A 364 17.006 32.019 17.801 1.00 0.00 O ATOM 0 H TYR A 364 12.083 34.774 13.279 1.00 0.00 H new ATOM 0 HA TYR A 364 11.667 32.168 14.586 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.867 34.864 15.989 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.138 33.444 16.714 1.00 0.00 H new ATOM 0 HD1 TYR A 364 12.571 31.452 17.275 1.00 0.00 H new ATOM 0 HD2 TYR A 364 14.311 35.072 15.837 1.00 0.00 H new ATOM 0 HE1 TYR A 364 14.767 30.699 18.038 1.00 0.00 H new ATOM 0 HE2 TYR A 364 16.512 34.312 16.609 1.00 0.00 H new ATOM 0 HH TYR A 364 17.018 31.039 17.815 1.00 0.00 H new ATOM 936 N CYS A 365 9.131 32.793 14.933 1.00 0.00 N ATOM 937 CA CYS A 365 7.679 32.993 14.811 1.00 0.00 C ATOM 938 C CYS A 365 7.245 34.213 15.648 1.00 0.00 C ATOM 939 O CYS A 365 7.919 34.534 16.626 1.00 0.00 O ATOM 940 CB CYS A 365 6.943 31.727 15.286 1.00 0.00 C ATOM 941 SG CYS A 365 7.044 31.416 17.077 1.00 0.00 S ATOM 0 H CYS A 365 9.388 32.031 15.561 1.00 0.00 H new ATOM 0 HA CYS A 365 7.425 33.180 13.768 1.00 0.00 H new ATOM 0 HB2 CYS A 365 5.893 31.806 15.003 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.352 30.866 14.758 1.00 0.00 H new ATOM 0 HG CYS A 365 8.214 31.777 17.515 1.00 0.00 H new ATOM 946 N PRO A 366 6.122 34.903 15.275 1.00 0.00 N ATOM 947 CA PRO A 366 5.583 36.081 16.028 1.00 0.00 C ATOM 948 C PRO A 366 5.408 35.841 17.550 1.00 0.00 C ATOM 949 O PRO A 366 5.609 36.743 18.367 1.00 0.00 O ATOM 950 CB PRO A 366 4.206 36.308 15.364 1.00 0.00 C ATOM 951 CG PRO A 366 4.368 35.803 13.967 1.00 0.00 C ATOM 952 CD PRO A 366 5.303 34.626 14.053 1.00 0.00 C ATOM 0 HA PRO A 366 6.269 36.927 15.975 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.419 35.768 15.891 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.931 37.363 15.374 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.407 35.507 13.546 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.776 36.578 13.318 1.00 0.00 H new ATOM 0 HD2 PRO A 366 4.756 33.687 14.143 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.928 34.547 13.163 1.00 0.00 H new ATOM 960 N SER A 367 5.035 34.602 17.896 1.00 0.00 N ATOM 961 CA SER A 367 4.820 34.169 19.287 1.00 0.00 C ATOM 962 C SER A 367 6.107 34.302 20.158 1.00 0.00 C ATOM 963 O SER A 367 6.024 34.447 21.386 1.00 0.00 O ATOM 964 CB SER A 367 4.312 32.714 19.273 1.00 0.00 C ATOM 965 OG SER A 367 3.164 32.583 18.442 1.00 0.00 O ATOM 0 H SER A 367 4.872 33.863 17.212 1.00 0.00 H new ATOM 0 HA SER A 367 4.077 34.823 19.744 1.00 0.00 H new ATOM 0 HB2 SER A 367 5.101 32.053 18.916 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.068 32.400 20.288 1.00 0.00 H new ATOM 0 HG SER A 367 2.861 31.651 18.447 1.00 0.00 H new ATOM 971 N CYS A 368 7.278 34.269 19.500 1.00 0.00 N ATOM 972 CA CYS A 368 8.591 34.424 20.155 1.00 0.00 C ATOM 973 C CYS A 368 8.921 35.903 20.451 1.00 0.00 C ATOM 974 O CYS A 368 9.407 36.209 21.545 1.00 0.00 O ATOM 975 CB CYS A 368 9.706 33.772 19.290 1.00 0.00 C ATOM 976 SG CYS A 368 9.903 31.972 19.552 1.00 0.00 S ATOM 0 H CYS A 368 7.342 34.133 18.491 1.00 0.00 H new ATOM 0 HA CYS A 368 8.542 33.910 21.115 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.486 33.953 18.238 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.654 34.265 19.507 1.00 0.00 H new ATOM 0 HG CYS A 368 10.159 31.394 18.416 1.00 0.00 H new