USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=14 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 323 CYS SG : rot -157:sc= 0.0135 USER MOD Set 1.2: A 326 CYS SG : rot -64:sc= 0.309 USER MOD Set 1.3: A 346 HIS : no HD1:sc= -0.793 K(o=-2.9,f=-4.9!) USER MOD Set 1.4: A 349 CYS SG : rot -153:sc= -2.42! USER MOD Set 2.1: A 338 CYS SG : rot 157:sc= 0.328 USER MOD Set 2.2: A 341 CYS SG : rot 52:sc= 0.108 USER MOD Set 2.3: A 365 CYS SG : rot -118:sc= 0.217 USER MOD Set 2.4: A 368 CYS SG : rot 148:sc= -2.56! USER MOD Single : A 324 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 175:sc= 0.114 (180deg=0.0822) USER MOD Single : A 335 GLN : amide:sc= -0.554 K(o=-0.55,f=-2.3!) USER MOD Single : A 343 MET CE :methyl -163:sc= -2.66 (180deg=-3.36!) USER MOD Single : A 348 TYR OH : rot 30:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot -32:sc= 0.238 USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 364 TYR OH : rot -130:sc= 0.316 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 6.125 19.268 9.741 1.00 0.00 N ATOM 286 CA ALA A 322 5.466 20.196 8.815 1.00 0.00 C ATOM 287 C ALA A 322 5.322 21.579 9.467 1.00 0.00 C ATOM 288 O ALA A 322 5.708 21.787 10.624 1.00 0.00 O ATOM 289 CB ALA A 322 4.081 19.649 8.415 1.00 0.00 C ATOM 0 HA ALA A 322 6.078 20.294 7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 322 3.600 20.345 7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.199 18.681 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.464 19.534 9.306 1.00 0.00 H new ATOM 295 N CYS A 323 4.759 22.520 8.705 1.00 0.00 N ATOM 296 CA CYS A 323 4.296 23.804 9.239 1.00 0.00 C ATOM 297 C CYS A 323 3.009 23.561 10.030 1.00 0.00 C ATOM 298 O CYS A 323 1.926 23.416 9.444 1.00 0.00 O ATOM 299 CB CYS A 323 4.097 24.822 8.105 1.00 0.00 C ATOM 300 SG CYS A 323 2.968 26.192 8.491 1.00 0.00 S ATOM 0 H CYS A 323 4.611 22.414 7.701 1.00 0.00 H new ATOM 0 HA CYS A 323 5.044 24.230 9.908 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.068 25.237 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.720 24.297 7.228 1.00 0.00 H new ATOM 0 HG CYS A 323 2.498 26.691 7.387 1.00 0.00 H new ATOM 305 N HIS A 324 3.167 23.529 11.366 1.00 0.00 N ATOM 306 CA HIS A 324 2.180 22.992 12.322 1.00 0.00 C ATOM 307 C HIS A 324 0.851 23.767 12.292 1.00 0.00 C ATOM 308 O HIS A 324 -0.209 23.177 12.496 1.00 0.00 O ATOM 309 CB HIS A 324 2.816 23.006 13.742 1.00 0.00 C ATOM 310 CG HIS A 324 1.923 22.501 14.855 1.00 0.00 C ATOM 311 ND1 HIS A 324 1.407 21.222 14.915 1.00 0.00 N ATOM 312 CD2 HIS A 324 1.470 23.135 15.970 1.00 0.00 C ATOM 313 CE1 HIS A 324 0.672 21.127 16.028 1.00 0.00 C ATOM 314 NE2 HIS A 324 0.678 22.261 16.704 1.00 0.00 N ATOM 0 H HIS A 324 4.007 23.885 11.823 1.00 0.00 H new ATOM 0 HA HIS A 324 1.930 21.970 12.036 1.00 0.00 H new ATOM 0 HB2 HIS A 324 3.722 22.401 13.722 1.00 0.00 H new ATOM 0 HB3 HIS A 324 3.119 24.026 13.976 1.00 0.00 H new ATOM 0 HD2 HIS A 324 1.691 24.157 16.242 1.00 0.00 H new ATOM 0 HE1 HIS A 324 0.142 20.237 16.334 1.00 0.00 H new ATOM 0 HE2 HIS A 324 0.200 22.455 17.584 1.00 0.00 H new ATOM 322 N VAL A 325 0.929 25.075 11.960 1.00 0.00 N ATOM 323 CA VAL A 325 -0.230 25.993 11.995 1.00 0.00 C ATOM 324 C VAL A 325 -1.344 25.533 11.023 1.00 0.00 C ATOM 325 O VAL A 325 -2.534 25.687 11.307 1.00 0.00 O ATOM 326 CB VAL A 325 0.196 27.482 11.678 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.960 28.488 11.940 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.452 27.881 12.484 1.00 0.00 C ATOM 0 H VAL A 325 1.795 25.523 11.661 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.627 25.964 13.010 1.00 0.00 H new ATOM 0 HB VAL A 325 0.435 27.526 10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.622 29.498 11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.812 28.236 11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.258 28.436 12.987 1.00 0.00 H new ATOM 0 HG21 VAL A 325 1.724 28.910 12.248 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.242 27.797 13.550 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.277 27.218 12.223 1.00 0.00 H new ATOM 338 N CYS A 326 -0.937 24.943 9.882 1.00 0.00 N ATOM 339 CA CYS A 326 -1.880 24.378 8.881 1.00 0.00 C ATOM 340 C CYS A 326 -1.681 22.855 8.726 1.00 0.00 C ATOM 341 O CYS A 326 -2.448 22.199 8.010 1.00 0.00 O ATOM 342 CB CYS A 326 -1.700 25.075 7.510 1.00 0.00 C ATOM 343 SG CYS A 326 -0.085 24.779 6.721 1.00 0.00 S ATOM 0 H CYS A 326 0.045 24.842 9.624 1.00 0.00 H new ATOM 0 HA CYS A 326 -2.893 24.558 9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.487 24.735 6.837 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.835 26.149 7.641 1.00 0.00 H new ATOM 0 HG CYS A 326 0.856 25.301 7.450 1.00 0.00 H new ATOM 348 N GLY A 327 -0.654 22.314 9.417 1.00 0.00 N ATOM 349 CA GLY A 327 -0.297 20.891 9.344 1.00 0.00 C ATOM 350 C GLY A 327 0.111 20.424 7.943 1.00 0.00 C ATOM 351 O GLY A 327 -0.265 19.323 7.515 1.00 0.00 O ATOM 0 H GLY A 327 -0.053 22.856 10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 327 0.524 20.697 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.145 20.296 9.682 1.00 0.00 H new ATOM 355 N GLY A 328 0.886 21.262 7.223 1.00 0.00 N ATOM 356 CA GLY A 328 1.248 20.978 5.824 1.00 0.00 C ATOM 357 C GLY A 328 2.636 21.479 5.446 1.00 0.00 C ATOM 358 O GLY A 328 3.191 22.364 6.108 1.00 0.00 O ATOM 0 H GLY A 328 1.269 22.134 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 328 1.199 19.902 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.512 21.438 5.165 1.00 0.00 H new ATOM 362 N ARG A 329 3.192 20.902 4.363 1.00 0.00 N ATOM 363 CA ARG A 329 4.547 21.213 3.850 1.00 0.00 C ATOM 364 C ARG A 329 4.482 21.891 2.466 1.00 0.00 C ATOM 365 O ARG A 329 5.508 22.016 1.786 1.00 0.00 O ATOM 366 CB ARG A 329 5.392 19.907 3.763 1.00 0.00 C ATOM 367 CG ARG A 329 5.620 19.195 5.114 1.00 0.00 C ATOM 368 CD ARG A 329 6.491 17.931 4.988 1.00 0.00 C ATOM 369 NE ARG A 329 7.842 18.239 4.482 1.00 0.00 N ATOM 370 CZ ARG A 329 8.627 17.413 3.768 1.00 0.00 C ATOM 371 NH1 ARG A 329 8.215 16.199 3.416 1.00 0.00 N ATOM 372 NH2 ARG A 329 9.826 17.818 3.398 1.00 0.00 N ATOM 0 H ARG A 329 2.708 20.196 3.809 1.00 0.00 H new ATOM 0 HA ARG A 329 5.020 21.908 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 329 4.897 19.215 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 329 6.361 20.146 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 329 6.094 19.889 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 329 4.655 18.924 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 329 6.570 17.447 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 329 6.006 17.222 4.318 1.00 0.00 H new ATOM 0 HE ARG A 329 8.215 19.164 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 329 7.286 15.877 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 329 8.828 15.590 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 329 10.151 18.751 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 329 10.429 17.199 2.856 1.00 0.00 H new ATOM 386 N GLU A 330 3.281 22.350 2.084 1.00 0.00 N ATOM 387 CA GLU A 330 3.013 22.918 0.749 1.00 0.00 C ATOM 388 C GLU A 330 3.801 24.231 0.551 1.00 0.00 C ATOM 389 O GLU A 330 3.590 25.180 1.304 1.00 0.00 O ATOM 390 CB GLU A 330 1.498 23.169 0.590 1.00 0.00 C ATOM 391 CG GLU A 330 0.624 21.935 0.870 1.00 0.00 C ATOM 392 CD GLU A 330 -0.876 22.225 0.741 1.00 0.00 C ATOM 393 OE1 GLU A 330 -1.498 22.661 1.735 1.00 0.00 O ATOM 394 OE2 GLU A 330 -1.441 22.037 -0.356 1.00 0.00 O ATOM 0 H GLU A 330 2.463 22.339 2.693 1.00 0.00 H new ATOM 0 HA GLU A 330 3.340 22.209 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 330 1.201 23.972 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.303 23.517 -0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 330 0.896 21.139 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 330 0.833 21.568 1.875 1.00 0.00 H new ATOM 401 N ALA A 331 4.698 24.243 -0.460 1.00 0.00 N ATOM 402 CA ALA A 331 5.678 25.324 -0.719 1.00 0.00 C ATOM 403 C ALA A 331 6.834 25.269 0.307 1.00 0.00 C ATOM 404 O ALA A 331 6.815 25.999 1.314 1.00 0.00 O ATOM 405 CB ALA A 331 5.041 26.730 -0.784 1.00 0.00 C ATOM 0 H ALA A 331 4.763 23.482 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 331 6.086 25.143 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.816 27.472 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 331 4.304 26.759 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.553 26.953 0.165 1.00 0.00 H new ATOM 411 N PRO A 332 7.860 24.378 0.075 1.00 0.00 N ATOM 412 CA PRO A 332 9.053 24.273 0.958 1.00 0.00 C ATOM 413 C PRO A 332 9.962 25.522 0.887 1.00 0.00 C ATOM 414 O PRO A 332 10.755 25.773 1.801 1.00 0.00 O ATOM 415 CB PRO A 332 9.777 22.999 0.441 1.00 0.00 C ATOM 416 CG PRO A 332 9.346 22.879 -0.990 1.00 0.00 C ATOM 417 CD PRO A 332 7.921 23.387 -1.041 1.00 0.00 C ATOM 0 HA PRO A 332 8.780 24.210 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.860 23.096 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.492 22.119 1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 332 9.993 23.465 -1.643 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.404 21.845 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 332 7.695 23.851 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.202 22.580 -0.900 1.00 0.00 H new ATOM 425 N GLU A 333 9.810 26.307 -0.204 1.00 0.00 N ATOM 426 CA GLU A 333 10.513 27.593 -0.383 1.00 0.00 C ATOM 427 C GLU A 333 9.989 28.657 0.611 1.00 0.00 C ATOM 428 O GLU A 333 10.662 29.653 0.877 1.00 0.00 O ATOM 429 CB GLU A 333 10.349 28.114 -1.841 1.00 0.00 C ATOM 430 CG GLU A 333 8.890 28.449 -2.246 1.00 0.00 C ATOM 431 CD GLU A 333 8.767 29.175 -3.599 1.00 0.00 C ATOM 432 OE1 GLU A 333 8.618 28.502 -4.643 1.00 0.00 O ATOM 433 OE2 GLU A 333 8.805 30.423 -3.621 1.00 0.00 O ATOM 0 H GLU A 333 9.197 26.065 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 333 11.571 27.419 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 333 10.961 29.008 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 333 10.739 27.363 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.314 27.525 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 333 8.442 29.070 -1.470 1.00 0.00 H new ATOM 440 N LYS A 334 8.763 28.441 1.129 1.00 0.00 N ATOM 441 CA LYS A 334 8.099 29.360 2.075 1.00 0.00 C ATOM 442 C LYS A 334 8.047 28.773 3.496 1.00 0.00 C ATOM 443 O LYS A 334 7.550 29.429 4.410 1.00 0.00 O ATOM 444 CB LYS A 334 6.678 29.718 1.539 1.00 0.00 C ATOM 445 CG LYS A 334 6.720 30.594 0.262 1.00 0.00 C ATOM 446 CD LYS A 334 5.326 30.918 -0.315 1.00 0.00 C ATOM 447 CE LYS A 334 5.396 31.873 -1.524 1.00 0.00 C ATOM 448 NZ LYS A 334 6.209 31.324 -2.641 1.00 0.00 N ATOM 0 H LYS A 334 8.203 27.620 0.901 1.00 0.00 H new ATOM 0 HA LYS A 334 8.685 30.277 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.133 28.798 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.123 30.244 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.235 31.527 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 334 7.309 30.082 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 334 4.836 29.992 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 334 4.709 31.367 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 334 4.386 32.076 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 334 5.819 32.826 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.154 31.965 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 7.200 31.234 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.843 30.388 -2.910 1.00 0.00 H new ATOM 462 N GLN A 335 8.578 27.550 3.680 1.00 0.00 N ATOM 463 CA GLN A 335 8.717 26.941 5.013 1.00 0.00 C ATOM 464 C GLN A 335 9.984 27.482 5.697 1.00 0.00 C ATOM 465 O GLN A 335 11.083 26.952 5.505 1.00 0.00 O ATOM 466 CB GLN A 335 8.758 25.396 4.926 1.00 0.00 C ATOM 467 CG GLN A 335 7.461 24.743 4.437 1.00 0.00 C ATOM 468 CD GLN A 335 7.467 23.223 4.581 1.00 0.00 C ATOM 469 OE1 GLN A 335 7.852 22.497 3.671 1.00 0.00 O ATOM 470 NE2 GLN A 335 7.061 22.735 5.749 1.00 0.00 N ATOM 0 H GLN A 335 8.919 26.963 2.918 1.00 0.00 H new ATOM 0 HA GLN A 335 7.845 27.209 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 335 9.568 25.106 4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.999 24.997 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.621 25.152 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 335 7.302 25.003 3.390 1.00 0.00 H new ATOM 0 HE21 GLN A 335 6.747 23.368 6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 335 7.064 21.728 5.910 1.00 0.00 H new ATOM 479 N LEU A 336 9.818 28.585 6.440 1.00 0.00 N ATOM 480 CA LEU A 336 10.897 29.213 7.219 1.00 0.00 C ATOM 481 C LEU A 336 10.901 28.652 8.644 1.00 0.00 C ATOM 482 O LEU A 336 9.882 28.711 9.342 1.00 0.00 O ATOM 483 CB LEU A 336 10.705 30.747 7.241 1.00 0.00 C ATOM 484 CG LEU A 336 10.808 31.453 5.860 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.466 32.962 5.956 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.206 31.240 5.245 1.00 0.00 C ATOM 0 H LEU A 336 8.925 29.071 6.519 1.00 0.00 H new ATOM 0 HA LEU A 336 11.857 28.990 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.728 30.967 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.451 31.180 7.908 1.00 0.00 H new ATOM 0 HG LEU A 336 10.068 30.998 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 336 10.550 33.418 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.447 33.081 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.160 33.449 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 336 12.259 31.742 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 336 12.963 31.654 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.386 30.173 5.110 1.00 0.00 H new ATOM 498 N LEU A 337 12.057 28.148 9.082 1.00 0.00 N ATOM 499 CA LEU A 337 12.185 27.432 10.361 1.00 0.00 C ATOM 500 C LEU A 337 12.447 28.425 11.499 1.00 0.00 C ATOM 501 O LEU A 337 13.477 29.108 11.523 1.00 0.00 O ATOM 502 CB LEU A 337 13.305 26.341 10.308 1.00 0.00 C ATOM 503 CG LEU A 337 12.983 25.048 9.479 1.00 0.00 C ATOM 504 CD1 LEU A 337 12.862 25.327 7.960 1.00 0.00 C ATOM 505 CD2 LEU A 337 14.015 23.932 9.765 1.00 0.00 C ATOM 0 H LEU A 337 12.932 28.223 8.563 1.00 0.00 H new ATOM 0 HA LEU A 337 11.243 26.917 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 337 14.205 26.796 9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.539 26.042 11.330 1.00 0.00 H new ATOM 0 HG LEU A 337 12.004 24.700 9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 337 12.639 24.398 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 337 12.060 26.044 7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.802 25.736 7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 337 13.767 23.048 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 337 15.012 24.280 9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 337 13.994 23.680 10.825 1.00 0.00 H new ATOM 517 N CYS A 338 11.465 28.519 12.410 1.00 0.00 N ATOM 518 CA CYS A 338 11.570 29.323 13.626 1.00 0.00 C ATOM 519 C CYS A 338 12.534 28.670 14.605 1.00 0.00 C ATOM 520 O CYS A 338 12.307 27.529 14.993 1.00 0.00 O ATOM 521 CB CYS A 338 10.196 29.493 14.289 1.00 0.00 C ATOM 522 SG CYS A 338 10.207 30.602 15.733 1.00 0.00 S ATOM 0 H CYS A 338 10.572 28.034 12.318 1.00 0.00 H new ATOM 0 HA CYS A 338 11.948 30.308 13.350 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.493 29.880 13.551 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.829 28.514 14.597 1.00 0.00 H new ATOM 0 HG CYS A 338 9.011 31.074 15.927 1.00 0.00 H new ATOM 527 N ASP A 339 13.591 29.407 14.984 1.00 0.00 N ATOM 528 CA ASP A 339 14.599 28.952 15.963 1.00 0.00 C ATOM 529 C ASP A 339 13.928 28.481 17.275 1.00 0.00 C ATOM 530 O ASP A 339 14.129 27.343 17.707 1.00 0.00 O ATOM 531 CB ASP A 339 15.614 30.099 16.245 1.00 0.00 C ATOM 532 CG ASP A 339 16.634 29.753 17.351 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.642 29.074 17.057 1.00 0.00 O ATOM 534 OD2 ASP A 339 16.428 30.154 18.516 1.00 0.00 O ATOM 0 H ASP A 339 13.774 30.342 14.619 1.00 0.00 H new ATOM 0 HA ASP A 339 15.133 28.101 15.542 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.151 30.334 15.326 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.067 30.997 16.533 1.00 0.00 H new ATOM 539 N GLU A 340 13.104 29.373 17.858 1.00 0.00 N ATOM 540 CA GLU A 340 12.407 29.138 19.146 1.00 0.00 C ATOM 541 C GLU A 340 11.504 27.888 19.100 1.00 0.00 C ATOM 542 O GLU A 340 11.523 27.052 20.008 1.00 0.00 O ATOM 543 CB GLU A 340 11.543 30.372 19.500 1.00 0.00 C ATOM 544 CG GLU A 340 10.906 30.344 20.904 1.00 0.00 C ATOM 545 CD GLU A 340 11.950 30.438 22.022 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.235 29.421 22.688 1.00 0.00 O ATOM 547 OE2 GLU A 340 12.517 31.534 22.210 1.00 0.00 O ATOM 0 H GLU A 340 12.899 30.285 17.449 1.00 0.00 H new ATOM 0 HA GLU A 340 13.171 28.973 19.905 1.00 0.00 H new ATOM 0 HB2 GLU A 340 12.162 31.265 19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 340 10.749 30.464 18.759 1.00 0.00 H new ATOM 0 HG2 GLU A 340 10.203 31.171 20.997 1.00 0.00 H new ATOM 0 HG3 GLU A 340 10.333 29.424 21.022 1.00 0.00 H new ATOM 554 N CYS A 341 10.709 27.783 18.021 1.00 0.00 N ATOM 555 CA CYS A 341 9.740 26.682 17.832 1.00 0.00 C ATOM 556 C CYS A 341 10.421 25.432 17.261 1.00 0.00 C ATOM 557 O CYS A 341 9.813 24.351 17.230 1.00 0.00 O ATOM 558 CB CYS A 341 8.596 27.138 16.901 1.00 0.00 C ATOM 559 SG CYS A 341 7.585 28.501 17.561 1.00 0.00 S ATOM 0 H CYS A 341 10.718 28.456 17.255 1.00 0.00 H new ATOM 0 HA CYS A 341 9.328 26.423 18.807 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.022 27.447 15.947 1.00 0.00 H new ATOM 0 HB3 CYS A 341 7.947 26.286 16.699 1.00 0.00 H new ATOM 0 HG CYS A 341 8.361 29.475 17.935 1.00 0.00 H new ATOM 564 N ASP A 342 11.680 25.605 16.798 1.00 0.00 N ATOM 565 CA ASP A 342 12.483 24.560 16.126 1.00 0.00 C ATOM 566 C ASP A 342 11.781 24.011 14.870 1.00 0.00 C ATOM 567 O ASP A 342 12.148 22.941 14.374 1.00 0.00 O ATOM 568 CB ASP A 342 12.848 23.407 17.111 1.00 0.00 C ATOM 569 CG ASP A 342 13.814 23.849 18.219 1.00 0.00 C ATOM 570 OD1 ASP A 342 13.373 24.513 19.185 1.00 0.00 O ATOM 571 OD2 ASP A 342 15.018 23.509 18.151 1.00 0.00 O ATOM 0 H ASP A 342 12.175 26.493 16.883 1.00 0.00 H new ATOM 0 HA ASP A 342 13.409 25.032 15.799 1.00 0.00 H new ATOM 0 HB2 ASP A 342 11.935 23.021 17.565 1.00 0.00 H new ATOM 0 HB3 ASP A 342 13.297 22.586 16.551 1.00 0.00 H new ATOM 576 N MET A 343 10.808 24.762 14.314 1.00 0.00 N ATOM 577 CA MET A 343 9.928 24.221 13.273 1.00 0.00 C ATOM 578 C MET A 343 9.567 25.248 12.201 1.00 0.00 C ATOM 579 O MET A 343 9.439 26.448 12.481 1.00 0.00 O ATOM 580 CB MET A 343 8.639 23.630 13.912 1.00 0.00 C ATOM 581 CG MET A 343 7.770 22.757 12.978 1.00 0.00 C ATOM 582 SD MET A 343 8.383 21.061 12.748 1.00 0.00 S ATOM 583 CE MET A 343 9.944 21.198 11.857 1.00 0.00 C ATOM 0 H MET A 343 10.618 25.731 14.568 1.00 0.00 H new ATOM 0 HA MET A 343 10.485 23.429 12.771 1.00 0.00 H new ATOM 0 HB2 MET A 343 8.925 23.031 14.777 1.00 0.00 H new ATOM 0 HB3 MET A 343 8.028 24.453 14.282 1.00 0.00 H new ATOM 0 HG2 MET A 343 6.758 22.713 13.380 1.00 0.00 H new ATOM 0 HG3 MET A 343 7.705 23.242 12.004 1.00 0.00 H new ATOM 0 HE1 MET A 343 10.205 20.230 11.430 1.00 0.00 H new ATOM 0 HE2 MET A 343 9.843 21.932 11.057 1.00 0.00 H new ATOM 0 HE3 MET A 343 10.728 21.515 12.544 1.00 0.00 H new ATOM 593 N ALA A 344 9.375 24.723 10.977 1.00 0.00 N ATOM 594 CA ALA A 344 9.019 25.484 9.783 1.00 0.00 C ATOM 595 C ALA A 344 7.601 26.057 9.879 1.00 0.00 C ATOM 596 O ALA A 344 6.706 25.410 10.425 1.00 0.00 O ATOM 597 CB ALA A 344 9.133 24.574 8.549 1.00 0.00 C ATOM 0 H ALA A 344 9.468 23.724 10.794 1.00 0.00 H new ATOM 0 HA ALA A 344 9.709 26.323 9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 344 8.868 25.138 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 344 10.157 24.210 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 344 8.455 23.727 8.658 1.00 0.00 H new ATOM 603 N PHE A 345 7.416 27.275 9.357 1.00 0.00 N ATOM 604 CA PHE A 345 6.115 27.945 9.234 1.00 0.00 C ATOM 605 C PHE A 345 6.091 28.680 7.893 1.00 0.00 C ATOM 606 O PHE A 345 7.104 29.250 7.479 1.00 0.00 O ATOM 607 CB PHE A 345 5.855 28.951 10.395 1.00 0.00 C ATOM 608 CG PHE A 345 5.827 28.322 11.786 1.00 0.00 C ATOM 609 CD1 PHE A 345 6.718 28.724 12.777 1.00 0.00 C ATOM 610 CD2 PHE A 345 4.905 27.323 12.098 1.00 0.00 C ATOM 611 CE1 PHE A 345 6.690 28.144 14.030 1.00 0.00 C ATOM 612 CE2 PHE A 345 4.880 26.743 13.353 1.00 0.00 C ATOM 613 CZ PHE A 345 5.769 27.155 14.319 1.00 0.00 C ATOM 0 H PHE A 345 8.188 27.838 8.999 1.00 0.00 H new ATOM 0 HA PHE A 345 5.327 27.194 9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.628 29.719 10.373 1.00 0.00 H new ATOM 0 HB3 PHE A 345 4.903 29.452 10.218 1.00 0.00 H new ATOM 0 HD1 PHE A 345 7.440 29.499 12.563 1.00 0.00 H new ATOM 0 HD2 PHE A 345 4.200 26.997 11.348 1.00 0.00 H new ATOM 0 HE1 PHE A 345 7.391 28.465 14.787 1.00 0.00 H new ATOM 0 HE2 PHE A 345 4.163 25.967 13.575 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.747 26.706 15.301 1.00 0.00 H new ATOM 623 N HIS A 346 4.934 28.650 7.214 1.00 0.00 N ATOM 624 CA HIS A 346 4.738 29.364 5.941 1.00 0.00 C ATOM 625 C HIS A 346 4.567 30.862 6.199 1.00 0.00 C ATOM 626 O HIS A 346 4.049 31.245 7.254 1.00 0.00 O ATOM 627 CB HIS A 346 3.514 28.814 5.179 1.00 0.00 C ATOM 628 CG HIS A 346 3.630 27.379 4.751 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.662 26.451 5.065 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.600 26.786 4.021 1.00 0.00 C ATOM 631 CE1 HIS A 346 3.080 25.324 4.514 1.00 0.00 C ATOM 632 NE2 HIS A 346 4.249 25.477 3.880 1.00 0.00 N ATOM 0 H HIS A 346 4.112 28.134 7.528 1.00 0.00 H new ATOM 0 HA HIS A 346 5.622 29.206 5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.633 28.920 5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.347 29.430 4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 346 5.486 27.260 3.624 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.541 24.390 4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 346 4.774 24.755 3.387 1.00 0.00 H new ATOM 640 N LEU A 347 4.981 31.680 5.213 1.00 0.00 N ATOM 641 CA LEU A 347 4.878 33.157 5.261 1.00 0.00 C ATOM 642 C LEU A 347 3.434 33.624 5.557 1.00 0.00 C ATOM 643 O LEU A 347 3.225 34.560 6.327 1.00 0.00 O ATOM 644 CB LEU A 347 5.381 33.787 3.918 1.00 0.00 C ATOM 645 CG LEU A 347 6.928 33.978 3.747 1.00 0.00 C ATOM 646 CD1 LEU A 347 7.685 32.647 3.773 1.00 0.00 C ATOM 647 CD2 LEU A 347 7.255 34.785 2.461 1.00 0.00 C ATOM 0 H LEU A 347 5.401 31.334 4.350 1.00 0.00 H new ATOM 0 HA LEU A 347 5.513 33.499 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.026 33.162 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 347 4.906 34.762 3.804 1.00 0.00 H new ATOM 0 HG LEU A 347 7.273 34.554 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 347 8.752 32.833 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.510 32.148 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.332 32.012 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 347 8.335 34.901 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 347 6.872 34.253 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 347 6.788 35.768 2.520 1.00 0.00 H new ATOM 659 N TYR A 348 2.453 32.938 4.951 1.00 0.00 N ATOM 660 CA TYR A 348 1.030 33.330 5.027 1.00 0.00 C ATOM 661 C TYR A 348 0.326 32.695 6.251 1.00 0.00 C ATOM 662 O TYR A 348 -0.817 33.028 6.554 1.00 0.00 O ATOM 663 CB TYR A 348 0.310 32.940 3.711 1.00 0.00 C ATOM 664 CG TYR A 348 1.070 33.371 2.441 1.00 0.00 C ATOM 665 CD1 TYR A 348 1.310 34.720 2.162 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.550 32.426 1.531 1.00 0.00 C ATOM 667 CE1 TYR A 348 2.007 35.101 1.030 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.244 32.805 0.403 1.00 0.00 C ATOM 669 CZ TYR A 348 2.465 34.142 0.153 1.00 0.00 C ATOM 670 OH TYR A 348 3.152 34.521 -0.978 1.00 0.00 O ATOM 0 H TYR A 348 2.619 32.099 4.396 1.00 0.00 H new ATOM 0 HA TYR A 348 0.979 34.411 5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 348 0.168 31.859 3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 348 -0.682 33.392 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 348 0.945 35.476 2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 348 1.373 31.377 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 348 2.192 36.147 0.834 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.614 32.057 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 348 3.634 35.356 -0.803 1.00 0.00 H new ATOM 680 N CYS A 349 1.033 31.796 6.964 1.00 0.00 N ATOM 681 CA CYS A 349 0.525 31.157 8.207 1.00 0.00 C ATOM 682 C CYS A 349 0.945 31.959 9.457 1.00 0.00 C ATOM 683 O CYS A 349 1.000 31.427 10.574 1.00 0.00 O ATOM 684 CB CYS A 349 1.038 29.705 8.290 1.00 0.00 C ATOM 685 SG CYS A 349 0.465 28.653 6.928 1.00 0.00 S ATOM 0 H CYS A 349 1.969 31.489 6.701 1.00 0.00 H new ATOM 0 HA CYS A 349 -0.564 31.148 8.175 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.128 29.714 8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 349 0.716 29.268 9.235 1.00 0.00 H new ATOM 0 HG CYS A 349 0.419 27.416 7.325 1.00 0.00 H new ATOM 690 N LEU A 350 1.212 33.258 9.249 1.00 0.00 N ATOM 691 CA LEU A 350 1.738 34.176 10.268 1.00 0.00 C ATOM 692 C LEU A 350 0.785 35.378 10.429 1.00 0.00 C ATOM 693 O LEU A 350 -0.143 35.551 9.630 1.00 0.00 O ATOM 694 CB LEU A 350 3.147 34.654 9.829 1.00 0.00 C ATOM 695 CG LEU A 350 4.190 33.523 9.539 1.00 0.00 C ATOM 696 CD1 LEU A 350 5.497 34.111 8.985 1.00 0.00 C ATOM 697 CD2 LEU A 350 4.445 32.634 10.787 1.00 0.00 C ATOM 0 H LEU A 350 1.064 33.708 8.346 1.00 0.00 H new ATOM 0 HA LEU A 350 1.813 33.667 11.229 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.040 35.263 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 350 3.549 35.302 10.608 1.00 0.00 H new ATOM 0 HG LEU A 350 3.765 32.874 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 350 6.205 33.305 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 350 5.291 34.644 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 350 5.923 34.801 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 350 5.175 31.863 10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 350 4.828 33.250 11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 350 3.511 32.165 11.096 1.00 0.00 H new ATOM 709 N LYS A 351 1.020 36.198 11.463 1.00 0.00 N ATOM 710 CA LYS A 351 0.239 37.423 11.722 1.00 0.00 C ATOM 711 C LYS A 351 1.229 38.490 12.261 1.00 0.00 C ATOM 712 O LYS A 351 1.575 38.436 13.437 1.00 0.00 O ATOM 713 CB LYS A 351 -0.939 37.123 12.719 1.00 0.00 C ATOM 714 CG LYS A 351 -2.103 38.163 12.737 1.00 0.00 C ATOM 715 CD LYS A 351 -1.750 39.537 13.366 1.00 0.00 C ATOM 716 CE LYS A 351 -1.334 39.438 14.848 1.00 0.00 C ATOM 717 NZ LYS A 351 -0.900 40.746 15.395 1.00 0.00 N ATOM 0 H LYS A 351 1.758 36.033 12.147 1.00 0.00 H new ATOM 0 HA LYS A 351 -0.232 37.799 10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 351 -1.355 36.146 12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 351 -0.527 37.051 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -2.440 38.326 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -2.943 37.735 13.285 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -0.939 39.992 12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -2.611 40.200 13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -2.172 39.060 15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -0.523 38.717 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -0.630 40.633 16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -0.084 41.096 14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -1.681 41.429 15.324 1.00 0.00 H new ATOM 731 N PRO A 352 1.712 39.476 11.435 1.00 0.00 N ATOM 732 CA PRO A 352 1.288 39.692 10.023 1.00 0.00 C ATOM 733 C PRO A 352 1.896 38.650 9.042 1.00 0.00 C ATOM 734 O PRO A 352 3.045 38.209 9.240 1.00 0.00 O ATOM 735 CB PRO A 352 1.813 41.123 9.734 1.00 0.00 C ATOM 736 CG PRO A 352 3.048 41.244 10.573 1.00 0.00 C ATOM 737 CD PRO A 352 2.747 40.473 11.845 1.00 0.00 C ATOM 0 HA PRO A 352 0.213 39.578 9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 352 2.037 41.258 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 352 1.075 41.879 10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.915 40.830 10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 352 3.275 42.288 10.790 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.640 39.983 12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.376 41.131 12.631 1.00 0.00 H new ATOM 745 N PRO A 353 1.112 38.206 7.991 1.00 0.00 N ATOM 746 CA PRO A 353 1.622 37.292 6.948 1.00 0.00 C ATOM 747 C PRO A 353 2.774 37.935 6.154 1.00 0.00 C ATOM 748 O PRO A 353 2.560 38.927 5.451 1.00 0.00 O ATOM 749 CB PRO A 353 0.384 37.021 6.035 1.00 0.00 C ATOM 750 CG PRO A 353 -0.799 37.407 6.869 1.00 0.00 C ATOM 751 CD PRO A 353 -0.322 38.540 7.754 1.00 0.00 C ATOM 0 HA PRO A 353 2.036 36.375 7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 353 0.431 37.610 5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.333 35.974 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.633 37.723 6.243 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -1.150 36.565 7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.435 39.508 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.884 38.587 8.687 1.00 0.00 H new ATOM 759 N LEU A 354 3.987 37.372 6.292 1.00 0.00 N ATOM 760 CA LEU A 354 5.190 37.894 5.621 1.00 0.00 C ATOM 761 C LEU A 354 5.039 37.795 4.098 1.00 0.00 C ATOM 762 O LEU A 354 4.491 36.824 3.578 1.00 0.00 O ATOM 763 CB LEU A 354 6.471 37.144 6.093 1.00 0.00 C ATOM 764 CG LEU A 354 6.857 37.332 7.595 1.00 0.00 C ATOM 765 CD1 LEU A 354 8.129 36.523 7.951 1.00 0.00 C ATOM 766 CD2 LEU A 354 7.020 38.830 7.964 1.00 0.00 C ATOM 0 H LEU A 354 4.161 36.548 6.868 1.00 0.00 H new ATOM 0 HA LEU A 354 5.298 38.944 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.336 36.079 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 354 7.309 37.474 5.479 1.00 0.00 H new ATOM 0 HG LEU A 354 6.034 36.941 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.373 36.673 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 354 7.949 35.464 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.961 36.862 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 354 7.288 38.918 9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 354 7.805 39.272 7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 354 6.081 39.353 7.784 1.00 0.00 H new ATOM 778 N THR A 355 5.483 38.841 3.405 1.00 0.00 N ATOM 779 CA THR A 355 5.481 38.896 1.932 1.00 0.00 C ATOM 780 C THR A 355 6.884 38.557 1.381 1.00 0.00 C ATOM 781 O THR A 355 7.069 38.424 0.168 1.00 0.00 O ATOM 782 CB THR A 355 5.002 40.307 1.438 1.00 0.00 C ATOM 783 OG1 THR A 355 4.910 40.337 0.005 1.00 0.00 O ATOM 784 CG2 THR A 355 5.925 41.443 1.921 1.00 0.00 C ATOM 0 H THR A 355 5.857 39.682 3.845 1.00 0.00 H new ATOM 0 HA THR A 355 4.781 38.152 1.552 1.00 0.00 H new ATOM 0 HB THR A 355 4.016 40.472 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 355 5.589 39.743 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 355 5.550 42.398 1.553 1.00 0.00 H new ATOM 0 HG22 THR A 355 5.945 41.457 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 355 6.934 41.278 1.542 1.00 0.00 H new ATOM 792 N SER A 356 7.853 38.393 2.302 1.00 0.00 N ATOM 793 CA SER A 356 9.268 38.125 1.991 1.00 0.00 C ATOM 794 C SER A 356 9.941 37.465 3.207 1.00 0.00 C ATOM 795 O SER A 356 9.451 37.592 4.345 1.00 0.00 O ATOM 796 CB SER A 356 10.019 39.436 1.614 1.00 0.00 C ATOM 797 OG SER A 356 9.479 40.037 0.449 1.00 0.00 O ATOM 0 H SER A 356 7.669 38.444 3.304 1.00 0.00 H new ATOM 0 HA SER A 356 9.314 37.453 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.962 40.139 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 356 11.075 39.217 1.454 1.00 0.00 H new ATOM 0 HG SER A 356 9.974 40.858 0.245 1.00 0.00 H new ATOM 803 N VAL A 357 11.042 36.735 2.951 1.00 0.00 N ATOM 804 CA VAL A 357 11.915 36.209 4.010 1.00 0.00 C ATOM 805 C VAL A 357 12.785 37.360 4.592 1.00 0.00 C ATOM 806 O VAL A 357 13.387 38.121 3.826 1.00 0.00 O ATOM 807 CB VAL A 357 12.823 35.019 3.490 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.630 35.399 2.220 1.00 0.00 C ATOM 809 CG2 VAL A 357 13.763 34.495 4.611 1.00 0.00 C ATOM 0 H VAL A 357 11.348 36.495 2.008 1.00 0.00 H new ATOM 0 HA VAL A 357 11.284 35.803 4.801 1.00 0.00 H new ATOM 0 HB VAL A 357 12.147 34.212 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.235 34.549 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 357 12.942 35.671 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 357 14.280 36.245 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 357 14.373 33.679 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 357 14.411 35.303 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 357 13.165 34.135 5.448 1.00 0.00 H new ATOM 819 N PRO A 358 12.804 37.551 5.951 1.00 0.00 N ATOM 820 CA PRO A 358 13.731 38.499 6.610 1.00 0.00 C ATOM 821 C PRO A 358 15.214 38.097 6.386 1.00 0.00 C ATOM 822 O PRO A 358 15.537 36.906 6.463 1.00 0.00 O ATOM 823 CB PRO A 358 13.353 38.412 8.115 1.00 0.00 C ATOM 824 CG PRO A 358 11.979 37.824 8.135 1.00 0.00 C ATOM 825 CD PRO A 358 11.912 36.901 6.939 1.00 0.00 C ATOM 0 HA PRO A 358 13.640 39.509 6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 358 14.058 37.787 8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 358 13.368 39.396 8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 358 11.800 37.278 9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.219 38.603 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 358 12.253 35.896 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.894 36.808 6.560 1.00 0.00 H new ATOM 833 N PRO A 359 16.134 39.079 6.111 1.00 0.00 N ATOM 834 CA PRO A 359 17.586 38.804 5.905 1.00 0.00 C ATOM 835 C PRO A 359 18.305 38.313 7.182 1.00 0.00 C ATOM 836 O PRO A 359 19.463 37.885 7.117 1.00 0.00 O ATOM 837 CB PRO A 359 18.143 40.174 5.426 1.00 0.00 C ATOM 838 CG PRO A 359 17.200 41.180 6.010 1.00 0.00 C ATOM 839 CD PRO A 359 15.838 40.530 5.953 1.00 0.00 C ATOM 0 HA PRO A 359 17.748 37.994 5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 359 19.163 40.334 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 359 18.167 40.236 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 359 17.475 41.428 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 359 17.216 42.110 5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 359 15.186 40.895 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 359 15.335 40.736 5.008 1.00 0.00 H new ATOM 847 N GLU A 360 17.607 38.369 8.334 1.00 0.00 N ATOM 848 CA GLU A 360 18.155 37.931 9.621 1.00 0.00 C ATOM 849 C GLU A 360 18.158 36.377 9.693 1.00 0.00 C ATOM 850 O GLU A 360 17.215 35.737 9.209 1.00 0.00 O ATOM 851 CB GLU A 360 17.324 38.560 10.780 1.00 0.00 C ATOM 852 CG GLU A 360 15.846 38.113 10.825 1.00 0.00 C ATOM 853 CD GLU A 360 14.964 38.984 11.737 1.00 0.00 C ATOM 854 OE1 GLU A 360 14.871 38.703 12.947 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.369 39.972 11.246 1.00 0.00 O ATOM 0 H GLU A 360 16.651 38.719 8.392 1.00 0.00 H new ATOM 0 HA GLU A 360 19.186 38.269 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 360 17.796 38.305 11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 360 17.359 39.646 10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 360 15.439 38.133 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 360 15.798 37.079 11.168 1.00 0.00 H new ATOM 862 N PRO A 361 19.235 35.753 10.261 1.00 0.00 N ATOM 863 CA PRO A 361 19.297 34.282 10.480 1.00 0.00 C ATOM 864 C PRO A 361 18.422 33.854 11.685 1.00 0.00 C ATOM 865 O PRO A 361 17.997 32.695 11.796 1.00 0.00 O ATOM 866 CB PRO A 361 20.807 34.047 10.743 1.00 0.00 C ATOM 867 CG PRO A 361 21.258 35.314 11.410 1.00 0.00 C ATOM 868 CD PRO A 361 20.483 36.424 10.729 1.00 0.00 C ATOM 0 HA PRO A 361 18.913 33.697 9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 361 20.971 33.179 11.381 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.351 33.868 9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 361 21.052 35.290 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 361 22.332 35.457 11.296 1.00 0.00 H new ATOM 0 HD2 PRO A 361 20.264 37.240 11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 361 21.043 36.851 9.897 1.00 0.00 H new ATOM 876 N GLU A 362 18.161 34.831 12.569 1.00 0.00 N ATOM 877 CA GLU A 362 17.364 34.662 13.786 1.00 0.00 C ATOM 878 C GLU A 362 15.871 34.815 13.448 1.00 0.00 C ATOM 879 O GLU A 362 15.228 35.822 13.779 1.00 0.00 O ATOM 880 CB GLU A 362 17.855 35.694 14.853 1.00 0.00 C ATOM 881 CG GLU A 362 17.951 37.153 14.348 1.00 0.00 C ATOM 882 CD GLU A 362 18.624 38.103 15.344 1.00 0.00 C ATOM 883 OE1 GLU A 362 17.917 38.841 16.067 1.00 0.00 O ATOM 884 OE2 GLU A 362 19.870 38.124 15.394 1.00 0.00 O ATOM 0 H GLU A 362 18.509 35.782 12.450 1.00 0.00 H new ATOM 0 HA GLU A 362 17.492 33.664 14.206 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.177 35.664 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 362 18.836 35.384 15.214 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.507 37.169 13.411 1.00 0.00 H new ATOM 0 HG3 GLU A 362 16.948 37.520 14.129 1.00 0.00 H new ATOM 891 N TRP A 363 15.320 33.803 12.752 1.00 0.00 N ATOM 892 CA TRP A 363 13.920 33.827 12.320 1.00 0.00 C ATOM 893 C TRP A 363 13.043 33.341 13.473 1.00 0.00 C ATOM 894 O TRP A 363 12.964 32.139 13.752 1.00 0.00 O ATOM 895 CB TRP A 363 13.693 32.974 11.041 1.00 0.00 C ATOM 896 CG TRP A 363 12.411 33.321 10.314 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.264 34.295 9.373 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.112 32.729 10.476 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.969 34.340 8.941 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.244 33.396 9.602 1.00 0.00 C ATOM 901 CE3 TRP A 363 10.598 31.705 11.263 1.00 0.00 C ATOM 902 CZ2 TRP A 363 8.901 33.065 9.485 1.00 0.00 C ATOM 903 CZ3 TRP A 363 9.257 31.380 11.160 1.00 0.00 C ATOM 904 CH2 TRP A 363 8.419 32.062 10.276 1.00 0.00 C ATOM 0 H TRP A 363 15.827 32.961 12.479 1.00 0.00 H new ATOM 0 HA TRP A 363 13.648 34.849 12.058 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.536 33.113 10.364 1.00 0.00 H new ATOM 0 HB3 TRP A 363 13.674 31.919 11.314 1.00 0.00 H new ATOM 0 HD1 TRP A 363 13.056 34.938 9.020 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.603 34.979 8.235 1.00 0.00 H new ATOM 0 HE3 TRP A 363 11.239 31.169 11.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.258 33.584 8.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 8.853 30.587 11.772 1.00 0.00 H new ATOM 0 HH2 TRP A 363 7.375 31.792 10.217 1.00 0.00 H new ATOM 915 N TYR A 364 12.449 34.292 14.189 1.00 0.00 N ATOM 916 CA TYR A 364 11.427 34.022 15.194 1.00 0.00 C ATOM 917 C TYR A 364 10.076 34.443 14.616 1.00 0.00 C ATOM 918 O TYR A 364 9.902 35.605 14.229 1.00 0.00 O ATOM 919 CB TYR A 364 11.737 34.774 16.516 1.00 0.00 C ATOM 920 CG TYR A 364 13.061 34.339 17.173 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.269 34.964 16.853 1.00 0.00 C ATOM 922 CD2 TYR A 364 13.102 33.300 18.104 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.455 34.570 17.437 1.00 0.00 C ATOM 924 CE2 TYR A 364 14.292 32.905 18.690 1.00 0.00 C ATOM 925 CZ TYR A 364 15.465 33.547 18.352 1.00 0.00 C ATOM 926 OH TYR A 364 16.655 33.166 18.938 1.00 0.00 O ATOM 0 H TYR A 364 12.667 35.283 14.086 1.00 0.00 H new ATOM 0 HA TYR A 364 11.408 32.959 15.436 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.774 35.845 16.316 1.00 0.00 H new ATOM 0 HB3 TYR A 364 10.920 34.609 17.219 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.274 35.771 16.135 1.00 0.00 H new ATOM 0 HD2 TYR A 364 12.186 32.794 18.373 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.377 35.067 17.174 1.00 0.00 H new ATOM 0 HE2 TYR A 364 14.302 32.098 19.408 1.00 0.00 H new ATOM 0 HH TYR A 364 16.754 32.193 18.875 1.00 0.00 H new ATOM 936 N CYS A 365 9.143 33.472 14.526 1.00 0.00 N ATOM 937 CA CYS A 365 7.760 33.707 14.053 1.00 0.00 C ATOM 938 C CYS A 365 7.075 34.789 14.930 1.00 0.00 C ATOM 939 O CYS A 365 7.473 34.939 16.088 1.00 0.00 O ATOM 940 CB CYS A 365 6.949 32.382 14.095 1.00 0.00 C ATOM 941 SG CYS A 365 6.540 31.777 15.765 1.00 0.00 S ATOM 0 H CYS A 365 9.327 32.501 14.779 1.00 0.00 H new ATOM 0 HA CYS A 365 7.793 34.062 13.023 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.022 32.524 13.540 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.517 31.610 13.575 1.00 0.00 H new ATOM 0 HG CYS A 365 7.087 30.612 15.951 1.00 0.00 H new ATOM 946 N PRO A 366 6.089 35.582 14.368 1.00 0.00 N ATOM 947 CA PRO A 366 5.298 36.613 15.094 1.00 0.00 C ATOM 948 C PRO A 366 5.068 36.325 16.588 1.00 0.00 C ATOM 949 O PRO A 366 5.423 37.128 17.423 1.00 0.00 O ATOM 950 CB PRO A 366 3.973 36.587 14.315 1.00 0.00 C ATOM 951 CG PRO A 366 4.398 36.387 12.893 1.00 0.00 C ATOM 952 CD PRO A 366 5.694 35.585 12.930 1.00 0.00 C ATOM 0 HA PRO A 366 5.812 37.574 15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.324 35.780 14.656 1.00 0.00 H new ATOM 0 HB3 PRO A 366 3.418 37.517 14.439 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.630 35.855 12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 366 4.550 37.345 12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.545 34.572 12.557 1.00 0.00 H new ATOM 0 HD3 PRO A 366 6.463 36.044 12.308 1.00 0.00 H new ATOM 960 N SER A 367 4.548 35.130 16.888 1.00 0.00 N ATOM 961 CA SER A 367 4.185 34.700 18.257 1.00 0.00 C ATOM 962 C SER A 367 5.370 34.715 19.260 1.00 0.00 C ATOM 963 O SER A 367 5.182 34.890 20.468 1.00 0.00 O ATOM 964 CB SER A 367 3.589 33.294 18.157 1.00 0.00 C ATOM 965 OG SER A 367 2.531 33.262 17.210 1.00 0.00 O ATOM 0 H SER A 367 4.362 34.418 16.181 1.00 0.00 H new ATOM 0 HA SER A 367 3.467 35.417 18.656 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.364 32.585 17.867 1.00 0.00 H new ATOM 0 HB3 SER A 367 3.219 32.980 19.133 1.00 0.00 H new ATOM 0 HG SER A 367 2.165 32.355 17.159 1.00 0.00 H new ATOM 971 N CYS A 368 6.583 34.488 18.745 1.00 0.00 N ATOM 972 CA CYS A 368 7.825 34.519 19.542 1.00 0.00 C ATOM 973 C CYS A 368 8.288 35.964 19.804 1.00 0.00 C ATOM 974 O CYS A 368 8.719 36.286 20.919 1.00 0.00 O ATOM 975 CB CYS A 368 8.916 33.699 18.835 1.00 0.00 C ATOM 976 SG CYS A 368 8.655 31.907 18.970 1.00 0.00 S ATOM 0 H CYS A 368 6.737 34.276 17.759 1.00 0.00 H new ATOM 0 HA CYS A 368 7.627 34.069 20.515 1.00 0.00 H new ATOM 0 HB2 CYS A 368 8.947 33.978 17.782 1.00 0.00 H new ATOM 0 HB3 CYS A 368 9.887 33.952 19.261 1.00 0.00 H new ATOM 0 HG CYS A 368 9.101 31.322 17.899 1.00 0.00 H new