USER MOD reduce.3.24.130724 H: found=0, std=0, add=341, rem=0, adj=15 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 355 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 356 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 338 CYS SG : rot -92:sc= -0.125! USER MOD Set 2.2: A 341 CYS SG : rot 63:sc= 1.23 USER MOD Set 2.3: A 365 CYS SG : rot -31:sc= -0.78 USER MOD Set 2.4: A 368 CYS SG : rot -117:sc= 0.0159 USER MOD Set 3.1: A 323 CYS SG : rot -163:sc= 0.363 USER MOD Set 3.2: A 326 CYS SG : rot -63:sc= 0.135 USER MOD Set 3.3: A 346 HIS : no HD1:sc= 0.894 K(o=-0.88,f=-6!) USER MOD Set 3.4: A 349 CYS SG : rot 172:sc= -2.28! USER MOD Single : A 324 HIS : no HE2:sc= -1.12! C(o=-1.1!,f=-5.2!) USER MOD Single : A 334 LYS NZ :NH3+ -165:sc= 0.773 (180deg=0.658) USER MOD Single : A 335 GLN : amide:sc= -0.711 K(o=-0.71,f=-2.5!) USER MOD Single : A 343 MET CE :methyl 166:sc= -0.127 (180deg=-0.475) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 285 N ALA A 322 5.088 18.607 9.389 1.00 0.00 N ATOM 286 CA ALA A 322 5.244 19.742 8.446 1.00 0.00 C ATOM 287 C ALA A 322 4.963 21.122 9.117 1.00 0.00 C ATOM 288 O ALA A 322 5.179 21.297 10.320 1.00 0.00 O ATOM 289 CB ALA A 322 4.301 19.496 7.254 1.00 0.00 C ATOM 0 HA ALA A 322 6.280 19.788 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 322 4.393 20.316 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 322 4.569 18.559 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 322 3.272 19.439 7.610 1.00 0.00 H new ATOM 295 N CYS A 323 4.547 22.120 8.310 1.00 0.00 N ATOM 296 CA CYS A 323 4.053 23.416 8.818 1.00 0.00 C ATOM 297 C CYS A 323 2.657 23.230 9.445 1.00 0.00 C ATOM 298 O CYS A 323 1.648 23.215 8.729 1.00 0.00 O ATOM 299 CB CYS A 323 4.020 24.457 7.671 1.00 0.00 C ATOM 300 SG CYS A 323 3.279 26.062 8.107 1.00 0.00 S ATOM 0 H CYS A 323 4.544 22.051 7.292 1.00 0.00 H new ATOM 0 HA CYS A 323 4.728 23.787 9.589 1.00 0.00 H new ATOM 0 HB2 CYS A 323 5.040 24.627 7.326 1.00 0.00 H new ATOM 0 HB3 CYS A 323 3.466 24.034 6.833 1.00 0.00 H new ATOM 0 HG CYS A 323 2.978 26.710 7.021 1.00 0.00 H new ATOM 305 N HIS A 324 2.616 23.100 10.791 1.00 0.00 N ATOM 306 CA HIS A 324 1.421 22.630 11.539 1.00 0.00 C ATOM 307 C HIS A 324 0.280 23.656 11.548 1.00 0.00 C ATOM 308 O HIS A 324 -0.865 23.297 11.826 1.00 0.00 O ATOM 309 CB HIS A 324 1.807 22.266 13.001 1.00 0.00 C ATOM 310 CG HIS A 324 2.880 21.225 13.118 1.00 0.00 C ATOM 311 ND1 HIS A 324 3.789 21.175 14.150 1.00 0.00 N ATOM 312 CD2 HIS A 324 3.185 20.181 12.308 1.00 0.00 C ATOM 313 CE1 HIS A 324 4.601 20.137 13.930 1.00 0.00 C ATOM 314 NE2 HIS A 324 4.274 19.503 12.829 1.00 0.00 N ATOM 0 H HIS A 324 3.411 23.318 11.392 1.00 0.00 H new ATOM 0 HA HIS A 324 1.057 21.745 11.017 1.00 0.00 H new ATOM 0 HB2 HIS A 324 2.138 23.170 13.512 1.00 0.00 H new ATOM 0 HB3 HIS A 324 0.917 21.913 13.522 1.00 0.00 H new ATOM 0 HD1 HIS A 324 3.835 21.816 14.942 1.00 0.00 H new ATOM 0 HD2 HIS A 324 2.661 19.920 11.400 1.00 0.00 H new ATOM 0 HE1 HIS A 324 5.420 19.856 14.575 1.00 0.00 H new ATOM 322 N VAL A 325 0.599 24.922 11.216 1.00 0.00 N ATOM 323 CA VAL A 325 -0.381 26.030 11.224 1.00 0.00 C ATOM 324 C VAL A 325 -1.472 25.809 10.148 1.00 0.00 C ATOM 325 O VAL A 325 -2.619 26.239 10.295 1.00 0.00 O ATOM 326 CB VAL A 325 0.334 27.418 10.997 1.00 0.00 C ATOM 327 CG1 VAL A 325 -0.634 28.616 11.187 1.00 0.00 C ATOM 328 CG2 VAL A 325 1.569 27.551 11.914 1.00 0.00 C ATOM 0 H VAL A 325 1.538 25.206 10.936 1.00 0.00 H new ATOM 0 HA VAL A 325 -0.858 26.044 12.204 1.00 0.00 H new ATOM 0 HB VAL A 325 0.668 27.444 9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 325 -0.095 29.549 11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 325 -1.454 28.538 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 325 -1.033 28.604 12.201 1.00 0.00 H new ATOM 0 HG21 VAL A 325 2.048 28.515 11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 325 1.258 27.481 12.956 1.00 0.00 H new ATOM 0 HG23 VAL A 325 2.275 26.751 11.692 1.00 0.00 H new ATOM 338 N CYS A 326 -1.085 25.121 9.070 1.00 0.00 N ATOM 339 CA CYS A 326 -1.996 24.733 7.974 1.00 0.00 C ATOM 340 C CYS A 326 -1.933 23.206 7.737 1.00 0.00 C ATOM 341 O CYS A 326 -2.642 22.680 6.870 1.00 0.00 O ATOM 342 CB CYS A 326 -1.608 25.507 6.699 1.00 0.00 C ATOM 343 SG CYS A 326 0.100 25.203 6.140 1.00 0.00 S ATOM 0 H CYS A 326 -0.124 24.812 8.926 1.00 0.00 H new ATOM 0 HA CYS A 326 -3.022 24.984 8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -2.296 25.236 5.898 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -1.736 26.574 6.881 1.00 0.00 H new ATOM 0 HG CYS A 326 0.934 25.615 7.048 1.00 0.00 H new ATOM 348 N GLY A 327 -1.081 22.514 8.534 1.00 0.00 N ATOM 349 CA GLY A 327 -0.839 21.070 8.394 1.00 0.00 C ATOM 350 C GLY A 327 -0.314 20.666 7.019 1.00 0.00 C ATOM 351 O GLY A 327 -0.573 19.549 6.549 1.00 0.00 O ATOM 0 H GLY A 327 -0.547 22.947 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 327 -0.123 20.755 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 327 -1.768 20.534 8.590 1.00 0.00 H new ATOM 355 N GLY A 328 0.446 21.581 6.385 1.00 0.00 N ATOM 356 CA GLY A 328 0.811 21.468 4.971 1.00 0.00 C ATOM 357 C GLY A 328 2.317 21.400 4.725 1.00 0.00 C ATOM 358 O GLY A 328 3.104 22.024 5.449 1.00 0.00 O ATOM 0 H GLY A 328 0.819 22.413 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 328 0.344 20.575 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 328 0.403 22.322 4.431 1.00 0.00 H new ATOM 362 N ARG A 329 2.694 20.651 3.669 1.00 0.00 N ATOM 363 CA ARG A 329 4.099 20.445 3.232 1.00 0.00 C ATOM 364 C ARG A 329 4.434 21.337 2.021 1.00 0.00 C ATOM 365 O ARG A 329 5.591 21.398 1.584 1.00 0.00 O ATOM 366 CB ARG A 329 4.311 18.955 2.845 1.00 0.00 C ATOM 367 CG ARG A 329 4.232 17.969 4.024 1.00 0.00 C ATOM 368 CD ARG A 329 4.376 16.499 3.593 1.00 0.00 C ATOM 369 NE ARG A 329 5.521 16.277 2.675 1.00 0.00 N ATOM 370 CZ ARG A 329 6.808 16.078 3.033 1.00 0.00 C ATOM 371 NH1 ARG A 329 7.181 16.120 4.305 1.00 0.00 N ATOM 372 NH2 ARG A 329 7.717 15.854 2.098 1.00 0.00 N ATOM 0 H ARG A 329 2.020 20.160 3.081 1.00 0.00 H new ATOM 0 HA ARG A 329 4.758 20.714 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 329 3.562 18.676 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 329 5.285 18.852 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 329 5.015 18.209 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 329 3.278 18.100 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 329 4.501 15.876 4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 329 3.457 16.177 3.104 1.00 0.00 H new ATOM 0 HE ARG A 329 5.316 16.274 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 329 6.491 16.305 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 329 8.158 15.967 4.555 1.00 0.00 H new ATOM 0 HH21 ARG A 329 7.444 15.833 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 329 8.691 15.703 2.360 1.00 0.00 H new ATOM 386 N GLU A 330 3.404 22.022 1.502 1.00 0.00 N ATOM 387 CA GLU A 330 3.495 22.861 0.289 1.00 0.00 C ATOM 388 C GLU A 330 4.422 24.065 0.503 1.00 0.00 C ATOM 389 O GLU A 330 4.619 24.496 1.640 1.00 0.00 O ATOM 390 CB GLU A 330 2.073 23.321 -0.131 1.00 0.00 C ATOM 391 CG GLU A 330 1.260 24.027 0.977 1.00 0.00 C ATOM 392 CD GLU A 330 -0.195 24.313 0.558 1.00 0.00 C ATOM 393 OE1 GLU A 330 -0.443 25.336 -0.123 1.00 0.00 O ATOM 394 OE2 GLU A 330 -1.090 23.507 0.897 1.00 0.00 O ATOM 0 H GLU A 330 2.471 22.011 1.915 1.00 0.00 H new ATOM 0 HA GLU A 330 3.929 22.264 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 330 2.163 23.997 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 330 1.513 22.451 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 330 1.260 23.406 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 330 1.749 24.965 1.239 1.00 0.00 H new ATOM 401 N ALA A 331 5.010 24.552 -0.610 1.00 0.00 N ATOM 402 CA ALA A 331 5.921 25.720 -0.641 1.00 0.00 C ATOM 403 C ALA A 331 7.028 25.670 0.457 1.00 0.00 C ATOM 404 O ALA A 331 7.008 26.483 1.391 1.00 0.00 O ATOM 405 CB ALA A 331 5.107 27.031 -0.586 1.00 0.00 C ATOM 0 H ALA A 331 4.863 24.138 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 331 6.460 25.684 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 331 5.787 27.883 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 331 4.436 27.079 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 331 4.523 27.058 0.334 1.00 0.00 H new ATOM 411 N PRO A 332 7.985 24.681 0.387 1.00 0.00 N ATOM 412 CA PRO A 332 9.100 24.571 1.371 1.00 0.00 C ATOM 413 C PRO A 332 10.112 25.734 1.260 1.00 0.00 C ATOM 414 O PRO A 332 10.837 26.025 2.215 1.00 0.00 O ATOM 415 CB PRO A 332 9.737 23.196 1.041 1.00 0.00 C ATOM 416 CG PRO A 332 9.413 22.971 -0.402 1.00 0.00 C ATOM 417 CD PRO A 332 8.044 23.575 -0.614 1.00 0.00 C ATOM 0 HA PRO A 332 8.753 24.637 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 332 10.814 23.207 1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 332 9.324 22.406 1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 332 10.153 23.443 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 332 9.413 21.908 -0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 332 7.925 23.949 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 332 7.254 22.843 -0.449 1.00 0.00 H new ATOM 425 N GLU A 333 10.139 26.396 0.083 1.00 0.00 N ATOM 426 CA GLU A 333 10.923 27.631 -0.141 1.00 0.00 C ATOM 427 C GLU A 333 10.343 28.805 0.684 1.00 0.00 C ATOM 428 O GLU A 333 11.047 29.778 0.977 1.00 0.00 O ATOM 429 CB GLU A 333 10.949 27.997 -1.654 1.00 0.00 C ATOM 430 CG GLU A 333 9.559 28.282 -2.265 1.00 0.00 C ATOM 431 CD GLU A 333 9.596 28.721 -3.743 1.00 0.00 C ATOM 432 OE1 GLU A 333 9.360 27.880 -4.638 1.00 0.00 O ATOM 433 OE2 GLU A 333 9.847 29.921 -4.010 1.00 0.00 O ATOM 0 H GLU A 333 9.618 26.090 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 333 11.945 27.448 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 333 11.580 28.875 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 333 11.414 27.180 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 333 8.946 27.385 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 333 9.069 29.060 -1.679 1.00 0.00 H new ATOM 440 N LYS A 334 9.040 28.699 1.038 1.00 0.00 N ATOM 441 CA LYS A 334 8.321 29.715 1.827 1.00 0.00 C ATOM 442 C LYS A 334 8.025 29.201 3.256 1.00 0.00 C ATOM 443 O LYS A 334 7.282 29.841 4.001 1.00 0.00 O ATOM 444 CB LYS A 334 6.996 30.119 1.105 1.00 0.00 C ATOM 445 CG LYS A 334 7.168 30.444 -0.396 1.00 0.00 C ATOM 446 CD LYS A 334 5.864 30.916 -1.083 1.00 0.00 C ATOM 447 CE LYS A 334 5.479 32.354 -0.700 1.00 0.00 C ATOM 448 NZ LYS A 334 6.452 33.356 -1.201 1.00 0.00 N ATOM 0 H LYS A 334 8.460 27.901 0.781 1.00 0.00 H new ATOM 0 HA LYS A 334 8.958 30.596 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 334 6.276 29.307 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 334 6.572 30.988 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 334 7.927 31.218 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 334 7.539 29.558 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 334 5.984 30.852 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 334 5.051 30.242 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 334 4.491 32.581 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 334 5.409 32.431 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.298 34.262 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 7.420 33.023 -1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 6.321 33.485 -2.225 1.00 0.00 H new ATOM 462 N GLN A 335 8.593 28.034 3.621 1.00 0.00 N ATOM 463 CA GLN A 335 8.536 27.499 4.997 1.00 0.00 C ATOM 464 C GLN A 335 9.838 27.852 5.740 1.00 0.00 C ATOM 465 O GLN A 335 10.933 27.667 5.210 1.00 0.00 O ATOM 466 CB GLN A 335 8.283 25.961 4.998 1.00 0.00 C ATOM 467 CG GLN A 335 6.827 25.557 4.656 1.00 0.00 C ATOM 468 CD GLN A 335 6.608 24.038 4.649 1.00 0.00 C ATOM 469 OE1 GLN A 335 6.315 23.437 5.684 1.00 0.00 O ATOM 470 NE2 GLN A 335 6.696 23.419 3.481 1.00 0.00 N ATOM 0 H GLN A 335 9.104 27.436 2.971 1.00 0.00 H new ATOM 0 HA GLN A 335 7.697 27.959 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 335 8.956 25.493 4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 335 8.538 25.563 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 335 6.151 26.012 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 335 6.565 25.960 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 335 6.941 23.945 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 335 6.519 22.416 3.421 1.00 0.00 H new ATOM 479 N LEU A 336 9.684 28.362 6.969 1.00 0.00 N ATOM 480 CA LEU A 336 10.775 28.856 7.825 1.00 0.00 C ATOM 481 C LEU A 336 10.634 28.252 9.233 1.00 0.00 C ATOM 482 O LEU A 336 9.582 28.370 9.868 1.00 0.00 O ATOM 483 CB LEU A 336 10.725 30.414 7.900 1.00 0.00 C ATOM 484 CG LEU A 336 11.206 31.186 6.632 1.00 0.00 C ATOM 485 CD1 LEU A 336 10.913 32.697 6.745 1.00 0.00 C ATOM 486 CD2 LEU A 336 12.710 30.947 6.385 1.00 0.00 C ATOM 0 H LEU A 336 8.768 28.446 7.411 1.00 0.00 H new ATOM 0 HA LEU A 336 11.734 28.556 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 336 9.699 30.713 8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 336 11.333 30.735 8.746 1.00 0.00 H new ATOM 0 HG LEU A 336 10.646 30.799 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 336 11.261 33.203 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 336 9.840 32.852 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 336 11.431 33.104 7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 336 13.024 31.494 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 336 13.280 31.295 7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 336 12.890 29.882 6.238 1.00 0.00 H new ATOM 498 N LEU A 337 11.712 27.632 9.717 1.00 0.00 N ATOM 499 CA LEU A 337 11.766 26.987 11.039 1.00 0.00 C ATOM 500 C LEU A 337 12.214 28.001 12.105 1.00 0.00 C ATOM 501 O LEU A 337 13.333 28.520 12.034 1.00 0.00 O ATOM 502 CB LEU A 337 12.742 25.767 10.982 1.00 0.00 C ATOM 503 CG LEU A 337 12.171 24.484 10.281 1.00 0.00 C ATOM 504 CD1 LEU A 337 13.291 23.575 9.731 1.00 0.00 C ATOM 505 CD2 LEU A 337 11.255 23.687 11.249 1.00 0.00 C ATOM 0 H LEU A 337 12.587 27.560 9.197 1.00 0.00 H new ATOM 0 HA LEU A 337 10.773 26.629 11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 337 13.649 26.072 10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 337 13.032 25.506 12.000 1.00 0.00 H new ATOM 0 HG LEU A 337 11.577 24.823 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 337 12.849 22.700 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 337 13.881 24.127 8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 337 13.935 23.255 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 337 10.871 22.802 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 337 11.828 23.383 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 337 10.422 24.316 11.562 1.00 0.00 H new ATOM 517 N CYS A 338 11.313 28.314 13.058 1.00 0.00 N ATOM 518 CA CYS A 338 11.671 29.096 14.259 1.00 0.00 C ATOM 519 C CYS A 338 12.563 28.235 15.151 1.00 0.00 C ATOM 520 O CYS A 338 12.168 27.123 15.497 1.00 0.00 O ATOM 521 CB CYS A 338 10.422 29.540 15.043 1.00 0.00 C ATOM 522 SG CYS A 338 10.818 30.611 16.459 1.00 0.00 S ATOM 0 H CYS A 338 10.332 28.037 13.019 1.00 0.00 H new ATOM 0 HA CYS A 338 12.197 29.998 13.945 1.00 0.00 H new ATOM 0 HB2 CYS A 338 9.747 30.070 14.371 1.00 0.00 H new ATOM 0 HB3 CYS A 338 9.890 28.658 15.399 1.00 0.00 H new ATOM 0 HG CYS A 338 10.976 29.882 17.524 1.00 0.00 H new ATOM 527 N ASP A 339 13.744 28.765 15.513 1.00 0.00 N ATOM 528 CA ASP A 339 14.827 27.982 16.154 1.00 0.00 C ATOM 529 C ASP A 339 14.374 27.276 17.452 1.00 0.00 C ATOM 530 O ASP A 339 14.293 26.045 17.488 1.00 0.00 O ATOM 531 CB ASP A 339 16.055 28.888 16.440 1.00 0.00 C ATOM 532 CG ASP A 339 17.268 28.110 17.006 1.00 0.00 C ATOM 533 OD1 ASP A 339 17.501 28.138 18.235 1.00 0.00 O ATOM 534 OD2 ASP A 339 17.987 27.454 16.216 1.00 0.00 O ATOM 0 H ASP A 339 13.980 29.747 15.372 1.00 0.00 H new ATOM 0 HA ASP A 339 15.105 27.200 15.448 1.00 0.00 H new ATOM 0 HB2 ASP A 339 16.351 29.389 15.519 1.00 0.00 H new ATOM 0 HB3 ASP A 339 15.768 29.666 17.148 1.00 0.00 H new ATOM 539 N GLU A 340 14.046 28.058 18.499 1.00 0.00 N ATOM 540 CA GLU A 340 13.811 27.511 19.855 1.00 0.00 C ATOM 541 C GLU A 340 12.470 26.731 19.937 1.00 0.00 C ATOM 542 O GLU A 340 12.313 25.829 20.765 1.00 0.00 O ATOM 543 CB GLU A 340 13.891 28.663 20.913 1.00 0.00 C ATOM 544 CG GLU A 340 12.592 29.451 21.194 1.00 0.00 C ATOM 545 CD GLU A 340 12.242 30.460 20.100 1.00 0.00 C ATOM 546 OE1 GLU A 340 12.604 31.640 20.246 1.00 0.00 O ATOM 547 OE2 GLU A 340 11.618 30.074 19.089 1.00 0.00 O ATOM 0 H GLU A 340 13.937 29.070 18.434 1.00 0.00 H new ATOM 0 HA GLU A 340 14.595 26.788 20.080 1.00 0.00 H new ATOM 0 HB2 GLU A 340 14.237 28.235 21.854 1.00 0.00 H new ATOM 0 HB3 GLU A 340 14.652 29.371 20.585 1.00 0.00 H new ATOM 0 HG2 GLU A 340 11.767 28.748 21.306 1.00 0.00 H new ATOM 0 HG3 GLU A 340 12.694 29.977 22.143 1.00 0.00 H new ATOM 554 N CYS A 341 11.513 27.105 19.065 1.00 0.00 N ATOM 555 CA CYS A 341 10.209 26.407 18.939 1.00 0.00 C ATOM 556 C CYS A 341 10.334 25.112 18.092 1.00 0.00 C ATOM 557 O CYS A 341 9.520 24.194 18.243 1.00 0.00 O ATOM 558 CB CYS A 341 9.154 27.353 18.312 1.00 0.00 C ATOM 559 SG CYS A 341 8.829 28.875 19.264 1.00 0.00 S ATOM 0 H CYS A 341 11.617 27.895 18.429 1.00 0.00 H new ATOM 0 HA CYS A 341 9.887 26.122 19.941 1.00 0.00 H new ATOM 0 HB2 CYS A 341 9.485 27.631 17.311 1.00 0.00 H new ATOM 0 HB3 CYS A 341 8.218 26.806 18.198 1.00 0.00 H new ATOM 0 HG CYS A 341 9.911 29.594 19.316 1.00 0.00 H new ATOM 564 N ASP A 342 11.351 25.080 17.190 1.00 0.00 N ATOM 565 CA ASP A 342 11.603 23.967 16.226 1.00 0.00 C ATOM 566 C ASP A 342 10.370 23.717 15.320 1.00 0.00 C ATOM 567 O ASP A 342 10.052 22.586 14.936 1.00 0.00 O ATOM 568 CB ASP A 342 12.053 22.675 16.989 1.00 0.00 C ATOM 569 CG ASP A 342 12.610 21.558 16.075 1.00 0.00 C ATOM 570 OD1 ASP A 342 12.059 20.433 16.069 1.00 0.00 O ATOM 571 OD2 ASP A 342 13.599 21.810 15.344 1.00 0.00 O ATOM 0 H ASP A 342 12.031 25.836 17.108 1.00 0.00 H new ATOM 0 HA ASP A 342 12.419 24.258 15.565 1.00 0.00 H new ATOM 0 HB2 ASP A 342 12.816 22.945 17.719 1.00 0.00 H new ATOM 0 HB3 ASP A 342 11.203 22.282 17.547 1.00 0.00 H new ATOM 576 N MET A 343 9.694 24.809 14.941 1.00 0.00 N ATOM 577 CA MET A 343 8.376 24.744 14.289 1.00 0.00 C ATOM 578 C MET A 343 8.418 25.459 12.927 1.00 0.00 C ATOM 579 O MET A 343 8.922 26.585 12.840 1.00 0.00 O ATOM 580 CB MET A 343 7.311 25.374 15.231 1.00 0.00 C ATOM 581 CG MET A 343 5.883 24.915 14.959 1.00 0.00 C ATOM 582 SD MET A 343 5.706 23.118 15.106 1.00 0.00 S ATOM 583 CE MET A 343 6.349 22.779 16.755 1.00 0.00 C ATOM 0 H MET A 343 10.041 25.759 15.076 1.00 0.00 H new ATOM 0 HA MET A 343 8.105 23.705 14.103 1.00 0.00 H new ATOM 0 HB2 MET A 343 7.567 25.133 16.263 1.00 0.00 H new ATOM 0 HB3 MET A 343 7.356 26.459 15.137 1.00 0.00 H new ATOM 0 HG2 MET A 343 5.206 25.404 15.659 1.00 0.00 H new ATOM 0 HG3 MET A 343 5.587 25.227 13.958 1.00 0.00 H new ATOM 0 HE1 MET A 343 6.069 21.769 17.054 1.00 0.00 H new ATOM 0 HE2 MET A 343 7.435 22.867 16.747 1.00 0.00 H new ATOM 0 HE3 MET A 343 5.932 23.496 17.462 1.00 0.00 H new ATOM 593 N ALA A 344 7.906 24.789 11.877 1.00 0.00 N ATOM 594 CA ALA A 344 7.863 25.334 10.508 1.00 0.00 C ATOM 595 C ALA A 344 6.613 26.210 10.310 1.00 0.00 C ATOM 596 O ALA A 344 5.487 25.806 10.642 1.00 0.00 O ATOM 597 CB ALA A 344 7.914 24.194 9.471 1.00 0.00 C ATOM 0 H ALA A 344 7.510 23.852 11.955 1.00 0.00 H new ATOM 0 HA ALA A 344 8.739 25.965 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 344 7.881 24.615 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 344 8.837 23.628 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 344 7.060 23.532 9.615 1.00 0.00 H new ATOM 603 N PHE A 345 6.834 27.417 9.786 1.00 0.00 N ATOM 604 CA PHE A 345 5.786 28.404 9.500 1.00 0.00 C ATOM 605 C PHE A 345 5.969 28.916 8.070 1.00 0.00 C ATOM 606 O PHE A 345 7.080 29.276 7.693 1.00 0.00 O ATOM 607 CB PHE A 345 5.882 29.627 10.457 1.00 0.00 C ATOM 608 CG PHE A 345 5.713 29.324 11.941 1.00 0.00 C ATOM 609 CD1 PHE A 345 4.459 29.394 12.548 1.00 0.00 C ATOM 610 CD2 PHE A 345 6.803 28.976 12.732 1.00 0.00 C ATOM 611 CE1 PHE A 345 4.302 29.119 13.895 1.00 0.00 C ATOM 612 CE2 PHE A 345 6.644 28.704 14.076 1.00 0.00 C ATOM 613 CZ PHE A 345 5.393 28.774 14.656 1.00 0.00 C ATOM 0 H PHE A 345 7.768 27.745 9.542 1.00 0.00 H new ATOM 0 HA PHE A 345 4.819 27.920 9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 345 6.852 30.103 10.311 1.00 0.00 H new ATOM 0 HB3 PHE A 345 5.123 30.353 10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 345 3.597 29.667 11.957 1.00 0.00 H new ATOM 0 HD2 PHE A 345 7.786 28.918 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 345 3.323 29.175 14.348 1.00 0.00 H new ATOM 0 HE2 PHE A 345 7.501 28.436 14.676 1.00 0.00 H new ATOM 0 HZ PHE A 345 5.272 28.558 15.707 1.00 0.00 H new ATOM 623 N HIS A 346 4.885 28.958 7.283 1.00 0.00 N ATOM 624 CA HIS A 346 4.865 29.756 6.040 1.00 0.00 C ATOM 625 C HIS A 346 4.990 31.246 6.379 1.00 0.00 C ATOM 626 O HIS A 346 4.676 31.655 7.506 1.00 0.00 O ATOM 627 CB HIS A 346 3.563 29.522 5.228 1.00 0.00 C ATOM 628 CG HIS A 346 3.555 28.254 4.431 1.00 0.00 C ATOM 629 ND1 HIS A 346 2.752 27.186 4.757 1.00 0.00 N ATOM 630 CD2 HIS A 346 4.234 27.966 3.296 1.00 0.00 C ATOM 631 CE1 HIS A 346 2.968 26.282 3.819 1.00 0.00 C ATOM 632 NE2 HIS A 346 3.855 26.716 2.917 1.00 0.00 N ATOM 0 H HIS A 346 4.018 28.457 7.478 1.00 0.00 H new ATOM 0 HA HIS A 346 5.709 29.437 5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 346 2.717 29.511 5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 346 3.414 30.364 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 346 4.941 28.606 2.789 1.00 0.00 H new ATOM 0 HE1 HIS A 346 2.489 25.315 3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 346 4.185 26.205 2.098 1.00 0.00 H new ATOM 640 N LEU A 347 5.421 32.048 5.397 1.00 0.00 N ATOM 641 CA LEU A 347 5.379 33.514 5.513 1.00 0.00 C ATOM 642 C LEU A 347 3.931 33.997 5.742 1.00 0.00 C ATOM 643 O LEU A 347 3.695 34.915 6.519 1.00 0.00 O ATOM 644 CB LEU A 347 6.008 34.206 4.269 1.00 0.00 C ATOM 645 CG LEU A 347 7.568 34.227 4.196 1.00 0.00 C ATOM 646 CD1 LEU A 347 8.196 34.744 5.502 1.00 0.00 C ATOM 647 CD2 LEU A 347 8.167 32.871 3.790 1.00 0.00 C ATOM 0 H LEU A 347 5.802 31.708 4.514 1.00 0.00 H new ATOM 0 HA LEU A 347 5.978 33.797 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 347 5.632 33.708 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 347 5.651 35.235 4.235 1.00 0.00 H new ATOM 0 HG LEU A 347 7.821 34.930 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 347 9.282 34.743 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 347 7.850 35.759 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 347 7.902 34.097 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 347 9.254 32.949 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 347 7.880 32.113 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 347 7.793 32.588 2.806 1.00 0.00 H new ATOM 659 N TYR A 348 2.968 33.326 5.090 1.00 0.00 N ATOM 660 CA TYR A 348 1.531 33.626 5.255 1.00 0.00 C ATOM 661 C TYR A 348 0.956 32.985 6.549 1.00 0.00 C ATOM 662 O TYR A 348 -0.150 33.322 6.978 1.00 0.00 O ATOM 663 CB TYR A 348 0.736 33.162 4.017 1.00 0.00 C ATOM 664 CG TYR A 348 1.282 33.696 2.684 1.00 0.00 C ATOM 665 CD1 TYR A 348 1.161 35.045 2.325 1.00 0.00 C ATOM 666 CD2 TYR A 348 1.927 32.849 1.792 1.00 0.00 C ATOM 667 CE1 TYR A 348 1.662 35.512 1.123 1.00 0.00 C ATOM 668 CE2 TYR A 348 2.424 33.311 0.596 1.00 0.00 C ATOM 669 CZ TYR A 348 2.293 34.638 0.262 1.00 0.00 C ATOM 670 OH TYR A 348 2.800 35.094 -0.936 1.00 0.00 O ATOM 0 H TYR A 348 3.158 32.565 4.438 1.00 0.00 H new ATOM 0 HA TYR A 348 1.428 34.707 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 348 0.735 32.072 3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 348 -0.301 33.479 4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 348 0.669 35.732 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 348 2.041 31.805 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 348 1.560 36.555 0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 348 2.918 32.630 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 348 3.213 34.349 -1.421 1.00 0.00 H new ATOM 680 N CYS A 349 1.726 32.066 7.165 1.00 0.00 N ATOM 681 CA CYS A 349 1.381 31.442 8.470 1.00 0.00 C ATOM 682 C CYS A 349 2.064 32.199 9.635 1.00 0.00 C ATOM 683 O CYS A 349 2.338 31.620 10.696 1.00 0.00 O ATOM 684 CB CYS A 349 1.763 29.937 8.463 1.00 0.00 C ATOM 685 SG CYS A 349 0.771 28.917 7.315 1.00 0.00 S ATOM 0 H CYS A 349 2.607 31.731 6.776 1.00 0.00 H new ATOM 0 HA CYS A 349 0.304 31.513 8.622 1.00 0.00 H new ATOM 0 HB2 CYS A 349 2.816 29.842 8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 349 1.651 29.541 9.472 1.00 0.00 H new ATOM 0 HG CYS A 349 1.272 27.719 7.255 1.00 0.00 H new ATOM 690 N LEU A 350 2.317 33.510 9.424 1.00 0.00 N ATOM 691 CA LEU A 350 2.879 34.424 10.444 1.00 0.00 C ATOM 692 C LEU A 350 1.817 35.450 10.897 1.00 0.00 C ATOM 693 O LEU A 350 0.640 35.351 10.526 1.00 0.00 O ATOM 694 CB LEU A 350 4.139 35.147 9.877 1.00 0.00 C ATOM 695 CG LEU A 350 5.314 34.219 9.425 1.00 0.00 C ATOM 696 CD1 LEU A 350 6.526 35.036 8.935 1.00 0.00 C ATOM 697 CD2 LEU A 350 5.723 33.234 10.540 1.00 0.00 C ATOM 0 H LEU A 350 2.135 33.968 8.531 1.00 0.00 H new ATOM 0 HA LEU A 350 3.176 33.839 11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 350 3.833 35.754 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 350 4.514 35.831 10.638 1.00 0.00 H new ATOM 0 HG LEU A 350 4.950 33.630 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 350 7.323 34.358 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 350 6.230 35.653 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 350 6.884 35.676 9.742 1.00 0.00 H new ATOM 0 HD21 LEU A 350 6.542 32.606 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 350 6.045 33.793 11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 350 4.871 32.606 10.802 1.00 0.00 H new ATOM 709 N LYS A 351 2.254 36.432 11.709 1.00 0.00 N ATOM 710 CA LYS A 351 1.385 37.486 12.254 1.00 0.00 C ATOM 711 C LYS A 351 2.199 38.808 12.322 1.00 0.00 C ATOM 712 O LYS A 351 2.929 39.030 13.295 1.00 0.00 O ATOM 713 CB LYS A 351 0.852 37.070 13.666 1.00 0.00 C ATOM 714 CG LYS A 351 -0.351 37.890 14.174 1.00 0.00 C ATOM 715 CD LYS A 351 -1.646 37.623 13.371 1.00 0.00 C ATOM 716 CE LYS A 351 -2.145 36.172 13.516 1.00 0.00 C ATOM 717 NZ LYS A 351 -3.377 35.927 12.728 1.00 0.00 N ATOM 0 H LYS A 351 3.227 36.514 12.005 1.00 0.00 H new ATOM 0 HA LYS A 351 0.518 37.633 11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 351 0.569 36.018 13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.665 37.161 14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 351 -0.526 37.656 15.224 1.00 0.00 H new ATOM 0 HG3 LYS A 351 -0.109 38.951 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 351 -2.425 38.307 13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 351 -1.467 37.838 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 351 -1.364 35.486 13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 351 -2.339 35.958 14.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 -3.679 34.940 12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 -4.131 36.564 13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 -3.186 36.105 11.721 1.00 0.00 H new ATOM 731 N PRO A 352 2.122 39.708 11.281 1.00 0.00 N ATOM 732 CA PRO A 352 1.245 39.559 10.093 1.00 0.00 C ATOM 733 C PRO A 352 1.878 38.677 8.975 1.00 0.00 C ATOM 734 O PRO A 352 3.109 38.518 8.930 1.00 0.00 O ATOM 735 CB PRO A 352 1.074 41.029 9.642 1.00 0.00 C ATOM 736 CG PRO A 352 2.393 41.670 9.954 1.00 0.00 C ATOM 737 CD PRO A 352 2.924 40.963 11.194 1.00 0.00 C ATOM 0 HA PRO A 352 0.308 39.047 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 352 0.842 41.094 8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 352 0.259 41.517 10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 352 3.085 41.564 9.119 1.00 0.00 H new ATOM 0 HG3 PRO A 352 2.274 42.738 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 352 3.989 40.748 11.103 1.00 0.00 H new ATOM 0 HD3 PRO A 352 2.798 41.577 12.086 1.00 0.00 H new ATOM 745 N PRO A 353 1.026 38.036 8.107 1.00 0.00 N ATOM 746 CA PRO A 353 1.488 37.287 6.913 1.00 0.00 C ATOM 747 C PRO A 353 2.439 38.093 5.996 1.00 0.00 C ATOM 748 O PRO A 353 2.030 39.082 5.377 1.00 0.00 O ATOM 749 CB PRO A 353 0.165 36.947 6.178 1.00 0.00 C ATOM 750 CG PRO A 353 -0.837 36.838 7.280 1.00 0.00 C ATOM 751 CD PRO A 353 -0.456 37.924 8.266 1.00 0.00 C ATOM 0 HA PRO A 353 2.081 36.417 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 353 -0.108 37.725 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 353 0.247 36.015 5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 353 -1.851 36.982 6.907 1.00 0.00 H new ATOM 0 HG3 PRO A 353 -0.805 35.853 7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 353 -0.956 38.865 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 353 -0.731 37.655 9.286 1.00 0.00 H new ATOM 759 N LEU A 354 3.713 37.670 5.956 1.00 0.00 N ATOM 760 CA LEU A 354 4.738 38.220 5.041 1.00 0.00 C ATOM 761 C LEU A 354 4.569 37.619 3.625 1.00 0.00 C ATOM 762 O LEU A 354 3.842 36.632 3.447 1.00 0.00 O ATOM 763 CB LEU A 354 6.177 37.916 5.566 1.00 0.00 C ATOM 764 CG LEU A 354 6.529 38.382 7.016 1.00 0.00 C ATOM 765 CD1 LEU A 354 7.999 38.042 7.365 1.00 0.00 C ATOM 766 CD2 LEU A 354 6.263 39.884 7.224 1.00 0.00 C ATOM 0 H LEU A 354 4.068 36.930 6.562 1.00 0.00 H new ATOM 0 HA LEU A 354 4.603 39.301 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 354 6.335 36.839 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 354 6.889 38.378 4.882 1.00 0.00 H new ATOM 0 HG LEU A 354 5.872 37.836 7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 354 8.219 38.376 8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 354 8.149 36.964 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 354 8.665 38.546 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 354 6.522 40.161 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 354 6.870 40.461 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 354 5.208 40.095 7.047 1.00 0.00 H new ATOM 778 N THR A 355 5.261 38.203 2.628 1.00 0.00 N ATOM 779 CA THR A 355 5.229 37.712 1.231 1.00 0.00 C ATOM 780 C THR A 355 6.335 36.654 0.987 1.00 0.00 C ATOM 781 O THR A 355 6.046 35.543 0.526 1.00 0.00 O ATOM 782 CB THR A 355 5.325 38.893 0.194 1.00 0.00 C ATOM 783 OG1 THR A 355 5.343 38.381 -1.153 1.00 0.00 O ATOM 784 CG2 THR A 355 6.552 39.802 0.413 1.00 0.00 C ATOM 0 H THR A 355 5.854 39.022 2.763 1.00 0.00 H new ATOM 0 HA THR A 355 4.264 37.229 1.077 1.00 0.00 H new ATOM 0 HB THR A 355 4.438 39.506 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 355 5.401 39.127 -1.786 1.00 0.00 H new ATOM 0 HG21 THR A 355 6.556 40.594 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 355 6.505 40.244 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 355 7.463 39.211 0.321 1.00 0.00 H new ATOM 792 N SER A 356 7.592 36.988 1.340 1.00 0.00 N ATOM 793 CA SER A 356 8.779 36.144 1.060 1.00 0.00 C ATOM 794 C SER A 356 9.748 36.153 2.259 1.00 0.00 C ATOM 795 O SER A 356 9.556 36.928 3.209 1.00 0.00 O ATOM 796 CB SER A 356 9.489 36.636 -0.225 1.00 0.00 C ATOM 797 OG SER A 356 8.644 36.505 -1.357 1.00 0.00 O ATOM 0 H SER A 356 7.817 37.854 1.830 1.00 0.00 H new ATOM 0 HA SER A 356 8.449 35.117 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 356 9.783 37.679 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 356 10.403 36.063 -0.381 1.00 0.00 H new ATOM 0 HG SER A 356 9.115 36.824 -2.155 1.00 0.00 H new ATOM 803 N VAL A 357 10.760 35.258 2.217 1.00 0.00 N ATOM 804 CA VAL A 357 11.744 35.095 3.305 1.00 0.00 C ATOM 805 C VAL A 357 12.503 36.428 3.549 1.00 0.00 C ATOM 806 O VAL A 357 13.169 36.930 2.629 1.00 0.00 O ATOM 807 CB VAL A 357 12.771 33.939 2.988 1.00 0.00 C ATOM 808 CG1 VAL A 357 13.800 33.762 4.135 1.00 0.00 C ATOM 809 CG2 VAL A 357 12.038 32.605 2.693 1.00 0.00 C ATOM 0 H VAL A 357 10.916 34.630 1.428 1.00 0.00 H new ATOM 0 HA VAL A 357 11.198 34.822 4.208 1.00 0.00 H new ATOM 0 HB VAL A 357 13.320 34.228 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 357 14.491 32.958 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 357 14.356 34.689 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 357 13.277 33.514 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 357 12.771 31.827 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 357 11.446 32.316 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 357 11.382 32.733 1.832 1.00 0.00 H new ATOM 819 N PRO A 358 12.383 37.042 4.770 1.00 0.00 N ATOM 820 CA PRO A 358 13.075 38.313 5.086 1.00 0.00 C ATOM 821 C PRO A 358 14.604 38.101 5.281 1.00 0.00 C ATOM 822 O PRO A 358 15.031 37.006 5.671 1.00 0.00 O ATOM 823 CB PRO A 358 12.367 38.780 6.381 1.00 0.00 C ATOM 824 CG PRO A 358 11.930 37.516 7.050 1.00 0.00 C ATOM 825 CD PRO A 358 11.572 36.559 5.931 1.00 0.00 C ATOM 0 HA PRO A 358 13.013 39.052 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 358 13.042 39.352 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 358 11.517 39.424 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 358 12.726 37.108 7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 358 11.074 37.694 7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 358 11.820 35.530 6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 358 10.505 36.584 5.711 1.00 0.00 H new ATOM 833 N PRO A 359 15.455 39.154 5.035 1.00 0.00 N ATOM 834 CA PRO A 359 16.947 39.058 5.156 1.00 0.00 C ATOM 835 C PRO A 359 17.453 39.152 6.621 1.00 0.00 C ATOM 836 O PRO A 359 18.635 39.446 6.856 1.00 0.00 O ATOM 837 CB PRO A 359 17.409 40.276 4.322 1.00 0.00 C ATOM 838 CG PRO A 359 16.354 41.296 4.597 1.00 0.00 C ATOM 839 CD PRO A 359 15.047 40.530 4.610 1.00 0.00 C ATOM 0 HA PRO A 359 17.336 38.099 4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 359 18.395 40.624 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 359 17.471 40.037 3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 359 16.527 41.793 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 359 16.348 42.071 3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 359 14.331 40.969 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 359 14.575 40.524 3.627 1.00 0.00 H new ATOM 847 N GLU A 360 16.540 38.904 7.581 1.00 0.00 N ATOM 848 CA GLU A 360 16.839 38.879 9.021 1.00 0.00 C ATOM 849 C GLU A 360 17.986 37.882 9.344 1.00 0.00 C ATOM 850 O GLU A 360 17.884 36.698 8.997 1.00 0.00 O ATOM 851 CB GLU A 360 15.567 38.490 9.825 1.00 0.00 C ATOM 852 CG GLU A 360 14.348 39.407 9.616 1.00 0.00 C ATOM 853 CD GLU A 360 14.593 40.868 10.032 1.00 0.00 C ATOM 854 OE1 GLU A 360 14.969 41.699 9.174 1.00 0.00 O ATOM 855 OE2 GLU A 360 14.414 41.196 11.227 1.00 0.00 O ATOM 0 H GLU A 360 15.560 38.713 7.371 1.00 0.00 H new ATOM 0 HA GLU A 360 17.163 39.879 9.311 1.00 0.00 H new ATOM 0 HB2 GLU A 360 15.285 37.472 9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 360 15.817 38.482 10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 360 14.061 39.381 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 360 13.506 39.013 10.186 1.00 0.00 H new ATOM 862 N PRO A 361 19.082 38.346 10.032 1.00 0.00 N ATOM 863 CA PRO A 361 20.229 37.480 10.429 1.00 0.00 C ATOM 864 C PRO A 361 19.867 36.519 11.595 1.00 0.00 C ATOM 865 O PRO A 361 20.685 35.692 12.020 1.00 0.00 O ATOM 866 CB PRO A 361 21.306 38.513 10.841 1.00 0.00 C ATOM 867 CG PRO A 361 20.522 39.686 11.347 1.00 0.00 C ATOM 868 CD PRO A 361 19.282 39.754 10.480 1.00 0.00 C ATOM 0 HA PRO A 361 20.555 36.811 9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 361 21.966 38.114 11.611 1.00 0.00 H new ATOM 0 HB3 PRO A 361 21.935 38.790 9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 361 20.259 39.558 12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 361 21.102 40.606 11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 361 18.422 40.121 11.040 1.00 0.00 H new ATOM 0 HD3 PRO A 361 19.422 40.427 9.634 1.00 0.00 H new ATOM 876 N GLU A 362 18.640 36.674 12.108 1.00 0.00 N ATOM 877 CA GLU A 362 18.028 35.797 13.113 1.00 0.00 C ATOM 878 C GLU A 362 16.516 35.774 12.841 1.00 0.00 C ATOM 879 O GLU A 362 15.911 36.830 12.596 1.00 0.00 O ATOM 880 CB GLU A 362 18.336 36.314 14.547 1.00 0.00 C ATOM 881 CG GLU A 362 17.911 37.773 14.800 1.00 0.00 C ATOM 882 CD GLU A 362 18.369 38.312 16.160 1.00 0.00 C ATOM 883 OE1 GLU A 362 19.427 38.975 16.226 1.00 0.00 O ATOM 884 OE2 GLU A 362 17.678 38.062 17.170 1.00 0.00 O ATOM 0 H GLU A 362 18.026 37.438 11.826 1.00 0.00 H new ATOM 0 HA GLU A 362 18.435 34.788 13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 362 17.832 35.671 15.268 1.00 0.00 H new ATOM 0 HB3 GLU A 362 19.406 36.222 14.731 1.00 0.00 H new ATOM 0 HG2 GLU A 362 18.319 38.405 14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 362 16.825 37.844 14.736 1.00 0.00 H new ATOM 891 N TRP A 363 15.907 34.583 12.847 1.00 0.00 N ATOM 892 CA TRP A 363 14.474 34.437 12.555 1.00 0.00 C ATOM 893 C TRP A 363 13.799 33.605 13.645 1.00 0.00 C ATOM 894 O TRP A 363 14.214 32.476 13.943 1.00 0.00 O ATOM 895 CB TRP A 363 14.243 33.801 11.153 1.00 0.00 C ATOM 896 CG TRP A 363 12.816 33.943 10.650 1.00 0.00 C ATOM 897 CD1 TRP A 363 12.312 34.975 9.900 1.00 0.00 C ATOM 898 CD2 TRP A 363 11.709 33.048 10.884 1.00 0.00 C ATOM 899 NE1 TRP A 363 10.982 34.766 9.643 1.00 0.00 N ATOM 900 CE2 TRP A 363 10.589 33.599 10.238 1.00 0.00 C ATOM 901 CE3 TRP A 363 11.554 31.834 11.567 1.00 0.00 C ATOM 902 CZ2 TRP A 363 9.345 32.984 10.254 1.00 0.00 C ATOM 903 CZ3 TRP A 363 10.308 31.230 11.586 1.00 0.00 C ATOM 904 CH2 TRP A 363 9.219 31.807 10.936 1.00 0.00 C ATOM 0 H TRP A 363 16.384 33.705 13.051 1.00 0.00 H new ATOM 0 HA TRP A 363 14.026 35.431 12.542 1.00 0.00 H new ATOM 0 HB2 TRP A 363 14.920 34.265 10.436 1.00 0.00 H new ATOM 0 HB3 TRP A 363 14.501 32.743 11.196 1.00 0.00 H new ATOM 0 HD1 TRP A 363 12.881 35.828 9.561 1.00 0.00 H new ATOM 0 HE1 TRP A 363 10.381 35.382 9.095 1.00 0.00 H new ATOM 0 HE3 TRP A 363 12.393 31.377 12.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 363 8.501 33.423 9.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 363 10.178 30.296 12.113 1.00 0.00 H new ATOM 0 HH2 TRP A 363 8.258 31.315 10.972 1.00 0.00 H new ATOM 915 N TYR A 364 12.755 34.188 14.238 1.00 0.00 N ATOM 916 CA TYR A 364 11.854 33.510 15.182 1.00 0.00 C ATOM 917 C TYR A 364 10.405 33.833 14.761 1.00 0.00 C ATOM 918 O TYR A 364 10.172 34.776 13.992 1.00 0.00 O ATOM 919 CB TYR A 364 12.126 33.944 16.657 1.00 0.00 C ATOM 920 CG TYR A 364 13.602 33.837 17.116 1.00 0.00 C ATOM 921 CD1 TYR A 364 14.472 34.922 16.938 1.00 0.00 C ATOM 922 CD2 TYR A 364 14.140 32.663 17.695 1.00 0.00 C ATOM 923 CE1 TYR A 364 15.795 34.857 17.322 1.00 0.00 C ATOM 924 CE2 TYR A 364 15.466 32.613 18.084 1.00 0.00 C ATOM 925 CZ TYR A 364 16.286 33.701 17.886 1.00 0.00 C ATOM 926 OH TYR A 364 17.611 33.641 18.262 1.00 0.00 O ATOM 0 H TYR A 364 12.505 35.163 14.075 1.00 0.00 H new ATOM 0 HA TYR A 364 12.027 32.434 15.148 1.00 0.00 H new ATOM 0 HB2 TYR A 364 11.798 34.976 16.781 1.00 0.00 H new ATOM 0 HB3 TYR A 364 11.512 33.332 17.318 1.00 0.00 H new ATOM 0 HD1 TYR A 364 14.097 35.830 16.490 1.00 0.00 H new ATOM 0 HD2 TYR A 364 13.509 31.798 17.834 1.00 0.00 H new ATOM 0 HE1 TYR A 364 16.443 35.709 17.181 1.00 0.00 H new ATOM 0 HE2 TYR A 364 15.859 31.719 18.544 1.00 0.00 H new ATOM 0 HH TYR A 364 17.803 32.759 18.645 1.00 0.00 H new ATOM 936 N CYS A 365 9.442 33.039 15.247 1.00 0.00 N ATOM 937 CA CYS A 365 8.008 33.194 14.900 1.00 0.00 C ATOM 938 C CYS A 365 7.424 34.468 15.560 1.00 0.00 C ATOM 939 O CYS A 365 8.031 34.987 16.506 1.00 0.00 O ATOM 940 CB CYS A 365 7.222 31.936 15.348 1.00 0.00 C ATOM 941 SG CYS A 365 7.183 31.666 17.140 1.00 0.00 S ATOM 0 H CYS A 365 9.626 32.270 15.891 1.00 0.00 H new ATOM 0 HA CYS A 365 7.914 33.301 13.819 1.00 0.00 H new ATOM 0 HB2 CYS A 365 6.198 32.015 14.984 1.00 0.00 H new ATOM 0 HB3 CYS A 365 7.663 31.060 14.872 1.00 0.00 H new ATOM 0 HG CYS A 365 8.277 32.125 17.672 1.00 0.00 H new ATOM 946 N PRO A 366 6.251 35.008 15.081 1.00 0.00 N ATOM 947 CA PRO A 366 5.587 36.182 15.714 1.00 0.00 C ATOM 948 C PRO A 366 5.243 35.937 17.199 1.00 0.00 C ATOM 949 O PRO A 366 5.250 36.875 17.982 1.00 0.00 O ATOM 950 CB PRO A 366 4.311 36.389 14.861 1.00 0.00 C ATOM 951 CG PRO A 366 4.106 35.077 14.165 1.00 0.00 C ATOM 952 CD PRO A 366 5.489 34.563 13.885 1.00 0.00 C ATOM 0 HA PRO A 366 6.235 37.058 15.729 1.00 0.00 H new ATOM 0 HB2 PRO A 366 3.454 36.645 15.484 1.00 0.00 H new ATOM 0 HB3 PRO A 366 4.439 37.202 14.146 1.00 0.00 H new ATOM 0 HG2 PRO A 366 3.546 34.382 14.791 1.00 0.00 H new ATOM 0 HG3 PRO A 366 3.538 35.204 13.243 1.00 0.00 H new ATOM 0 HD2 PRO A 366 5.504 33.479 13.776 1.00 0.00 H new ATOM 0 HD3 PRO A 366 5.898 34.981 12.965 1.00 0.00 H new ATOM 960 N SER A 367 4.999 34.661 17.567 1.00 0.00 N ATOM 961 CA SER A 367 4.704 34.251 18.964 1.00 0.00 C ATOM 962 C SER A 367 5.920 34.482 19.904 1.00 0.00 C ATOM 963 O SER A 367 5.773 34.523 21.118 1.00 0.00 O ATOM 964 CB SER A 367 4.256 32.771 18.997 1.00 0.00 C ATOM 965 OG SER A 367 3.766 32.403 20.275 1.00 0.00 O ATOM 0 H SER A 367 5.000 33.883 16.907 1.00 0.00 H new ATOM 0 HA SER A 367 3.891 34.877 19.333 1.00 0.00 H new ATOM 0 HB2 SER A 367 3.480 32.608 18.249 1.00 0.00 H new ATOM 0 HB3 SER A 367 5.096 32.130 18.730 1.00 0.00 H new ATOM 0 HG SER A 367 3.490 31.463 20.261 1.00 0.00 H new ATOM 971 N CYS A 368 7.118 34.627 19.320 1.00 0.00 N ATOM 972 CA CYS A 368 8.363 34.907 20.070 1.00 0.00 C ATOM 973 C CYS A 368 8.547 36.412 20.406 1.00 0.00 C ATOM 974 O CYS A 368 9.525 36.773 21.072 1.00 0.00 O ATOM 975 CB CYS A 368 9.582 34.331 19.304 1.00 0.00 C ATOM 976 SG CYS A 368 9.893 32.577 19.675 1.00 0.00 S ATOM 0 H CYS A 368 7.257 34.554 18.312 1.00 0.00 H new ATOM 0 HA CYS A 368 8.285 34.405 21.034 1.00 0.00 H new ATOM 0 HB2 CYS A 368 9.418 34.446 18.233 1.00 0.00 H new ATOM 0 HB3 CYS A 368 10.469 34.912 19.555 1.00 0.00 H new ATOM 0 HG CYS A 368 11.059 32.452 20.236 1.00 0.00 H new