USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 383 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -14:sc= 0.232 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0355 X(o=-0.036,f=-0.036) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.029) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 274 N ILE A 19 8.609 7.742 7.333 1.00 0.00 N ATOM 275 CA ILE A 19 9.182 6.486 7.844 1.00 0.00 C ATOM 276 C ILE A 19 8.133 5.364 7.898 1.00 0.00 C ATOM 277 O ILE A 19 8.406 4.245 7.462 1.00 0.00 O ATOM 278 CB ILE A 19 9.882 6.705 9.210 1.00 0.00 C ATOM 279 CG1 ILE A 19 11.040 7.732 9.104 1.00 0.00 C ATOM 280 CG2 ILE A 19 10.460 5.373 9.725 1.00 0.00 C ATOM 281 CD1 ILE A 19 10.649 9.176 9.447 1.00 0.00 C ATOM 0 HA ILE A 19 9.948 6.159 7.141 1.00 0.00 H new ATOM 0 HB ILE A 19 9.131 7.090 9.899 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.846 7.420 9.768 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.437 7.709 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.950 5.536 10.685 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.654 4.650 9.847 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.186 4.990 9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.520 9.823 9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.866 9.512 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.282 9.220 10.472 1.00 0.00 H new ATOM 293 N GLU A 20 6.916 5.649 8.371 1.00 0.00 N ATOM 294 CA GLU A 20 5.809 4.680 8.380 1.00 0.00 C ATOM 295 C GLU A 20 5.463 4.190 6.961 1.00 0.00 C ATOM 296 O GLU A 20 5.157 3.013 6.760 1.00 0.00 O ATOM 297 CB GLU A 20 4.584 5.256 9.122 1.00 0.00 C ATOM 298 CG GLU A 20 3.797 6.334 8.355 1.00 0.00 C ATOM 299 CD GLU A 20 2.696 7.015 9.201 1.00 0.00 C ATOM 300 OE1 GLU A 20 2.194 6.415 10.186 1.00 0.00 O ATOM 301 OE2 GLU A 20 2.300 8.157 8.870 1.00 0.00 O ATOM 0 H GLU A 20 6.667 6.559 8.760 1.00 0.00 H new ATOM 0 HA GLU A 20 6.137 3.799 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.906 4.436 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.919 5.679 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.492 7.094 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.340 5.881 7.475 1.00 0.00 H new ATOM 308 N ALA A 21 5.580 5.076 5.965 1.00 0.00 N ATOM 309 CA ALA A 21 5.398 4.747 4.557 1.00 0.00 C ATOM 310 C ALA A 21 6.605 4.008 3.941 1.00 0.00 C ATOM 311 O ALA A 21 6.419 3.073 3.159 1.00 0.00 O ATOM 312 CB ALA A 21 5.061 6.032 3.789 1.00 0.00 C ATOM 0 H ALA A 21 5.808 6.057 6.124 1.00 0.00 H new ATOM 0 HA ALA A 21 4.570 4.043 4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.922 5.799 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.144 6.465 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.877 6.746 3.899 1.00 0.00 H new ATOM 318 N LYS A 22 7.836 4.380 4.318 1.00 0.00 N ATOM 319 CA LYS A 22 9.085 3.709 3.921 1.00 0.00 C ATOM 320 C LYS A 22 9.070 2.222 4.283 1.00 0.00 C ATOM 321 O LYS A 22 9.326 1.377 3.426 1.00 0.00 O ATOM 322 CB LYS A 22 10.283 4.442 4.549 1.00 0.00 C ATOM 323 CG LYS A 22 11.635 3.832 4.148 1.00 0.00 C ATOM 324 CD LYS A 22 12.819 4.523 4.845 1.00 0.00 C ATOM 325 CE LYS A 22 13.004 6.001 4.465 1.00 0.00 C ATOM 326 NZ LYS A 22 13.407 6.165 3.042 1.00 0.00 N ATOM 0 H LYS A 22 7.997 5.182 4.927 1.00 0.00 H new ATOM 0 HA LYS A 22 9.179 3.756 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.259 5.490 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.188 4.419 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.640 2.771 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.758 3.907 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.681 4.452 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.734 3.981 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.073 6.540 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.760 6.449 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.521 7.176 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.308 5.673 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.674 5.761 2.425 1.00 0.00 H new ATOM 340 N GLU A 23 8.737 1.891 5.533 1.00 0.00 N ATOM 341 CA GLU A 23 8.638 0.494 5.977 1.00 0.00 C ATOM 342 C GLU A 23 7.612 -0.310 5.166 1.00 0.00 C ATOM 343 O GLU A 23 7.870 -1.465 4.832 1.00 0.00 O ATOM 344 CB GLU A 23 8.301 0.403 7.472 1.00 0.00 C ATOM 345 CG GLU A 23 9.446 0.888 8.370 1.00 0.00 C ATOM 346 CD GLU A 23 9.208 0.460 9.832 1.00 0.00 C ATOM 347 OE1 GLU A 23 8.260 0.966 10.478 1.00 0.00 O ATOM 348 OE2 GLU A 23 9.961 -0.407 10.344 1.00 0.00 O ATOM 0 H GLU A 23 8.530 2.574 6.261 1.00 0.00 H new ATOM 0 HA GLU A 23 9.620 0.054 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.409 0.996 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.061 -0.630 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.392 0.479 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.526 1.973 8.312 1.00 0.00 H new ATOM 355 N ALA A 24 6.475 0.290 4.801 1.00 0.00 N ATOM 356 CA ALA A 24 5.469 -0.332 3.944 1.00 0.00 C ATOM 357 C ALA A 24 5.990 -0.644 2.532 1.00 0.00 C ATOM 358 O ALA A 24 5.958 -1.806 2.115 1.00 0.00 O ATOM 359 CB ALA A 24 4.220 0.555 3.921 1.00 0.00 C ATOM 0 H ALA A 24 6.227 1.234 5.098 1.00 0.00 H new ATOM 0 HA ALA A 24 5.211 -1.304 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.462 0.100 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.829 0.659 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.480 1.539 3.530 1.00 0.00 H new ATOM 365 N CYS A 25 6.464 0.363 1.787 1.00 0.00 N ATOM 366 CA CYS A 25 6.938 0.154 0.416 1.00 0.00 C ATOM 367 C CYS A 25 8.181 -0.756 0.333 1.00 0.00 C ATOM 368 O CYS A 25 8.312 -1.494 -0.641 1.00 0.00 O ATOM 369 CB CYS A 25 7.127 1.497 -0.308 1.00 0.00 C ATOM 370 SG CYS A 25 8.476 2.497 0.387 1.00 0.00 S ATOM 0 H CYS A 25 6.529 1.328 2.111 1.00 0.00 H new ATOM 0 HA CYS A 25 6.159 -0.395 -0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.328 1.309 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.198 2.065 -0.257 1.00 0.00 H new ATOM 0 HG CYS A 25 8.816 2.020 1.547 1.00 0.00 H new ATOM 376 N ASP A 26 9.052 -0.769 1.350 1.00 0.00 N ATOM 377 CA ASP A 26 10.179 -1.711 1.456 1.00 0.00 C ATOM 378 C ASP A 26 9.716 -3.145 1.772 1.00 0.00 C ATOM 379 O ASP A 26 10.108 -4.087 1.076 1.00 0.00 O ATOM 380 CB ASP A 26 11.182 -1.248 2.528 1.00 0.00 C ATOM 381 CG ASP A 26 12.062 -0.050 2.116 1.00 0.00 C ATOM 382 OD1 ASP A 26 12.119 0.317 0.917 1.00 0.00 O ATOM 383 OD2 ASP A 26 12.770 0.489 3.000 1.00 0.00 O ATOM 0 H ASP A 26 8.995 -0.118 2.133 1.00 0.00 H new ATOM 0 HA ASP A 26 10.666 -1.722 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.631 -0.983 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.830 -2.086 2.785 1.00 0.00 H new ATOM 388 N TRP A 27 8.883 -3.336 2.805 1.00 0.00 N ATOM 389 CA TRP A 27 8.421 -4.661 3.239 1.00 0.00 C ATOM 390 C TRP A 27 7.686 -5.424 2.127 1.00 0.00 C ATOM 391 O TRP A 27 7.918 -6.621 1.948 1.00 0.00 O ATOM 392 CB TRP A 27 7.536 -4.543 4.488 1.00 0.00 C ATOM 393 CG TRP A 27 7.047 -5.864 4.996 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.689 -6.639 5.899 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.889 -6.639 4.548 1.00 0.00 C ATOM 396 NE1 TRP A 27 7.026 -7.847 6.024 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.946 -7.921 5.169 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.826 -6.412 3.644 1.00 0.00 C ATOM 399 CZ2 TRP A 27 5.033 -8.941 4.872 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.887 -7.420 3.357 1.00 0.00 C ATOM 401 CH2 TRP A 27 3.998 -8.688 3.952 1.00 0.00 C ATOM 0 H TRP A 27 8.509 -2.570 3.366 1.00 0.00 H new ATOM 0 HA TRP A 27 9.311 -5.240 3.486 1.00 0.00 H new ATOM 0 HB2 TRP A 27 8.098 -4.044 5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.679 -3.910 4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.581 -6.359 6.439 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.301 -8.589 6.667 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.733 -5.448 3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.122 -9.909 5.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.075 -7.217 2.674 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.291 -9.466 3.704 1.00 0.00 H new ATOM 412 N LEU A 28 6.846 -4.742 1.341 1.00 0.00 N ATOM 413 CA LEU A 28 6.116 -5.344 0.217 1.00 0.00 C ATOM 414 C LEU A 28 7.043 -5.998 -0.830 1.00 0.00 C ATOM 415 O LEU A 28 6.675 -7.016 -1.420 1.00 0.00 O ATOM 416 CB LEU A 28 5.213 -4.269 -0.419 1.00 0.00 C ATOM 417 CG LEU A 28 3.942 -3.946 0.394 1.00 0.00 C ATOM 418 CD1 LEU A 28 3.304 -2.654 -0.115 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.897 -5.058 0.288 1.00 0.00 C ATOM 0 H LEU A 28 6.651 -3.749 1.467 1.00 0.00 H new ATOM 0 HA LEU A 28 5.506 -6.159 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.791 -3.354 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.919 -4.601 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 28 4.252 -3.844 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.408 -2.437 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.013 -1.832 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.036 -2.770 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.019 -4.789 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.610 -5.189 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.317 -5.989 0.668 1.00 0.00 H new ATOM 431 N ARG A 29 8.261 -5.473 -1.030 1.00 0.00 N ATOM 432 CA ARG A 29 9.282 -6.083 -1.911 1.00 0.00 C ATOM 433 C ARG A 29 9.873 -7.346 -1.278 1.00 0.00 C ATOM 434 O ARG A 29 9.920 -8.390 -1.927 1.00 0.00 O ATOM 435 CB ARG A 29 10.399 -5.091 -2.301 1.00 0.00 C ATOM 436 CG ARG A 29 9.908 -3.650 -2.518 1.00 0.00 C ATOM 437 CD ARG A 29 10.842 -2.802 -3.388 1.00 0.00 C ATOM 438 NE ARG A 29 10.644 -3.083 -4.825 1.00 0.00 N ATOM 439 CZ ARG A 29 11.063 -2.358 -5.848 1.00 0.00 C ATOM 440 NH1 ARG A 29 11.807 -1.301 -5.688 1.00 0.00 N ATOM 441 NH2 ARG A 29 10.735 -2.683 -7.065 1.00 0.00 N ATOM 0 H ARG A 29 8.572 -4.609 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 29 8.771 -6.363 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.160 -5.091 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.880 -5.442 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.922 -3.678 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.791 -3.166 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.662 -1.745 -3.194 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.878 -3.004 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 29 10.126 -3.931 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.084 -1.010 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.113 -0.765 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.151 -3.502 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.062 -2.119 -7.849 1.00 0.00 H new ATOM 455 N ALA A 30 10.269 -7.273 -0.004 1.00 0.00 N ATOM 456 CA ALA A 30 10.789 -8.404 0.776 1.00 0.00 C ATOM 457 C ALA A 30 9.784 -9.574 0.899 1.00 0.00 C ATOM 458 O ALA A 30 10.181 -10.742 0.874 1.00 0.00 O ATOM 459 CB ALA A 30 11.219 -7.893 2.156 1.00 0.00 C ATOM 0 H ALA A 30 10.237 -6.404 0.529 1.00 0.00 H new ATOM 0 HA ALA A 30 11.647 -8.816 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.607 -8.723 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.995 -7.137 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.361 -7.456 2.666 1.00 0.00 H new ATOM 465 N ALA A 31 8.483 -9.271 0.974 1.00 0.00 N ATOM 466 CA ALA A 31 7.379 -10.235 0.950 1.00 0.00 C ATOM 467 C ALA A 31 7.187 -10.953 -0.406 1.00 0.00 C ATOM 468 O ALA A 31 6.433 -11.926 -0.486 1.00 0.00 O ATOM 469 CB ALA A 31 6.104 -9.486 1.346 1.00 0.00 C ATOM 0 H ALA A 31 8.158 -8.308 1.056 1.00 0.00 H new ATOM 0 HA ALA A 31 7.617 -11.033 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.260 -10.175 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.223 -9.069 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.920 -8.680 0.636 1.00 0.00 H new ATOM 475 N GLY A 32 7.851 -10.489 -1.473 1.00 0.00 N ATOM 476 CA GLY A 32 7.747 -11.034 -2.829 1.00 0.00 C ATOM 477 C GLY A 32 6.608 -10.439 -3.669 1.00 0.00 C ATOM 478 O GLY A 32 6.269 -11.009 -4.708 1.00 0.00 O ATOM 0 H GLY A 32 8.494 -9.700 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.691 -10.865 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.608 -12.113 -2.764 1.00 0.00 H new ATOM 482 N PHE A 33 6.020 -9.310 -3.249 1.00 0.00 N ATOM 483 CA PHE A 33 4.900 -8.635 -3.925 1.00 0.00 C ATOM 484 C PHE A 33 5.215 -7.157 -4.263 1.00 0.00 C ATOM 485 O PHE A 33 4.476 -6.252 -3.855 1.00 0.00 O ATOM 486 CB PHE A 33 3.621 -8.788 -3.079 1.00 0.00 C ATOM 487 CG PHE A 33 3.311 -10.182 -2.560 1.00 0.00 C ATOM 488 CD1 PHE A 33 3.201 -11.271 -3.448 1.00 0.00 C ATOM 489 CD2 PHE A 33 3.113 -10.388 -1.180 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.922 -12.560 -2.956 1.00 0.00 C ATOM 491 CE2 PHE A 33 2.822 -11.673 -0.691 1.00 0.00 C ATOM 492 CZ PHE A 33 2.739 -12.761 -1.576 1.00 0.00 C ATOM 0 H PHE A 33 6.319 -8.825 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 33 4.736 -9.119 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.695 -8.115 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.774 -8.451 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.331 -11.116 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.185 -9.555 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.848 -13.394 -3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.662 -11.824 0.366 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.535 -13.751 -1.197 1.00 0.00 H new ATOM 502 N PRO A 34 6.282 -6.867 -5.044 1.00 0.00 N ATOM 503 CA PRO A 34 6.689 -5.496 -5.367 1.00 0.00 C ATOM 504 C PRO A 34 5.669 -4.745 -6.238 1.00 0.00 C ATOM 505 O PRO A 34 5.666 -3.513 -6.245 1.00 0.00 O ATOM 506 CB PRO A 34 8.038 -5.635 -6.079 1.00 0.00 C ATOM 507 CG PRO A 34 7.954 -7.010 -6.736 1.00 0.00 C ATOM 508 CD PRO A 34 7.163 -7.819 -5.711 1.00 0.00 C ATOM 0 HA PRO A 34 6.757 -4.895 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.186 -4.846 -6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.870 -5.575 -5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.446 -6.969 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.942 -7.436 -6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.589 -8.609 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.829 -8.302 -4.996 1.00 0.00 H new ATOM 516 N GLN A 35 4.772 -5.462 -6.931 1.00 0.00 N ATOM 517 CA GLN A 35 3.682 -4.884 -7.721 1.00 0.00 C ATOM 518 C GLN A 35 2.793 -3.930 -6.906 1.00 0.00 C ATOM 519 O GLN A 35 2.395 -2.888 -7.422 1.00 0.00 O ATOM 520 CB GLN A 35 2.855 -5.994 -8.402 1.00 0.00 C ATOM 521 CG GLN A 35 2.083 -6.923 -7.446 1.00 0.00 C ATOM 522 CD GLN A 35 1.266 -7.966 -8.206 1.00 0.00 C ATOM 523 OE1 GLN A 35 1.792 -8.886 -8.820 1.00 0.00 O ATOM 524 NE2 GLN A 35 -0.049 -7.872 -8.202 1.00 0.00 N ATOM 0 H GLN A 35 4.787 -6.482 -6.956 1.00 0.00 H new ATOM 0 HA GLN A 35 4.140 -4.273 -8.498 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.143 -5.527 -9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.525 -6.602 -9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.786 -7.425 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.419 -6.328 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.504 -7.112 -7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.611 -8.559 -8.705 1.00 0.00 H new ATOM 533 N TYR A 36 2.527 -4.237 -5.628 1.00 0.00 N ATOM 534 CA TYR A 36 1.800 -3.340 -4.731 1.00 0.00 C ATOM 535 C TYR A 36 2.590 -2.048 -4.500 1.00 0.00 C ATOM 536 O TYR A 36 2.098 -0.977 -4.843 1.00 0.00 O ATOM 537 CB TYR A 36 1.458 -4.042 -3.409 1.00 0.00 C ATOM 538 CG TYR A 36 0.367 -5.093 -3.524 1.00 0.00 C ATOM 539 CD1 TYR A 36 -0.931 -4.726 -3.938 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.643 -6.436 -3.203 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.940 -5.703 -4.055 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.361 -7.416 -3.324 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.657 -7.053 -3.752 1.00 0.00 C ATOM 544 OH TYR A 36 -2.635 -7.991 -3.879 1.00 0.00 O ATOM 0 H TYR A 36 2.811 -5.114 -5.192 1.00 0.00 H new ATOM 0 HA TYR A 36 0.857 -3.069 -5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.360 -4.512 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.148 -3.291 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.152 -3.694 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.629 -6.716 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.931 -5.419 -4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.140 -8.447 -3.089 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.279 -8.870 -3.633 1.00 0.00 H new ATOM 554 N ALA A 37 3.826 -2.132 -3.991 1.00 0.00 N ATOM 555 CA ALA A 37 4.688 -0.975 -3.720 1.00 0.00 C ATOM 556 C ALA A 37 4.842 -0.030 -4.931 1.00 0.00 C ATOM 557 O ALA A 37 4.717 1.188 -4.791 1.00 0.00 O ATOM 558 CB ALA A 37 6.049 -1.482 -3.231 1.00 0.00 C ATOM 0 H ALA A 37 4.262 -3.022 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 37 4.211 -0.372 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.701 -0.633 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.914 -2.065 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.501 -2.109 -3.999 1.00 0.00 H new ATOM 564 N GLN A 38 5.067 -0.584 -6.126 1.00 0.00 N ATOM 565 CA GLN A 38 5.198 0.169 -7.382 1.00 0.00 C ATOM 566 C GLN A 38 3.925 0.942 -7.792 1.00 0.00 C ATOM 567 O GLN A 38 4.021 1.936 -8.514 1.00 0.00 O ATOM 568 CB GLN A 38 5.626 -0.800 -8.499 1.00 0.00 C ATOM 569 CG GLN A 38 7.088 -1.259 -8.369 1.00 0.00 C ATOM 570 CD GLN A 38 8.079 -0.139 -8.688 1.00 0.00 C ATOM 571 OE1 GLN A 38 8.244 0.277 -9.827 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.778 0.398 -7.709 1.00 0.00 N ATOM 0 H GLN A 38 5.166 -1.591 -6.252 1.00 0.00 H new ATOM 0 HA GLN A 38 5.956 0.935 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.974 -1.673 -8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.488 -0.315 -9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.264 -1.619 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.264 -2.099 -9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.655 0.065 -6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.442 1.146 -7.907 1.00 0.00 H new ATOM 581 N LEU A 39 2.741 0.537 -7.317 1.00 0.00 N ATOM 582 CA LEU A 39 1.455 1.203 -7.566 1.00 0.00 C ATOM 583 C LEU A 39 1.167 2.392 -6.620 1.00 0.00 C ATOM 584 O LEU A 39 0.152 3.071 -6.800 1.00 0.00 O ATOM 585 CB LEU A 39 0.334 0.139 -7.535 1.00 0.00 C ATOM 586 CG LEU A 39 0.298 -0.781 -8.773 1.00 0.00 C ATOM 587 CD1 LEU A 39 -0.684 -1.932 -8.535 1.00 0.00 C ATOM 588 CD2 LEU A 39 -0.132 -0.072 -10.060 1.00 0.00 C ATOM 0 H LEU A 39 2.648 -0.291 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 39 1.500 1.662 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.457 -0.476 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.628 0.644 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 39 1.321 -1.132 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.706 -2.579 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.365 -2.509 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.681 -1.529 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.133 -0.784 -10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.134 0.337 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.564 0.737 -10.280 1.00 0.00 H new ATOM 600 N TYR A 40 2.043 2.697 -5.653 1.00 0.00 N ATOM 601 CA TYR A 40 1.916 3.870 -4.769 1.00 0.00 C ATOM 602 C TYR A 40 1.919 5.192 -5.551 1.00 0.00 C ATOM 603 O TYR A 40 1.021 6.019 -5.393 1.00 0.00 O ATOM 604 CB TYR A 40 3.047 3.882 -3.724 1.00 0.00 C ATOM 605 CG TYR A 40 3.045 5.063 -2.762 1.00 0.00 C ATOM 606 CD1 TYR A 40 1.844 5.526 -2.179 1.00 0.00 C ATOM 607 CD2 TYR A 40 4.266 5.678 -2.416 1.00 0.00 C ATOM 608 CE1 TYR A 40 1.864 6.595 -1.264 1.00 0.00 C ATOM 609 CE2 TYR A 40 4.289 6.748 -1.501 1.00 0.00 C ATOM 610 CZ TYR A 40 3.087 7.209 -0.920 1.00 0.00 C ATOM 611 OH TYR A 40 3.100 8.240 -0.029 1.00 0.00 O ATOM 0 H TYR A 40 2.870 2.132 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 40 0.953 3.785 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.988 2.963 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.002 3.866 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.906 5.057 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.188 5.327 -2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.942 6.946 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.227 7.217 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 40 4.021 8.550 0.099 1.00 0.00 H new ATOM 621 N GLU A 41 2.917 5.384 -6.418 1.00 0.00 N ATOM 622 CA GLU A 41 3.103 6.609 -7.212 1.00 0.00 C ATOM 623 C GLU A 41 1.965 6.853 -8.222 1.00 0.00 C ATOM 624 O GLU A 41 1.685 7.999 -8.582 1.00 0.00 O ATOM 625 CB GLU A 41 4.447 6.539 -7.954 1.00 0.00 C ATOM 626 CG GLU A 41 5.648 6.550 -6.996 1.00 0.00 C ATOM 627 CD GLU A 41 6.966 6.387 -7.774 1.00 0.00 C ATOM 628 OE1 GLU A 41 7.432 7.371 -8.401 1.00 0.00 O ATOM 629 OE2 GLU A 41 7.546 5.276 -7.760 1.00 0.00 O ATOM 0 H GLU A 41 3.634 4.680 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 41 3.092 7.447 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.477 5.633 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.525 7.383 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.664 7.485 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.547 5.744 -6.269 1.00 0.00 H new ATOM 636 N ASP A 42 1.276 5.790 -8.649 1.00 0.00 N ATOM 637 CA ASP A 42 0.093 5.839 -9.522 1.00 0.00 C ATOM 638 C ASP A 42 -1.236 5.979 -8.739 1.00 0.00 C ATOM 639 O ASP A 42 -2.316 5.971 -9.335 1.00 0.00 O ATOM 640 CB ASP A 42 0.101 4.594 -10.427 1.00 0.00 C ATOM 641 CG ASP A 42 -0.750 4.767 -11.702 1.00 0.00 C ATOM 642 OD1 ASP A 42 -0.659 5.832 -12.363 1.00 0.00 O ATOM 643 OD2 ASP A 42 -1.460 3.812 -12.093 1.00 0.00 O ATOM 0 H ASP A 42 1.533 4.838 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 42 0.151 6.739 -10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.128 4.365 -10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.271 3.739 -9.862 1.00 0.00 H new ATOM 648 N SER A 43 -1.174 6.105 -7.404 1.00 0.00 N ATOM 649 CA SER A 43 -2.312 6.152 -6.465 1.00 0.00 C ATOM 650 C SER A 43 -3.267 4.945 -6.576 1.00 0.00 C ATOM 651 O SER A 43 -4.472 5.054 -6.342 1.00 0.00 O ATOM 652 CB SER A 43 -3.050 7.500 -6.550 1.00 0.00 C ATOM 653 OG SER A 43 -2.175 8.583 -6.231 1.00 0.00 O ATOM 0 H SER A 43 -0.279 6.181 -6.921 1.00 0.00 H new ATOM 0 HA SER A 43 -1.883 6.071 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.452 7.636 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.898 7.499 -5.865 1.00 0.00 H new ATOM 0 HG SER A 43 -2.666 9.429 -6.293 1.00 0.00 H new ATOM 659 N GLN A 44 -2.722 3.773 -6.927 1.00 0.00 N ATOM 660 CA GLN A 44 -3.426 2.502 -7.138 1.00 0.00 C ATOM 661 C GLN A 44 -3.300 1.528 -5.942 1.00 0.00 C ATOM 662 O GLN A 44 -3.640 0.354 -6.063 1.00 0.00 O ATOM 663 CB GLN A 44 -2.929 1.886 -8.462 1.00 0.00 C ATOM 664 CG GLN A 44 -3.550 2.513 -9.716 1.00 0.00 C ATOM 665 CD GLN A 44 -5.021 2.151 -9.907 1.00 0.00 C ATOM 666 OE1 GLN A 44 -5.398 0.994 -10.050 1.00 0.00 O ATOM 667 NE2 GLN A 44 -5.917 3.117 -9.930 1.00 0.00 N ATOM 0 H GLN A 44 -1.718 3.682 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.496 2.699 -7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.845 1.991 -8.515 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.146 0.818 -8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.455 3.597 -9.657 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.987 2.191 -10.592 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.624 4.087 -9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.903 2.895 -10.065 1.00 0.00 H new ATOM 676 N PHE A 45 -2.838 1.992 -4.773 1.00 0.00 N ATOM 677 CA PHE A 45 -2.881 1.247 -3.500 1.00 0.00 C ATOM 678 C PHE A 45 -4.306 0.804 -3.081 1.00 0.00 C ATOM 679 O PHE A 45 -4.508 -0.395 -2.864 1.00 0.00 O ATOM 680 CB PHE A 45 -2.191 2.054 -2.381 1.00 0.00 C ATOM 681 CG PHE A 45 -0.824 1.533 -1.986 1.00 0.00 C ATOM 682 CD1 PHE A 45 0.186 1.385 -2.952 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.554 1.204 -0.646 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.453 0.914 -2.572 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.712 0.711 -0.276 1.00 0.00 C ATOM 686 CZ PHE A 45 1.716 0.556 -1.243 1.00 0.00 C ATOM 0 H PHE A 45 -2.414 2.915 -4.680 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.329 0.322 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.092 3.090 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.834 2.055 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.012 1.633 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.321 1.330 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.234 0.827 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.910 0.452 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.683 0.164 -0.966 1.00 0.00 H new ATOM 696 N PRO A 46 -5.296 1.713 -2.938 1.00 0.00 N ATOM 697 CA PRO A 46 -6.663 1.359 -2.542 1.00 0.00 C ATOM 698 C PRO A 46 -7.457 0.700 -3.685 1.00 0.00 C ATOM 699 O PRO A 46 -8.266 1.340 -4.361 1.00 0.00 O ATOM 700 CB PRO A 46 -7.284 2.665 -2.026 1.00 0.00 C ATOM 701 CG PRO A 46 -6.567 3.738 -2.838 1.00 0.00 C ATOM 702 CD PRO A 46 -5.163 3.167 -3.007 1.00 0.00 C ATOM 0 HA PRO A 46 -6.677 0.595 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.361 2.690 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.120 2.793 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.052 3.906 -3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.552 4.695 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.732 3.472 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.498 3.533 -2.225 1.00 0.00 H new ATOM 710 N ILE A 47 -7.241 -0.606 -3.885 1.00 0.00 N ATOM 711 CA ILE A 47 -7.943 -1.462 -4.859 1.00 0.00 C ATOM 712 C ILE A 47 -8.570 -2.690 -4.178 1.00 0.00 C ATOM 713 O ILE A 47 -8.071 -3.812 -4.268 1.00 0.00 O ATOM 714 CB ILE A 47 -7.047 -1.825 -6.070 1.00 0.00 C ATOM 715 CG1 ILE A 47 -5.672 -2.419 -5.675 1.00 0.00 C ATOM 716 CG2 ILE A 47 -6.877 -0.584 -6.965 1.00 0.00 C ATOM 717 CD1 ILE A 47 -4.994 -3.183 -6.820 1.00 0.00 C ATOM 0 H ILE A 47 -6.542 -1.121 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.770 -0.884 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.554 -2.618 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.016 -1.613 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.803 -3.090 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.247 -0.835 -7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.854 -0.254 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.410 0.217 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.035 -3.574 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.632 -4.009 -7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.832 -2.509 -7.661 1.00 0.00 H new ATOM 729 N ASN A 48 -9.695 -2.468 -3.488 1.00 0.00 N ATOM 730 CA ASN A 48 -10.470 -3.488 -2.768 1.00 0.00 C ATOM 731 C ASN A 48 -9.592 -4.355 -1.830 1.00 0.00 C ATOM 732 O ASN A 48 -9.597 -5.588 -1.892 1.00 0.00 O ATOM 733 CB ASN A 48 -11.295 -4.275 -3.811 1.00 0.00 C ATOM 734 CG ASN A 48 -12.420 -5.111 -3.223 1.00 0.00 C ATOM 735 OD1 ASN A 48 -12.776 -5.021 -2.057 1.00 0.00 O ATOM 736 ND2 ASN A 48 -13.037 -5.942 -4.035 1.00 0.00 N ATOM 0 H ASN A 48 -10.107 -1.538 -3.412 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.167 -3.022 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.719 -3.571 -4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.624 -4.930 -4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.811 -6.510 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.741 -6.018 -5.008 1.00 0.00 H new ATOM 743 N ILE A 49 -8.804 -3.694 -0.966 1.00 0.00 N ATOM 744 CA ILE A 49 -7.773 -4.302 -0.096 1.00 0.00 C ATOM 745 C ILE A 49 -8.350 -5.461 0.740 1.00 0.00 C ATOM 746 O ILE A 49 -7.754 -6.536 0.827 1.00 0.00 O ATOM 747 CB ILE A 49 -7.093 -3.227 0.792 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.365 -2.164 -0.070 1.00 0.00 C ATOM 749 CG2 ILE A 49 -6.087 -3.882 1.763 1.00 0.00 C ATOM 750 CD1 ILE A 49 -5.995 -0.885 0.697 1.00 0.00 C ATOM 0 H ILE A 49 -8.867 -2.683 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.003 -4.730 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.877 -2.732 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.457 -2.604 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.001 -1.898 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.620 -3.112 2.377 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.610 -4.591 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.320 -4.406 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.489 -0.191 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.901 -0.419 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.332 -1.136 1.525 1.00 0.00 H new ATOM 762 N VAL A 50 -9.542 -5.259 1.309 1.00 0.00 N ATOM 763 CA VAL A 50 -10.295 -6.244 2.110 1.00 0.00 C ATOM 764 C VAL A 50 -10.648 -7.539 1.354 1.00 0.00 C ATOM 765 O VAL A 50 -10.840 -8.580 1.985 1.00 0.00 O ATOM 766 CB VAL A 50 -11.532 -5.562 2.736 1.00 0.00 C ATOM 767 CG1 VAL A 50 -12.564 -5.107 1.695 1.00 0.00 C ATOM 768 CG2 VAL A 50 -12.227 -6.431 3.789 1.00 0.00 C ATOM 0 H VAL A 50 -10.034 -4.370 1.224 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.635 -6.584 2.908 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.128 -4.677 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.407 -4.636 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.103 -4.391 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.916 -5.970 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.088 -5.897 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.560 -7.362 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.529 -6.653 4.596 1.00 0.00 H new ATOM 969 N LEU A 63 1.225 -13.939 6.743 1.00 0.00 N ATOM 970 CA LEU A 63 1.649 -13.014 5.682 1.00 0.00 C ATOM 971 C LEU A 63 0.546 -12.001 5.290 1.00 0.00 C ATOM 972 O LEU A 63 0.838 -10.946 4.725 1.00 0.00 O ATOM 973 CB LEU A 63 2.101 -13.867 4.477 1.00 0.00 C ATOM 974 CG LEU A 63 2.864 -13.124 3.361 1.00 0.00 C ATOM 975 CD1 LEU A 63 4.158 -12.485 3.869 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.238 -14.113 2.254 1.00 0.00 C ATOM 0 HA LEU A 63 2.473 -12.400 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.735 -14.673 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.219 -14.332 4.037 1.00 0.00 H new ATOM 0 HG LEU A 63 2.205 -12.338 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.659 -11.974 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.925 -11.766 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.814 -13.259 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.777 -13.589 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.871 -14.898 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.332 -14.557 1.841 1.00 0.00 H new ATOM 988 N VAL A 64 -0.720 -12.301 5.604 1.00 0.00 N ATOM 989 CA VAL A 64 -1.903 -11.500 5.240 1.00 0.00 C ATOM 990 C VAL A 64 -2.102 -10.281 6.154 1.00 0.00 C ATOM 991 O VAL A 64 -2.576 -9.242 5.693 1.00 0.00 O ATOM 992 CB VAL A 64 -3.160 -12.393 5.229 1.00 0.00 C ATOM 993 CG1 VAL A 64 -4.415 -11.628 4.811 1.00 0.00 C ATOM 994 CG2 VAL A 64 -2.999 -13.557 4.237 1.00 0.00 C ATOM 0 H VAL A 64 -0.961 -13.137 6.137 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.732 -11.105 4.239 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.271 -12.755 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.272 -12.302 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.591 -10.809 5.508 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.279 -11.227 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.899 -14.172 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.843 -13.161 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.141 -14.164 4.525 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.698 -10.363 7.427 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.676 -9.213 8.350 1.00 0.00 C ATOM 1006 C GLU A 65 -0.865 -8.029 7.783 1.00 0.00 C ATOM 1007 O GLU A 65 -1.461 -6.976 7.540 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.175 -9.607 9.756 1.00 0.00 C ATOM 1009 CG GLU A 65 -2.312 -9.794 10.764 1.00 0.00 C ATOM 1010 CD GLU A 65 -1.752 -9.904 12.199 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -1.330 -11.003 12.616 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -1.734 -8.871 12.924 1.00 0.00 O ATOM 0 H GLU A 65 -1.375 -11.232 7.852 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.709 -8.882 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.603 -10.532 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.495 -8.838 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.003 -8.954 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.879 -10.692 10.519 1.00 0.00 H new ATOM 1019 N PRO A 66 0.457 -8.159 7.537 1.00 0.00 N ATOM 1020 CA PRO A 66 1.264 -7.068 7.003 1.00 0.00 C ATOM 1021 C PRO A 66 0.864 -6.661 5.578 1.00 0.00 C ATOM 1022 O PRO A 66 0.915 -5.470 5.275 1.00 0.00 O ATOM 1023 CB PRO A 66 2.720 -7.523 7.109 1.00 0.00 C ATOM 1024 CG PRO A 66 2.620 -9.046 7.095 1.00 0.00 C ATOM 1025 CD PRO A 66 1.299 -9.316 7.801 1.00 0.00 C ATOM 0 HA PRO A 66 1.103 -6.157 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.318 -7.152 6.276 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.188 -7.160 8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.621 -9.440 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.457 -9.509 7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.836 -10.229 7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.450 -9.452 8.872 1.00 0.00 H new ATOM 1033 N LEU A 67 0.379 -7.580 4.730 1.00 0.00 N ATOM 1034 CA LEU A 67 -0.215 -7.246 3.425 1.00 0.00 C ATOM 1035 C LEU A 67 -1.297 -6.161 3.571 1.00 0.00 C ATOM 1036 O LEU A 67 -1.196 -5.103 2.951 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.745 -8.528 2.749 1.00 0.00 C ATOM 1038 CG LEU A 67 -1.533 -8.310 1.441 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -0.696 -7.647 0.346 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -2.036 -9.656 0.919 1.00 0.00 C ATOM 0 H LEU A 67 0.387 -8.580 4.930 1.00 0.00 H new ATOM 0 HA LEU A 67 0.553 -6.825 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.100 -9.183 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.387 -9.053 3.457 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.361 -7.642 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.304 -7.520 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.351 -6.673 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.164 -8.276 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.593 -9.503 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.187 -10.312 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.687 -10.114 1.663 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.304 -6.388 4.421 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.321 -5.381 4.727 1.00 0.00 C ATOM 1054 C CYS A 68 -2.725 -4.138 5.415 1.00 0.00 C ATOM 1055 O CYS A 68 -2.963 -3.016 4.968 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.424 -6.032 5.570 1.00 0.00 C ATOM 1057 SG CYS A 68 -5.797 -4.855 5.762 1.00 0.00 S ATOM 0 H CYS A 68 -2.435 -7.272 4.913 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.751 -5.018 3.793 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.776 -6.945 5.089 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.033 -6.316 6.547 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.739 -5.399 6.474 1.00 0.00 H new ATOM 1063 N ARG A 69 -1.932 -4.318 6.480 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.360 -3.243 7.317 1.00 0.00 C ATOM 1065 C ARG A 69 -0.555 -2.221 6.510 1.00 0.00 C ATOM 1066 O ARG A 69 -0.793 -1.019 6.629 1.00 0.00 O ATOM 1067 CB ARG A 69 -0.507 -3.879 8.432 1.00 0.00 C ATOM 1068 CG ARG A 69 -0.269 -2.956 9.634 1.00 0.00 C ATOM 1069 CD ARG A 69 0.706 -3.636 10.606 1.00 0.00 C ATOM 1070 NE ARG A 69 0.739 -2.963 11.918 1.00 0.00 N ATOM 1071 CZ ARG A 69 1.685 -3.051 12.839 1.00 0.00 C ATOM 1072 NH1 ARG A 69 2.794 -3.707 12.637 1.00 0.00 N ATOM 1073 NH2 ARG A 69 1.532 -2.479 13.998 1.00 0.00 N ATOM 0 H ARG A 69 -1.659 -5.248 6.798 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.183 -2.681 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.997 -4.789 8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.456 -4.174 8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.138 -2.001 9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.212 -2.742 10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.416 -4.678 10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.707 -3.637 10.174 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.056 -2.363 12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.955 -4.174 11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.501 -3.753 13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.679 -1.959 14.201 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.266 -2.551 14.703 1.00 0.00 H new ATOM 1087 N ARG A 70 0.385 -2.680 5.674 1.00 0.00 N ATOM 1088 CA ARG A 70 1.234 -1.829 4.821 1.00 0.00 C ATOM 1089 C ARG A 70 0.423 -1.070 3.763 1.00 0.00 C ATOM 1090 O ARG A 70 0.632 0.131 3.592 1.00 0.00 O ATOM 1091 CB ARG A 70 2.358 -2.668 4.180 1.00 0.00 C ATOM 1092 CG ARG A 70 3.383 -3.298 5.151 1.00 0.00 C ATOM 1093 CD ARG A 70 3.757 -2.455 6.377 1.00 0.00 C ATOM 1094 NE ARG A 70 4.968 -2.986 7.036 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.604 -2.478 8.076 1.00 0.00 C ATOM 1096 NH1 ARG A 70 5.200 -1.392 8.674 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.669 -3.059 8.544 1.00 0.00 N ATOM 0 H ARG A 70 0.583 -3.675 5.567 1.00 0.00 H new ATOM 0 HA ARG A 70 1.689 -1.071 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.899 -3.469 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.898 -2.035 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.985 -4.252 5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.294 -3.517 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.927 -1.422 6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.928 -2.447 7.084 1.00 0.00 H new ATOM 0 HE ARG A 70 5.357 -3.843 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.367 -0.906 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.717 -1.028 9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.018 -3.912 8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.155 -2.661 9.348 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.536 -1.732 3.106 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.484 -1.088 2.183 1.00 0.00 C ATOM 1113 C LEU A 71 -2.323 -0.002 2.888 1.00 0.00 C ATOM 1114 O LEU A 71 -2.401 1.133 2.416 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.368 -2.152 1.496 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.636 -3.066 0.488 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.572 -4.174 0.002 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.153 -2.309 -0.748 1.00 0.00 C ATOM 0 H LEU A 71 -0.679 -2.738 3.199 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.913 -0.576 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.821 -2.777 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.182 -1.645 0.978 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.775 -3.472 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.044 -4.811 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.900 -4.772 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.440 -3.729 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.646 -2.999 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.007 -1.864 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.461 -1.523 -0.446 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.907 -0.318 4.048 1.00 0.00 N ATOM 1131 CA ASN A 72 -3.693 0.600 4.881 1.00 0.00 C ATOM 1132 C ASN A 72 -2.889 1.825 5.368 1.00 0.00 C ATOM 1133 O ASN A 72 -3.408 2.942 5.381 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.269 -0.204 6.060 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.108 0.658 6.989 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -6.163 1.159 6.627 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -4.668 0.866 8.209 1.00 0.00 N ATOM 0 H ASN A 72 -2.844 -1.254 4.448 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.497 1.018 4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.879 -1.021 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.452 -0.654 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.206 1.445 8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.788 0.448 8.512 1.00 0.00 H new ATOM 1144 N THR A 73 -1.617 1.635 5.737 1.00 0.00 N ATOM 1145 CA THR A 73 -0.715 2.712 6.197 1.00 0.00 C ATOM 1146 C THR A 73 -0.551 3.806 5.132 1.00 0.00 C ATOM 1147 O THR A 73 -0.652 4.993 5.450 1.00 0.00 O ATOM 1148 CB THR A 73 0.656 2.154 6.617 1.00 0.00 C ATOM 1149 OG1 THR A 73 0.502 1.221 7.671 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.602 3.228 7.150 1.00 0.00 C ATOM 0 H THR A 73 -1.173 0.717 5.726 1.00 0.00 H new ATOM 0 HA THR A 73 -1.179 3.165 7.073 1.00 0.00 H new ATOM 0 HB THR A 73 1.074 1.707 5.715 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.047 0.421 7.335 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.551 2.771 7.429 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.773 3.978 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.157 3.703 8.024 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.348 3.431 3.863 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.272 4.380 2.740 1.00 0.00 C ATOM 1160 C LEU A 74 -1.643 4.934 2.325 1.00 0.00 C ATOM 1161 O LEU A 74 -1.718 6.090 1.912 1.00 0.00 O ATOM 1162 CB LEU A 74 0.446 3.725 1.547 1.00 0.00 C ATOM 1163 CG LEU A 74 1.959 4.009 1.528 1.00 0.00 C ATOM 1164 CD1 LEU A 74 2.643 3.515 2.794 1.00 0.00 C ATOM 1165 CD2 LEU A 74 2.665 3.318 0.363 1.00 0.00 C ATOM 0 H LEU A 74 -0.231 2.457 3.583 1.00 0.00 H new ATOM 0 HA LEU A 74 0.306 5.239 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.284 2.648 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.002 4.086 0.619 1.00 0.00 H new ATOM 0 HG LEU A 74 2.039 5.092 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.709 3.735 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.212 4.017 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.499 2.439 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.730 3.549 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.526 2.240 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.244 3.671 -0.578 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.728 4.165 2.473 1.00 0.00 N ATOM 1178 CA ASN A 75 -4.097 4.589 2.144 1.00 0.00 C ATOM 1179 C ASN A 75 -4.501 5.903 2.861 1.00 0.00 C ATOM 1180 O ASN A 75 -5.084 6.799 2.241 1.00 0.00 O ATOM 1181 CB ASN A 75 -5.056 3.421 2.451 1.00 0.00 C ATOM 1182 CG ASN A 75 -6.438 3.546 1.826 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -6.796 4.517 1.178 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -7.260 2.534 1.988 1.00 0.00 N ATOM 0 H ASN A 75 -2.680 3.211 2.832 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.155 4.827 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.599 2.494 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.168 3.337 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.192 2.562 1.573 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.967 1.720 2.528 1.00 0.00 H new ATOM 1191 N LYS A 76 -4.094 6.062 4.132 1.00 0.00 N ATOM 1192 CA LYS A 76 -4.231 7.287 4.952 1.00 0.00 C ATOM 1193 C LYS A 76 -3.715 8.552 4.238 1.00 0.00 C ATOM 1194 O LYS A 76 -4.335 9.611 4.332 1.00 0.00 O ATOM 1195 CB LYS A 76 -3.480 7.066 6.282 1.00 0.00 C ATOM 1196 CG LYS A 76 -3.653 8.181 7.335 1.00 0.00 C ATOM 1197 CD LYS A 76 -4.738 7.874 8.375 1.00 0.00 C ATOM 1198 CE LYS A 76 -4.851 9.048 9.358 1.00 0.00 C ATOM 1199 NZ LYS A 76 -5.738 8.730 10.507 1.00 0.00 N ATOM 0 H LYS A 76 -3.638 5.306 4.644 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.292 7.461 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.816 6.124 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.417 6.956 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.703 8.338 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.900 9.114 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.695 7.707 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.493 6.958 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.859 9.308 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.236 9.923 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.786 9.549 11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.692 8.507 10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.358 7.911 11.023 1.00 0.00 H new ATOM 1213 N CYS A 77 -2.583 8.444 3.537 1.00 0.00 N ATOM 1214 CA CYS A 77 -1.961 9.530 2.772 1.00 0.00 C ATOM 1215 C CYS A 77 -2.494 9.620 1.325 1.00 0.00 C ATOM 1216 O CYS A 77 -2.685 10.719 0.796 1.00 0.00 O ATOM 1217 CB CYS A 77 -0.440 9.308 2.813 1.00 0.00 C ATOM 1218 SG CYS A 77 0.431 10.776 2.195 1.00 0.00 S ATOM 0 H CYS A 77 -2.057 7.572 3.484 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.216 10.489 3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.125 9.093 3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.176 8.440 2.209 1.00 0.00 H new ATOM 0 HG CYS A 77 1.714 10.570 2.239 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.755 8.474 0.683 1.00 0.00 N ATOM 1225 CA ALA A 78 -3.188 8.365 -0.713 1.00 0.00 C ATOM 1226 C ALA A 78 -4.547 9.040 -0.999 1.00 0.00 C ATOM 1227 O ALA A 78 -4.673 9.731 -2.012 1.00 0.00 O ATOM 1228 CB ALA A 78 -3.219 6.880 -1.102 1.00 0.00 C ATOM 0 H ALA A 78 -2.667 7.566 1.139 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.468 8.908 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.540 6.782 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.222 6.453 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.917 6.349 -0.455 1.00 0.00 H new