USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 284 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 23 CYS SG : rot 2:sc= 1.74 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0117 K(o=0.93,f=0.071) USER MOD Set 1.3: A 26 CYS SG : rot -51:sc= -0.138 USER MOD Set 1.4: A 47 CYS SG : rot -132:sc= 0.287 USER MOD Set 1.5: A 51 CYS SG : rot 130:sc= -0.973 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.56) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.727 K(o=-0.73,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.504) USER MOD Single : A 42 SER OG : rot 75:sc= 0.681 USER MOD Single : A 44 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 48 SER OG : rot 180:sc= -0.12 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -81:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 251 N LYS A 20 6.005 3.545 0.013 1.00 0.00 N ATOM 252 CA LYS A 20 6.312 2.439 -0.886 1.00 0.00 C ATOM 253 C LYS A 20 5.088 1.553 -1.096 1.00 0.00 C ATOM 254 O LYS A 20 4.019 1.815 -0.543 1.00 0.00 O ATOM 255 CB LYS A 20 7.468 1.606 -0.328 1.00 0.00 C ATOM 256 CG LYS A 20 7.213 1.073 1.071 1.00 0.00 C ATOM 257 CD LYS A 20 8.205 -0.016 1.442 1.00 0.00 C ATOM 258 CE LYS A 20 9.497 0.570 1.992 1.00 0.00 C ATOM 259 NZ LYS A 20 10.631 -0.388 1.884 1.00 0.00 N ATOM 0 HA LYS A 20 6.606 2.857 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.657 0.768 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.372 2.215 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.281 1.889 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.199 0.679 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.759 -0.678 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.425 -0.624 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.741 1.484 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.354 0.847 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.493 0.049 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.410 -1.250 2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.784 -0.633 0.885 1.00 0.00 H new ATOM 273 N ILE A 21 5.251 0.506 -1.896 1.00 0.00 N ATOM 274 CA ILE A 21 4.160 -0.419 -2.176 1.00 0.00 C ATOM 275 C ILE A 21 4.437 -1.794 -1.577 1.00 0.00 C ATOM 276 O ILE A 21 5.557 -2.301 -1.649 1.00 0.00 O ATOM 277 CB ILE A 21 3.924 -0.570 -3.690 1.00 0.00 C ATOM 278 CG1 ILE A 21 3.609 0.790 -4.317 1.00 0.00 C ATOM 279 CG2 ILE A 21 2.795 -1.556 -3.955 1.00 0.00 C ATOM 280 CD1 ILE A 21 3.654 0.783 -5.829 1.00 0.00 C ATOM 0 H ILE A 21 6.129 0.276 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 21 3.265 0.001 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 21 4.834 -0.958 -4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.619 1.110 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.320 1.527 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.640 -1.652 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.056 -2.529 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.879 -1.195 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.421 1.779 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.651 0.494 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.923 0.071 -6.211 1.00 0.00 H new ATOM 292 N THR A 22 3.409 -2.394 -0.986 1.00 0.00 N ATOM 293 CA THR A 22 3.541 -3.711 -0.374 1.00 0.00 C ATOM 294 C THR A 22 2.452 -4.657 -0.867 1.00 0.00 C ATOM 295 O THR A 22 1.309 -4.250 -1.074 1.00 0.00 O ATOM 296 CB THR A 22 3.475 -3.626 1.162 1.00 0.00 C ATOM 297 OG1 THR A 22 2.467 -2.689 1.558 1.00 0.00 O ATOM 298 CG2 THR A 22 4.819 -3.207 1.739 1.00 0.00 C ATOM 0 H THR A 22 2.475 -1.989 -0.918 1.00 0.00 H new ATOM 0 HA THR A 22 4.516 -4.100 -0.667 1.00 0.00 H new ATOM 0 HB THR A 22 3.224 -4.614 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.430 -2.642 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.748 -3.154 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.578 -3.938 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.095 -2.229 1.345 1.00 0.00 H new ATOM 306 N CYS A 23 2.814 -5.922 -1.052 1.00 0.00 N ATOM 307 CA CYS A 23 1.868 -6.928 -1.520 1.00 0.00 C ATOM 308 C CYS A 23 0.517 -6.767 -0.829 1.00 0.00 C ATOM 309 O CYS A 23 0.448 -6.568 0.383 1.00 0.00 O ATOM 310 CB CYS A 23 2.418 -8.333 -1.268 1.00 0.00 C ATOM 311 SG CYS A 23 1.292 -9.674 -1.769 1.00 0.00 S ATOM 0 H CYS A 23 3.756 -6.275 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 23 1.728 -6.788 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.360 -8.444 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.642 -8.439 -0.207 1.00 0.00 H new ATOM 0 HG CYS A 23 0.219 -9.165 -2.297 1.00 0.00 H new ATOM 316 N ALA A 24 -0.555 -6.856 -1.610 1.00 0.00 N ATOM 317 CA ALA A 24 -1.904 -6.723 -1.074 1.00 0.00 C ATOM 318 C ALA A 24 -2.385 -8.036 -0.466 1.00 0.00 C ATOM 319 O ALA A 24 -3.584 -8.247 -0.292 1.00 0.00 O ATOM 320 CB ALA A 24 -2.861 -6.260 -2.162 1.00 0.00 C ATOM 0 H ALA A 24 -0.515 -7.020 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.882 -5.974 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.865 -6.165 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.534 -5.294 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.871 -6.989 -2.972 1.00 0.00 H new ATOM 326 N ASN A 25 -1.441 -8.915 -0.146 1.00 0.00 N ATOM 327 CA ASN A 25 -1.770 -10.209 0.442 1.00 0.00 C ATOM 328 C ASN A 25 -0.924 -10.473 1.684 1.00 0.00 C ATOM 329 O ASN A 25 -1.453 -10.640 2.784 1.00 0.00 O ATOM 330 CB ASN A 25 -1.555 -11.326 -0.581 1.00 0.00 C ATOM 331 CG ASN A 25 -2.332 -12.582 -0.237 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.529 -12.680 -0.508 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.652 -13.552 0.364 1.00 0.00 N ATOM 0 H ASN A 25 -0.443 -8.755 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.819 -10.191 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.856 -10.974 -1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.493 -11.563 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.121 -14.421 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.661 -13.428 0.570 1.00 0.00 H new ATOM 340 N CYS A 26 0.391 -10.508 1.501 1.00 0.00 N ATOM 341 CA CYS A 26 1.311 -10.751 2.606 1.00 0.00 C ATOM 342 C CYS A 26 1.858 -9.438 3.158 1.00 0.00 C ATOM 343 O CYS A 26 2.454 -9.403 4.234 1.00 0.00 O ATOM 344 CB CYS A 26 2.466 -11.645 2.149 1.00 0.00 C ATOM 345 SG CYS A 26 3.400 -10.985 0.731 1.00 0.00 S ATOM 0 H CYS A 26 0.844 -10.371 0.598 1.00 0.00 H new ATOM 0 HA CYS A 26 0.760 -11.257 3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.150 -11.792 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.070 -12.626 1.885 1.00 0.00 H new ATOM 0 HG CYS A 26 2.574 -10.655 -0.217 1.00 0.00 H new ATOM 350 N LYS A 27 1.650 -8.357 2.413 1.00 0.00 N ATOM 351 CA LYS A 27 2.119 -7.040 2.826 1.00 0.00 C ATOM 352 C LYS A 27 3.641 -7.013 2.929 1.00 0.00 C ATOM 353 O LYS A 27 4.197 -6.640 3.962 1.00 0.00 O ATOM 354 CB LYS A 27 1.499 -6.654 4.170 1.00 0.00 C ATOM 355 CG LYS A 27 0.018 -6.328 4.086 1.00 0.00 C ATOM 356 CD LYS A 27 -0.220 -4.985 3.416 1.00 0.00 C ATOM 357 CE LYS A 27 -1.691 -4.780 3.087 1.00 0.00 C ATOM 358 NZ LYS A 27 -1.928 -3.483 2.395 1.00 0.00 N ATOM 0 H LYS A 27 1.159 -8.368 1.519 1.00 0.00 H new ATOM 0 HA LYS A 27 1.811 -6.318 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.643 -7.473 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.030 -5.791 4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.497 -7.110 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.410 -6.317 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.122 -4.184 4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.371 -4.923 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.040 -5.598 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.277 -4.814 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.942 -3.380 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.619 -2.701 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.389 -3.460 1.506 1.00 0.00 H new ATOM 372 N LYS A 28 4.310 -7.408 1.851 1.00 0.00 N ATOM 373 CA LYS A 28 5.767 -7.427 1.819 1.00 0.00 C ATOM 374 C LYS A 28 6.307 -6.287 0.959 1.00 0.00 C ATOM 375 O LYS A 28 5.697 -5.882 -0.030 1.00 0.00 O ATOM 376 CB LYS A 28 6.269 -8.768 1.279 1.00 0.00 C ATOM 377 CG LYS A 28 6.350 -9.857 2.335 1.00 0.00 C ATOM 378 CD LYS A 28 6.604 -11.219 1.713 1.00 0.00 C ATOM 379 CE LYS A 28 6.296 -12.344 2.690 1.00 0.00 C ATOM 380 NZ LYS A 28 7.280 -12.393 3.807 1.00 0.00 N ATOM 0 H LYS A 28 3.866 -7.719 0.987 1.00 0.00 H new ATOM 0 HA LYS A 28 6.129 -7.294 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.607 -9.098 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.256 -8.626 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.148 -9.623 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.421 -9.883 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.989 -11.333 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.644 -11.287 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.293 -12.209 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.300 -13.297 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.036 -13.172 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.234 -12.547 3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.258 -11.494 4.329 1.00 0.00 H new ATOM 394 N PRO A 29 7.478 -5.758 1.344 1.00 0.00 N ATOM 395 CA PRO A 29 8.126 -4.660 0.621 1.00 0.00 C ATOM 396 C PRO A 29 8.658 -5.096 -0.740 1.00 0.00 C ATOM 397 O PRO A 29 9.691 -5.760 -0.830 1.00 0.00 O ATOM 398 CB PRO A 29 9.280 -4.260 1.543 1.00 0.00 C ATOM 399 CG PRO A 29 9.576 -5.488 2.333 1.00 0.00 C ATOM 400 CD PRO A 29 8.260 -6.192 2.514 1.00 0.00 C ATOM 0 HA PRO A 29 7.432 -3.847 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.150 -3.938 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.999 -3.430 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.290 -6.125 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.019 -5.235 3.296 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.383 -7.275 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.777 -5.907 3.449 1.00 0.00 H new ATOM 408 N LEU A 30 7.947 -4.718 -1.796 1.00 0.00 N ATOM 409 CA LEU A 30 8.348 -5.070 -3.154 1.00 0.00 C ATOM 410 C LEU A 30 9.341 -4.053 -3.709 1.00 0.00 C ATOM 411 O LEU A 30 8.991 -2.899 -3.950 1.00 0.00 O ATOM 412 CB LEU A 30 7.121 -5.151 -4.065 1.00 0.00 C ATOM 413 CG LEU A 30 5.915 -5.903 -3.501 1.00 0.00 C ATOM 414 CD1 LEU A 30 4.697 -5.699 -4.387 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.230 -7.385 -3.356 1.00 0.00 C ATOM 0 H LEU A 30 7.090 -4.168 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 30 8.834 -6.045 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.808 -4.136 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.418 -5.629 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 30 5.691 -5.502 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.849 -6.242 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.458 -4.637 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.909 -6.072 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.360 -7.904 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.481 -7.801 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.075 -7.513 -2.679 1.00 0.00 H new ATOM 427 N GLN A 31 10.579 -4.493 -3.911 1.00 0.00 N ATOM 428 CA GLN A 31 11.622 -3.621 -4.439 1.00 0.00 C ATOM 429 C GLN A 31 11.215 -3.042 -5.790 1.00 0.00 C ATOM 430 O GLN A 31 10.323 -3.565 -6.458 1.00 0.00 O ATOM 431 CB GLN A 31 12.937 -4.389 -4.575 1.00 0.00 C ATOM 432 CG GLN A 31 14.171 -3.520 -4.391 1.00 0.00 C ATOM 433 CD GLN A 31 15.434 -4.184 -4.903 1.00 0.00 C ATOM 434 OE1 GLN A 31 15.602 -5.398 -4.787 1.00 0.00 O ATOM 435 NE2 GLN A 31 16.331 -3.389 -5.474 1.00 0.00 N ATOM 0 H GLN A 31 10.884 -5.447 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 31 11.761 -2.797 -3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.956 -5.193 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.975 -4.856 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.025 -2.574 -4.912 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.291 -3.286 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.151 -2.388 -5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.200 -3.779 -5.838 1.00 0.00 H new ATOM 444 N LYS A 32 11.874 -1.959 -6.187 1.00 0.00 N ATOM 445 CA LYS A 32 11.583 -1.309 -7.459 1.00 0.00 C ATOM 446 C LYS A 32 11.816 -2.264 -8.624 1.00 0.00 C ATOM 447 O LYS A 32 11.013 -2.331 -9.555 1.00 0.00 O ATOM 448 CB LYS A 32 12.452 -0.060 -7.627 1.00 0.00 C ATOM 449 CG LYS A 32 11.818 1.202 -7.070 1.00 0.00 C ATOM 450 CD LYS A 32 11.950 1.272 -5.557 1.00 0.00 C ATOM 451 CE LYS A 32 13.234 1.974 -5.142 1.00 0.00 C ATOM 452 NZ LYS A 32 13.062 3.452 -5.080 1.00 0.00 N ATOM 0 H LYS A 32 12.614 -1.512 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 32 10.533 -1.016 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.409 -0.224 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.662 0.086 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.291 2.076 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.764 1.233 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.093 1.801 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.935 0.264 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.552 1.604 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.027 1.730 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.959 3.894 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.783 3.809 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.323 3.687 -4.386 1.00 0.00 H new ATOM 466 N GLY A 33 12.919 -3.004 -8.567 1.00 0.00 N ATOM 467 CA GLY A 33 13.237 -3.947 -9.623 1.00 0.00 C ATOM 468 C GLY A 33 12.326 -5.159 -9.611 1.00 0.00 C ATOM 469 O GLY A 33 11.892 -5.626 -10.663 1.00 0.00 O ATOM 0 H GLY A 33 13.599 -2.967 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.159 -3.447 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.272 -4.273 -9.516 1.00 0.00 H new ATOM 473 N GLN A 34 12.039 -5.669 -8.418 1.00 0.00 N ATOM 474 CA GLN A 34 11.176 -6.836 -8.275 1.00 0.00 C ATOM 475 C GLN A 34 9.956 -6.726 -9.184 1.00 0.00 C ATOM 476 O GLN A 34 9.655 -5.655 -9.710 1.00 0.00 O ATOM 477 CB GLN A 34 10.730 -6.991 -6.820 1.00 0.00 C ATOM 478 CG GLN A 34 11.809 -7.557 -5.910 1.00 0.00 C ATOM 479 CD GLN A 34 12.550 -8.721 -6.537 1.00 0.00 C ATOM 480 OE1 GLN A 34 11.938 -9.678 -7.013 1.00 0.00 O ATOM 481 NE2 GLN A 34 13.876 -8.645 -6.542 1.00 0.00 N ATOM 0 H GLN A 34 12.391 -5.293 -7.537 1.00 0.00 H new ATOM 0 HA GLN A 34 11.747 -7.717 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.418 -6.019 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.857 -7.643 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.521 -6.769 -5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.355 -7.882 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.342 -7.833 -6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.428 -9.398 -6.951 1.00 0.00 H new ATOM 490 N THR A 35 9.257 -7.842 -9.365 1.00 0.00 N ATOM 491 CA THR A 35 8.071 -7.872 -10.212 1.00 0.00 C ATOM 492 C THR A 35 6.809 -8.085 -9.383 1.00 0.00 C ATOM 493 O THR A 35 6.816 -8.833 -8.406 1.00 0.00 O ATOM 494 CB THR A 35 8.167 -8.983 -11.275 1.00 0.00 C ATOM 495 OG1 THR A 35 9.359 -8.816 -12.051 1.00 0.00 O ATOM 496 CG2 THR A 35 6.953 -8.962 -12.191 1.00 0.00 C ATOM 0 H THR A 35 9.492 -8.737 -8.936 1.00 0.00 H new ATOM 0 HA THR A 35 8.015 -6.905 -10.712 1.00 0.00 H new ATOM 0 HB THR A 35 8.199 -9.944 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.414 -9.527 -12.723 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.043 -9.755 -12.933 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.050 -9.118 -11.601 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.895 -7.998 -12.696 1.00 0.00 H new ATOM 504 N ALA A 36 5.727 -7.424 -9.781 1.00 0.00 N ATOM 505 CA ALA A 36 4.457 -7.544 -9.076 1.00 0.00 C ATOM 506 C ALA A 36 3.388 -8.160 -9.972 1.00 0.00 C ATOM 507 O ALA A 36 3.259 -7.796 -11.142 1.00 0.00 O ATOM 508 CB ALA A 36 4.004 -6.183 -8.570 1.00 0.00 C ATOM 0 H ALA A 36 5.705 -6.800 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 36 4.604 -8.206 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.054 -6.288 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.753 -5.781 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.880 -5.504 -9.414 1.00 0.00 H new ATOM 514 N TYR A 37 2.624 -9.094 -9.418 1.00 0.00 N ATOM 515 CA TYR A 37 1.568 -9.763 -10.168 1.00 0.00 C ATOM 516 C TYR A 37 0.261 -8.980 -10.086 1.00 0.00 C ATOM 517 O TYR A 37 -0.268 -8.749 -8.999 1.00 0.00 O ATOM 518 CB TYR A 37 1.359 -11.183 -9.639 1.00 0.00 C ATOM 519 CG TYR A 37 2.473 -12.137 -10.007 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.783 -11.891 -9.613 1.00 0.00 C ATOM 521 CD2 TYR A 37 2.217 -13.283 -10.750 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.805 -12.759 -9.947 1.00 0.00 C ATOM 523 CE2 TYR A 37 3.232 -14.157 -11.087 1.00 0.00 C ATOM 524 CZ TYR A 37 4.524 -13.890 -10.684 1.00 0.00 C ATOM 525 OH TYR A 37 5.538 -14.758 -11.019 1.00 0.00 O ATOM 0 H TYR A 37 2.716 -9.405 -8.451 1.00 0.00 H new ATOM 0 HA TYR A 37 1.875 -9.813 -11.213 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.267 -11.147 -8.554 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.417 -11.571 -10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.006 -11.006 -9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.207 -13.494 -11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.817 -12.553 -9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.015 -15.045 -11.663 1.00 0.00 H new ATOM 0 HH TYR A 37 5.172 -15.504 -11.538 1.00 0.00 H new ATOM 535 N GLN A 38 -0.253 -8.576 -11.243 1.00 0.00 N ATOM 536 CA GLN A 38 -1.497 -7.819 -11.302 1.00 0.00 C ATOM 537 C GLN A 38 -2.641 -8.691 -11.811 1.00 0.00 C ATOM 538 O GLN A 38 -2.475 -9.457 -12.761 1.00 0.00 O ATOM 539 CB GLN A 38 -1.332 -6.596 -12.206 1.00 0.00 C ATOM 540 CG GLN A 38 -2.553 -5.690 -12.232 1.00 0.00 C ATOM 541 CD GLN A 38 -2.530 -4.648 -11.131 1.00 0.00 C ATOM 542 OE1 GLN A 38 -3.256 -4.757 -10.143 1.00 0.00 O ATOM 543 NE2 GLN A 38 -1.695 -3.630 -11.297 1.00 0.00 N ATOM 0 H GLN A 38 0.173 -8.760 -12.151 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.739 -7.486 -10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.470 -6.020 -11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.117 -6.931 -13.221 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.609 -5.190 -13.199 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.453 -6.297 -12.134 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.111 -3.580 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.637 -2.898 -10.590 1.00 0.00 H new ATOM 552 N ARG A 39 -3.800 -8.569 -11.174 1.00 0.00 N ATOM 553 CA ARG A 39 -4.971 -9.347 -11.561 1.00 0.00 C ATOM 554 C ARG A 39 -5.847 -8.563 -12.534 1.00 0.00 C ATOM 555 O ARG A 39 -5.683 -7.354 -12.699 1.00 0.00 O ATOM 556 CB ARG A 39 -5.784 -9.734 -10.325 1.00 0.00 C ATOM 557 CG ARG A 39 -6.538 -11.045 -10.477 1.00 0.00 C ATOM 558 CD ARG A 39 -7.156 -11.489 -9.161 1.00 0.00 C ATOM 559 NE ARG A 39 -8.372 -10.743 -8.848 1.00 0.00 N ATOM 560 CZ ARG A 39 -9.572 -11.064 -9.318 1.00 0.00 C ATOM 561 NH1 ARG A 39 -9.717 -12.112 -10.116 1.00 0.00 N ATOM 562 NH2 ARG A 39 -10.631 -10.335 -8.988 1.00 0.00 N ATOM 0 H ARG A 39 -3.954 -7.939 -10.387 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.626 -10.253 -12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.114 -9.807 -9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.496 -8.939 -10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.320 -10.931 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.859 -11.816 -10.840 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.386 -12.553 -9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.432 -11.356 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.295 -9.931 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.906 -12.675 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.640 -12.356 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.523 -9.528 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.553 -10.582 -9.349 1.00 0.00 H new ATOM 576 N LYS A 40 -6.777 -9.260 -13.178 1.00 0.00 N ATOM 577 CA LYS A 40 -7.680 -8.632 -14.135 1.00 0.00 C ATOM 578 C LYS A 40 -8.540 -7.572 -13.455 1.00 0.00 C ATOM 579 O LYS A 40 -8.904 -7.708 -12.288 1.00 0.00 O ATOM 580 CB LYS A 40 -8.574 -9.685 -14.792 1.00 0.00 C ATOM 581 CG LYS A 40 -7.904 -10.422 -15.938 1.00 0.00 C ATOM 582 CD LYS A 40 -8.590 -11.747 -16.227 1.00 0.00 C ATOM 583 CE LYS A 40 -9.719 -11.582 -17.233 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.973 -11.104 -16.586 1.00 0.00 N ATOM 0 H LYS A 40 -6.925 -10.262 -13.054 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.076 -8.148 -14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.884 -10.408 -14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.479 -9.202 -15.161 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.922 -9.799 -16.832 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.856 -10.599 -15.695 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.860 -12.460 -16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.985 -12.163 -15.300 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.417 -10.875 -18.006 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.906 -12.535 -17.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.790 -11.381 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.060 -11.529 -15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.946 -10.068 -16.499 1.00 0.00 H new ATOM 598 N GLY A 41 -8.864 -6.515 -14.194 1.00 0.00 N ATOM 599 CA GLY A 41 -9.681 -5.448 -13.646 1.00 0.00 C ATOM 600 C GLY A 41 -9.413 -5.211 -12.173 1.00 0.00 C ATOM 601 O GLY A 41 -10.343 -5.139 -11.369 1.00 0.00 O ATOM 0 H GLY A 41 -8.575 -6.379 -15.163 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.491 -4.528 -14.199 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.734 -5.692 -13.786 1.00 0.00 H new ATOM 605 N SER A 42 -8.138 -5.091 -11.817 1.00 0.00 N ATOM 606 CA SER A 42 -7.750 -4.867 -10.429 1.00 0.00 C ATOM 607 C SER A 42 -6.546 -3.932 -10.346 1.00 0.00 C ATOM 608 O SER A 42 -5.771 -3.816 -11.294 1.00 0.00 O ATOM 609 CB SER A 42 -7.425 -6.197 -9.747 1.00 0.00 C ATOM 610 OG SER A 42 -8.600 -6.958 -9.528 1.00 0.00 O ATOM 0 H SER A 42 -7.356 -5.145 -12.470 1.00 0.00 H new ATOM 0 HA SER A 42 -8.589 -4.398 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.730 -6.766 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.927 -6.009 -8.796 1.00 0.00 H new ATOM 0 HG SER A 42 -8.900 -7.348 -10.376 1.00 0.00 H new ATOM 616 N ALA A 43 -6.399 -3.269 -9.204 1.00 0.00 N ATOM 617 CA ALA A 43 -5.290 -2.346 -8.995 1.00 0.00 C ATOM 618 C ALA A 43 -4.275 -2.920 -8.012 1.00 0.00 C ATOM 619 O ALA A 43 -3.082 -2.995 -8.308 1.00 0.00 O ATOM 620 CB ALA A 43 -5.806 -1.003 -8.499 1.00 0.00 C ATOM 0 H ALA A 43 -7.033 -3.354 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.788 -2.199 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.967 -0.324 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.486 -0.579 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.335 -1.142 -7.556 1.00 0.00 H new ATOM 626 N HIS A 44 -4.757 -3.325 -6.841 1.00 0.00 N ATOM 627 CA HIS A 44 -3.891 -3.893 -5.814 1.00 0.00 C ATOM 628 C HIS A 44 -2.851 -4.823 -6.433 1.00 0.00 C ATOM 629 O HIS A 44 -3.193 -5.763 -7.150 1.00 0.00 O ATOM 630 CB HIS A 44 -4.722 -4.654 -4.780 1.00 0.00 C ATOM 631 CG HIS A 44 -5.832 -3.841 -4.188 1.00 0.00 C ATOM 632 ND1 HIS A 44 -7.148 -4.250 -4.192 1.00 0.00 N ATOM 633 CD2 HIS A 44 -5.815 -2.638 -3.569 1.00 0.00 C ATOM 634 CE1 HIS A 44 -7.894 -3.332 -3.602 1.00 0.00 C ATOM 635 NE2 HIS A 44 -7.108 -2.344 -3.215 1.00 0.00 N ATOM 0 H HIS A 44 -5.742 -3.270 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.370 -3.073 -5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.144 -5.543 -5.248 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.066 -4.996 -3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.946 -2.023 -3.387 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.964 -3.382 -3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.413 -1.499 -2.731 1.00 0.00 H new ATOM 644 N LEU A 45 -1.581 -4.553 -6.151 1.00 0.00 N ATOM 645 CA LEU A 45 -0.491 -5.364 -6.681 1.00 0.00 C ATOM 646 C LEU A 45 -0.173 -6.526 -5.745 1.00 0.00 C ATOM 647 O LEU A 45 -0.678 -6.591 -4.624 1.00 0.00 O ATOM 648 CB LEU A 45 0.757 -4.505 -6.888 1.00 0.00 C ATOM 649 CG LEU A 45 0.777 -3.644 -8.152 1.00 0.00 C ATOM 650 CD1 LEU A 45 1.998 -2.738 -8.162 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.752 -4.522 -9.395 1.00 0.00 C ATOM 0 H LEU A 45 -1.281 -3.779 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.807 -5.771 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.870 -3.850 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.627 -5.162 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.115 -3.017 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.995 -2.133 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.973 -2.085 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.902 -3.346 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.767 -3.893 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.625 -5.174 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.154 -5.128 -9.394 1.00 0.00 H new ATOM 663 N PHE A 46 0.671 -7.441 -6.211 1.00 0.00 N ATOM 664 CA PHE A 46 1.058 -8.600 -5.415 1.00 0.00 C ATOM 665 C PHE A 46 2.530 -8.941 -5.632 1.00 0.00 C ATOM 666 O PHE A 46 3.122 -8.570 -6.645 1.00 0.00 O ATOM 667 CB PHE A 46 0.186 -9.805 -5.772 1.00 0.00 C ATOM 668 CG PHE A 46 -1.269 -9.607 -5.455 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.749 -9.835 -4.175 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.156 -9.193 -6.435 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.087 -9.655 -3.881 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.495 -9.010 -6.146 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.961 -9.241 -4.867 1.00 0.00 C ATOM 0 H PHE A 46 1.100 -7.402 -7.136 1.00 0.00 H new ATOM 0 HA PHE A 46 0.911 -8.353 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.292 -10.018 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.551 -10.680 -5.234 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.070 -10.157 -3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.797 -9.011 -7.437 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.449 -9.838 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.176 -8.687 -6.919 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.007 -9.098 -4.638 1.00 0.00 H new ATOM 683 N CYS A 47 3.114 -9.650 -4.672 1.00 0.00 N ATOM 684 CA CYS A 47 4.516 -10.041 -4.754 1.00 0.00 C ATOM 685 C CYS A 47 4.698 -11.210 -5.718 1.00 0.00 C ATOM 686 O CYS A 47 5.703 -11.295 -6.424 1.00 0.00 O ATOM 687 CB CYS A 47 5.044 -10.420 -3.370 1.00 0.00 C ATOM 688 SG CYS A 47 4.400 -12.003 -2.736 1.00 0.00 S ATOM 0 H CYS A 47 2.637 -9.966 -3.827 1.00 0.00 H new ATOM 0 HA CYS A 47 5.083 -9.190 -5.130 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.132 -10.472 -3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.789 -9.628 -2.666 1.00 0.00 H new ATOM 0 HG CYS A 47 3.995 -11.847 -1.510 1.00 0.00 H new ATOM 693 N SER A 48 3.719 -12.109 -5.742 1.00 0.00 N ATOM 694 CA SER A 48 3.773 -13.275 -6.616 1.00 0.00 C ATOM 695 C SER A 48 2.376 -13.841 -6.852 1.00 0.00 C ATOM 696 O SER A 48 1.460 -13.620 -6.059 1.00 0.00 O ATOM 697 CB SER A 48 4.676 -14.351 -6.010 1.00 0.00 C ATOM 698 OG SER A 48 4.582 -15.564 -6.738 1.00 0.00 O ATOM 0 H SER A 48 2.879 -12.052 -5.166 1.00 0.00 H new ATOM 0 HA SER A 48 4.186 -12.962 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.709 -14.004 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.395 -14.524 -4.971 1.00 0.00 H new ATOM 0 HG SER A 48 5.169 -16.235 -6.332 1.00 0.00 H new ATOM 704 N THR A 49 2.219 -14.573 -7.951 1.00 0.00 N ATOM 705 CA THR A 49 0.935 -15.171 -8.294 1.00 0.00 C ATOM 706 C THR A 49 0.324 -15.887 -7.096 1.00 0.00 C ATOM 707 O THR A 49 -0.896 -15.919 -6.933 1.00 0.00 O ATOM 708 CB THR A 49 1.074 -16.169 -9.459 1.00 0.00 C ATOM 709 OG1 THR A 49 -0.169 -16.847 -9.674 1.00 0.00 O ATOM 710 CG2 THR A 49 2.169 -17.185 -9.174 1.00 0.00 C ATOM 0 H THR A 49 2.966 -14.766 -8.619 1.00 0.00 H new ATOM 0 HA THR A 49 0.278 -14.356 -8.600 1.00 0.00 H new ATOM 0 HB THR A 49 1.343 -15.611 -10.356 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.073 -17.479 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.248 -17.879 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.119 -16.668 -9.040 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.926 -17.737 -8.266 1.00 0.00 H new ATOM 718 N THR A 50 1.180 -16.462 -6.256 1.00 0.00 N ATOM 719 CA THR A 50 0.724 -17.179 -5.072 1.00 0.00 C ATOM 720 C THR A 50 -0.212 -16.317 -4.234 1.00 0.00 C ATOM 721 O THR A 50 -1.140 -16.823 -3.602 1.00 0.00 O ATOM 722 CB THR A 50 1.909 -17.631 -4.198 1.00 0.00 C ATOM 723 OG1 THR A 50 1.426 -18.272 -3.012 1.00 0.00 O ATOM 724 CG2 THR A 50 2.784 -16.445 -3.819 1.00 0.00 C ATOM 0 H THR A 50 2.193 -16.445 -6.374 1.00 0.00 H new ATOM 0 HA THR A 50 0.185 -18.059 -5.423 1.00 0.00 H new ATOM 0 HB THR A 50 2.509 -18.336 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.185 -18.558 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.614 -16.788 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.173 -15.976 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.192 -15.720 -3.260 1.00 0.00 H new ATOM 732 N CYS A 51 0.035 -15.012 -4.233 1.00 0.00 N ATOM 733 CA CYS A 51 -0.786 -14.077 -3.472 1.00 0.00 C ATOM 734 C CYS A 51 -1.914 -13.518 -4.334 1.00 0.00 C ATOM 735 O CYS A 51 -3.087 -13.594 -3.966 1.00 0.00 O ATOM 736 CB CYS A 51 0.074 -12.933 -2.932 1.00 0.00 C ATOM 737 SG CYS A 51 1.122 -13.394 -1.515 1.00 0.00 S ATOM 0 H CYS A 51 0.798 -14.577 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.227 -14.617 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.710 -12.561 -3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.578 -12.111 -2.636 1.00 0.00 H new ATOM 0 HG CYS A 51 2.346 -13.017 -1.740 1.00 0.00 H new ATOM 742 N LEU A 52 -1.551 -12.957 -5.482 1.00 0.00 N ATOM 743 CA LEU A 52 -2.532 -12.384 -6.397 1.00 0.00 C ATOM 744 C LEU A 52 -3.783 -13.254 -6.468 1.00 0.00 C ATOM 745 O LEU A 52 -4.903 -12.746 -6.514 1.00 0.00 O ATOM 746 CB LEU A 52 -1.926 -12.228 -7.793 1.00 0.00 C ATOM 747 CG LEU A 52 -2.917 -12.205 -8.957 1.00 0.00 C ATOM 748 CD1 LEU A 52 -2.416 -11.296 -10.068 1.00 0.00 C ATOM 749 CD2 LEU A 52 -3.154 -13.613 -9.483 1.00 0.00 C ATOM 0 H LEU A 52 -0.585 -12.887 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.815 -11.402 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.349 -11.304 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.224 -13.046 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.866 -11.810 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.135 -11.293 -10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.299 -10.283 -9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.455 -11.660 -10.430 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.862 -13.578 -10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.211 -14.035 -9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.559 -14.236 -8.686 1.00 0.00 H new ATOM 761 N SER A 53 -3.584 -14.569 -6.475 1.00 0.00 N ATOM 762 CA SER A 53 -4.696 -15.510 -6.542 1.00 0.00 C ATOM 763 C SER A 53 -5.247 -15.800 -5.149 1.00 0.00 C ATOM 764 O SER A 53 -6.454 -15.732 -4.921 1.00 0.00 O ATOM 765 CB SER A 53 -4.249 -16.813 -7.207 1.00 0.00 C ATOM 766 OG SER A 53 -5.336 -17.711 -7.350 1.00 0.00 O ATOM 0 H SER A 53 -2.663 -15.006 -6.435 1.00 0.00 H new ATOM 0 HA SER A 53 -5.487 -15.058 -7.140 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.820 -16.597 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.464 -17.279 -6.611 1.00 0.00 H new ATOM 0 HG SER A 53 -5.025 -18.535 -7.779 1.00 0.00 H new ATOM 772 N SER A 54 -4.352 -16.122 -4.221 1.00 0.00 N ATOM 773 CA SER A 54 -4.747 -16.427 -2.851 1.00 0.00 C ATOM 774 C SER A 54 -5.734 -15.388 -2.327 1.00 0.00 C ATOM 775 O SER A 54 -6.754 -15.730 -1.729 1.00 0.00 O ATOM 776 CB SER A 54 -3.517 -16.481 -1.943 1.00 0.00 C ATOM 777 OG SER A 54 -3.893 -16.599 -0.581 1.00 0.00 O ATOM 0 H SER A 54 -3.348 -16.178 -4.393 1.00 0.00 H new ATOM 0 HA SER A 54 -5.235 -17.402 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.890 -17.327 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.919 -15.580 -2.082 1.00 0.00 H new ATOM 0 HG SER A 54 -3.089 -16.633 -0.021 1.00 0.00 H new ATOM 783 N PHE A 55 -5.422 -14.116 -2.556 1.00 0.00 N ATOM 784 CA PHE A 55 -6.280 -13.026 -2.107 1.00 0.00 C ATOM 785 C PHE A 55 -7.747 -13.333 -2.396 1.00 0.00 C ATOM 786 O PHE A 55 -8.599 -13.233 -1.514 1.00 0.00 O ATOM 787 CB PHE A 55 -5.877 -11.717 -2.789 1.00 0.00 C ATOM 788 CG PHE A 55 -6.491 -10.499 -2.160 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.958 -9.958 -1.002 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.603 -9.897 -2.727 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.520 -8.836 -0.421 1.00 0.00 C ATOM 792 CE2 PHE A 55 -8.170 -8.776 -2.151 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.628 -8.246 -0.996 1.00 0.00 C ATOM 0 H PHE A 55 -4.582 -13.815 -3.050 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.155 -12.920 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.791 -11.622 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.167 -11.759 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.093 -10.418 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.031 -10.308 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.093 -8.422 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.036 -8.315 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.071 -7.371 -0.543 1.00 0.00 H new ATOM 803 N SER A 56 -8.032 -13.708 -3.639 1.00 0.00 N ATOM 804 CA SER A 56 -9.396 -14.025 -4.048 1.00 0.00 C ATOM 805 C SER A 56 -10.146 -14.738 -2.927 1.00 0.00 C ATOM 806 O SER A 56 -11.308 -14.438 -2.654 1.00 0.00 O ATOM 807 CB SER A 56 -9.384 -14.898 -5.305 1.00 0.00 C ATOM 808 OG SER A 56 -9.065 -16.242 -4.989 1.00 0.00 O ATOM 0 H SER A 56 -7.337 -13.800 -4.380 1.00 0.00 H new ATOM 0 HA SER A 56 -9.910 -13.090 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.359 -14.857 -5.790 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.658 -14.506 -6.017 1.00 0.00 H new ATOM 0 HG SER A 56 -8.093 -16.336 -4.903 1.00 0.00 H new