USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 561 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 43 TYR OH : rot -136:sc= 0.742 USER MOD Set 1.2: A 84 HIS :FLIP no HD1:sc= -0.0554 F(o=-1.2,f=0.69) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -111:sc= 0.123 (180deg=-0.81) USER MOD Set 2.2: A 62 CYS SG : rot -35:sc= -0.602! USER MOD Set 3.1: A 56 MET CE :methyl -164:sc= -3.41 (180deg=-3.89!) USER MOD Set 3.2: A 64 MET CE :methyl -151:sc= -0.777 (180deg=-3.29!) USER MOD Set 4.1: A 29 GLN : amide:sc= -2.13 K(o=-4.8,f=-6.2!) USER MOD Set 4.2: A 55 ASN : amide:sc= -2.64 K(o=-4.8,f=-6.2!) USER MOD Single : A 25 THR OG1 : rot -85:sc= 0.0298 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 31 HIS : no HD1:sc= -2.51! X(o=-2.5!,f=-2.5) USER MOD Single : A 34 GLN : amide:sc= -0.0643 X(o=-0.064,f=-0.41) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -78:sc= 1.21 USER MOD Single : A 54 GLN : amide:sc= -0.0234 K(o=-0.023,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 0.257 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.3!) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= -0.465 (180deg=-0.467) USER MOD Single : A 73 THR OG1 : rot 40:sc= -2.65! USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -5.59! C(o=-5.6!,f=-8.3!) USER MOD Single : A 78 THR OG1 : rot 67:sc= -0.0534 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.101 13.804 22.830 1.00 0.00 N ATOM 266 CA VAL A 20 4.780 13.147 24.092 1.00 0.00 C ATOM 267 C VAL A 20 5.971 13.171 25.043 1.00 0.00 C ATOM 268 O VAL A 20 7.128 13.230 24.627 1.00 0.00 O ATOM 269 CB VAL A 20 4.344 11.687 23.869 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.038 11.632 23.091 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.436 10.909 23.150 1.00 0.00 C ATOM 0 HA VAL A 20 3.953 13.702 24.536 1.00 0.00 H new ATOM 0 HB VAL A 20 4.179 11.223 24.841 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.746 10.592 22.943 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.260 12.152 23.650 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.171 12.113 22.122 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.111 9.879 23.001 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.635 11.371 22.183 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.345 10.919 23.751 1.00 0.00 H new ATOM 281 N PRO A 21 5.684 13.125 26.352 1.00 0.00 N ATOM 282 CA PRO A 21 6.718 13.139 27.391 1.00 0.00 C ATOM 283 C PRO A 21 7.526 11.846 27.422 1.00 0.00 C ATOM 284 O PRO A 21 7.034 10.786 27.036 1.00 0.00 O ATOM 285 CB PRO A 21 5.919 13.301 28.686 1.00 0.00 C ATOM 286 CG PRO A 21 4.572 12.748 28.371 1.00 0.00 C ATOM 287 CD PRO A 21 4.327 13.054 26.920 1.00 0.00 C ATOM 0 HA PRO A 21 7.451 13.929 27.225 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.386 12.761 29.510 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.857 14.347 28.985 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.539 11.674 28.554 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.807 13.203 29.000 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.731 12.277 26.441 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.789 13.993 26.793 1.00 0.00 H new ATOM 295 N ALA A 22 8.769 11.941 27.884 1.00 0.00 N ATOM 296 CA ALA A 22 9.643 10.778 27.968 1.00 0.00 C ATOM 297 C ALA A 22 8.961 9.630 28.703 1.00 0.00 C ATOM 298 O ALA A 22 8.670 8.589 28.113 1.00 0.00 O ATOM 299 CB ALA A 22 10.948 11.148 28.658 1.00 0.00 C ATOM 0 H ALA A 22 9.193 12.811 28.206 1.00 0.00 H new ATOM 0 HA ALA A 22 9.862 10.445 26.953 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.592 10.270 28.714 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.451 11.931 28.090 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.738 11.509 29.665 1.00 0.00 H new ATOM 305 N ASP A 23 8.709 9.825 29.992 1.00 0.00 N ATOM 306 CA ASP A 23 8.061 8.805 30.808 1.00 0.00 C ATOM 307 C ASP A 23 6.775 8.317 30.147 1.00 0.00 C ATOM 308 O ASP A 23 5.775 9.032 30.074 1.00 0.00 O ATOM 309 CB ASP A 23 7.755 9.355 32.202 1.00 0.00 C ATOM 310 CG ASP A 23 8.595 8.699 33.280 1.00 0.00 C ATOM 311 OD1 ASP A 23 8.306 7.537 33.632 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.541 9.349 33.773 1.00 0.00 O ATOM 0 H ASP A 23 8.944 10.681 30.495 1.00 0.00 H new ATOM 0 HA ASP A 23 8.744 7.961 30.901 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.932 10.431 32.212 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.699 9.203 32.426 1.00 0.00 H new ATOM 317 N PRO A 24 6.800 7.071 29.652 1.00 0.00 N ATOM 318 CA PRO A 24 5.646 6.460 28.987 1.00 0.00 C ATOM 319 C PRO A 24 4.511 6.155 29.959 1.00 0.00 C ATOM 320 O PRO A 24 3.409 5.789 29.550 1.00 0.00 O ATOM 321 CB PRO A 24 6.215 5.163 28.407 1.00 0.00 C ATOM 322 CG PRO A 24 7.383 4.840 29.275 1.00 0.00 C ATOM 323 CD PRO A 24 7.958 6.162 29.703 1.00 0.00 C ATOM 0 HA PRO A 24 5.210 7.122 28.239 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.475 4.363 28.425 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.518 5.293 27.368 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.076 4.250 30.139 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.122 4.250 28.732 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.384 6.109 30.705 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.755 6.489 29.035 1.00 0.00 H new ATOM 331 N THR A 25 4.787 6.309 31.251 1.00 0.00 N ATOM 332 CA THR A 25 3.790 6.050 32.282 1.00 0.00 C ATOM 333 C THR A 25 2.872 7.252 32.472 1.00 0.00 C ATOM 334 O THR A 25 1.734 7.111 32.922 1.00 0.00 O ATOM 335 CB THR A 25 4.452 5.706 33.629 1.00 0.00 C ATOM 336 OG1 THR A 25 5.536 6.605 33.887 1.00 0.00 O ATOM 337 CG2 THR A 25 4.964 4.273 33.630 1.00 0.00 C ATOM 0 H THR A 25 5.693 6.612 31.608 1.00 0.00 H new ATOM 0 HA THR A 25 3.202 5.196 31.946 1.00 0.00 H new ATOM 0 HB THR A 25 3.702 5.808 34.413 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.348 6.273 33.449 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.428 4.053 34.592 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.132 3.589 33.463 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.700 4.149 32.836 1.00 0.00 H new ATOM 345 N LEU A 26 3.371 8.433 32.127 1.00 0.00 N ATOM 346 CA LEU A 26 2.594 9.661 32.259 1.00 0.00 C ATOM 347 C LEU A 26 1.733 9.896 31.022 1.00 0.00 C ATOM 348 O LEU A 26 0.985 10.871 30.951 1.00 0.00 O ATOM 349 CB LEU A 26 3.524 10.855 32.482 1.00 0.00 C ATOM 350 CG LEU A 26 4.522 10.723 33.633 1.00 0.00 C ATOM 351 CD1 LEU A 26 5.566 11.826 33.563 1.00 0.00 C ATOM 352 CD2 LEU A 26 3.799 10.755 34.972 1.00 0.00 C ATOM 0 H LEU A 26 4.311 8.567 31.753 1.00 0.00 H new ATOM 0 HA LEU A 26 1.936 9.555 33.122 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.082 11.032 31.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.911 11.739 32.658 1.00 0.00 H new ATOM 0 HG LEU A 26 5.030 9.763 33.540 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.268 11.716 34.390 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.105 11.757 32.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.075 12.797 33.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.525 10.660 35.780 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.264 11.699 35.074 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.090 9.929 35.022 1.00 0.00 H new ATOM 364 N TRP A 27 1.842 8.996 30.052 1.00 0.00 N ATOM 365 CA TRP A 27 1.072 9.105 28.818 1.00 0.00 C ATOM 366 C TRP A 27 -0.420 8.948 29.093 1.00 0.00 C ATOM 367 O TRP A 27 -0.847 7.982 29.725 1.00 0.00 O ATOM 368 CB TRP A 27 1.531 8.050 27.811 1.00 0.00 C ATOM 369 CG TRP A 27 2.831 8.389 27.147 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.524 9.561 27.252 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.593 7.547 26.274 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.670 9.499 26.497 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.736 8.274 25.888 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.421 6.250 25.783 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.700 7.745 25.033 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.379 5.727 24.935 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.507 6.473 24.568 1.00 0.00 C ATOM 0 H TRP A 27 2.456 8.183 30.096 1.00 0.00 H new ATOM 0 HA TRP A 27 1.243 10.096 28.398 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.630 7.091 28.320 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.762 7.928 27.048 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.216 10.412 27.842 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.360 10.245 26.405 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.555 5.667 26.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.569 8.319 24.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.256 4.726 24.549 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.238 6.035 23.905 1.00 0.00 H new ATOM 388 N THR A 28 -1.209 9.905 28.614 1.00 0.00 N ATOM 389 CA THR A 28 -2.653 9.873 28.808 1.00 0.00 C ATOM 390 C THR A 28 -3.312 8.861 27.878 1.00 0.00 C ATOM 391 O THR A 28 -2.639 8.216 27.073 1.00 0.00 O ATOM 392 CB THR A 28 -3.283 11.258 28.570 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.270 11.568 27.172 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.532 12.334 29.340 1.00 0.00 C ATOM 0 H THR A 28 -0.872 10.712 28.089 1.00 0.00 H new ATOM 0 HA THR A 28 -2.825 9.576 29.843 1.00 0.00 H new ATOM 0 HB THR A 28 -4.313 11.230 28.926 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.674 12.449 27.029 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.995 13.303 29.156 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.568 12.111 30.406 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.493 12.360 29.010 1.00 0.00 H new ATOM 402 N GLN A 29 -4.629 8.728 27.992 1.00 0.00 N ATOM 403 CA GLN A 29 -5.377 7.793 27.160 1.00 0.00 C ATOM 404 C GLN A 29 -5.232 8.144 25.682 1.00 0.00 C ATOM 405 O GLN A 29 -5.493 7.316 24.810 1.00 0.00 O ATOM 406 CB GLN A 29 -6.855 7.797 27.554 1.00 0.00 C ATOM 407 CG GLN A 29 -7.413 6.411 27.836 1.00 0.00 C ATOM 408 CD GLN A 29 -8.862 6.444 28.281 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.760 6.728 27.488 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.096 6.153 29.555 1.00 0.00 N ATOM 0 H GLN A 29 -5.200 9.256 28.652 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.968 6.795 27.320 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.985 8.419 28.440 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.435 8.257 26.754 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.327 5.799 26.938 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.811 5.931 28.608 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.320 5.923 30.176 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.051 6.159 29.912 1.00 0.00 H new ATOM 419 N GLU A 30 -4.815 9.376 25.410 1.00 0.00 N ATOM 420 CA GLU A 30 -4.637 9.836 24.037 1.00 0.00 C ATOM 421 C GLU A 30 -3.188 9.665 23.590 1.00 0.00 C ATOM 422 O GLU A 30 -2.919 9.223 22.473 1.00 0.00 O ATOM 423 CB GLU A 30 -5.053 11.303 23.909 1.00 0.00 C ATOM 424 CG GLU A 30 -4.754 11.903 22.545 1.00 0.00 C ATOM 425 CD GLU A 30 -5.727 13.002 22.166 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.414 13.525 23.068 1.00 0.00 O ATOM 427 OE2 GLU A 30 -5.802 13.339 20.966 1.00 0.00 O ATOM 0 H GLU A 30 -4.594 10.073 26.121 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.272 9.229 23.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.121 11.388 24.108 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.539 11.886 24.674 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.740 12.304 22.543 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.788 11.117 21.791 1.00 0.00 H new ATOM 434 N HIS A 31 -2.258 10.020 24.471 1.00 0.00 N ATOM 435 CA HIS A 31 -0.835 9.906 24.167 1.00 0.00 C ATOM 436 C HIS A 31 -0.497 8.505 23.667 1.00 0.00 C ATOM 437 O HIS A 31 0.114 8.343 22.611 1.00 0.00 O ATOM 438 CB HIS A 31 -0.001 10.235 25.406 1.00 0.00 C ATOM 439 CG HIS A 31 0.247 11.700 25.590 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.556 12.263 26.810 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.231 12.720 24.700 1.00 0.00 C ATOM 442 CE1 HIS A 31 0.718 13.566 26.663 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.526 13.869 25.392 1.00 0.00 N ATOM 0 H HIS A 31 -2.463 10.388 25.400 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.597 10.620 23.378 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.509 9.847 26.289 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.957 9.719 25.337 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.025 12.644 23.643 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.965 14.265 27.449 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.587 14.804 24.990 1.00 0.00 H new ATOM 451 N VAL A 32 -0.896 7.496 24.435 1.00 0.00 N ATOM 452 CA VAL A 32 -0.635 6.109 24.070 1.00 0.00 C ATOM 453 C VAL A 32 -1.075 5.825 22.638 1.00 0.00 C ATOM 454 O VAL A 32 -0.489 4.988 21.952 1.00 0.00 O ATOM 455 CB VAL A 32 -1.355 5.133 25.019 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.185 3.699 24.542 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.839 5.296 26.441 1.00 0.00 C ATOM 0 H VAL A 32 -1.401 7.613 25.313 1.00 0.00 H new ATOM 0 HA VAL A 32 0.441 5.958 24.153 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.420 5.367 25.014 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.701 3.025 25.226 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.607 3.596 23.543 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.125 3.448 24.516 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.358 4.599 27.099 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.231 5.090 26.466 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.020 6.316 26.779 1.00 0.00 H new ATOM 467 N ARG A 33 -2.111 6.528 22.193 1.00 0.00 N ATOM 468 CA ARG A 33 -2.631 6.352 20.842 1.00 0.00 C ATOM 469 C ARG A 33 -1.719 7.020 19.817 1.00 0.00 C ATOM 470 O ARG A 33 -1.250 6.377 18.878 1.00 0.00 O ATOM 471 CB ARG A 33 -4.043 6.929 20.737 1.00 0.00 C ATOM 472 CG ARG A 33 -5.001 6.392 21.788 1.00 0.00 C ATOM 473 CD ARG A 33 -6.413 6.916 21.576 1.00 0.00 C ATOM 474 NE ARG A 33 -6.431 8.358 21.342 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.498 9.018 20.906 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.627 8.369 20.658 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.437 10.330 20.718 1.00 0.00 N ATOM 0 H ARG A 33 -2.607 7.225 22.748 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.666 5.283 20.630 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.990 8.014 20.826 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.443 6.710 19.747 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.007 5.303 21.753 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.651 6.677 22.780 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.866 6.405 20.726 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.022 6.683 22.450 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.578 8.887 21.523 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.678 7.360 20.802 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.445 8.878 20.323 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.570 10.833 20.908 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.257 10.836 20.383 1.00 0.00 H new ATOM 491 N GLN A 34 -1.474 8.313 20.005 1.00 0.00 N ATOM 492 CA GLN A 34 -0.620 9.067 19.095 1.00 0.00 C ATOM 493 C GLN A 34 0.720 8.366 18.899 1.00 0.00 C ATOM 494 O GLN A 34 1.214 8.253 17.777 1.00 0.00 O ATOM 495 CB GLN A 34 -0.395 10.483 19.630 1.00 0.00 C ATOM 496 CG GLN A 34 -1.450 11.479 19.177 1.00 0.00 C ATOM 497 CD GLN A 34 -0.920 12.898 19.105 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.171 13.140 18.589 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.692 13.845 19.624 1.00 0.00 N ATOM 0 H GLN A 34 -1.854 8.859 20.778 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.123 9.126 18.130 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.380 10.453 20.719 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.586 10.833 19.307 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.825 11.185 18.197 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.295 11.445 19.865 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.589 13.599 20.042 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.388 14.818 19.605 1.00 0.00 H new ATOM 508 N TRP A 35 1.303 7.897 19.997 1.00 0.00 N ATOM 509 CA TRP A 35 2.587 7.207 19.945 1.00 0.00 C ATOM 510 C TRP A 35 2.514 5.990 19.029 1.00 0.00 C ATOM 511 O TRP A 35 3.445 5.715 18.271 1.00 0.00 O ATOM 512 CB TRP A 35 3.016 6.779 21.349 1.00 0.00 C ATOM 513 CG TRP A 35 4.198 5.858 21.354 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.495 6.188 21.083 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.191 4.456 21.644 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.295 5.076 21.185 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.519 4.000 21.529 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.193 3.541 21.990 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.871 2.671 21.748 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.544 2.223 22.207 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.874 1.797 22.086 1.00 0.00 C ATOM 0 H TRP A 35 0.907 7.982 20.933 1.00 0.00 H new ATOM 0 HA TRP A 35 3.327 7.898 19.542 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.254 7.667 21.935 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.178 6.286 21.843 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.841 7.178 20.826 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.303 5.055 21.030 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.165 3.859 22.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.895 2.341 21.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.780 1.508 22.475 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.116 0.759 22.263 1.00 0.00 H new ATOM 532 N LEU A 36 1.404 5.264 19.104 1.00 0.00 N ATOM 533 CA LEU A 36 1.210 4.076 18.281 1.00 0.00 C ATOM 534 C LEU A 36 1.245 4.429 16.797 1.00 0.00 C ATOM 535 O LEU A 36 2.100 3.948 16.055 1.00 0.00 O ATOM 536 CB LEU A 36 -0.121 3.404 18.625 1.00 0.00 C ATOM 537 CG LEU A 36 -0.107 1.876 18.679 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.663 1.391 19.898 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.528 1.330 18.691 1.00 0.00 C ATOM 0 H LEU A 36 0.625 5.477 19.726 1.00 0.00 H new ATOM 0 HA LEU A 36 2.025 3.383 18.490 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.455 3.779 19.593 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.863 3.715 17.889 1.00 0.00 H new ATOM 0 HG LEU A 36 0.396 1.505 17.786 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.662 0.301 19.919 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.690 1.752 19.847 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.189 1.772 20.803 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.499 0.241 18.730 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.056 1.710 19.565 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.047 1.647 17.787 1.00 0.00 H new ATOM 551 N GLU A 37 0.311 5.275 16.374 1.00 0.00 N ATOM 552 CA GLU A 37 0.236 5.694 14.979 1.00 0.00 C ATOM 553 C GLU A 37 1.585 6.221 14.497 1.00 0.00 C ATOM 554 O GLU A 37 1.914 6.125 13.314 1.00 0.00 O ATOM 555 CB GLU A 37 -0.837 6.770 14.803 1.00 0.00 C ATOM 556 CG GLU A 37 -2.203 6.358 15.326 1.00 0.00 C ATOM 557 CD GLU A 37 -3.338 7.069 14.616 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.436 8.308 14.746 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.129 6.388 13.930 1.00 0.00 O ATOM 0 H GLU A 37 -0.404 5.683 16.976 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.031 4.824 14.379 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.518 7.677 15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.922 7.017 13.745 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.323 5.281 15.208 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.258 6.570 16.394 1.00 0.00 H new ATOM 566 N TRP A 38 2.360 6.778 15.420 1.00 0.00 N ATOM 567 CA TRP A 38 3.672 7.322 15.089 1.00 0.00 C ATOM 568 C TRP A 38 4.664 6.204 14.787 1.00 0.00 C ATOM 569 O TRP A 38 5.191 6.114 13.679 1.00 0.00 O ATOM 570 CB TRP A 38 4.194 8.185 16.239 1.00 0.00 C ATOM 571 CG TRP A 38 5.644 8.540 16.106 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.206 9.347 15.158 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.715 8.097 16.946 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.563 9.432 15.359 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.900 8.675 16.450 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.789 7.270 18.070 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.141 8.451 17.040 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.021 7.048 18.654 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.184 7.637 18.139 1.00 0.00 C ATOM 0 H TRP A 38 2.103 6.865 16.403 1.00 0.00 H new ATOM 0 HA TRP A 38 3.567 7.941 14.198 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.606 9.102 16.291 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.042 7.655 17.179 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.664 9.845 14.367 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.214 9.971 14.788 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.899 6.812 18.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.038 8.904 16.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.089 6.410 19.522 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.132 7.445 18.619 1.00 0.00 H new ATOM 590 N ALA A 39 4.912 5.355 15.778 1.00 0.00 N ATOM 591 CA ALA A 39 5.839 4.241 15.616 1.00 0.00 C ATOM 592 C ALA A 39 5.505 3.426 14.371 1.00 0.00 C ATOM 593 O ALA A 39 6.390 2.844 13.743 1.00 0.00 O ATOM 594 CB ALA A 39 5.820 3.354 16.852 1.00 0.00 C ATOM 0 H ALA A 39 4.484 5.417 16.702 1.00 0.00 H new ATOM 0 HA ALA A 39 6.842 4.650 15.492 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.517 2.527 16.717 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.115 3.938 17.724 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.815 2.961 17.002 1.00 0.00 H new ATOM 600 N ILE A 40 4.224 3.386 14.022 1.00 0.00 N ATOM 601 CA ILE A 40 3.774 2.642 12.852 1.00 0.00 C ATOM 602 C ILE A 40 4.235 3.313 11.563 1.00 0.00 C ATOM 603 O ILE A 40 4.785 2.663 10.674 1.00 0.00 O ATOM 604 CB ILE A 40 2.240 2.506 12.827 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.751 1.763 14.072 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.792 1.786 11.564 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.344 2.133 14.484 1.00 0.00 C ATOM 0 H ILE A 40 3.479 3.860 14.533 1.00 0.00 H new ATOM 0 HA ILE A 40 4.217 1.649 12.920 1.00 0.00 H new ATOM 0 HB ILE A 40 1.802 3.504 12.827 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.796 0.690 13.886 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.430 1.971 14.899 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.706 1.698 11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.112 2.352 10.689 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.237 0.791 11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.065 1.568 15.373 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.298 3.200 14.703 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.346 1.899 13.673 1.00 0.00 H new ATOM 619 N LYS A 41 4.008 4.618 11.468 1.00 0.00 N ATOM 620 CA LYS A 41 4.402 5.380 10.289 1.00 0.00 C ATOM 621 C LYS A 41 5.914 5.583 10.252 1.00 0.00 C ATOM 622 O LYS A 41 6.483 5.880 9.203 1.00 0.00 O ATOM 623 CB LYS A 41 3.695 6.737 10.273 1.00 0.00 C ATOM 624 CG LYS A 41 4.097 7.646 11.422 1.00 0.00 C ATOM 625 CD LYS A 41 3.562 9.056 11.231 1.00 0.00 C ATOM 626 CE LYS A 41 2.407 9.347 12.176 1.00 0.00 C ATOM 627 NZ LYS A 41 1.577 10.489 11.703 1.00 0.00 N ATOM 0 H LYS A 41 3.553 5.171 12.194 1.00 0.00 H new ATOM 0 HA LYS A 41 4.107 4.813 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.912 7.239 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.617 6.576 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.721 7.237 12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.184 7.676 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.363 9.776 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.231 9.184 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.782 8.459 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.798 9.569 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.800 10.655 12.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.167 11.343 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.183 10.267 10.766 1.00 0.00 H new ATOM 641 N GLU A 42 6.557 5.418 11.404 1.00 0.00 N ATOM 642 CA GLU A 42 8.002 5.582 11.502 1.00 0.00 C ATOM 643 C GLU A 42 8.722 4.280 11.163 1.00 0.00 C ATOM 644 O GLU A 42 9.580 4.244 10.281 1.00 0.00 O ATOM 645 CB GLU A 42 8.392 6.041 12.909 1.00 0.00 C ATOM 646 CG GLU A 42 9.891 6.192 13.106 1.00 0.00 C ATOM 647 CD GLU A 42 10.298 7.620 13.414 1.00 0.00 C ATOM 648 OE1 GLU A 42 10.028 8.506 12.576 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.886 7.851 14.490 1.00 0.00 O ATOM 0 H GLU A 42 6.100 5.171 12.282 1.00 0.00 H new ATOM 0 HA GLU A 42 8.304 6.343 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.909 6.995 13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.009 5.324 13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.214 5.543 13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.407 5.857 12.207 1.00 0.00 H new ATOM 656 N TYR A 43 8.366 3.213 11.869 1.00 0.00 N ATOM 657 CA TYR A 43 8.979 1.909 11.646 1.00 0.00 C ATOM 658 C TYR A 43 8.231 1.133 10.566 1.00 0.00 C ATOM 659 O TYR A 43 8.507 -0.043 10.327 1.00 0.00 O ATOM 660 CB TYR A 43 9.002 1.103 12.945 1.00 0.00 C ATOM 661 CG TYR A 43 9.561 1.869 14.123 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.723 2.621 14.000 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.927 1.841 15.359 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.238 3.321 15.073 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.435 2.539 16.438 1.00 0.00 C ATOM 666 CZ TYR A 43 10.590 3.277 16.290 1.00 0.00 C ATOM 667 OH TYR A 43 11.099 3.975 17.361 1.00 0.00 O ATOM 0 H TYR A 43 7.656 3.225 12.601 1.00 0.00 H new ATOM 0 HA TYR A 43 10.003 2.071 11.309 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.988 0.780 13.180 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.596 0.202 12.793 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.232 2.659 13.048 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.022 1.264 15.478 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.143 3.900 14.960 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.930 2.507 17.392 1.00 0.00 H new ATOM 0 HH TYR A 43 11.062 3.415 18.164 1.00 0.00 H new ATOM 677 N SER A 44 7.283 1.801 9.916 1.00 0.00 N ATOM 678 CA SER A 44 6.492 1.174 8.863 1.00 0.00 C ATOM 679 C SER A 44 5.891 -0.142 9.345 1.00 0.00 C ATOM 680 O SER A 44 6.263 -1.218 8.874 1.00 0.00 O ATOM 681 CB SER A 44 7.356 0.930 7.624 1.00 0.00 C ATOM 682 OG SER A 44 7.659 2.148 6.965 1.00 0.00 O ATOM 0 H SER A 44 7.044 2.775 10.100 1.00 0.00 H new ATOM 0 HA SER A 44 5.678 1.851 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.280 0.430 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.834 0.262 6.939 1.00 0.00 H new ATOM 0 HG SER A 44 8.213 1.965 6.178 1.00 0.00 H new ATOM 688 N LEU A 45 4.960 -0.050 10.288 1.00 0.00 N ATOM 689 CA LEU A 45 4.306 -1.233 10.837 1.00 0.00 C ATOM 690 C LEU A 45 2.942 -1.449 10.190 1.00 0.00 C ATOM 691 O LEU A 45 2.302 -0.501 9.736 1.00 0.00 O ATOM 692 CB LEU A 45 4.149 -1.097 12.352 1.00 0.00 C ATOM 693 CG LEU A 45 5.415 -0.730 13.128 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.129 -0.673 14.620 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.527 -1.726 12.834 1.00 0.00 C ATOM 0 H LEU A 45 4.641 0.832 10.689 1.00 0.00 H new ATOM 0 HA LEU A 45 4.932 -2.098 10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.392 -0.339 12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.767 -2.040 12.744 1.00 0.00 H new ATOM 0 HG LEU A 45 5.743 0.258 12.804 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.041 -0.411 15.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.364 0.079 14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.776 -1.646 14.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.420 -1.450 13.394 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.208 -2.725 13.130 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.751 -1.717 11.767 1.00 0.00 H new ATOM 707 N MET A 46 2.502 -2.703 10.154 1.00 0.00 N ATOM 708 CA MET A 46 1.211 -3.043 9.566 1.00 0.00 C ATOM 709 C MET A 46 0.545 -4.178 10.337 1.00 0.00 C ATOM 710 O MET A 46 1.182 -4.843 11.153 1.00 0.00 O ATOM 711 CB MET A 46 1.384 -3.439 8.098 1.00 0.00 C ATOM 712 CG MET A 46 2.054 -2.367 7.254 1.00 0.00 C ATOM 713 SD MET A 46 1.513 -2.398 5.535 1.00 0.00 S ATOM 714 CE MET A 46 2.485 -1.058 4.850 1.00 0.00 C ATOM 0 H MET A 46 3.020 -3.500 10.525 1.00 0.00 H new ATOM 0 HA MET A 46 0.570 -2.164 9.624 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.974 -4.354 8.044 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.406 -3.665 7.674 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.839 -1.387 7.681 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.135 -2.502 7.293 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.261 -0.952 3.789 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.241 -0.130 5.367 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.545 -1.276 4.977 1.00 0.00 H new ATOM 724 N GLU A 47 -0.740 -4.394 10.071 1.00 0.00 N ATOM 725 CA GLU A 47 -1.491 -5.448 10.742 1.00 0.00 C ATOM 726 C GLU A 47 -1.575 -5.187 12.243 1.00 0.00 C ATOM 727 O GLU A 47 -1.637 -6.120 13.044 1.00 0.00 O ATOM 728 CB GLU A 47 -0.841 -6.810 10.486 1.00 0.00 C ATOM 729 CG GLU A 47 -0.516 -7.064 9.024 1.00 0.00 C ATOM 730 CD GLU A 47 -1.094 -8.372 8.517 1.00 0.00 C ATOM 731 OE1 GLU A 47 -0.861 -9.414 9.164 1.00 0.00 O ATOM 732 OE2 GLU A 47 -1.779 -8.352 7.473 1.00 0.00 O ATOM 0 H GLU A 47 -1.282 -3.854 9.396 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.502 -5.453 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.076 -6.881 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.508 -7.594 10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.903 -6.242 8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.566 -7.074 8.892 1.00 0.00 H new ATOM 739 N ILE A 48 -1.577 -3.911 12.616 1.00 0.00 N ATOM 740 CA ILE A 48 -1.654 -3.526 14.019 1.00 0.00 C ATOM 741 C ILE A 48 -3.048 -3.021 14.375 1.00 0.00 C ATOM 742 O ILE A 48 -3.648 -2.248 13.629 1.00 0.00 O ATOM 743 CB ILE A 48 -0.622 -2.436 14.362 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.554 -2.224 15.875 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.971 -1.135 13.654 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.827 -1.860 16.374 1.00 0.00 C ATOM 0 H ILE A 48 -1.526 -3.127 11.966 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.434 -4.419 14.603 1.00 0.00 H new ATOM 0 HB ILE A 48 0.359 -2.764 14.016 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.252 -1.435 16.155 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.884 -3.134 16.376 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.232 -0.374 13.906 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.972 -1.296 12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.959 -0.801 13.972 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.799 -1.725 17.455 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.526 -2.659 16.126 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.152 -0.933 15.901 1.00 0.00 H new ATOM 758 N ASP A 49 -3.556 -3.462 15.521 1.00 0.00 N ATOM 759 CA ASP A 49 -4.879 -3.052 15.978 1.00 0.00 C ATOM 760 C ASP A 49 -4.780 -1.873 16.941 1.00 0.00 C ATOM 761 O ASP A 49 -4.690 -2.055 18.155 1.00 0.00 O ATOM 762 CB ASP A 49 -5.593 -4.222 16.656 1.00 0.00 C ATOM 763 CG ASP A 49 -7.097 -4.167 16.474 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.577 -4.548 15.386 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.794 -3.742 17.420 1.00 0.00 O ATOM 0 H ASP A 49 -3.072 -4.103 16.150 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.456 -2.740 15.108 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.215 -5.160 16.249 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.359 -4.219 17.720 1.00 0.00 H new ATOM 770 N THR A 50 -4.796 -0.663 16.390 1.00 0.00 N ATOM 771 CA THR A 50 -4.706 0.546 17.200 1.00 0.00 C ATOM 772 C THR A 50 -5.920 0.690 18.110 1.00 0.00 C ATOM 773 O THR A 50 -5.857 1.354 19.145 1.00 0.00 O ATOM 774 CB THR A 50 -4.587 1.804 16.319 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.783 1.980 15.552 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.391 1.699 15.385 1.00 0.00 C ATOM 0 H THR A 50 -4.870 -0.494 15.387 1.00 0.00 H new ATOM 0 HA THR A 50 -3.808 0.452 17.810 1.00 0.00 H new ATOM 0 HB THR A 50 -4.444 2.665 16.972 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.700 2.783 14.996 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.327 2.599 14.773 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.479 1.594 15.972 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.509 0.829 14.740 1.00 0.00 H new ATOM 784 N SER A 51 -7.025 0.064 17.719 1.00 0.00 N ATOM 785 CA SER A 51 -8.255 0.125 18.499 1.00 0.00 C ATOM 786 C SER A 51 -8.047 -0.466 19.890 1.00 0.00 C ATOM 787 O SER A 51 -8.749 -0.114 20.838 1.00 0.00 O ATOM 788 CB SER A 51 -9.379 -0.623 17.778 1.00 0.00 C ATOM 789 OG SER A 51 -9.613 -1.887 18.373 1.00 0.00 O ATOM 0 H SER A 51 -7.094 -0.491 16.866 1.00 0.00 H new ATOM 0 HA SER A 51 -8.536 1.173 18.607 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.293 -0.029 17.807 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.118 -0.754 16.728 1.00 0.00 H new ATOM 0 HG SER A 51 -8.926 -2.520 18.077 1.00 0.00 H new ATOM 795 N PHE A 52 -7.076 -1.366 20.004 1.00 0.00 N ATOM 796 CA PHE A 52 -6.775 -2.008 21.278 1.00 0.00 C ATOM 797 C PHE A 52 -6.152 -1.014 22.254 1.00 0.00 C ATOM 798 O PHE A 52 -6.241 -1.181 23.470 1.00 0.00 O ATOM 799 CB PHE A 52 -5.829 -3.192 21.066 1.00 0.00 C ATOM 800 CG PHE A 52 -5.874 -4.202 22.176 1.00 0.00 C ATOM 801 CD1 PHE A 52 -6.833 -5.202 22.182 1.00 0.00 C ATOM 802 CD2 PHE A 52 -4.958 -4.152 23.214 1.00 0.00 C ATOM 803 CE1 PHE A 52 -6.878 -6.132 23.203 1.00 0.00 C ATOM 804 CE2 PHE A 52 -4.997 -5.080 24.238 1.00 0.00 C ATOM 805 CZ PHE A 52 -5.958 -6.072 24.232 1.00 0.00 C ATOM 0 H PHE A 52 -6.484 -1.667 19.230 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.711 -2.371 21.703 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.081 -3.685 20.127 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.810 -2.819 20.966 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.554 -5.255 21.379 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.204 -3.379 23.223 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.632 -6.905 23.197 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.277 -5.029 25.041 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.990 -6.799 25.030 1.00 0.00 H new ATOM 815 N PHE A 53 -5.520 0.022 21.711 1.00 0.00 N ATOM 816 CA PHE A 53 -4.881 1.044 22.532 1.00 0.00 C ATOM 817 C PHE A 53 -5.683 2.341 22.509 1.00 0.00 C ATOM 818 O PHE A 53 -5.210 3.383 22.960 1.00 0.00 O ATOM 819 CB PHE A 53 -3.455 1.304 22.041 1.00 0.00 C ATOM 820 CG PHE A 53 -2.624 0.058 21.927 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.716 -0.753 20.807 1.00 0.00 C ATOM 822 CD2 PHE A 53 -1.749 -0.302 22.940 1.00 0.00 C ATOM 823 CE1 PHE A 53 -1.952 -1.899 20.699 1.00 0.00 C ATOM 824 CE2 PHE A 53 -0.983 -1.447 22.837 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.085 -2.247 21.716 1.00 0.00 C ATOM 0 H PHE A 53 -5.437 0.176 20.706 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.844 0.679 23.558 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.498 1.793 21.068 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.965 1.997 22.725 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.393 -0.486 20.009 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.665 0.319 23.819 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.033 -2.522 19.820 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.305 -1.716 23.633 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.488 -3.143 21.635 1.00 0.00 H new ATOM 835 N GLN A 54 -6.900 2.268 21.980 1.00 0.00 N ATOM 836 CA GLN A 54 -7.769 3.436 21.897 1.00 0.00 C ATOM 837 C GLN A 54 -8.100 3.968 23.287 1.00 0.00 C ATOM 838 O GLN A 54 -8.378 5.154 23.459 1.00 0.00 O ATOM 839 CB GLN A 54 -9.057 3.089 21.150 1.00 0.00 C ATOM 840 CG GLN A 54 -10.025 2.247 21.966 1.00 0.00 C ATOM 841 CD GLN A 54 -11.175 1.711 21.137 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.191 1.851 19.913 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.146 1.092 21.799 1.00 0.00 N ATOM 0 H GLN A 54 -7.307 1.412 21.602 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.238 4.213 21.347 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.554 4.012 20.851 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.804 2.553 20.235 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.486 1.413 22.414 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.421 2.847 22.785 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.092 0.998 22.813 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.945 0.710 21.293 1.00 0.00 H new ATOM 852 N ASN A 55 -8.069 3.082 24.277 1.00 0.00 N ATOM 853 CA ASN A 55 -8.367 3.462 25.653 1.00 0.00 C ATOM 854 C ASN A 55 -7.373 2.827 26.621 1.00 0.00 C ATOM 855 O ASN A 55 -7.745 2.390 27.710 1.00 0.00 O ATOM 856 CB ASN A 55 -9.793 3.045 26.022 1.00 0.00 C ATOM 857 CG ASN A 55 -10.355 3.862 27.169 1.00 0.00 C ATOM 858 OD1 ASN A 55 -9.840 3.821 28.286 1.00 0.00 O ATOM 859 ND2 ASN A 55 -11.419 4.610 26.897 1.00 0.00 N ATOM 0 H ASN A 55 -7.840 2.096 24.152 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.281 4.546 25.731 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.438 3.156 25.150 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.801 1.989 26.293 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.842 5.181 27.629 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.813 4.613 25.956 1.00 0.00 H new ATOM 866 N MET A 56 -6.109 2.780 26.215 1.00 0.00 N ATOM 867 CA MET A 56 -5.061 2.199 27.047 1.00 0.00 C ATOM 868 C MET A 56 -4.135 3.283 27.590 1.00 0.00 C ATOM 869 O MET A 56 -3.245 3.762 26.887 1.00 0.00 O ATOM 870 CB MET A 56 -4.253 1.176 26.247 1.00 0.00 C ATOM 871 CG MET A 56 -3.224 0.429 27.080 1.00 0.00 C ATOM 872 SD MET A 56 -3.498 -1.354 27.088 1.00 0.00 S ATOM 873 CE MET A 56 -3.290 -1.735 25.350 1.00 0.00 C ATOM 0 H MET A 56 -5.785 3.137 25.316 1.00 0.00 H new ATOM 0 HA MET A 56 -5.537 1.697 27.889 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.937 0.456 25.798 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.745 1.686 25.429 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.227 0.638 26.692 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.252 0.801 28.104 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.699 -2.724 25.143 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.814 -0.992 24.749 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.229 -1.722 25.099 1.00 0.00 H new ATOM 883 N ASP A 57 -4.351 3.666 28.844 1.00 0.00 N ATOM 884 CA ASP A 57 -3.535 4.694 29.480 1.00 0.00 C ATOM 885 C ASP A 57 -2.067 4.280 29.511 1.00 0.00 C ATOM 886 O ASP A 57 -1.747 3.094 29.561 1.00 0.00 O ATOM 887 CB ASP A 57 -4.032 4.961 30.902 1.00 0.00 C ATOM 888 CG ASP A 57 -4.353 3.683 31.653 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.416 3.068 32.203 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.541 3.299 31.690 1.00 0.00 O ATOM 0 H ASP A 57 -5.084 3.280 29.440 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.624 5.609 28.894 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.273 5.520 31.450 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.923 5.588 30.861 1.00 0.00 H new ATOM 895 N GLY A 58 -1.178 5.269 29.479 1.00 0.00 N ATOM 896 CA GLY A 58 0.245 4.987 29.502 1.00 0.00 C ATOM 897 C GLY A 58 0.616 3.958 30.551 1.00 0.00 C ATOM 898 O GLY A 58 1.533 3.161 30.353 1.00 0.00 O ATOM 0 H GLY A 58 -1.418 6.259 29.438 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.557 4.630 28.521 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.792 5.910 29.694 1.00 0.00 H new ATOM 902 N LYS A 59 -0.098 3.974 31.671 1.00 0.00 N ATOM 903 CA LYS A 59 0.160 3.036 32.757 1.00 0.00 C ATOM 904 C LYS A 59 -0.152 1.606 32.326 1.00 0.00 C ATOM 905 O LYS A 59 0.616 0.684 32.601 1.00 0.00 O ATOM 906 CB LYS A 59 -0.675 3.403 33.986 1.00 0.00 C ATOM 907 CG LYS A 59 -0.307 4.747 34.591 1.00 0.00 C ATOM 908 CD LYS A 59 0.660 4.589 35.752 1.00 0.00 C ATOM 909 CE LYS A 59 2.010 4.066 35.286 1.00 0.00 C ATOM 910 NZ LYS A 59 2.102 2.584 35.403 1.00 0.00 N ATOM 0 H LYS A 59 -0.861 4.627 31.851 1.00 0.00 H new ATOM 0 HA LYS A 59 1.218 3.098 33.013 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.729 3.415 33.709 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.553 2.628 34.742 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.142 5.381 33.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.210 5.252 34.934 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.793 5.550 36.249 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.238 3.905 36.488 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.175 4.359 34.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.802 4.527 35.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.778 2.336 36.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.166 2.196 35.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.426 2.184 34.499 1.00 0.00 H new ATOM 924 N GLU A 60 -1.282 1.430 31.649 1.00 0.00 N ATOM 925 CA GLU A 60 -1.694 0.112 31.180 1.00 0.00 C ATOM 926 C GLU A 60 -0.916 -0.288 29.930 1.00 0.00 C ATOM 927 O GLU A 60 -0.955 -1.443 29.504 1.00 0.00 O ATOM 928 CB GLU A 60 -3.196 0.097 30.886 1.00 0.00 C ATOM 929 CG GLU A 60 -4.061 0.119 32.135 1.00 0.00 C ATOM 930 CD GLU A 60 -4.399 -1.272 32.635 1.00 0.00 C ATOM 931 OE1 GLU A 60 -4.853 -2.102 31.819 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.210 -1.531 33.842 1.00 0.00 O ATOM 0 H GLU A 60 -1.928 2.183 31.413 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.478 -0.610 31.968 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.445 0.959 30.267 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.435 -0.793 30.304 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.543 0.668 32.922 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.984 0.659 31.924 1.00 0.00 H new ATOM 939 N LEU A 61 -0.210 0.674 29.347 1.00 0.00 N ATOM 940 CA LEU A 61 0.578 0.424 28.145 1.00 0.00 C ATOM 941 C LEU A 61 1.988 -0.035 28.504 1.00 0.00 C ATOM 942 O LEU A 61 2.575 -0.868 27.812 1.00 0.00 O ATOM 943 CB LEU A 61 0.644 1.685 27.282 1.00 0.00 C ATOM 944 CG LEU A 61 1.763 1.729 26.242 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.583 0.620 25.217 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.803 3.088 25.558 1.00 0.00 C ATOM 0 H LEU A 61 -0.167 1.635 29.687 1.00 0.00 H new ATOM 0 HA LEU A 61 0.090 -0.370 27.580 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.309 1.798 26.766 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.754 2.546 27.941 1.00 0.00 H new ATOM 0 HG LEU A 61 2.713 1.573 26.753 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.389 0.667 24.485 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.605 -0.347 25.719 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.625 0.744 24.711 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.606 3.101 24.821 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.851 3.273 25.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.981 3.865 26.302 1.00 0.00 H new ATOM 958 N CYS A 62 2.524 0.511 29.589 1.00 0.00 N ATOM 959 CA CYS A 62 3.865 0.157 30.041 1.00 0.00 C ATOM 960 C CYS A 62 3.855 -1.179 30.777 1.00 0.00 C ATOM 961 O CYS A 62 4.902 -1.792 30.987 1.00 0.00 O ATOM 962 CB CYS A 62 4.424 1.251 30.952 1.00 0.00 C ATOM 963 SG CYS A 62 3.642 1.326 32.581 1.00 0.00 S ATOM 0 H CYS A 62 2.051 1.201 30.173 1.00 0.00 H new ATOM 0 HA CYS A 62 4.505 0.063 29.164 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.494 1.089 31.082 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.305 2.216 30.459 1.00 0.00 H new ATOM 0 HG CYS A 62 2.383 1.021 32.472 1.00 0.00 H new ATOM 969 N LYS A 63 2.666 -1.625 31.167 1.00 0.00 N ATOM 970 CA LYS A 63 2.519 -2.888 31.880 1.00 0.00 C ATOM 971 C LYS A 63 2.289 -4.039 30.906 1.00 0.00 C ATOM 972 O LYS A 63 2.606 -5.190 31.205 1.00 0.00 O ATOM 973 CB LYS A 63 1.356 -2.805 32.872 1.00 0.00 C ATOM 974 CG LYS A 63 -0.011 -2.858 32.212 1.00 0.00 C ATOM 975 CD LYS A 63 -1.128 -2.840 33.242 1.00 0.00 C ATOM 976 CE LYS A 63 -1.507 -4.247 33.679 1.00 0.00 C ATOM 977 NZ LYS A 63 -2.983 -4.437 33.716 1.00 0.00 N ATOM 0 H LYS A 63 1.790 -1.130 31.001 1.00 0.00 H new ATOM 0 HA LYS A 63 3.443 -3.077 32.427 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.438 -3.626 33.585 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.440 -1.879 33.441 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.123 -2.010 31.537 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.089 -3.760 31.605 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.814 -2.260 34.110 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.002 -2.340 32.824 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.065 -4.971 32.995 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.090 -4.445 34.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.236 -5.030 34.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.450 -3.512 33.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.295 -4.902 32.840 1.00 0.00 H new ATOM 991 N MET A 64 1.736 -3.720 29.740 1.00 0.00 N ATOM 992 CA MET A 64 1.466 -4.728 28.722 1.00 0.00 C ATOM 993 C MET A 64 2.714 -5.558 28.434 1.00 0.00 C ATOM 994 O MET A 64 3.836 -5.065 28.542 1.00 0.00 O ATOM 995 CB MET A 64 0.973 -4.064 27.435 1.00 0.00 C ATOM 996 CG MET A 64 -0.438 -3.508 27.539 1.00 0.00 C ATOM 997 SD MET A 64 -1.627 -4.442 26.556 1.00 0.00 S ATOM 998 CE MET A 64 -0.903 -4.297 24.924 1.00 0.00 C ATOM 0 H MET A 64 1.466 -2.772 29.477 1.00 0.00 H new ATOM 0 HA MET A 64 0.689 -5.392 29.101 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.654 -3.256 27.169 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.009 -4.791 26.624 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.751 -3.515 28.583 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.440 -2.468 27.212 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.691 -4.339 24.172 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.374 -3.347 24.844 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.203 -5.117 24.762 1.00 0.00 H new ATOM 1008 N ASN A 65 2.509 -6.819 28.067 1.00 0.00 N ATOM 1009 CA ASN A 65 3.618 -7.716 27.765 1.00 0.00 C ATOM 1010 C ASN A 65 3.516 -8.245 26.337 1.00 0.00 C ATOM 1011 O ASN A 65 2.587 -7.907 25.603 1.00 0.00 O ATOM 1012 CB ASN A 65 3.640 -8.884 28.753 1.00 0.00 C ATOM 1013 CG ASN A 65 2.252 -9.258 29.237 1.00 0.00 C ATOM 1014 OD1 ASN A 65 1.514 -9.968 28.553 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.890 -8.780 30.422 1.00 0.00 N ATOM 0 H ASN A 65 1.586 -7.242 27.972 1.00 0.00 H new ATOM 0 HA ASN A 65 4.546 -7.152 27.859 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.102 -9.750 28.278 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.262 -8.621 29.609 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.968 -8.998 30.800 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.534 -8.195 30.955 1.00 0.00 H new ATOM 1022 N LYS A 66 4.476 -9.078 25.951 1.00 0.00 N ATOM 1023 CA LYS A 66 4.496 -9.656 24.612 1.00 0.00 C ATOM 1024 C LYS A 66 3.155 -10.305 24.281 1.00 0.00 C ATOM 1025 O LYS A 66 2.672 -10.208 23.154 1.00 0.00 O ATOM 1026 CB LYS A 66 5.617 -10.691 24.498 1.00 0.00 C ATOM 1027 CG LYS A 66 5.997 -11.020 23.064 1.00 0.00 C ATOM 1028 CD LYS A 66 7.226 -10.245 22.621 1.00 0.00 C ATOM 1029 CE LYS A 66 7.617 -10.590 21.192 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.907 -11.333 21.135 1.00 0.00 N ATOM 0 H LYS A 66 5.251 -9.368 26.547 1.00 0.00 H new ATOM 0 HA LYS A 66 4.678 -8.852 23.898 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.498 -10.320 25.022 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.308 -11.606 25.002 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.188 -12.089 22.973 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.162 -10.788 22.403 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.030 -9.175 22.698 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.058 -10.466 23.290 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.831 -11.191 20.735 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.699 -9.674 20.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.114 -11.594 20.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.671 -10.730 21.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.838 -12.194 21.714 1.00 0.00 H new ATOM 1044 N GLU A 67 2.561 -10.964 25.271 1.00 0.00 N ATOM 1045 CA GLU A 67 1.276 -11.627 25.082 1.00 0.00 C ATOM 1046 C GLU A 67 0.163 -10.606 24.863 1.00 0.00 C ATOM 1047 O GLU A 67 -0.513 -10.620 23.835 1.00 0.00 O ATOM 1048 CB GLU A 67 0.948 -12.504 26.292 1.00 0.00 C ATOM 1049 CG GLU A 67 1.142 -13.990 26.038 1.00 0.00 C ATOM 1050 CD GLU A 67 0.467 -14.854 27.085 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.581 -14.430 27.618 1.00 0.00 O ATOM 1052 OE2 GLU A 67 0.985 -15.953 27.372 1.00 0.00 O ATOM 0 H GLU A 67 2.948 -11.053 26.210 1.00 0.00 H new ATOM 0 HA GLU A 67 1.347 -12.256 24.194 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.577 -12.202 27.130 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.086 -12.327 26.589 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.745 -14.241 25.054 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.208 -14.215 26.019 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.020 -9.722 25.838 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.050 -8.693 25.753 1.00 0.00 C ATOM 1061 C ASP A 68 -0.870 -7.846 24.497 1.00 0.00 C ATOM 1062 O ASP A 68 -1.824 -7.254 23.993 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.013 -7.801 26.995 1.00 0.00 C ATOM 1064 CG ASP A 68 -0.951 -8.601 28.281 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.339 -9.787 28.261 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.515 -8.040 29.308 1.00 0.00 O ATOM 0 H ASP A 68 0.531 -9.697 26.696 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.020 -9.188 25.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.147 -7.141 26.939 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.898 -7.165 27.008 1.00 0.00 H new ATOM 1071 N PHE A 69 0.360 -7.793 23.997 1.00 0.00 N ATOM 1072 CA PHE A 69 0.667 -7.017 22.801 1.00 0.00 C ATOM 1073 C PHE A 69 0.346 -7.813 21.539 1.00 0.00 C ATOM 1074 O PHE A 69 -0.068 -7.250 20.525 1.00 0.00 O ATOM 1075 CB PHE A 69 2.141 -6.607 22.798 1.00 0.00 C ATOM 1076 CG PHE A 69 2.388 -5.254 23.402 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.801 -4.122 22.861 1.00 0.00 C ATOM 1078 CD2 PHE A 69 3.208 -5.116 24.511 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.026 -2.875 23.415 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.436 -3.872 25.069 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.846 -2.751 24.520 1.00 0.00 C ATOM 0 H PHE A 69 1.161 -8.278 24.402 1.00 0.00 H new ATOM 0 HA PHE A 69 0.048 -6.120 22.811 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.718 -7.352 23.346 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.509 -6.611 21.772 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.160 -4.214 21.997 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.674 -5.989 24.944 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.562 -2.000 22.985 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.075 -3.777 25.934 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.025 -1.778 24.954 1.00 0.00 H new ATOM 1091 N LEU A 70 0.539 -9.125 21.610 1.00 0.00 N ATOM 1092 CA LEU A 70 0.271 -10.000 20.473 1.00 0.00 C ATOM 1093 C LEU A 70 -1.227 -10.101 20.206 1.00 0.00 C ATOM 1094 O LEU A 70 -1.648 -10.498 19.119 1.00 0.00 O ATOM 1095 CB LEU A 70 0.851 -11.393 20.729 1.00 0.00 C ATOM 1096 CG LEU A 70 2.209 -11.682 20.089 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.713 -13.055 20.504 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.118 -11.580 18.574 1.00 0.00 C ATOM 0 H LEU A 70 0.880 -9.607 22.442 1.00 0.00 H new ATOM 0 HA LEU A 70 0.750 -9.570 19.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.942 -11.535 21.806 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.137 -12.134 20.369 1.00 0.00 H new ATOM 0 HG LEU A 70 2.921 -10.935 20.440 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.681 -13.243 20.039 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.818 -13.091 21.588 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.002 -13.816 20.183 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.094 -11.789 18.136 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.392 -12.303 18.204 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.803 -10.574 18.295 1.00 0.00 H new ATOM 1110 N ARG A 71 -2.027 -9.738 21.203 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.478 -9.787 21.075 1.00 0.00 C ATOM 1112 C ARG A 71 -4.008 -8.523 20.405 1.00 0.00 C ATOM 1113 O ARG A 71 -5.217 -8.346 20.258 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.127 -9.959 22.450 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.711 -11.234 23.165 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.743 -11.655 24.199 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.587 -13.053 24.591 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.347 -13.650 25.502 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.311 -12.975 26.112 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.143 -14.926 25.805 1.00 0.00 N ATOM 0 H ARG A 71 -1.695 -9.407 22.109 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.734 -10.643 20.450 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.870 -9.103 23.073 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.211 -9.955 22.334 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.577 -12.034 22.437 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.748 -11.082 23.652 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.653 -11.019 25.080 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.744 -11.501 23.796 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.854 -13.601 24.140 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.471 -11.994 25.882 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.893 -13.436 26.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.402 -15.449 25.338 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.727 -15.384 26.505 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.094 -7.646 20.002 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.469 -6.399 19.346 1.00 0.00 C ATOM 1136 C ALA A 72 -2.617 -6.153 18.106 1.00 0.00 C ATOM 1137 O ALA A 72 -3.112 -5.677 17.084 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.342 -5.234 20.316 1.00 0.00 C ATOM 0 H ALA A 72 -2.089 -7.776 20.118 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.509 -6.482 19.029 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.625 -4.309 19.813 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.999 -5.398 21.170 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.311 -5.158 20.661 1.00 0.00 H new ATOM 1144 N THR A 73 -1.331 -6.479 18.203 1.00 0.00 N ATOM 1145 CA THR A 73 -0.410 -6.291 17.090 1.00 0.00 C ATOM 1146 C THR A 73 0.346 -7.578 16.779 1.00 0.00 C ATOM 1147 O THR A 73 0.486 -8.452 17.636 1.00 0.00 O ATOM 1148 CB THR A 73 0.606 -5.171 17.384 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.258 -4.770 16.174 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.644 -5.633 18.396 1.00 0.00 C ATOM 0 H THR A 73 -0.905 -6.874 19.041 1.00 0.00 H new ATOM 0 HA THR A 73 -1.012 -6.008 16.226 1.00 0.00 H new ATOM 0 HB THR A 73 0.066 -4.322 17.803 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.606 -4.748 15.443 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.350 -4.825 18.587 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.148 -5.909 19.326 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.179 -6.496 18.000 1.00 0.00 H new ATOM 1158 N THR A 74 0.834 -7.690 15.547 1.00 0.00 N ATOM 1159 CA THR A 74 1.576 -8.871 15.123 1.00 0.00 C ATOM 1160 C THR A 74 2.849 -9.044 15.944 1.00 0.00 C ATOM 1161 O THR A 74 3.348 -8.091 16.543 1.00 0.00 O ATOM 1162 CB THR A 74 1.947 -8.795 13.630 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.683 -9.962 13.248 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.774 -7.551 13.341 1.00 0.00 C ATOM 0 H THR A 74 0.728 -6.977 14.825 1.00 0.00 H new ATOM 0 HA THR A 74 0.924 -9.729 15.284 1.00 0.00 H new ATOM 0 HB THR A 74 1.025 -8.742 13.051 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.913 -9.907 12.297 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.024 -7.519 12.281 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.200 -6.663 13.606 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.691 -7.579 13.929 1.00 0.00 H new ATOM 1172 N LEU A 75 3.371 -10.265 15.966 1.00 0.00 N ATOM 1173 CA LEU A 75 4.588 -10.564 16.713 1.00 0.00 C ATOM 1174 C LEU A 75 5.703 -9.588 16.351 1.00 0.00 C ATOM 1175 O LEU A 75 6.337 -9.001 17.227 1.00 0.00 O ATOM 1176 CB LEU A 75 5.041 -11.999 16.436 1.00 0.00 C ATOM 1177 CG LEU A 75 6.439 -12.369 16.933 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.480 -12.375 18.454 1.00 0.00 C ATOM 1179 CD2 LEU A 75 6.860 -13.723 16.381 1.00 0.00 C ATOM 0 H LEU A 75 2.971 -11.064 15.475 1.00 0.00 H new ATOM 0 HA LEU A 75 4.368 -10.458 17.775 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.323 -12.680 16.893 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.003 -12.170 15.360 1.00 0.00 H new ATOM 0 HG LEU A 75 7.143 -11.618 16.574 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.482 -12.640 18.790 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.222 -11.385 18.829 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.765 -13.104 18.834 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.857 -13.970 16.745 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.154 -14.486 16.710 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.871 -13.685 15.292 1.00 0.00 H new ATOM 1191 N TYR A 76 5.934 -9.418 15.054 1.00 0.00 N ATOM 1192 CA TYR A 76 6.972 -8.513 14.575 1.00 0.00 C ATOM 1193 C TYR A 76 6.854 -7.146 15.243 1.00 0.00 C ATOM 1194 O TYR A 76 7.806 -6.655 15.848 1.00 0.00 O ATOM 1195 CB TYR A 76 6.884 -8.359 13.056 1.00 0.00 C ATOM 1196 CG TYR A 76 7.983 -7.504 12.468 1.00 0.00 C ATOM 1197 CD1 TYR A 76 7.933 -6.118 12.554 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.073 -8.082 11.828 1.00 0.00 C ATOM 1199 CE1 TYR A 76 8.935 -5.333 12.018 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.080 -7.304 11.291 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.007 -5.930 11.387 1.00 0.00 C ATOM 1202 OH TYR A 76 11.007 -5.151 10.853 1.00 0.00 O ATOM 0 H TYR A 76 5.417 -9.895 14.316 1.00 0.00 H new ATOM 0 HA TYR A 76 7.940 -8.942 14.834 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.919 -9.347 12.597 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.919 -7.922 12.799 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.096 -5.647 13.048 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.134 -9.157 11.749 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.880 -4.257 12.092 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.921 -7.769 10.798 1.00 0.00 H new ATOM 0 HH TYR A 76 11.688 -5.726 10.446 1.00 0.00 H new ATOM 1212 N ASN A 77 5.678 -6.538 15.128 1.00 0.00 N ATOM 1213 CA ASN A 77 5.433 -5.228 15.720 1.00 0.00 C ATOM 1214 C ASN A 77 5.511 -5.296 17.242 1.00 0.00 C ATOM 1215 O ASN A 77 5.911 -4.335 17.899 1.00 0.00 O ATOM 1216 CB ASN A 77 4.063 -4.699 15.291 1.00 0.00 C ATOM 1217 CG ASN A 77 4.014 -4.349 13.817 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.050 -4.199 13.168 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.807 -4.216 13.280 1.00 0.00 N ATOM 0 H ASN A 77 4.880 -6.932 14.630 1.00 0.00 H new ATOM 0 HA ASN A 77 6.205 -4.546 15.364 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.303 -5.449 15.509 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.817 -3.815 15.880 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.711 -3.981 12.292 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.975 -4.349 13.855 1.00 0.00 H new ATOM 1226 N THR A 78 5.125 -6.441 17.799 1.00 0.00 N ATOM 1227 CA THR A 78 5.150 -6.635 19.243 1.00 0.00 C ATOM 1228 C THR A 78 6.573 -6.551 19.784 1.00 0.00 C ATOM 1229 O THR A 78 6.785 -6.196 20.943 1.00 0.00 O ATOM 1230 CB THR A 78 4.543 -7.995 19.637 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.179 -8.065 19.206 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.616 -8.204 21.142 1.00 0.00 C ATOM 0 H THR A 78 4.791 -7.247 17.271 1.00 0.00 H new ATOM 0 HA THR A 78 4.550 -5.837 19.680 1.00 0.00 H new ATOM 0 HB THR A 78 5.119 -8.781 19.149 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.146 -8.077 18.227 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.182 -9.171 21.397 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.657 -8.178 21.463 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.061 -7.413 21.647 1.00 0.00 H new ATOM 1240 N GLU A 79 7.544 -6.879 18.938 1.00 0.00 N ATOM 1241 CA GLU A 79 8.947 -6.840 19.333 1.00 0.00 C ATOM 1242 C GLU A 79 9.495 -5.418 19.256 1.00 0.00 C ATOM 1243 O GLU A 79 10.334 -5.019 20.063 1.00 0.00 O ATOM 1244 CB GLU A 79 9.777 -7.767 18.443 1.00 0.00 C ATOM 1245 CG GLU A 79 9.855 -9.195 18.957 1.00 0.00 C ATOM 1246 CD GLU A 79 11.248 -9.783 18.836 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.043 -9.622 19.785 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.542 -10.403 17.793 1.00 0.00 O ATOM 0 H GLU A 79 7.385 -7.175 17.975 1.00 0.00 H new ATOM 0 HA GLU A 79 9.016 -7.182 20.366 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.349 -7.773 17.441 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.787 -7.365 18.356 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.544 -9.219 20.001 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.153 -9.816 18.401 1.00 0.00 H new ATOM 1255 N VAL A 80 9.014 -4.657 18.277 1.00 0.00 N ATOM 1256 CA VAL A 80 9.454 -3.279 18.093 1.00 0.00 C ATOM 1257 C VAL A 80 8.908 -2.377 19.194 1.00 0.00 C ATOM 1258 O VAL A 80 9.668 -1.734 19.919 1.00 0.00 O ATOM 1259 CB VAL A 80 9.012 -2.727 16.725 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.389 -1.259 16.594 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.623 -3.546 15.598 1.00 0.00 C ATOM 0 H VAL A 80 8.320 -4.972 17.599 1.00 0.00 H new ATOM 0 HA VAL A 80 10.543 -3.285 18.139 1.00 0.00 H new ATOM 0 HB VAL A 80 7.927 -2.806 16.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.069 -0.887 15.621 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.899 -0.686 17.381 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.470 -1.151 16.686 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.300 -3.142 14.638 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.710 -3.501 15.663 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.297 -4.583 15.683 1.00 0.00 H new ATOM 1271 N LEU A 81 7.585 -2.333 19.314 1.00 0.00 N ATOM 1272 CA LEU A 81 6.936 -1.509 20.327 1.00 0.00 C ATOM 1273 C LEU A 81 7.524 -1.780 21.708 1.00 0.00 C ATOM 1274 O LEU A 81 8.029 -0.871 22.370 1.00 0.00 O ATOM 1275 CB LEU A 81 5.430 -1.774 20.340 1.00 0.00 C ATOM 1276 CG LEU A 81 4.681 -1.456 19.046 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.216 -1.845 19.167 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.816 0.020 18.700 1.00 0.00 C ATOM 0 H LEU A 81 6.941 -2.858 18.722 1.00 0.00 H new ATOM 0 HA LEU A 81 7.112 -0.463 20.077 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.268 -2.825 20.581 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.986 -1.190 21.146 1.00 0.00 H new ATOM 0 HG LEU A 81 5.125 -2.040 18.240 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.699 -1.611 18.236 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.139 -2.914 19.366 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.758 -1.289 19.985 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.277 0.228 17.776 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.399 0.622 19.507 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.869 0.268 18.569 1.00 0.00 H new ATOM 1290 N LEU A 82 7.457 -3.035 22.138 1.00 0.00 N ATOM 1291 CA LEU A 82 7.985 -3.428 23.440 1.00 0.00 C ATOM 1292 C LEU A 82 9.431 -2.972 23.601 1.00 0.00 C ATOM 1293 O LEU A 82 9.803 -2.401 24.626 1.00 0.00 O ATOM 1294 CB LEU A 82 7.893 -4.945 23.613 1.00 0.00 C ATOM 1295 CG LEU A 82 6.559 -5.482 24.134 1.00 0.00 C ATOM 1296 CD1 LEU A 82 6.497 -6.994 23.983 1.00 0.00 C ATOM 1297 CD2 LEU A 82 6.354 -5.080 25.587 1.00 0.00 C ATOM 0 H LEU A 82 7.042 -3.798 21.604 1.00 0.00 H new ATOM 0 HA LEU A 82 7.384 -2.944 24.210 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.099 -5.413 22.651 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.681 -5.261 24.297 1.00 0.00 H new ATOM 0 HG LEU A 82 5.756 -5.045 23.540 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.541 -7.358 24.359 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.598 -7.259 22.931 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.308 -7.450 24.551 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.400 -5.470 25.941 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.161 -5.488 26.195 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.353 -3.993 25.667 1.00 0.00 H new ATOM 1309 N SER A 83 10.244 -3.227 22.580 1.00 0.00 N ATOM 1310 CA SER A 83 11.650 -2.844 22.609 1.00 0.00 C ATOM 1311 C SER A 83 11.800 -1.336 22.783 1.00 0.00 C ATOM 1312 O SER A 83 12.597 -0.870 23.598 1.00 0.00 O ATOM 1313 CB SER A 83 12.349 -3.292 21.323 1.00 0.00 C ATOM 1314 OG SER A 83 13.696 -2.854 21.295 1.00 0.00 O ATOM 0 H SER A 83 9.952 -3.697 21.723 1.00 0.00 H new ATOM 0 HA SER A 83 12.118 -3.338 23.460 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.315 -4.379 21.247 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.816 -2.895 20.459 1.00 0.00 H new ATOM 0 HG SER A 83 14.120 -3.154 20.464 1.00 0.00 H new ATOM 1320 N HIS A 84 11.027 -0.578 22.012 1.00 0.00 N ATOM 1321 CA HIS A 84 11.073 0.878 22.081 1.00 0.00 C ATOM 1322 C HIS A 84 10.753 1.366 23.491 1.00 0.00 C ATOM 1323 O HIS A 84 11.538 2.094 24.100 1.00 0.00 O ATOM 1324 CB HIS A 84 10.088 1.488 21.083 1.00 0.00 C ATOM 1325 CG HIS A 84 10.312 2.948 20.836 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.331 3.597 20.226 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.425 3.924 21.238 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 11.044 4.939 20.268 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.888 5.110 20.884 1.00 0.00 N flip ATOM 0 H HIS A 84 10.362 -0.948 21.333 1.00 0.00 H new ATOM 0 HA HIS A 84 12.083 1.197 21.825 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.164 0.952 20.137 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.073 1.342 21.452 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.497 3.747 21.761 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.663 5.726 19.863 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.431 6.005 21.057 1.00 0.00 H new ATOM 1337 N LEU A 85 9.597 0.960 24.004 1.00 0.00 N ATOM 1338 CA LEU A 85 9.173 1.356 25.343 1.00 0.00 C ATOM 1339 C LEU A 85 10.180 0.894 26.391 1.00 0.00 C ATOM 1340 O LEU A 85 10.368 1.550 27.416 1.00 0.00 O ATOM 1341 CB LEU A 85 7.792 0.776 25.654 1.00 0.00 C ATOM 1342 CG LEU A 85 6.761 1.758 26.211 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.718 2.093 25.157 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.099 1.187 27.457 1.00 0.00 C ATOM 0 H LEU A 85 8.936 0.357 23.514 1.00 0.00 H new ATOM 0 HA LEU A 85 9.118 2.444 25.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.390 0.338 24.740 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.914 -0.036 26.370 1.00 0.00 H new ATOM 0 HG LEU A 85 7.277 2.678 26.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.993 2.793 25.572 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.206 2.545 24.293 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.206 1.181 24.849 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.368 1.899 27.840 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.598 0.252 27.207 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.856 1.000 28.218 1.00 0.00 H new ATOM 1356 N SER A 86 10.825 -0.237 26.127 1.00 0.00 N ATOM 1357 CA SER A 86 11.812 -0.787 27.049 1.00 0.00 C ATOM 1358 C SER A 86 12.855 0.263 27.419 1.00 0.00 C ATOM 1359 O SER A 86 13.412 0.241 28.516 1.00 0.00 O ATOM 1360 CB SER A 86 12.497 -2.006 26.427 1.00 0.00 C ATOM 1361 OG SER A 86 12.657 -3.042 27.381 1.00 0.00 O ATOM 0 H SER A 86 10.682 -0.791 25.282 1.00 0.00 H new ATOM 0 HA SER A 86 11.293 -1.094 27.957 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.906 -2.370 25.586 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.471 -1.718 26.032 1.00 0.00 H new ATOM 0 HG SER A 86 13.095 -3.810 26.959 1.00 0.00 H new ATOM 1367 N TYR A 87 13.114 1.182 26.495 1.00 0.00 N ATOM 1368 CA TYR A 87 14.091 2.239 26.721 1.00 0.00 C ATOM 1369 C TYR A 87 13.443 3.444 27.396 1.00 0.00 C ATOM 1370 O TYR A 87 13.941 3.950 28.403 1.00 0.00 O ATOM 1371 CB TYR A 87 14.730 2.664 25.398 1.00 0.00 C ATOM 1372 CG TYR A 87 15.593 3.901 25.512 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.840 3.847 26.122 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.162 5.122 25.008 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.632 4.974 26.229 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.948 6.254 25.109 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.181 6.175 25.720 1.00 0.00 C ATOM 1378 OH TYR A 87 17.968 7.300 25.824 1.00 0.00 O ATOM 0 H TYR A 87 12.660 1.216 25.582 1.00 0.00 H new ATOM 0 HA TYR A 87 14.865 1.848 27.381 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.336 1.842 25.016 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.943 2.846 24.666 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.196 2.908 26.519 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.196 5.187 24.529 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.598 4.916 26.708 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.598 7.195 24.711 1.00 0.00 H new ATOM 0 HH TYR A 87 17.506 8.061 25.415 1.00 0.00 H new ATOM 1388 N LEU A 88 12.329 3.900 26.835 1.00 0.00 N ATOM 1389 CA LEU A 88 11.610 5.046 27.381 1.00 0.00 C ATOM 1390 C LEU A 88 11.274 4.826 28.853 1.00 0.00 C ATOM 1391 O LEU A 88 11.515 5.696 29.691 1.00 0.00 O ATOM 1392 CB LEU A 88 10.328 5.295 26.585 1.00 0.00 C ATOM 1393 CG LEU A 88 10.502 5.973 25.226 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.091 5.001 24.216 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.173 6.522 24.729 1.00 0.00 C ATOM 0 H LEU A 88 11.903 3.494 26.002 1.00 0.00 H new ATOM 0 HA LEU A 88 12.255 5.921 27.301 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.829 4.338 26.430 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.661 5.908 27.191 1.00 0.00 H new ATOM 0 HG LEU A 88 11.195 6.806 25.344 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.208 5.501 23.255 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.064 4.657 24.567 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.424 4.146 24.102 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.317 7.001 23.760 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.457 5.706 24.628 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.792 7.253 25.442 1.00 0.00 H new