USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=19 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 73 THR OG1 : rot 47:sc= -3.6! USER MOD Set 1.2: A 77 ASN : amide:sc= -4.79! C(o=-8.4!,f=-10!) USER MOD Set 2.1: A 56 MET CE :methyl -169:sc= -2.5 (180deg=-2.99) USER MOD Set 2.2: A 64 MET CE :methyl -148:sc= -1.55 (180deg=-4.89!) USER MOD Set 3.1: A 29 GLN : amide:sc= -1.4 K(o=-2.7,f=-5.3) USER MOD Set 3.2: A 55 ASN : amide:sc= -1.26 K(o=-2.7,f=-4.3) USER MOD Set 4.1: A 43 TYR OH : rot -158:sc= 0.956 USER MOD Set 4.2: A 84 HIS :FLIP no HD1:sc= -0.294 F(o=-1.7,f=0.66) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0304 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 31 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-4.1!) USER MOD Single : A 34 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.027) 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 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.64 K(o=-0.64,f=-5.2!) USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= -0.329 (180deg=-0.926) USER MOD Single : A 62 CYS SG : rot -35:sc= -1.76! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.5) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00428) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.852 USER MOD Single : A 83 SER OG : rot 93:sc= 0.0309 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 5.274 13.735 23.042 1.00 0.00 N ATOM 266 CA VAL A 20 5.083 12.923 24.238 1.00 0.00 C ATOM 267 C VAL A 20 6.288 13.020 25.167 1.00 0.00 C ATOM 268 O VAL A 20 7.409 13.304 24.743 1.00 0.00 O ATOM 269 CB VAL A 20 4.842 11.444 23.880 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.460 11.260 23.273 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.921 10.944 22.931 1.00 0.00 C ATOM 0 HA VAL A 20 4.203 13.314 24.748 1.00 0.00 H new ATOM 0 HB VAL A 20 4.892 10.853 24.795 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.308 10.209 23.027 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.703 11.578 23.989 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.378 11.861 22.367 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.736 9.898 22.688 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.905 11.537 22.017 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.897 11.039 23.407 1.00 0.00 H new ATOM 281 N PRO A 21 6.055 12.778 26.465 1.00 0.00 N ATOM 282 CA PRO A 21 7.110 12.831 27.482 1.00 0.00 C ATOM 283 C PRO A 21 8.104 11.683 27.346 1.00 0.00 C ATOM 284 O PRO A 21 8.018 10.882 26.416 1.00 0.00 O ATOM 285 CB PRO A 21 6.339 12.717 28.799 1.00 0.00 C ATOM 286 CG PRO A 21 5.081 12.003 28.442 1.00 0.00 C ATOM 287 CD PRO A 21 4.744 12.434 27.041 1.00 0.00 C ATOM 0 HA PRO A 21 7.710 13.738 27.400 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.910 12.164 29.545 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.130 13.700 29.222 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.216 10.923 28.496 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.278 12.259 29.133 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.256 11.636 26.481 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.066 13.288 27.035 1.00 0.00 H new ATOM 295 N ALA A 22 9.047 11.609 28.279 1.00 0.00 N ATOM 296 CA ALA A 22 10.056 10.558 28.265 1.00 0.00 C ATOM 297 C ALA A 22 9.441 9.201 28.590 1.00 0.00 C ATOM 298 O ALA A 22 9.223 8.378 27.701 1.00 0.00 O ATOM 299 CB ALA A 22 11.172 10.883 29.247 1.00 0.00 C ATOM 0 H ALA A 22 9.133 12.265 29.055 1.00 0.00 H new ATOM 0 HA ALA A 22 10.475 10.506 27.260 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.918 10.089 29.225 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.639 11.827 28.968 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.759 10.966 30.252 1.00 0.00 H new ATOM 305 N ASP A 23 9.162 8.975 29.869 1.00 0.00 N ATOM 306 CA ASP A 23 8.571 7.718 30.312 1.00 0.00 C ATOM 307 C ASP A 23 7.163 7.551 29.750 1.00 0.00 C ATOM 308 O ASP A 23 6.392 8.506 29.647 1.00 0.00 O ATOM 309 CB ASP A 23 8.533 7.658 31.840 1.00 0.00 C ATOM 310 CG ASP A 23 9.315 6.482 32.393 1.00 0.00 C ATOM 311 OD1 ASP A 23 10.549 6.605 32.536 1.00 0.00 O ATOM 312 OD2 ASP A 23 8.692 5.438 32.682 1.00 0.00 O ATOM 0 H ASP A 23 9.336 9.646 30.617 1.00 0.00 H new ATOM 0 HA ASP A 23 9.191 6.903 29.939 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.939 8.584 32.247 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.497 7.590 32.172 1.00 0.00 H new ATOM 317 N PRO A 24 6.818 6.311 29.374 1.00 0.00 N ATOM 318 CA PRO A 24 5.502 5.990 28.815 1.00 0.00 C ATOM 319 C PRO A 24 4.390 6.090 29.854 1.00 0.00 C ATOM 320 O PRO A 24 3.230 6.328 29.517 1.00 0.00 O ATOM 321 CB PRO A 24 5.661 4.544 28.340 1.00 0.00 C ATOM 322 CG PRO A 24 6.749 3.983 29.189 1.00 0.00 C ATOM 323 CD PRO A 24 7.687 5.125 29.468 1.00 0.00 C ATOM 0 HA PRO A 24 5.215 6.684 28.025 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.734 3.983 28.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.922 4.501 27.283 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.348 3.572 30.116 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.265 3.171 28.676 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.143 5.038 30.454 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.500 5.164 28.743 1.00 0.00 H new ATOM 331 N THR A 25 4.752 5.907 31.120 1.00 0.00 N ATOM 332 CA THR A 25 3.785 5.976 32.208 1.00 0.00 C ATOM 333 C THR A 25 3.140 7.355 32.284 1.00 0.00 C ATOM 334 O THR A 25 2.080 7.524 32.890 1.00 0.00 O ATOM 335 CB THR A 25 4.441 5.654 33.564 1.00 0.00 C ATOM 336 OG1 THR A 25 5.485 6.594 33.839 1.00 0.00 O ATOM 337 CG2 THR A 25 5.009 4.243 33.568 1.00 0.00 C ATOM 0 H THR A 25 5.708 5.710 31.417 1.00 0.00 H new ATOM 0 HA THR A 25 3.019 5.230 31.997 1.00 0.00 H new ATOM 0 HB THR A 25 3.677 5.724 34.338 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.896 6.383 34.704 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.467 4.038 34.536 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.207 3.527 33.387 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.761 4.151 32.784 1.00 0.00 H new ATOM 345 N LEU A 26 3.784 8.339 31.666 1.00 0.00 N ATOM 346 CA LEU A 26 3.272 9.705 31.663 1.00 0.00 C ATOM 347 C LEU A 26 2.451 9.976 30.406 1.00 0.00 C ATOM 348 O LEU A 26 2.198 11.128 30.054 1.00 0.00 O ATOM 349 CB LEU A 26 4.426 10.704 31.757 1.00 0.00 C ATOM 350 CG LEU A 26 5.217 10.694 33.065 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.428 9.780 32.951 1.00 0.00 C ATOM 352 CD2 LEU A 26 5.646 12.105 33.440 1.00 0.00 C ATOM 0 H LEU A 26 4.661 8.216 31.161 1.00 0.00 H new ATOM 0 HA LEU A 26 2.624 9.825 32.531 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.117 10.509 30.937 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.026 11.706 31.605 1.00 0.00 H new ATOM 0 HG LEU A 26 4.571 10.310 33.854 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.978 9.786 33.892 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.098 8.765 32.730 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.076 10.133 32.149 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.208 12.078 34.374 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.274 12.516 32.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.764 12.732 33.565 1.00 0.00 H new ATOM 364 N TRP A 27 2.038 8.908 29.734 1.00 0.00 N ATOM 365 CA TRP A 27 1.243 9.031 28.517 1.00 0.00 C ATOM 366 C TRP A 27 -0.247 8.970 28.831 1.00 0.00 C ATOM 367 O TRP A 27 -0.732 7.996 29.408 1.00 0.00 O ATOM 368 CB TRP A 27 1.614 7.924 27.528 1.00 0.00 C ATOM 369 CG TRP A 27 2.975 8.097 26.925 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.820 9.156 27.101 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.646 7.186 26.048 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.977 8.957 26.385 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.895 7.756 25.732 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.315 5.944 25.501 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.810 7.125 24.893 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.224 5.319 24.668 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.459 5.909 24.371 1.00 0.00 C ATOM 0 H TRP A 27 2.240 7.947 30.011 1.00 0.00 H new ATOM 0 HA TRP A 27 1.460 10.000 28.067 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.570 6.962 28.038 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.872 7.896 26.730 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.610 10.021 27.712 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.768 9.600 26.346 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.366 5.480 25.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.763 7.579 24.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.978 4.359 24.239 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.148 5.395 23.717 1.00 0.00 H new ATOM 388 N THR A 28 -0.972 10.017 28.448 1.00 0.00 N ATOM 389 CA THR A 28 -2.407 10.083 28.690 1.00 0.00 C ATOM 390 C THR A 28 -3.162 9.117 27.785 1.00 0.00 C ATOM 391 O THR A 28 -2.558 8.394 26.993 1.00 0.00 O ATOM 392 CB THR A 28 -2.949 11.508 28.467 1.00 0.00 C ATOM 393 OG1 THR A 28 -2.999 11.800 27.066 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.078 12.535 29.174 1.00 0.00 C ATOM 0 H THR A 28 -0.588 10.831 27.969 1.00 0.00 H new ATOM 0 HA THR A 28 -2.566 9.800 29.731 1.00 0.00 H new ATOM 0 HB THR A 28 -3.955 11.560 28.884 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.346 12.707 26.933 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.480 13.533 29.002 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.067 12.328 30.244 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.062 12.481 28.783 1.00 0.00 H new ATOM 402 N GLN A 29 -4.486 9.111 27.906 1.00 0.00 N ATOM 403 CA GLN A 29 -5.323 8.233 27.098 1.00 0.00 C ATOM 404 C GLN A 29 -5.168 8.548 25.614 1.00 0.00 C ATOM 405 O GLN A 29 -5.523 7.738 24.758 1.00 0.00 O ATOM 406 CB GLN A 29 -6.790 8.370 27.510 1.00 0.00 C ATOM 407 CG GLN A 29 -7.461 7.041 27.820 1.00 0.00 C ATOM 408 CD GLN A 29 -8.907 7.203 28.244 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.734 7.717 27.489 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.222 6.765 29.457 1.00 0.00 N ATOM 0 H GLN A 29 -5.002 9.704 28.556 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.000 7.206 27.269 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.854 9.013 28.388 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.339 8.867 26.710 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.414 6.400 26.939 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.909 6.535 28.612 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.506 6.346 30.050 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.180 6.848 29.796 1.00 0.00 H new ATOM 419 N GLU A 30 -4.637 9.730 25.317 1.00 0.00 N ATOM 420 CA GLU A 30 -4.437 10.151 23.935 1.00 0.00 C ATOM 421 C GLU A 30 -3.013 9.852 23.476 1.00 0.00 C ATOM 422 O GLU A 30 -2.797 9.363 22.366 1.00 0.00 O ATOM 423 CB GLU A 30 -4.728 11.646 23.788 1.00 0.00 C ATOM 424 CG GLU A 30 -4.440 12.188 22.398 1.00 0.00 C ATOM 425 CD GLU A 30 -5.430 13.254 21.970 1.00 0.00 C ATOM 426 OE1 GLU A 30 -5.610 14.233 22.724 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.025 13.109 20.881 1.00 0.00 O ATOM 0 H GLU A 30 -4.338 10.412 26.014 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.128 9.589 23.307 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.775 11.829 24.031 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.131 12.197 24.515 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.433 12.603 22.376 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.462 11.368 21.681 1.00 0.00 H new ATOM 434 N HIS A 31 -2.045 10.148 24.337 1.00 0.00 N ATOM 435 CA HIS A 31 -0.641 9.911 24.020 1.00 0.00 C ATOM 436 C HIS A 31 -0.427 8.478 23.543 1.00 0.00 C ATOM 437 O HIS A 31 0.142 8.246 22.476 1.00 0.00 O ATOM 438 CB HIS A 31 0.234 10.190 25.242 1.00 0.00 C ATOM 439 CG HIS A 31 0.650 11.624 25.366 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.981 12.210 26.569 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.789 12.589 24.428 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.305 13.474 26.366 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.197 13.730 25.075 1.00 0.00 N ATOM 0 H HIS A 31 -2.207 10.552 25.259 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.356 10.590 23.216 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.309 9.899 26.141 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.125 9.565 25.191 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.612 12.482 23.368 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.607 14.179 27.127 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.386 14.629 24.631 1.00 0.00 H new ATOM 451 N VAL A 32 -0.885 7.519 24.341 1.00 0.00 N ATOM 452 CA VAL A 32 -0.744 6.108 24.000 1.00 0.00 C ATOM 453 C VAL A 32 -1.230 5.834 22.581 1.00 0.00 C ATOM 454 O VAL A 32 -0.729 4.935 21.906 1.00 0.00 O ATOM 455 CB VAL A 32 -1.525 5.213 24.981 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.506 3.765 24.513 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.953 5.336 26.385 1.00 0.00 C ATOM 0 H VAL A 32 -1.357 7.693 25.228 1.00 0.00 H new ATOM 0 HA VAL A 32 0.317 5.870 24.069 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.562 5.548 25.006 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.062 3.147 25.218 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.966 3.695 23.527 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.476 3.414 24.458 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.517 4.697 27.065 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.092 5.028 26.380 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.024 6.372 26.717 1.00 0.00 H new ATOM 467 N ARG A 33 -2.209 6.615 22.136 1.00 0.00 N ATOM 468 CA ARG A 33 -2.764 6.456 20.797 1.00 0.00 C ATOM 469 C ARG A 33 -1.865 7.114 19.754 1.00 0.00 C ATOM 470 O ARG A 33 -1.580 6.529 18.710 1.00 0.00 O ATOM 471 CB ARG A 33 -4.168 7.059 20.729 1.00 0.00 C ATOM 472 CG ARG A 33 -5.100 6.557 21.819 1.00 0.00 C ATOM 473 CD ARG A 33 -6.516 7.075 21.624 1.00 0.00 C ATOM 474 NE ARG A 33 -6.542 8.509 21.351 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.627 9.161 20.948 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.768 8.511 20.771 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.571 10.468 20.721 1.00 0.00 N ATOM 0 H ARG A 33 -2.634 7.364 22.683 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.823 5.390 20.580 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.092 8.144 20.799 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.605 6.832 19.756 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.107 5.467 21.819 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.727 6.874 22.793 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.987 6.540 20.799 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.105 6.865 22.517 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.680 9.039 21.477 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.815 7.507 20.944 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.599 9.015 20.462 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.695 10.972 20.856 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.404 10.968 20.412 1.00 0.00 H new ATOM 491 N GLN A 34 -1.422 8.333 20.047 1.00 0.00 N ATOM 492 CA GLN A 34 -0.557 9.070 19.133 1.00 0.00 C ATOM 493 C GLN A 34 0.757 8.329 18.911 1.00 0.00 C ATOM 494 O GLN A 34 1.181 8.125 17.774 1.00 0.00 O ATOM 495 CB GLN A 34 -0.280 10.472 19.680 1.00 0.00 C ATOM 496 CG GLN A 34 -1.296 11.511 19.234 1.00 0.00 C ATOM 497 CD GLN A 34 -1.113 12.843 19.933 1.00 0.00 C ATOM 498 OE1 GLN A 34 -0.900 13.871 19.288 1.00 0.00 O ATOM 499 NE2 GLN A 34 -1.195 12.833 21.258 1.00 0.00 N ATOM 0 H GLN A 34 -1.647 8.830 20.909 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.070 9.156 18.175 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.268 10.432 20.769 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.714 10.787 19.361 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.213 11.656 18.157 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.301 11.138 19.429 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.373 11.958 21.751 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.080 13.700 21.783 1.00 0.00 H new ATOM 508 N TRP A 35 1.397 7.929 20.004 1.00 0.00 N ATOM 509 CA TRP A 35 2.664 7.211 19.928 1.00 0.00 C ATOM 510 C TRP A 35 2.531 5.962 19.063 1.00 0.00 C ATOM 511 O TRP A 35 3.453 5.600 18.331 1.00 0.00 O ATOM 512 CB TRP A 35 3.141 6.826 21.330 1.00 0.00 C ATOM 513 CG TRP A 35 4.281 5.854 21.323 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.593 6.130 21.063 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.210 4.448 21.587 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.342 4.981 21.149 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.517 3.936 21.470 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.171 3.573 21.913 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.809 2.589 21.667 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.462 2.236 22.107 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.772 1.755 21.985 1.00 0.00 C ATOM 0 H TRP A 35 1.059 8.090 20.953 1.00 0.00 H new ATOM 0 HA TRP A 35 3.400 7.872 19.470 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.444 7.727 21.863 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.308 6.394 21.884 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.985 7.108 20.825 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.349 4.917 20.998 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.158 3.935 22.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.818 2.216 21.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.666 1.550 22.357 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.967 0.705 22.145 1.00 0.00 H new ATOM 532 N LEU A 36 1.378 5.308 19.150 1.00 0.00 N ATOM 533 CA LEU A 36 1.124 4.099 18.374 1.00 0.00 C ATOM 534 C LEU A 36 1.168 4.393 16.878 1.00 0.00 C ATOM 535 O LEU A 36 2.009 3.859 16.155 1.00 0.00 O ATOM 536 CB LEU A 36 -0.234 3.504 18.750 1.00 0.00 C ATOM 537 CG LEU A 36 -0.298 1.978 18.836 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.625 1.467 19.932 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.727 1.518 19.082 1.00 0.00 C ATOM 0 H LEU A 36 0.604 5.594 19.750 1.00 0.00 H new ATOM 0 HA LEU A 36 1.906 3.376 18.606 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.534 3.915 19.714 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.970 3.838 18.018 1.00 0.00 H new ATOM 0 HG LEU A 36 0.037 1.564 17.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.567 0.380 19.979 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.650 1.766 19.713 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.320 1.888 20.890 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.754 0.430 19.140 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.089 1.941 20.019 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.363 1.853 18.263 1.00 0.00 H new ATOM 551 N GLU A 37 0.256 5.246 16.421 1.00 0.00 N ATOM 552 CA GLU A 37 0.192 5.612 15.011 1.00 0.00 C ATOM 553 C GLU A 37 1.537 6.147 14.526 1.00 0.00 C ATOM 554 O GLU A 37 1.860 6.060 13.342 1.00 0.00 O ATOM 555 CB GLU A 37 -0.899 6.660 14.783 1.00 0.00 C ATOM 556 CG GLU A 37 -2.251 6.265 15.351 1.00 0.00 C ATOM 557 CD GLU A 37 -3.406 6.918 14.617 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.644 6.560 13.444 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.073 7.788 15.216 1.00 0.00 O ATOM 0 H GLU A 37 -0.448 5.696 17.006 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.050 4.716 14.440 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.586 7.602 15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.002 6.838 13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.360 5.182 15.301 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.293 6.541 16.405 1.00 0.00 H new ATOM 566 N TRP A 38 2.314 6.701 15.450 1.00 0.00 N ATOM 567 CA TRP A 38 3.623 7.251 15.117 1.00 0.00 C ATOM 568 C TRP A 38 4.606 6.141 14.764 1.00 0.00 C ATOM 569 O TRP A 38 5.120 6.086 13.647 1.00 0.00 O ATOM 570 CB TRP A 38 4.164 8.077 16.285 1.00 0.00 C ATOM 571 CG TRP A 38 5.611 8.437 16.138 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.160 9.258 15.194 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.694 7.987 16.959 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.519 9.344 15.379 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.871 8.575 16.456 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.784 7.146 18.072 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.120 8.346 17.027 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.025 6.920 18.637 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.179 7.519 18.115 1.00 0.00 C ATOM 0 H TRP A 38 2.061 6.781 16.435 1.00 0.00 H new ATOM 0 HA TRP A 38 3.507 7.898 14.247 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.577 8.991 16.377 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.029 7.517 17.210 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.607 9.765 14.417 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.161 9.892 14.807 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.900 6.681 18.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.011 8.805 16.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.107 6.270 19.496 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.134 7.324 18.581 1.00 0.00 H new ATOM 590 N ALA A 39 4.864 5.258 15.723 1.00 0.00 N ATOM 591 CA ALA A 39 5.785 4.148 15.512 1.00 0.00 C ATOM 592 C ALA A 39 5.406 3.350 14.269 1.00 0.00 C ATOM 593 O ALA A 39 6.263 2.741 13.627 1.00 0.00 O ATOM 594 CB ALA A 39 5.810 3.243 16.735 1.00 0.00 C ATOM 0 H ALA A 39 4.448 5.290 16.654 1.00 0.00 H new ATOM 0 HA ALA A 39 6.782 4.560 15.358 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.502 2.418 16.563 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.135 3.815 17.604 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.811 2.847 16.915 1.00 0.00 H new ATOM 600 N ILE A 40 4.120 3.356 13.936 1.00 0.00 N ATOM 601 CA ILE A 40 3.630 2.633 12.770 1.00 0.00 C ATOM 602 C ILE A 40 4.065 3.315 11.477 1.00 0.00 C ATOM 603 O ILE A 40 4.559 2.666 10.555 1.00 0.00 O ATOM 604 CB ILE A 40 2.094 2.517 12.784 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.629 1.765 14.033 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.604 1.818 11.525 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.226 2.125 14.467 1.00 0.00 C ATOM 0 H ILE A 40 3.399 3.854 14.458 1.00 0.00 H new ATOM 0 HA ILE A 40 4.062 1.633 12.814 1.00 0.00 H new ATOM 0 HB ILE A 40 1.669 3.520 12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.678 0.693 13.841 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.319 1.974 14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.517 1.744 11.550 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.909 2.391 10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.035 0.818 11.473 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.037 1.554 15.358 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.177 3.191 14.691 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.474 1.890 13.666 1.00 0.00 H new ATOM 619 N LYS A 41 3.879 4.630 11.417 1.00 0.00 N ATOM 620 CA LYS A 41 4.255 5.402 10.239 1.00 0.00 C ATOM 621 C LYS A 41 5.764 5.618 10.188 1.00 0.00 C ATOM 622 O LYS A 41 6.319 5.942 9.139 1.00 0.00 O ATOM 623 CB LYS A 41 3.536 6.754 10.240 1.00 0.00 C ATOM 624 CG LYS A 41 3.952 7.663 11.383 1.00 0.00 C ATOM 625 CD LYS A 41 3.389 9.064 11.213 1.00 0.00 C ATOM 626 CE LYS A 41 4.399 9.995 10.560 1.00 0.00 C ATOM 627 NZ LYS A 41 5.035 10.907 11.551 1.00 0.00 N ATOM 0 H LYS A 41 3.470 5.183 12.171 1.00 0.00 H new ATOM 0 HA LYS A 41 3.957 4.838 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.731 7.260 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.461 6.584 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.606 7.243 12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.040 7.711 11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.485 9.023 10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.101 9.462 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.169 9.405 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.903 10.585 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.717 11.525 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.303 11.489 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.530 10.345 12.273 1.00 0.00 H new ATOM 641 N GLU A 42 6.423 5.433 11.328 1.00 0.00 N ATOM 642 CA GLU A 42 7.868 5.607 11.411 1.00 0.00 C ATOM 643 C GLU A 42 8.593 4.306 11.078 1.00 0.00 C ATOM 644 O GLU A 42 9.437 4.264 10.183 1.00 0.00 O ATOM 645 CB GLU A 42 8.267 6.082 12.810 1.00 0.00 C ATOM 646 CG GLU A 42 9.767 6.246 12.992 1.00 0.00 C ATOM 647 CD GLU A 42 10.422 6.957 11.825 1.00 0.00 C ATOM 648 OE1 GLU A 42 10.430 8.206 11.820 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.927 6.265 10.915 1.00 0.00 O ATOM 0 H GLU A 42 5.979 5.163 12.206 1.00 0.00 H new ATOM 0 HA GLU A 42 8.160 6.362 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.778 7.035 13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.896 5.369 13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.959 6.806 13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.223 5.264 13.117 1.00 0.00 H new ATOM 656 N TYR A 43 8.256 3.246 11.805 1.00 0.00 N ATOM 657 CA TYR A 43 8.876 1.944 11.589 1.00 0.00 C ATOM 658 C TYR A 43 8.115 1.145 10.536 1.00 0.00 C ATOM 659 O TYR A 43 8.391 -0.034 10.315 1.00 0.00 O ATOM 660 CB TYR A 43 8.930 1.158 12.901 1.00 0.00 C ATOM 661 CG TYR A 43 9.529 1.937 14.050 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.673 2.705 13.872 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.952 1.905 15.313 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.225 3.418 14.918 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.496 2.616 16.365 1.00 0.00 C ATOM 666 CZ TYR A 43 10.632 3.371 16.163 1.00 0.00 C ATOM 667 OH TYR A 43 11.178 4.079 17.209 1.00 0.00 O ATOM 0 H TYR A 43 7.558 3.263 12.548 1.00 0.00 H new ATOM 0 HA TYR A 43 9.892 2.109 11.229 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.920 0.848 13.171 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.512 0.249 12.747 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.139 2.745 12.898 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.063 1.314 15.475 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.116 4.009 14.762 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.034 2.581 17.341 1.00 0.00 H new ATOM 0 HH TYR A 43 10.889 3.683 18.058 1.00 0.00 H new ATOM 677 N SER A 44 7.154 1.798 9.888 1.00 0.00 N ATOM 678 CA SER A 44 6.350 1.149 8.860 1.00 0.00 C ATOM 679 C SER A 44 5.761 -0.160 9.375 1.00 0.00 C ATOM 680 O SER A 44 6.100 -1.241 8.890 1.00 0.00 O ATOM 681 CB SER A 44 7.195 0.886 7.612 1.00 0.00 C ATOM 682 OG SER A 44 7.623 2.100 7.020 1.00 0.00 O ATOM 0 H SER A 44 6.914 2.775 10.057 1.00 0.00 H new ATOM 0 HA SER A 44 5.529 1.818 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.062 0.282 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.614 0.311 6.891 1.00 0.00 H new ATOM 0 HG SER A 44 8.162 1.904 6.226 1.00 0.00 H new ATOM 688 N LEU A 45 4.878 -0.057 10.362 1.00 0.00 N ATOM 689 CA LEU A 45 4.240 -1.232 10.945 1.00 0.00 C ATOM 690 C LEU A 45 2.882 -1.491 10.301 1.00 0.00 C ATOM 691 O LEU A 45 2.218 -0.565 9.836 1.00 0.00 O ATOM 692 CB LEU A 45 4.075 -1.051 12.455 1.00 0.00 C ATOM 693 CG LEU A 45 5.334 -0.646 13.224 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.059 -0.616 14.719 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.480 -1.596 12.910 1.00 0.00 C ATOM 0 H LEU A 45 4.587 0.829 10.776 1.00 0.00 H new ATOM 0 HA LEU A 45 4.881 -2.093 10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.309 -0.296 12.629 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.702 -1.986 12.874 1.00 0.00 H new ATOM 0 HG LEU A 45 5.623 0.356 12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.966 -0.326 15.250 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.269 0.105 14.929 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.745 -1.606 15.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.367 -1.292 13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.201 -2.610 13.197 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.694 -1.567 11.842 1.00 0.00 H new ATOM 707 N MET A 46 2.475 -2.756 10.280 1.00 0.00 N ATOM 708 CA MET A 46 1.194 -3.136 9.696 1.00 0.00 C ATOM 709 C MET A 46 0.548 -4.267 10.491 1.00 0.00 C ATOM 710 O MET A 46 1.199 -4.908 11.315 1.00 0.00 O ATOM 711 CB MET A 46 1.380 -3.564 8.239 1.00 0.00 C ATOM 712 CG MET A 46 2.015 -2.492 7.368 1.00 0.00 C ATOM 713 SD MET A 46 1.434 -2.549 5.662 1.00 0.00 S ATOM 714 CE MET A 46 2.675 -1.546 4.847 1.00 0.00 C ATOM 0 H MET A 46 3.013 -3.535 10.660 1.00 0.00 H new ATOM 0 HA MET A 46 0.536 -2.268 9.731 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.000 -4.460 8.208 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.410 -3.833 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.797 -1.511 7.789 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.098 -2.612 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.452 -1.486 3.782 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.671 -0.544 5.275 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.657 -1.997 4.988 1.00 0.00 H new ATOM 724 N GLU A 47 -0.735 -4.505 10.238 1.00 0.00 N ATOM 725 CA GLU A 47 -1.467 -5.557 10.932 1.00 0.00 C ATOM 726 C GLU A 47 -1.547 -5.269 12.428 1.00 0.00 C ATOM 727 O GLU A 47 -1.573 -6.188 13.247 1.00 0.00 O ATOM 728 CB GLU A 47 -0.799 -6.914 10.697 1.00 0.00 C ATOM 729 CG GLU A 47 -0.418 -7.162 9.247 1.00 0.00 C ATOM 730 CD GLU A 47 -0.793 -8.553 8.775 1.00 0.00 C ATOM 731 OE1 GLU A 47 -1.972 -8.760 8.418 1.00 0.00 O ATOM 732 OE2 GLU A 47 0.091 -9.435 8.763 1.00 0.00 O ATOM 0 H GLU A 47 -1.288 -3.984 9.558 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.480 -5.584 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.096 -6.981 11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.474 -7.704 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.910 -6.423 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.656 -7.019 9.128 1.00 0.00 H new ATOM 739 N ILE A 48 -1.584 -3.988 12.777 1.00 0.00 N ATOM 740 CA ILE A 48 -1.661 -3.578 14.173 1.00 0.00 C ATOM 741 C ILE A 48 -3.052 -3.058 14.518 1.00 0.00 C ATOM 742 O ILE A 48 -3.645 -2.292 13.759 1.00 0.00 O ATOM 743 CB ILE A 48 -0.622 -2.488 14.499 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.558 -2.248 16.008 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.961 -1.199 13.766 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.827 -1.899 16.507 1.00 0.00 C ATOM 0 H ILE A 48 -1.562 -3.215 12.111 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.447 -4.463 14.773 1.00 0.00 H new ATOM 0 HB ILE A 48 0.358 -2.828 14.163 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.243 -1.441 16.269 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.907 -3.142 16.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.218 -0.438 14.006 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.960 -1.381 12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.948 -0.853 14.075 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.797 -1.743 17.585 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.513 -2.715 16.278 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.171 -0.988 16.018 1.00 0.00 H new ATOM 758 N ASP A 49 -3.566 -3.478 15.669 1.00 0.00 N ATOM 759 CA ASP A 49 -4.887 -3.053 16.116 1.00 0.00 C ATOM 760 C ASP A 49 -4.783 -1.860 17.062 1.00 0.00 C ATOM 761 O ASP A 49 -4.692 -2.025 18.279 1.00 0.00 O ATOM 762 CB ASP A 49 -5.611 -4.208 16.810 1.00 0.00 C ATOM 763 CG ASP A 49 -7.061 -3.886 17.111 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.858 -3.792 16.154 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.400 -3.726 18.302 1.00 0.00 O ATOM 0 H ASP A 49 -3.088 -4.112 16.309 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.460 -2.750 15.239 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.563 -5.095 16.178 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.095 -4.450 17.739 1.00 0.00 H new ATOM 770 N THR A 50 -4.794 -0.658 16.495 1.00 0.00 N ATOM 771 CA THR A 50 -4.698 0.562 17.286 1.00 0.00 C ATOM 772 C THR A 50 -5.893 0.706 18.221 1.00 0.00 C ATOM 773 O THR A 50 -5.796 1.331 19.277 1.00 0.00 O ATOM 774 CB THR A 50 -4.611 1.809 16.387 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.790 1.916 15.582 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.383 1.746 15.491 1.00 0.00 C ATOM 0 H THR A 50 -4.869 -0.503 15.490 1.00 0.00 H new ATOM 0 HA THR A 50 -3.785 0.485 17.877 1.00 0.00 H new ATOM 0 HB THR A 50 -4.529 2.687 17.028 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.727 2.713 15.015 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.343 2.638 14.865 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.485 1.695 16.107 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.440 0.861 14.858 1.00 0.00 H new ATOM 784 N SER A 51 -7.021 0.122 17.827 1.00 0.00 N ATOM 785 CA SER A 51 -8.237 0.189 18.630 1.00 0.00 C ATOM 786 C SER A 51 -8.000 -0.385 20.023 1.00 0.00 C ATOM 787 O SER A 51 -8.550 0.104 21.010 1.00 0.00 O ATOM 788 CB SER A 51 -9.371 -0.571 17.939 1.00 0.00 C ATOM 789 OG SER A 51 -10.175 -1.256 18.884 1.00 0.00 O ATOM 0 H SER A 51 -7.118 -0.402 16.957 1.00 0.00 H new ATOM 0 HA SER A 51 -8.520 1.237 18.731 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.987 0.126 17.370 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.955 -1.283 17.227 1.00 0.00 H new ATOM 0 HG SER A 51 -10.893 -1.733 18.418 1.00 0.00 H new ATOM 795 N PHE A 52 -7.176 -1.425 20.096 1.00 0.00 N ATOM 796 CA PHE A 52 -6.866 -2.067 21.368 1.00 0.00 C ATOM 797 C PHE A 52 -6.346 -1.049 22.379 1.00 0.00 C ATOM 798 O PHE A 52 -6.488 -1.229 23.589 1.00 0.00 O ATOM 799 CB PHE A 52 -5.830 -3.175 21.165 1.00 0.00 C ATOM 800 CG PHE A 52 -5.982 -4.320 22.125 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.369 -4.285 23.368 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.736 -5.431 21.785 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.507 -5.337 24.254 1.00 0.00 C ATOM 804 CE2 PHE A 52 -6.877 -6.486 22.667 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.261 -6.440 23.902 1.00 0.00 C ATOM 0 H PHE A 52 -6.711 -1.841 19.289 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.785 -2.504 21.759 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.909 -3.553 20.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.831 -2.752 21.272 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.777 -3.426 23.647 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.219 -5.474 20.820 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.026 -5.297 25.220 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.469 -7.346 22.390 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.368 -7.264 24.591 1.00 0.00 H new ATOM 815 N PHE A 53 -5.743 0.022 21.874 1.00 0.00 N ATOM 816 CA PHE A 53 -5.200 1.070 22.732 1.00 0.00 C ATOM 817 C PHE A 53 -6.001 2.360 22.587 1.00 0.00 C ATOM 818 O PHE A 53 -5.485 3.452 22.823 1.00 0.00 O ATOM 819 CB PHE A 53 -3.731 1.327 22.391 1.00 0.00 C ATOM 820 CG PHE A 53 -2.909 0.073 22.296 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.876 -0.662 21.122 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.170 -0.370 23.381 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.121 -1.816 21.031 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.412 -1.523 23.295 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.389 -2.247 22.120 1.00 0.00 C ATOM 0 H PHE A 53 -5.618 0.188 20.875 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.272 0.733 23.766 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.675 1.861 21.443 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.299 1.979 23.150 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.447 -0.329 20.268 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.186 0.191 24.304 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.103 -2.380 20.110 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.838 -1.857 24.147 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.799 -3.149 22.052 1.00 0.00 H new ATOM 835 N GLN A 54 -7.265 2.225 22.197 1.00 0.00 N ATOM 836 CA GLN A 54 -8.136 3.380 22.020 1.00 0.00 C ATOM 837 C GLN A 54 -8.382 4.086 23.349 1.00 0.00 C ATOM 838 O GLN A 54 -8.734 5.264 23.382 1.00 0.00 O ATOM 839 CB GLN A 54 -9.469 2.950 21.403 1.00 0.00 C ATOM 840 CG GLN A 54 -10.304 2.066 22.315 1.00 0.00 C ATOM 841 CD GLN A 54 -11.668 2.658 22.612 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.929 3.121 23.723 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.548 2.646 21.617 1.00 0.00 N ATOM 0 H GLN A 54 -7.708 1.328 21.998 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.639 4.078 21.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.045 3.839 21.146 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.274 2.417 20.473 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.430 1.088 21.851 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.769 1.908 23.251 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.289 2.252 20.712 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.482 3.030 21.758 1.00 0.00 H new ATOM 852 N ASN A 55 -8.194 3.357 24.445 1.00 0.00 N ATOM 853 CA ASN A 55 -8.397 3.913 25.777 1.00 0.00 C ATOM 854 C ASN A 55 -7.415 3.306 26.775 1.00 0.00 C ATOM 855 O ASN A 55 -7.711 3.198 27.965 1.00 0.00 O ATOM 856 CB ASN A 55 -9.833 3.667 26.243 1.00 0.00 C ATOM 857 CG ASN A 55 -10.531 4.945 26.667 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.894 5.110 27.832 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.721 5.857 25.721 1.00 0.00 N ATOM 0 H ASN A 55 -7.901 2.380 24.436 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.219 4.987 25.726 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.398 3.198 25.438 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.826 2.966 27.078 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.184 6.737 25.947 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.404 5.678 24.768 1.00 0.00 H new ATOM 866 N MET A 56 -6.246 2.911 26.281 1.00 0.00 N ATOM 867 CA MET A 56 -5.221 2.316 27.130 1.00 0.00 C ATOM 868 C MET A 56 -4.234 3.374 27.614 1.00 0.00 C ATOM 869 O MET A 56 -3.303 3.742 26.898 1.00 0.00 O ATOM 870 CB MET A 56 -4.475 1.216 26.371 1.00 0.00 C ATOM 871 CG MET A 56 -3.530 0.408 27.246 1.00 0.00 C ATOM 872 SD MET A 56 -4.024 -1.320 27.389 1.00 0.00 S ATOM 873 CE MET A 56 -3.742 -1.893 25.715 1.00 0.00 C ATOM 0 H MET A 56 -5.985 2.992 25.298 1.00 0.00 H new ATOM 0 HA MET A 56 -5.713 1.879 27.999 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.202 0.542 25.917 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.907 1.668 25.558 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.523 0.461 26.832 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.490 0.854 28.240 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.181 -2.883 25.591 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.203 -1.201 25.011 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.670 -1.945 25.524 1.00 0.00 H new ATOM 883 N ASP A 57 -4.445 3.860 28.833 1.00 0.00 N ATOM 884 CA ASP A 57 -3.574 4.876 29.412 1.00 0.00 C ATOM 885 C ASP A 57 -2.136 4.373 29.499 1.00 0.00 C ATOM 886 O ASP A 57 -1.894 3.174 29.632 1.00 0.00 O ATOM 887 CB ASP A 57 -4.073 5.273 30.802 1.00 0.00 C ATOM 888 CG ASP A 57 -4.472 4.074 31.639 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.570 3.327 32.072 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.686 3.882 31.862 1.00 0.00 O ATOM 0 H ASP A 57 -5.211 3.567 29.439 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.595 5.751 28.763 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.292 5.830 31.320 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.928 5.942 30.701 1.00 0.00 H new ATOM 895 N GLY A 58 -1.185 5.299 29.423 1.00 0.00 N ATOM 896 CA GLY A 58 0.217 4.930 29.493 1.00 0.00 C ATOM 897 C GLY A 58 0.495 3.918 30.587 1.00 0.00 C ATOM 898 O GLY A 58 1.341 3.038 30.428 1.00 0.00 O ATOM 0 H GLY A 58 -1.360 6.298 29.314 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.530 4.519 28.533 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.817 5.823 29.667 1.00 0.00 H new ATOM 902 N LYS A 59 -0.217 4.042 31.702 1.00 0.00 N ATOM 903 CA LYS A 59 -0.042 3.132 32.827 1.00 0.00 C ATOM 904 C LYS A 59 -0.382 1.700 32.426 1.00 0.00 C ATOM 905 O LYS A 59 0.368 0.770 32.719 1.00 0.00 O ATOM 906 CB LYS A 59 -0.921 3.567 34.002 1.00 0.00 C ATOM 907 CG LYS A 59 -0.612 4.965 34.508 1.00 0.00 C ATOM 908 CD LYS A 59 0.329 4.930 35.701 1.00 0.00 C ATOM 909 CE LYS A 59 1.696 4.387 35.316 1.00 0.00 C ATOM 910 NZ LYS A 59 1.804 2.924 35.573 1.00 0.00 N ATOM 0 H LYS A 59 -0.921 4.765 31.850 1.00 0.00 H new ATOM 0 HA LYS A 59 1.004 3.166 33.132 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.967 3.523 33.698 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.796 2.858 34.820 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.164 5.552 33.707 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.539 5.465 34.789 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.437 5.935 36.110 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.102 4.310 36.487 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.881 4.585 34.260 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.467 4.913 35.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.562 2.748 36.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.902 2.571 35.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.023 2.431 34.684 1.00 0.00 H new ATOM 924 N GLU A 60 -1.517 1.532 31.754 1.00 0.00 N ATOM 925 CA GLU A 60 -1.954 0.213 31.313 1.00 0.00 C ATOM 926 C GLU A 60 -1.189 -0.226 30.068 1.00 0.00 C ATOM 927 O GLU A 60 -1.245 -1.391 29.669 1.00 0.00 O ATOM 928 CB GLU A 60 -3.457 0.219 31.026 1.00 0.00 C ATOM 929 CG GLU A 60 -4.316 0.264 32.278 1.00 0.00 C ATOM 930 CD GLU A 60 -4.665 -1.118 32.796 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.030 -1.985 31.973 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.574 -1.334 34.022 1.00 0.00 O ATOM 0 H GLU A 60 -2.149 2.292 31.504 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.747 -0.497 32.114 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.695 1.080 30.401 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.712 -0.672 30.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.789 0.817 33.056 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.235 0.811 32.064 1.00 0.00 H new ATOM 939 N LEU A 61 -0.475 0.713 29.458 1.00 0.00 N ATOM 940 CA LEU A 61 0.302 0.425 28.258 1.00 0.00 C ATOM 941 C LEU A 61 1.710 -0.038 28.618 1.00 0.00 C ATOM 942 O LEU A 61 2.282 -0.899 27.949 1.00 0.00 O ATOM 943 CB LEU A 61 0.373 1.663 27.363 1.00 0.00 C ATOM 944 CG LEU A 61 1.488 1.672 26.316 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.283 0.552 25.308 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.549 3.020 25.613 1.00 0.00 C ATOM 0 H LEU A 61 -0.418 1.681 29.775 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.197 -0.379 27.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.582 1.770 26.848 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.492 2.540 27.999 1.00 0.00 H new ATOM 0 HG LEU A 61 2.438 1.506 26.824 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.086 0.574 24.571 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.291 -0.408 25.824 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.325 0.686 24.805 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.348 3.008 24.872 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.598 3.216 25.118 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.745 3.804 26.345 1.00 0.00 H new ATOM 958 N CYS A 62 2.263 0.539 29.680 1.00 0.00 N ATOM 959 CA CYS A 62 3.604 0.185 30.131 1.00 0.00 C ATOM 960 C CYS A 62 3.591 -1.138 30.890 1.00 0.00 C ATOM 961 O CYS A 62 4.632 -1.764 31.088 1.00 0.00 O ATOM 962 CB CYS A 62 4.174 1.291 31.020 1.00 0.00 C ATOM 963 SG CYS A 62 3.402 1.399 32.651 1.00 0.00 S ATOM 0 H CYS A 62 1.803 1.254 30.244 1.00 0.00 H new ATOM 0 HA CYS A 62 4.238 0.072 29.252 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.244 1.125 31.147 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.058 2.248 30.511 1.00 0.00 H new ATOM 0 HG CYS A 62 2.137 1.117 32.552 1.00 0.00 H new ATOM 969 N LYS A 63 2.404 -1.558 31.316 1.00 0.00 N ATOM 970 CA LYS A 63 2.253 -2.807 32.054 1.00 0.00 C ATOM 971 C LYS A 63 2.022 -3.977 31.103 1.00 0.00 C ATOM 972 O LYS A 63 2.284 -5.129 31.447 1.00 0.00 O ATOM 973 CB LYS A 63 1.090 -2.701 33.042 1.00 0.00 C ATOM 974 CG LYS A 63 -0.277 -2.755 32.381 1.00 0.00 C ATOM 975 CD LYS A 63 -1.395 -2.736 33.409 1.00 0.00 C ATOM 976 CE LYS A 63 -1.743 -4.140 33.880 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.174 -4.469 33.633 1.00 0.00 N ATOM 0 H LYS A 63 1.532 -1.051 31.163 1.00 0.00 H new ATOM 0 HA LYS A 63 3.175 -2.988 32.606 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.166 -3.511 33.767 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.179 -1.767 33.597 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.389 -1.907 31.705 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.354 -3.658 31.775 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.095 -2.128 34.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.279 -2.266 32.978 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.110 -4.863 33.365 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.528 -4.229 34.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.371 -5.434 33.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.779 -3.795 34.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.373 -4.409 32.614 1.00 0.00 H new ATOM 991 N MET A 64 1.532 -3.672 29.906 1.00 0.00 N ATOM 992 CA MET A 64 1.269 -4.700 28.905 1.00 0.00 C ATOM 993 C MET A 64 2.496 -5.580 28.694 1.00 0.00 C ATOM 994 O MET A 64 3.625 -5.156 28.936 1.00 0.00 O ATOM 995 CB MET A 64 0.854 -4.057 27.580 1.00 0.00 C ATOM 996 CG MET A 64 -0.548 -3.469 27.602 1.00 0.00 C ATOM 997 SD MET A 64 -1.731 -4.459 26.669 1.00 0.00 S ATOM 998 CE MET A 64 -0.988 -4.427 25.039 1.00 0.00 C ATOM 0 H MET A 64 1.309 -2.723 29.606 1.00 0.00 H new ATOM 0 HA MET A 64 0.454 -5.326 29.268 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.565 -3.270 27.329 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.913 -4.804 26.789 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.886 -3.384 28.635 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.521 -2.460 27.191 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.771 -4.461 24.281 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.408 -3.511 24.921 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.332 -5.289 24.921 1.00 0.00 H new ATOM 1008 N ASN A 65 2.267 -6.809 28.241 1.00 0.00 N ATOM 1009 CA ASN A 65 3.355 -7.749 27.998 1.00 0.00 C ATOM 1010 C ASN A 65 3.337 -8.241 26.554 1.00 0.00 C ATOM 1011 O ASN A 65 2.464 -7.868 25.770 1.00 0.00 O ATOM 1012 CB ASN A 65 3.251 -8.939 28.955 1.00 0.00 C ATOM 1013 CG ASN A 65 2.689 -8.546 30.307 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.123 -7.564 30.911 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.719 -9.313 30.790 1.00 0.00 N ATOM 0 H ASN A 65 1.338 -7.177 28.035 1.00 0.00 H new ATOM 0 HA ASN A 65 4.297 -7.230 28.174 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.617 -9.705 28.510 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.238 -9.381 29.089 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.302 -9.098 31.696 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.390 -10.117 30.255 1.00 0.00 H new ATOM 1022 N LYS A 66 4.307 -9.080 26.209 1.00 0.00 N ATOM 1023 CA LYS A 66 4.404 -9.626 24.860 1.00 0.00 C ATOM 1024 C LYS A 66 3.077 -10.240 24.425 1.00 0.00 C ATOM 1025 O LYS A 66 2.622 -10.024 23.303 1.00 0.00 O ATOM 1026 CB LYS A 66 5.512 -10.679 24.791 1.00 0.00 C ATOM 1027 CG LYS A 66 5.798 -11.170 23.383 1.00 0.00 C ATOM 1028 CD LYS A 66 7.102 -10.603 22.848 1.00 0.00 C ATOM 1029 CE LYS A 66 7.336 -11.011 21.402 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.659 -11.670 21.219 1.00 0.00 N ATOM 0 H LYS A 66 5.038 -9.397 26.845 1.00 0.00 H new ATOM 0 HA LYS A 66 4.646 -8.808 24.181 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.426 -10.261 25.213 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.233 -11.529 25.413 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.845 -12.259 23.379 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.978 -10.884 22.724 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.085 -9.516 22.922 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.931 -10.951 23.464 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.545 -11.690 21.084 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.277 -10.131 20.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.810 -11.872 20.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.411 -11.039 21.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.681 -12.560 21.757 1.00 0.00 H new ATOM 1044 N GLU A 67 2.462 -11.004 25.322 1.00 0.00 N ATOM 1045 CA GLU A 67 1.187 -11.649 25.030 1.00 0.00 C ATOM 1046 C GLU A 67 0.092 -10.610 24.800 1.00 0.00 C ATOM 1047 O GLU A 67 -0.552 -10.593 23.751 1.00 0.00 O ATOM 1048 CB GLU A 67 0.787 -12.582 26.175 1.00 0.00 C ATOM 1049 CG GLU A 67 0.811 -14.053 25.797 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.499 -14.755 26.101 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.565 -14.151 25.862 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.456 -15.908 26.578 1.00 0.00 O ATOM 0 H GLU A 67 2.826 -11.191 26.256 1.00 0.00 H new ATOM 0 HA GLU A 67 1.306 -12.235 24.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.461 -12.421 27.016 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.215 -12.319 26.514 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.031 -14.148 24.734 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.618 -14.549 26.335 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.111 -9.746 25.788 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.127 -8.703 25.695 1.00 0.00 C ATOM 1061 C ASP A 68 -0.929 -7.863 24.437 1.00 0.00 C ATOM 1062 O ASP A 68 -1.893 -7.383 23.840 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.084 -7.807 26.934 1.00 0.00 C ATOM 1064 CG ASP A 68 -0.951 -8.602 28.218 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.566 -9.684 28.312 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.233 -8.140 29.130 1.00 0.00 O ATOM 0 H ASP A 68 0.414 -9.747 26.663 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.103 -9.185 25.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.246 -7.115 26.850 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.992 -7.205 26.975 1.00 0.00 H new ATOM 1071 N PHE A 69 0.327 -7.688 24.040 1.00 0.00 N ATOM 1072 CA PHE A 69 0.652 -6.904 22.854 1.00 0.00 C ATOM 1073 C PHE A 69 0.399 -7.710 21.583 1.00 0.00 C ATOM 1074 O PHE A 69 -0.033 -7.166 20.566 1.00 0.00 O ATOM 1075 CB PHE A 69 2.112 -6.449 22.902 1.00 0.00 C ATOM 1076 CG PHE A 69 2.295 -5.078 23.488 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.844 -3.956 22.812 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.916 -4.912 24.715 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.011 -2.694 23.349 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.086 -3.652 25.257 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.632 -2.541 24.573 1.00 0.00 C ATOM 0 H PHE A 69 1.137 -8.079 24.522 1.00 0.00 H new ATOM 0 HA PHE A 69 0.006 -6.026 22.841 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.688 -7.165 23.488 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.521 -6.461 21.892 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.357 -4.069 21.855 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.272 -5.777 25.255 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.656 -1.827 22.812 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.573 -3.536 26.214 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.762 -1.555 24.994 1.00 0.00 H new ATOM 1091 N LEU A 70 0.673 -9.008 21.649 1.00 0.00 N ATOM 1092 CA LEU A 70 0.477 -9.890 20.504 1.00 0.00 C ATOM 1093 C LEU A 70 -1.008 -10.070 20.204 1.00 0.00 C ATOM 1094 O LEU A 70 -1.384 -10.484 19.107 1.00 0.00 O ATOM 1095 CB LEU A 70 1.125 -11.251 20.766 1.00 0.00 C ATOM 1096 CG LEU A 70 2.498 -11.474 20.132 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.053 -12.834 20.525 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.413 -11.348 18.618 1.00 0.00 C ATOM 0 H LEU A 70 1.031 -9.473 22.483 1.00 0.00 H new ATOM 0 HA LEU A 70 0.951 -9.430 19.637 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.219 -11.385 21.844 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.450 -12.028 20.406 1.00 0.00 H new ATOM 0 HG LEU A 70 3.177 -10.706 20.503 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.031 -12.975 20.064 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.152 -12.887 21.609 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.375 -13.616 20.184 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.399 -11.510 18.183 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.719 -12.093 18.229 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.060 -10.351 18.355 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.847 -9.755 21.185 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.291 -9.882 21.026 1.00 0.00 C ATOM 1112 C ARG A 71 -3.867 -8.665 20.308 1.00 0.00 C ATOM 1113 O ARG A 71 -5.076 -8.572 20.096 1.00 0.00 O ATOM 1114 CB ARG A 71 -3.963 -10.048 22.390 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.678 -11.387 23.050 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.742 -11.739 24.078 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.654 -13.135 24.500 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.441 -13.674 25.425 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.369 -12.938 26.021 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.301 -14.951 25.754 1.00 0.00 N ATOM 0 H ARG A 71 -1.552 -9.410 22.098 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.489 -10.767 20.421 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.628 -9.248 23.050 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.040 -9.933 22.271 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.633 -12.167 22.289 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.701 -11.356 23.532 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.635 -11.090 24.947 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.729 -11.549 23.658 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.950 -13.728 24.061 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.480 -11.956 25.770 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.972 -13.354 26.731 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.589 -15.520 25.297 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.906 -15.364 26.464 1.00 0.00 H new ATOM 1134 N ALA A 72 -2.993 -7.735 19.937 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.415 -6.525 19.241 1.00 0.00 C ATOM 1136 C ALA A 72 -2.533 -6.254 18.027 1.00 0.00 C ATOM 1137 O ALA A 72 -3.017 -5.833 16.976 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.390 -5.335 20.190 1.00 0.00 C ATOM 0 H ALA A 72 -1.989 -7.796 20.107 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.436 -6.675 18.889 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.707 -4.438 19.658 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.067 -5.520 21.024 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.378 -5.193 20.569 1.00 0.00 H new ATOM 1144 N THR A 73 -1.235 -6.498 18.178 1.00 0.00 N ATOM 1145 CA THR A 73 -0.285 -6.279 17.094 1.00 0.00 C ATOM 1146 C THR A 73 0.465 -7.561 16.752 1.00 0.00 C ATOM 1147 O THR A 73 0.586 -8.462 17.583 1.00 0.00 O ATOM 1148 CB THR A 73 0.734 -5.181 17.454 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.407 -4.731 16.273 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.754 -5.698 18.458 1.00 0.00 C ATOM 0 H THR A 73 -0.817 -6.847 19.041 1.00 0.00 H new ATOM 0 HA THR A 73 -0.863 -5.958 16.227 1.00 0.00 H new ATOM 0 HB THR A 73 0.194 -4.348 17.904 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.750 -4.564 15.565 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.463 -4.905 18.697 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.242 -6.013 19.367 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.288 -6.546 18.030 1.00 0.00 H new ATOM 1158 N THR A 74 0.968 -7.637 15.524 1.00 0.00 N ATOM 1159 CA THR A 74 1.706 -8.810 15.072 1.00 0.00 C ATOM 1160 C THR A 74 2.977 -9.009 15.891 1.00 0.00 C ATOM 1161 O THR A 74 3.399 -8.116 16.627 1.00 0.00 O ATOM 1162 CB THR A 74 2.081 -8.698 13.582 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.748 -9.891 13.154 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.978 -7.494 13.339 1.00 0.00 C ATOM 0 H THR A 74 0.878 -6.900 14.825 1.00 0.00 H new ATOM 0 HA THR A 74 1.050 -9.669 15.210 1.00 0.00 H new ATOM 0 HB THR A 74 1.164 -8.569 13.007 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.982 -9.813 12.205 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.230 -7.436 12.280 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.456 -6.585 13.639 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.892 -7.597 13.924 1.00 0.00 H new ATOM 1172 N LEU A 75 3.583 -10.184 15.757 1.00 0.00 N ATOM 1173 CA LEU A 75 4.807 -10.500 16.484 1.00 0.00 C ATOM 1174 C LEU A 75 5.910 -9.499 16.154 1.00 0.00 C ATOM 1175 O LEU A 75 6.528 -8.922 17.050 1.00 0.00 O ATOM 1176 CB LEU A 75 5.272 -11.918 16.149 1.00 0.00 C ATOM 1177 CG LEU A 75 6.711 -12.261 16.533 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.906 -12.139 18.036 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.070 -13.663 16.059 1.00 0.00 C ATOM 0 H LEU A 75 3.247 -10.933 15.152 1.00 0.00 H new ATOM 0 HA LEU A 75 4.593 -10.438 17.551 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.607 -12.624 16.646 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.157 -12.073 15.076 1.00 0.00 H new ATOM 0 HG LEU A 75 7.377 -11.551 16.042 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.936 -12.387 18.291 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.691 -11.117 18.349 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.231 -12.825 18.547 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.098 -13.890 16.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.398 -14.386 16.521 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.971 -13.717 14.975 1.00 0.00 H new ATOM 1191 N TYR A 76 6.152 -9.298 14.863 1.00 0.00 N ATOM 1192 CA TYR A 76 7.180 -8.367 14.415 1.00 0.00 C ATOM 1193 C TYR A 76 7.041 -7.020 15.118 1.00 0.00 C ATOM 1194 O TYR A 76 8.006 -6.493 15.670 1.00 0.00 O ATOM 1195 CB TYR A 76 7.098 -8.175 12.899 1.00 0.00 C ATOM 1196 CG TYR A 76 8.174 -7.270 12.344 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.069 -5.888 12.447 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.297 -7.797 11.718 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.050 -5.058 11.940 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.284 -6.974 11.210 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.155 -5.605 11.323 1.00 0.00 C ATOM 1202 OH TYR A 76 11.135 -4.781 10.818 1.00 0.00 O ATOM 0 H TYR A 76 5.650 -9.767 14.109 1.00 0.00 H new ATOM 0 HA TYR A 76 8.152 -8.790 14.669 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.168 -9.148 12.414 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.122 -7.762 12.646 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.206 -5.456 12.932 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.400 -8.868 11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.952 -3.986 12.027 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.151 -7.400 10.727 1.00 0.00 H new ATOM 0 HH TYR A 76 11.845 -5.325 10.417 1.00 0.00 H new ATOM 1212 N ASN A 77 5.832 -6.470 15.093 1.00 0.00 N ATOM 1213 CA ASN A 77 5.564 -5.184 15.727 1.00 0.00 C ATOM 1214 C ASN A 77 5.701 -5.287 17.244 1.00 0.00 C ATOM 1215 O ASN A 77 6.160 -4.353 17.902 1.00 0.00 O ATOM 1216 CB ASN A 77 4.162 -4.694 15.363 1.00 0.00 C ATOM 1217 CG ASN A 77 4.034 -4.347 13.892 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.033 -4.228 13.182 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.801 -4.183 13.427 1.00 0.00 N ATOM 0 H ASN A 77 5.022 -6.894 14.641 1.00 0.00 H new ATOM 0 HA ASN A 77 6.298 -4.467 15.361 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.434 -5.464 15.616 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.920 -3.817 15.963 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.653 -3.949 12.445 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.002 -4.291 14.051 1.00 0.00 H new ATOM 1226 N THR A 78 5.300 -6.430 17.792 1.00 0.00 N ATOM 1227 CA THR A 78 5.377 -6.655 19.230 1.00 0.00 C ATOM 1228 C THR A 78 6.805 -6.494 19.736 1.00 0.00 C ATOM 1229 O THR A 78 7.027 -6.075 20.872 1.00 0.00 O ATOM 1230 CB THR A 78 4.866 -8.059 19.606 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.495 -8.201 19.220 1.00 0.00 O ATOM 1232 CG2 THR A 78 5.004 -8.302 21.102 1.00 0.00 C ATOM 0 H THR A 78 4.919 -7.214 17.262 1.00 0.00 H new ATOM 0 HA THR A 78 4.741 -5.906 19.702 1.00 0.00 H new ATOM 0 HB THR A 78 5.470 -8.795 19.076 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.447 -8.504 18.289 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.637 -9.299 21.344 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.053 -8.222 21.388 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.421 -7.559 21.647 1.00 0.00 H new ATOM 1240 N GLU A 79 7.771 -6.829 18.886 1.00 0.00 N ATOM 1241 CA GLU A 79 9.179 -6.721 19.249 1.00 0.00 C ATOM 1242 C GLU A 79 9.637 -5.265 19.227 1.00 0.00 C ATOM 1243 O GLU A 79 10.410 -4.832 20.081 1.00 0.00 O ATOM 1244 CB GLU A 79 10.040 -7.552 18.296 1.00 0.00 C ATOM 1245 CG GLU A 79 10.144 -9.016 18.690 1.00 0.00 C ATOM 1246 CD GLU A 79 11.578 -9.508 18.735 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.095 -9.926 17.678 1.00 0.00 O ATOM 1248 OE2 GLU A 79 12.182 -9.474 19.827 1.00 0.00 O ATOM 0 H GLU A 79 7.604 -7.177 17.942 1.00 0.00 H new ATOM 0 HA GLU A 79 9.296 -7.106 20.262 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.624 -7.484 17.291 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.041 -7.123 18.257 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.684 -9.159 19.668 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.579 -9.620 17.981 1.00 0.00 H new ATOM 1255 N VAL A 80 9.153 -4.515 18.242 1.00 0.00 N ATOM 1256 CA VAL A 80 9.511 -3.108 18.107 1.00 0.00 C ATOM 1257 C VAL A 80 8.963 -2.287 19.270 1.00 0.00 C ATOM 1258 O VAL A 80 9.716 -1.630 19.989 1.00 0.00 O ATOM 1259 CB VAL A 80 8.985 -2.519 16.785 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.250 -1.022 16.723 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.615 -3.230 15.597 1.00 0.00 C ATOM 0 H VAL A 80 8.512 -4.858 17.526 1.00 0.00 H new ATOM 0 HA VAL A 80 10.600 -3.057 18.111 1.00 0.00 H new ATOM 0 HB VAL A 80 7.907 -2.674 16.742 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.871 -0.624 15.782 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.746 -0.529 17.554 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.323 -0.839 16.789 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.232 -2.801 14.671 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.698 -3.108 15.633 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.368 -4.291 15.635 1.00 0.00 H new ATOM 1271 N LEU A 81 7.648 -2.331 19.449 1.00 0.00 N ATOM 1272 CA LEU A 81 6.998 -1.592 20.526 1.00 0.00 C ATOM 1273 C LEU A 81 7.662 -1.886 21.867 1.00 0.00 C ATOM 1274 O LEU A 81 8.081 -0.971 22.578 1.00 0.00 O ATOM 1275 CB LEU A 81 5.512 -1.949 20.591 1.00 0.00 C ATOM 1276 CG LEU A 81 4.685 -1.611 19.349 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.307 -2.248 19.436 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.568 -0.104 19.180 1.00 0.00 C ATOM 0 H LEU A 81 7.011 -2.870 18.863 1.00 0.00 H new ATOM 0 HA LEU A 81 7.101 -0.527 20.316 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.424 -3.019 20.782 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.073 -1.436 21.446 1.00 0.00 H new ATOM 0 HG LEU A 81 5.195 -2.016 18.475 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.733 -1.997 18.544 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.411 -3.331 19.508 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.788 -1.874 20.319 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.977 0.118 18.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.081 0.324 20.056 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.563 0.328 19.071 1.00 0.00 H new ATOM 1290 N LEU A 82 7.757 -3.166 22.206 1.00 0.00 N ATOM 1291 CA LEU A 82 8.374 -3.582 23.461 1.00 0.00 C ATOM 1292 C LEU A 82 9.791 -3.031 23.581 1.00 0.00 C ATOM 1293 O LEU A 82 10.181 -2.517 24.629 1.00 0.00 O ATOM 1294 CB LEU A 82 8.398 -5.108 23.559 1.00 0.00 C ATOM 1295 CG LEU A 82 7.192 -5.757 24.239 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.204 -5.472 25.733 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.897 -5.263 23.611 1.00 0.00 C ATOM 0 H LEU A 82 7.415 -3.935 21.630 1.00 0.00 H new ATOM 0 HA LEU A 82 7.778 -3.181 24.280 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.484 -5.515 22.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.297 -5.403 24.100 1.00 0.00 H new ATOM 0 HG LEU A 82 7.255 -6.836 24.095 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.338 -5.942 26.200 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.117 -5.874 26.173 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.166 -4.395 25.898 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.049 -5.735 24.107 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.827 -4.181 23.724 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.886 -5.519 22.551 1.00 0.00 H new ATOM 1309 N SER A 83 10.556 -3.138 22.499 1.00 0.00 N ATOM 1310 CA SER A 83 11.930 -2.652 22.483 1.00 0.00 C ATOM 1311 C SER A 83 11.976 -1.144 22.713 1.00 0.00 C ATOM 1312 O SER A 83 12.805 -0.645 23.474 1.00 0.00 O ATOM 1313 CB SER A 83 12.600 -2.997 21.151 1.00 0.00 C ATOM 1314 OG SER A 83 13.205 -4.277 21.202 1.00 0.00 O ATOM 0 H SER A 83 10.247 -3.557 21.622 1.00 0.00 H new ATOM 0 HA SER A 83 12.472 -3.142 23.292 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.860 -2.972 20.351 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.352 -2.245 20.913 1.00 0.00 H new ATOM 0 HG SER A 83 12.573 -4.951 20.875 1.00 0.00 H new ATOM 1320 N HIS A 84 11.078 -0.423 22.048 1.00 0.00 N ATOM 1321 CA HIS A 84 11.014 1.028 22.179 1.00 0.00 C ATOM 1322 C HIS A 84 10.640 1.429 23.603 1.00 0.00 C ATOM 1323 O HIS A 84 11.395 2.126 24.282 1.00 0.00 O ATOM 1324 CB HIS A 84 10.000 1.606 21.191 1.00 0.00 C ATOM 1325 CG HIS A 84 10.159 3.078 20.964 1.00 0.00 C ATOM 1326 ND1 HIS A 84 10.925 3.760 20.080 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.482 4.030 21.696 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.698 5.097 20.291 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.823 5.234 21.271 1.00 0.00 N flip ATOM 0 H HIS A 84 10.385 -0.820 21.413 1.00 0.00 H new ATOM 0 HA HIS A 84 12.001 1.432 21.954 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.097 1.087 20.238 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.993 1.410 21.560 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.782 3.824 22.492 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.160 5.906 19.744 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.471 6.118 21.637 1.00 0.00 H new ATOM 1337 N LEU A 85 9.470 0.985 24.050 1.00 0.00 N ATOM 1338 CA LEU A 85 8.995 1.297 25.393 1.00 0.00 C ATOM 1339 C LEU A 85 10.006 0.853 26.445 1.00 0.00 C ATOM 1340 O LEU A 85 10.138 1.479 27.496 1.00 0.00 O ATOM 1341 CB LEU A 85 7.646 0.623 25.648 1.00 0.00 C ATOM 1342 CG LEU A 85 6.537 1.524 26.193 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.551 1.883 25.092 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.822 0.847 27.353 1.00 0.00 C ATOM 0 H LEU A 85 8.833 0.408 23.501 1.00 0.00 H new ATOM 0 HA LEU A 85 8.873 2.378 25.467 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.301 0.181 24.713 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.799 -0.196 26.350 1.00 0.00 H new ATOM 0 HG LEU A 85 6.990 2.445 26.560 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.769 2.524 25.499 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.073 2.410 24.293 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.103 0.973 24.694 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.036 1.502 27.728 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.381 -0.090 27.012 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.536 0.643 28.151 1.00 0.00 H new ATOM 1356 N SER A 86 10.718 -0.231 26.154 1.00 0.00 N ATOM 1357 CA SER A 86 11.716 -0.760 27.076 1.00 0.00 C ATOM 1358 C SER A 86 12.702 0.327 27.491 1.00 0.00 C ATOM 1359 O SER A 86 13.057 0.444 28.664 1.00 0.00 O ATOM 1360 CB SER A 86 12.467 -1.927 26.432 1.00 0.00 C ATOM 1361 OG SER A 86 13.849 -1.878 26.743 1.00 0.00 O ATOM 0 H SER A 86 10.622 -0.760 25.287 1.00 0.00 H new ATOM 0 HA SER A 86 11.199 -1.117 27.967 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.046 -2.870 26.780 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.333 -1.897 25.351 1.00 0.00 H new ATOM 0 HG SER A 86 14.306 -2.635 26.321 1.00 0.00 H new ATOM 1367 N TYR A 87 13.142 1.120 26.520 1.00 0.00 N ATOM 1368 CA TYR A 87 14.090 2.196 26.783 1.00 0.00 C ATOM 1369 C TYR A 87 13.409 3.358 27.500 1.00 0.00 C ATOM 1370 O TYR A 87 13.847 3.786 28.569 1.00 0.00 O ATOM 1371 CB TYR A 87 14.714 2.685 25.475 1.00 0.00 C ATOM 1372 CG TYR A 87 15.576 3.917 25.638 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.826 3.839 26.240 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.140 5.158 25.193 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.617 4.961 26.392 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.924 6.286 25.339 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.162 6.182 25.940 1.00 0.00 C ATOM 1378 OH TYR A 87 17.946 7.303 26.089 1.00 0.00 O ATOM 0 H TYR A 87 12.857 1.038 25.544 1.00 0.00 H new ATOM 0 HA TYR A 87 14.876 1.804 27.429 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.317 1.884 25.048 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.919 2.900 24.761 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.185 2.884 26.595 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.171 5.243 24.724 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.586 4.883 26.862 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.570 7.243 24.985 1.00 0.00 H new ATOM 0 HH TYR A 87 17.479 8.080 25.717 1.00 0.00 H new ATOM 1388 N LEU A 88 12.335 3.865 26.905 1.00 0.00 N ATOM 1389 CA LEU A 88 11.591 4.977 27.486 1.00 0.00 C ATOM 1390 C LEU A 88 11.206 4.679 28.931 1.00 0.00 C ATOM 1391 O LEU A 88 11.069 5.590 29.748 1.00 0.00 O ATOM 1392 CB LEU A 88 10.336 5.264 26.660 1.00 0.00 C ATOM 1393 CG LEU A 88 10.551 6.036 25.358 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.215 5.150 24.315 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.229 6.579 24.835 1.00 0.00 C ATOM 0 H LEU A 88 11.960 3.524 26.020 1.00 0.00 H new ATOM 0 HA LEU A 88 12.234 5.857 27.475 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.858 4.314 26.421 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.637 5.825 27.281 1.00 0.00 H new ATOM 0 HG LEU A 88 11.211 6.879 25.563 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.360 5.717 23.395 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.181 4.810 24.688 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.580 4.287 24.113 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.401 7.126 23.908 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.545 5.752 24.647 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.793 7.249 25.575 1.00 0.00 H new