USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 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 52:sc= -3.72! USER MOD Set 1.2: A 77 ASN : amide:sc= -7.73! C(o=-11!,f=-13!) USER MOD Set 2.1: A 56 MET CE :methyl -155:sc= -3.03 (180deg=-5.4!) USER MOD Set 2.2: A 64 MET CE :methyl -139:sc= -0.409 (180deg=-2.89!) USER MOD Set 3.1: A 43 TYR OH : rot -119:sc= 0.695 USER MOD Set 3.2: A 84 HIS :FLIP no HD1:sc= -0.0854 F(o=-0.93,f=0.61) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 31 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-3.6!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.025) 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 K(o=0,f=-1) USER MOD Single : A 55 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.45) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc=-0.000786 (180deg=-0.11) USER MOD Single : A 62 CYS SG : rot -37:sc= -3.07! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.9) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 72:sc= 1.02 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 89:sc=0.000953 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.340 13.859 23.094 1.00 0.00 N ATOM 266 CA VAL A 20 5.092 13.046 24.279 1.00 0.00 C ATOM 267 C VAL A 20 6.265 13.117 25.250 1.00 0.00 C ATOM 268 O VAL A 20 7.404 13.385 24.867 1.00 0.00 O ATOM 269 CB VAL A 20 4.837 11.574 23.906 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.455 11.410 23.291 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.914 11.071 22.957 1.00 0.00 C ATOM 0 HA VAL A 20 4.202 13.451 24.760 1.00 0.00 H new ATOM 0 HB VAL A 20 4.877 10.975 24.816 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.293 10.363 23.034 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.698 11.729 24.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.383 12.020 22.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.718 10.029 22.704 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.908 11.673 22.048 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.889 11.150 23.438 1.00 0.00 H new ATOM 281 N PRO A 21 5.983 12.871 26.538 1.00 0.00 N ATOM 282 CA PRO A 21 7.002 12.900 27.591 1.00 0.00 C ATOM 283 C PRO A 21 7.981 11.737 27.482 1.00 0.00 C ATOM 284 O PRO A 21 7.796 10.831 26.669 1.00 0.00 O ATOM 285 CB PRO A 21 6.183 12.791 28.880 1.00 0.00 C ATOM 286 CG PRO A 21 4.927 12.100 28.473 1.00 0.00 C ATOM 287 CD PRO A 21 4.647 12.546 27.065 1.00 0.00 C ATOM 0 HA PRO A 21 7.619 13.797 27.536 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.718 12.224 29.642 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.975 13.774 29.301 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.043 11.017 28.524 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.104 12.364 29.137 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.166 11.760 26.483 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.984 13.411 27.042 1.00 0.00 H new ATOM 295 N ALA A 22 9.024 11.767 28.306 1.00 0.00 N ATOM 296 CA ALA A 22 10.031 10.714 28.304 1.00 0.00 C ATOM 297 C ALA A 22 9.414 9.364 28.653 1.00 0.00 C ATOM 298 O ALA A 22 9.192 8.526 27.778 1.00 0.00 O ATOM 299 CB ALA A 22 11.151 11.052 29.276 1.00 0.00 C ATOM 0 H ALA A 22 9.193 12.510 28.984 1.00 0.00 H new ATOM 0 HA ALA A 22 10.447 10.645 27.299 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.896 10.256 29.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.618 11.991 28.980 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.742 11.151 30.282 1.00 0.00 H new ATOM 305 N ASP A 23 9.139 9.158 29.937 1.00 0.00 N ATOM 306 CA ASP A 23 8.547 7.910 30.402 1.00 0.00 C ATOM 307 C ASP A 23 7.176 7.690 29.770 1.00 0.00 C ATOM 308 O ASP A 23 6.384 8.618 29.609 1.00 0.00 O ATOM 309 CB ASP A 23 8.425 7.915 31.927 1.00 0.00 C ATOM 310 CG ASP A 23 9.563 7.174 32.601 1.00 0.00 C ATOM 311 OD1 ASP A 23 9.958 6.105 32.091 1.00 0.00 O ATOM 312 OD2 ASP A 23 10.057 7.662 33.639 1.00 0.00 O ATOM 0 H ASP A 23 9.317 9.840 30.674 1.00 0.00 H new ATOM 0 HA ASP A 23 9.201 7.092 30.101 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.404 8.945 32.284 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.478 7.459 32.214 1.00 0.00 H new ATOM 317 N PRO A 24 6.888 6.432 29.403 1.00 0.00 N ATOM 318 CA PRO A 24 5.612 6.061 28.783 1.00 0.00 C ATOM 319 C PRO A 24 4.446 6.147 29.761 1.00 0.00 C ATOM 320 O PRO A 24 3.316 6.446 29.372 1.00 0.00 O ATOM 321 CB PRO A 24 5.839 4.612 28.347 1.00 0.00 C ATOM 322 CG PRO A 24 6.897 4.101 29.263 1.00 0.00 C ATOM 323 CD PRO A 24 7.785 5.276 29.566 1.00 0.00 C ATOM 0 HA PRO A 24 5.346 6.730 27.965 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.924 4.025 28.432 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.157 4.557 27.306 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.460 3.696 30.176 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.462 3.295 28.795 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.192 5.222 30.576 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.633 5.326 28.883 1.00 0.00 H new ATOM 331 N THR A 25 4.725 5.884 31.034 1.00 0.00 N ATOM 332 CA THR A 25 3.699 5.931 32.067 1.00 0.00 C ATOM 333 C THR A 25 3.058 7.312 32.143 1.00 0.00 C ATOM 334 O THR A 25 1.952 7.467 32.664 1.00 0.00 O ATOM 335 CB THR A 25 4.276 5.568 33.449 1.00 0.00 C ATOM 336 OG1 THR A 25 5.123 6.624 33.918 1.00 0.00 O ATOM 337 CG2 THR A 25 5.065 4.270 33.382 1.00 0.00 C ATOM 0 H THR A 25 5.654 5.636 31.374 1.00 0.00 H new ATOM 0 HA THR A 25 2.941 5.197 31.794 1.00 0.00 H new ATOM 0 HB THR A 25 3.445 5.434 34.142 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.485 6.387 34.797 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.462 4.034 34.369 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.411 3.463 33.052 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.888 4.381 32.676 1.00 0.00 H new ATOM 345 N LEU A 26 3.758 8.313 31.621 1.00 0.00 N ATOM 346 CA LEU A 26 3.256 9.683 31.629 1.00 0.00 C ATOM 347 C LEU A 26 2.368 9.945 30.417 1.00 0.00 C ATOM 348 O LEU A 26 1.932 11.073 30.187 1.00 0.00 O ATOM 349 CB LEU A 26 4.421 10.674 31.646 1.00 0.00 C ATOM 350 CG LEU A 26 5.513 10.409 32.683 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.542 11.528 32.673 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.905 10.254 34.069 1.00 0.00 C ATOM 0 H LEU A 26 4.674 8.202 31.187 1.00 0.00 H new ATOM 0 HA LEU A 26 2.658 9.819 32.530 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.881 10.681 30.658 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.020 11.673 31.818 1.00 0.00 H new ATOM 0 HG LEU A 26 6.017 9.478 32.422 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.311 11.322 33.417 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.000 11.592 31.686 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.054 12.474 32.908 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.696 10.066 34.795 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.375 11.168 34.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.207 9.417 34.069 1.00 0.00 H new ATOM 364 N TRP A 27 2.103 8.896 29.647 1.00 0.00 N ATOM 365 CA TRP A 27 1.265 9.012 28.459 1.00 0.00 C ATOM 366 C TRP A 27 -0.211 8.886 28.820 1.00 0.00 C ATOM 367 O TRP A 27 -0.634 7.891 29.412 1.00 0.00 O ATOM 368 CB TRP A 27 1.645 7.942 27.435 1.00 0.00 C ATOM 369 CG TRP A 27 3.010 8.141 26.847 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.817 9.231 27.001 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.724 7.225 26.010 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.991 9.049 26.310 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.959 7.826 25.694 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.442 5.956 25.497 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.906 7.199 24.890 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.384 5.336 24.699 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.604 5.957 24.401 1.00 0.00 C ATOM 0 H TRP A 27 2.456 7.956 29.824 1.00 0.00 H new ATOM 0 HA TRP A 27 1.431 9.997 28.023 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.601 6.962 27.911 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.908 7.940 26.632 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.569 10.108 27.581 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.761 9.716 26.263 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.504 5.469 25.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.847 7.676 24.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.176 4.355 24.298 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.319 5.446 23.774 1.00 0.00 H new ATOM 388 N THR A 28 -0.993 9.899 28.460 1.00 0.00 N ATOM 389 CA THR A 28 -2.422 9.901 28.747 1.00 0.00 C ATOM 390 C THR A 28 -3.172 8.957 27.814 1.00 0.00 C ATOM 391 O THR A 28 -2.565 8.275 26.989 1.00 0.00 O ATOM 392 CB THR A 28 -3.019 11.315 28.617 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.144 11.669 27.235 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.148 12.338 29.331 1.00 0.00 C ATOM 0 H THR A 28 -0.660 10.729 27.969 1.00 0.00 H new ATOM 0 HA THR A 28 -2.538 9.559 29.775 1.00 0.00 H new ATOM 0 HB THR A 28 -4.005 11.313 29.082 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.526 12.569 27.161 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.590 13.329 29.225 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.079 12.082 30.388 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.151 12.337 28.891 1.00 0.00 H new ATOM 402 N GLN A 29 -4.494 8.925 27.949 1.00 0.00 N ATOM 403 CA GLN A 29 -5.325 8.064 27.117 1.00 0.00 C ATOM 404 C GLN A 29 -5.210 8.453 25.646 1.00 0.00 C ATOM 405 O GLN A 29 -5.573 7.679 24.760 1.00 0.00 O ATOM 406 CB GLN A 29 -6.786 8.143 27.564 1.00 0.00 C ATOM 407 CG GLN A 29 -7.415 6.785 27.831 1.00 0.00 C ATOM 408 CD GLN A 29 -8.903 6.875 28.103 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.718 6.847 27.180 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.267 6.983 29.376 1.00 0.00 N ATOM 0 H GLN A 29 -5.012 9.485 28.626 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.972 7.039 27.232 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.848 8.747 28.469 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.365 8.658 26.797 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.245 6.135 26.973 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.921 6.321 28.685 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.558 7.002 30.109 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.255 7.047 29.620 1.00 0.00 H new ATOM 419 N GLU A 30 -4.703 9.656 25.395 1.00 0.00 N ATOM 420 CA GLU A 30 -4.542 10.146 24.031 1.00 0.00 C ATOM 421 C GLU A 30 -3.126 9.887 23.524 1.00 0.00 C ATOM 422 O GLU A 30 -2.930 9.473 22.381 1.00 0.00 O ATOM 423 CB GLU A 30 -4.854 11.643 23.964 1.00 0.00 C ATOM 424 CG GLU A 30 -4.962 12.178 22.546 1.00 0.00 C ATOM 425 CD GLU A 30 -6.399 12.317 22.082 1.00 0.00 C ATOM 426 OE1 GLU A 30 -6.994 13.392 22.311 1.00 0.00 O ATOM 427 OE2 GLU A 30 -6.928 11.353 21.492 1.00 0.00 O ATOM 0 H GLU A 30 -4.397 10.308 26.117 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.242 9.607 23.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.790 11.834 24.488 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.075 12.192 24.492 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.471 13.149 22.490 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.428 11.511 21.869 1.00 0.00 H new ATOM 434 N HIS A 31 -2.142 10.135 24.382 1.00 0.00 N ATOM 435 CA HIS A 31 -0.743 9.929 24.022 1.00 0.00 C ATOM 436 C HIS A 31 -0.518 8.510 23.508 1.00 0.00 C ATOM 437 O HIS A 31 0.061 8.311 22.440 1.00 0.00 O ATOM 438 CB HIS A 31 0.160 10.197 25.226 1.00 0.00 C ATOM 439 CG HIS A 31 0.552 11.635 25.372 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.856 12.213 26.587 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.691 12.614 24.447 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.163 13.485 26.403 1.00 0.00 C ATOM 443 NE2 HIS A 31 1.071 13.753 25.113 1.00 0.00 N ATOM 0 H HIS A 31 -2.287 10.479 25.331 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.491 10.629 23.226 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.352 9.875 26.133 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.061 9.591 25.136 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.532 12.517 23.383 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.442 14.186 27.176 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.253 14.659 24.681 1.00 0.00 H new ATOM 451 N VAL A 32 -0.978 7.528 24.276 1.00 0.00 N ATOM 452 CA VAL A 32 -0.827 6.128 23.898 1.00 0.00 C ATOM 453 C VAL A 32 -1.318 5.887 22.475 1.00 0.00 C ATOM 454 O VAL A 32 -0.810 5.013 21.772 1.00 0.00 O ATOM 455 CB VAL A 32 -1.597 5.201 24.858 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.517 3.758 24.386 1.00 0.00 C ATOM 457 CG2 VAL A 32 -1.059 5.338 26.275 1.00 0.00 C ATOM 0 H VAL A 32 -1.458 7.676 25.164 1.00 0.00 H new ATOM 0 HA VAL A 32 0.237 5.898 23.957 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.645 5.499 24.861 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.067 3.118 25.077 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.953 3.676 23.390 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.474 3.444 24.352 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.614 4.677 26.940 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.003 5.067 26.291 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.174 6.369 26.610 1.00 0.00 H new ATOM 467 N ARG A 33 -2.308 6.668 22.056 1.00 0.00 N ATOM 468 CA ARG A 33 -2.868 6.539 20.716 1.00 0.00 C ATOM 469 C ARG A 33 -1.962 7.202 19.682 1.00 0.00 C ATOM 470 O ARG A 33 -1.743 6.662 18.598 1.00 0.00 O ATOM 471 CB ARG A 33 -4.264 7.162 20.661 1.00 0.00 C ATOM 472 CG ARG A 33 -5.273 6.477 21.568 1.00 0.00 C ATOM 473 CD ARG A 33 -6.675 6.530 20.982 1.00 0.00 C ATOM 474 NE ARG A 33 -6.765 5.815 19.712 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.903 5.627 19.054 1.00 0.00 C ATOM 476 NH1 ARG A 33 -9.042 6.098 19.543 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.904 4.966 17.903 1.00 0.00 N ATOM 0 H ARG A 33 -2.739 7.397 22.625 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.942 5.477 20.481 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.194 8.214 20.938 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.628 7.126 19.634 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.980 5.438 21.720 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.268 6.956 22.547 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.381 6.099 21.692 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.967 7.570 20.834 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.907 5.439 19.308 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.046 6.607 20.427 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.914 5.952 19.035 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.030 4.602 17.523 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.779 4.822 17.398 1.00 0.00 H new ATOM 491 N GLN A 34 -1.441 8.376 20.025 1.00 0.00 N ATOM 492 CA GLN A 34 -0.561 9.113 19.126 1.00 0.00 C ATOM 493 C GLN A 34 0.748 8.361 18.908 1.00 0.00 C ATOM 494 O GLN A 34 1.138 8.091 17.773 1.00 0.00 O ATOM 495 CB GLN A 34 -0.275 10.506 19.688 1.00 0.00 C ATOM 496 CG GLN A 34 -1.226 11.576 19.174 1.00 0.00 C ATOM 497 CD GLN A 34 -0.967 12.934 19.796 1.00 0.00 C ATOM 498 OE1 GLN A 34 0.168 13.412 19.822 1.00 0.00 O ATOM 499 NE2 GLN A 34 -2.021 13.564 20.302 1.00 0.00 N ATOM 0 H GLN A 34 -1.613 8.837 20.919 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.066 9.213 18.165 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.336 10.470 20.776 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.747 10.788 19.435 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.130 11.652 18.091 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.253 11.275 19.382 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.943 13.131 20.259 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.908 14.481 20.734 1.00 0.00 H new ATOM 508 N TRP A 35 1.421 8.026 20.003 1.00 0.00 N ATOM 509 CA TRP A 35 2.687 7.305 19.931 1.00 0.00 C ATOM 510 C TRP A 35 2.545 6.039 19.095 1.00 0.00 C ATOM 511 O TRP A 35 3.491 5.612 18.431 1.00 0.00 O ATOM 512 CB TRP A 35 3.176 6.951 21.337 1.00 0.00 C ATOM 513 CG TRP A 35 4.339 6.006 21.340 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.647 6.315 21.097 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.299 4.598 21.597 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.422 5.184 21.187 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.619 4.118 21.494 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.277 3.697 21.907 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.940 2.777 21.689 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.597 2.367 22.099 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.920 1.917 21.990 1.00 0.00 C ATOM 0 H TRP A 35 1.112 8.242 20.951 1.00 0.00 H new ATOM 0 HA TRP A 35 3.420 7.954 19.452 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.459 7.866 21.857 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.354 6.507 21.899 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.018 7.303 20.868 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.432 5.145 21.048 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.255 4.034 21.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.959 2.428 21.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.814 1.662 22.337 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.138 0.871 22.147 1.00 0.00 H new ATOM 532 N LEU A 36 1.360 5.441 19.130 1.00 0.00 N ATOM 533 CA LEU A 36 1.094 4.222 18.374 1.00 0.00 C ATOM 534 C LEU A 36 1.170 4.485 16.873 1.00 0.00 C ATOM 535 O LEU A 36 2.015 3.923 16.178 1.00 0.00 O ATOM 536 CB LEU A 36 -0.282 3.662 18.737 1.00 0.00 C ATOM 537 CG LEU A 36 -0.388 2.139 18.818 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.441 1.608 19.978 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.841 1.712 18.960 1.00 0.00 C ATOM 0 H LEU A 36 0.567 5.780 19.674 1.00 0.00 H new ATOM 0 HA LEU A 36 1.857 3.489 18.635 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.579 4.078 19.700 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.002 4.017 18.000 1.00 0.00 H new ATOM 0 HG LEU A 36 0.005 1.717 17.893 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.354 0.522 20.021 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.486 1.883 19.834 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.078 2.038 20.911 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.897 0.625 19.016 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.260 2.144 19.869 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.409 2.060 18.097 1.00 0.00 H new ATOM 551 N GLU A 37 0.281 5.343 16.383 1.00 0.00 N ATOM 552 CA GLU A 37 0.249 5.681 14.964 1.00 0.00 C ATOM 553 C GLU A 37 1.626 6.126 14.480 1.00 0.00 C ATOM 554 O GLU A 37 1.970 5.953 13.310 1.00 0.00 O ATOM 555 CB GLU A 37 -0.777 6.785 14.704 1.00 0.00 C ATOM 556 CG GLU A 37 -2.167 6.460 15.223 1.00 0.00 C ATOM 557 CD GLU A 37 -3.241 6.641 14.169 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.024 6.208 13.018 1.00 0.00 O ATOM 559 OE2 GLU A 37 -4.301 7.217 14.495 1.00 0.00 O ATOM 0 H GLU A 37 -0.426 5.816 16.946 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.040 4.788 14.410 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.431 7.708 15.170 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.833 6.971 13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.185 5.431 15.582 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.390 7.099 16.077 1.00 0.00 H new ATOM 566 N TRP A 38 2.408 6.700 15.386 1.00 0.00 N ATOM 567 CA TRP A 38 3.748 7.171 15.052 1.00 0.00 C ATOM 568 C TRP A 38 4.682 5.999 14.769 1.00 0.00 C ATOM 569 O TRP A 38 5.238 5.887 13.678 1.00 0.00 O ATOM 570 CB TRP A 38 4.310 8.024 16.190 1.00 0.00 C ATOM 571 CG TRP A 38 5.774 8.312 16.049 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.377 9.022 15.051 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.818 7.895 16.935 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.734 9.072 15.263 1.00 0.00 N ATOM 575 CE2 TRP A 38 8.030 8.389 16.412 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.848 7.155 18.120 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.255 8.164 17.034 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.065 6.932 18.736 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.254 7.435 18.193 1.00 0.00 C ATOM 0 H TRP A 38 2.138 6.851 16.358 1.00 0.00 H new ATOM 0 HA TRP A 38 3.678 7.781 14.151 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.764 8.966 16.232 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.137 7.513 17.137 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.863 9.477 14.217 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.411 9.542 14.662 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.936 6.764 18.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.173 8.551 16.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.100 6.360 19.652 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.189 7.244 18.699 1.00 0.00 H new ATOM 590 N ALA A 39 4.849 5.129 15.760 1.00 0.00 N ATOM 591 CA ALA A 39 5.714 3.965 15.616 1.00 0.00 C ATOM 592 C ALA A 39 5.314 3.130 14.405 1.00 0.00 C ATOM 593 O ALA A 39 6.139 2.420 13.829 1.00 0.00 O ATOM 594 CB ALA A 39 5.675 3.119 16.880 1.00 0.00 C ATOM 0 H ALA A 39 4.397 5.209 16.671 1.00 0.00 H new ATOM 0 HA ALA A 39 6.733 4.318 15.460 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.326 2.253 16.758 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.017 3.714 17.727 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.654 2.783 17.062 1.00 0.00 H new ATOM 600 N ILE A 40 4.044 3.218 14.025 1.00 0.00 N ATOM 601 CA ILE A 40 3.535 2.470 12.882 1.00 0.00 C ATOM 602 C ILE A 40 4.025 3.072 11.569 1.00 0.00 C ATOM 603 O ILE A 40 4.596 2.377 10.729 1.00 0.00 O ATOM 604 CB ILE A 40 1.995 2.433 12.874 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.473 1.755 14.142 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.490 1.710 11.634 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.084 2.203 14.539 1.00 0.00 C ATOM 0 H ILE A 40 3.348 3.800 14.492 1.00 0.00 H new ATOM 0 HA ILE A 40 3.914 1.452 12.976 1.00 0.00 H new ATOM 0 HB ILE A 40 1.621 3.457 12.852 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.469 0.675 13.991 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.160 1.960 14.963 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.400 1.692 11.642 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.838 2.231 10.742 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.870 0.688 11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.221 1.681 15.446 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.087 3.278 14.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.616 1.974 13.735 1.00 0.00 H new ATOM 619 N LYS A 41 3.798 4.370 11.399 1.00 0.00 N ATOM 620 CA LYS A 41 4.219 5.069 10.190 1.00 0.00 C ATOM 621 C LYS A 41 5.716 5.360 10.223 1.00 0.00 C ATOM 622 O LYS A 41 6.277 5.878 9.258 1.00 0.00 O ATOM 623 CB LYS A 41 3.437 6.375 10.033 1.00 0.00 C ATOM 624 CG LYS A 41 3.604 7.328 11.204 1.00 0.00 C ATOM 625 CD LYS A 41 4.732 8.317 10.962 1.00 0.00 C ATOM 626 CE LYS A 41 4.234 9.568 10.254 1.00 0.00 C ATOM 627 NZ LYS A 41 4.302 10.767 11.134 1.00 0.00 N ATOM 0 H LYS A 41 3.325 4.960 12.083 1.00 0.00 H new ATOM 0 HA LYS A 41 4.012 4.424 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.760 6.875 9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.379 6.143 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.673 7.870 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.806 6.759 12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.186 8.593 11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.510 7.844 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.831 9.740 9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.205 9.415 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.954 11.599 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.712 10.613 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.287 10.928 11.426 1.00 0.00 H new ATOM 641 N GLU A 42 6.356 5.022 11.338 1.00 0.00 N ATOM 642 CA GLU A 42 7.788 5.248 11.494 1.00 0.00 C ATOM 643 C GLU A 42 8.574 3.973 11.203 1.00 0.00 C ATOM 644 O GLU A 42 9.467 3.961 10.355 1.00 0.00 O ATOM 645 CB GLU A 42 8.098 5.739 12.910 1.00 0.00 C ATOM 646 CG GLU A 42 9.584 5.876 13.195 1.00 0.00 C ATOM 647 CD GLU A 42 10.308 6.692 12.142 1.00 0.00 C ATOM 648 OE1 GLU A 42 9.874 7.833 11.875 1.00 0.00 O ATOM 649 OE2 GLU A 42 11.307 6.191 11.585 1.00 0.00 O ATOM 0 H GLU A 42 5.906 4.591 12.146 1.00 0.00 H new ATOM 0 HA GLU A 42 8.090 6.012 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.617 6.705 13.064 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.661 5.046 13.629 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.721 6.344 14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.032 4.884 13.252 1.00 0.00 H new ATOM 656 N TYR A 43 8.237 2.902 11.912 1.00 0.00 N ATOM 657 CA TYR A 43 8.913 1.622 11.733 1.00 0.00 C ATOM 658 C TYR A 43 8.180 0.758 10.712 1.00 0.00 C ATOM 659 O TYR A 43 8.423 -0.445 10.612 1.00 0.00 O ATOM 660 CB TYR A 43 9.010 0.882 13.068 1.00 0.00 C ATOM 661 CG TYR A 43 9.509 1.746 14.205 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.793 2.276 14.188 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.697 2.031 15.295 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.254 3.065 15.224 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.148 2.821 16.335 1.00 0.00 C ATOM 666 CZ TYR A 43 10.427 3.335 16.295 1.00 0.00 C ATOM 667 OH TYR A 43 10.881 4.121 17.330 1.00 0.00 O ATOM 0 H TYR A 43 7.499 2.894 12.617 1.00 0.00 H new ATOM 0 HA TYR A 43 9.918 1.819 11.361 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.028 0.487 13.327 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.677 0.027 12.953 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.442 2.068 13.350 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.696 1.628 15.330 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.256 3.468 15.196 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.503 3.035 17.174 1.00 0.00 H new ATOM 0 HH TYR A 43 10.870 3.604 18.162 1.00 0.00 H new ATOM 677 N SER A 44 7.282 1.380 9.955 1.00 0.00 N ATOM 678 CA SER A 44 6.511 0.668 8.942 1.00 0.00 C ATOM 679 C SER A 44 5.849 -0.571 9.536 1.00 0.00 C ATOM 680 O SER A 44 6.243 -1.701 9.243 1.00 0.00 O ATOM 681 CB SER A 44 7.412 0.268 7.772 1.00 0.00 C ATOM 682 OG SER A 44 7.551 1.334 6.848 1.00 0.00 O ATOM 0 H SER A 44 7.070 2.375 10.024 1.00 0.00 H new ATOM 0 HA SER A 44 5.731 1.336 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.393 -0.022 8.147 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.993 -0.603 7.267 1.00 0.00 H new ATOM 0 HG SER A 44 8.133 1.054 6.111 1.00 0.00 H new ATOM 688 N LEU A 45 4.840 -0.352 10.372 1.00 0.00 N ATOM 689 CA LEU A 45 4.121 -1.450 11.008 1.00 0.00 C ATOM 690 C LEU A 45 2.752 -1.650 10.366 1.00 0.00 C ATOM 691 O LEU A 45 2.105 -0.689 9.950 1.00 0.00 O ATOM 692 CB LEU A 45 3.960 -1.181 12.505 1.00 0.00 C ATOM 693 CG LEU A 45 5.226 -0.759 13.252 1.00 0.00 C ATOM 694 CD1 LEU A 45 4.905 -0.425 14.701 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.280 -1.854 13.175 1.00 0.00 C ATOM 0 H LEU A 45 4.501 0.576 10.625 1.00 0.00 H new ATOM 0 HA LEU A 45 4.703 -2.361 10.869 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.209 -0.402 12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.568 -2.083 12.976 1.00 0.00 H new ATOM 0 HG LEU A 45 5.625 0.136 12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.818 -0.127 15.217 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.185 0.393 14.735 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.481 -1.302 15.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.174 -1.537 13.712 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.890 -2.766 13.626 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.532 -2.044 12.132 1.00 0.00 H new ATOM 707 N MET A 46 2.318 -2.903 10.289 1.00 0.00 N ATOM 708 CA MET A 46 1.024 -3.228 9.700 1.00 0.00 C ATOM 709 C MET A 46 0.321 -4.321 10.500 1.00 0.00 C ATOM 710 O MET A 46 0.935 -4.980 11.338 1.00 0.00 O ATOM 711 CB MET A 46 1.198 -3.676 8.248 1.00 0.00 C ATOM 712 CG MET A 46 2.051 -2.729 7.418 1.00 0.00 C ATOM 713 SD MET A 46 1.772 -2.915 5.647 1.00 0.00 S ATOM 714 CE MET A 46 2.687 -1.512 5.011 1.00 0.00 C ATOM 0 H MET A 46 2.843 -3.710 10.627 1.00 0.00 H new ATOM 0 HA MET A 46 0.407 -2.330 9.724 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.651 -4.667 8.234 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.216 -3.768 7.784 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.835 -1.701 7.710 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.104 -2.908 7.637 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.610 -1.490 3.924 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.274 -0.591 5.423 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.735 -1.600 5.299 1.00 0.00 H new ATOM 724 N GLU A 47 -0.969 -4.505 10.236 1.00 0.00 N ATOM 725 CA GLU A 47 -1.754 -5.517 10.933 1.00 0.00 C ATOM 726 C GLU A 47 -1.838 -5.208 12.425 1.00 0.00 C ATOM 727 O GLU A 47 -1.989 -6.111 13.249 1.00 0.00 O ATOM 728 CB GLU A 47 -1.142 -6.904 10.722 1.00 0.00 C ATOM 729 CG GLU A 47 -0.771 -7.192 9.277 1.00 0.00 C ATOM 730 CD GLU A 47 -1.331 -8.512 8.783 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.468 -8.519 8.268 1.00 0.00 O ATOM 732 OE2 GLU A 47 -0.630 -9.538 8.912 1.00 0.00 O ATOM 0 H GLU A 47 -1.492 -3.967 9.545 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.763 -5.506 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.251 -6.997 11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.849 -7.660 11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.140 -6.385 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.315 -7.203 9.180 1.00 0.00 H new ATOM 739 N ILE A 48 -1.738 -3.927 12.764 1.00 0.00 N ATOM 740 CA ILE A 48 -1.804 -3.499 14.156 1.00 0.00 C ATOM 741 C ILE A 48 -3.195 -2.982 14.507 1.00 0.00 C ATOM 742 O ILE A 48 -3.805 -2.239 13.739 1.00 0.00 O ATOM 743 CB ILE A 48 -0.769 -2.398 14.455 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.679 -2.148 15.962 1.00 0.00 C ATOM 745 CG2 ILE A 48 -1.132 -1.116 13.720 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.714 -1.798 16.435 1.00 0.00 C ATOM 0 H ILE A 48 -1.611 -3.168 12.094 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.580 -4.374 14.766 1.00 0.00 H new ATOM 0 HB ILE A 48 0.207 -2.732 14.102 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.358 -1.339 16.229 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.020 -3.038 16.491 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.391 -0.348 13.941 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.150 -1.305 12.647 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.115 -0.776 14.045 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.702 -1.634 17.513 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.394 -2.616 16.200 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.051 -0.891 15.934 1.00 0.00 H new ATOM 758 N ASP A 49 -3.690 -3.380 15.674 1.00 0.00 N ATOM 759 CA ASP A 49 -5.008 -2.956 16.130 1.00 0.00 C ATOM 760 C ASP A 49 -4.902 -1.735 17.039 1.00 0.00 C ATOM 761 O ASP A 49 -4.680 -1.862 18.244 1.00 0.00 O ATOM 762 CB ASP A 49 -5.709 -4.098 16.868 1.00 0.00 C ATOM 763 CG ASP A 49 -7.184 -3.826 17.087 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.947 -3.858 16.099 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.576 -3.584 18.248 1.00 0.00 O ATOM 0 H ASP A 49 -3.198 -3.996 16.321 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.598 -2.685 15.254 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.593 -5.020 16.298 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.225 -4.256 17.832 1.00 0.00 H new ATOM 770 N THR A 50 -5.061 -0.552 16.454 1.00 0.00 N ATOM 771 CA THR A 50 -4.980 0.691 17.210 1.00 0.00 C ATOM 772 C THR A 50 -6.137 0.811 18.195 1.00 0.00 C ATOM 773 O THR A 50 -6.037 1.512 19.203 1.00 0.00 O ATOM 774 CB THR A 50 -4.986 1.917 16.278 1.00 0.00 C ATOM 775 OG1 THR A 50 -6.242 2.009 15.596 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.857 1.830 15.261 1.00 0.00 C ATOM 0 H THR A 50 -5.247 -0.429 15.459 1.00 0.00 H new ATOM 0 HA THR A 50 -4.039 0.666 17.759 1.00 0.00 H new ATOM 0 HB THR A 50 -4.838 2.809 16.887 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.238 2.792 15.007 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.882 2.707 14.614 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.900 1.790 15.782 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.979 0.930 14.658 1.00 0.00 H new ATOM 784 N SER A 51 -7.235 0.123 17.899 1.00 0.00 N ATOM 785 CA SER A 51 -8.413 0.155 18.758 1.00 0.00 C ATOM 786 C SER A 51 -8.098 -0.425 20.134 1.00 0.00 C ATOM 787 O SER A 51 -8.634 0.024 21.147 1.00 0.00 O ATOM 788 CB SER A 51 -9.561 -0.625 18.114 1.00 0.00 C ATOM 789 OG SER A 51 -10.285 -1.361 19.085 1.00 0.00 O ATOM 0 H SER A 51 -7.333 -0.464 17.070 1.00 0.00 H new ATOM 0 HA SER A 51 -8.714 1.195 18.882 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.231 0.065 17.602 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.165 -1.304 17.359 1.00 0.00 H new ATOM 0 HG SER A 51 -11.014 -1.849 18.649 1.00 0.00 H new ATOM 795 N PHE A 52 -7.224 -1.426 20.161 1.00 0.00 N ATOM 796 CA PHE A 52 -6.838 -2.070 21.411 1.00 0.00 C ATOM 797 C PHE A 52 -6.264 -1.052 22.392 1.00 0.00 C ATOM 798 O PHE A 52 -6.283 -1.262 23.605 1.00 0.00 O ATOM 799 CB PHE A 52 -5.811 -3.173 21.145 1.00 0.00 C ATOM 800 CG PHE A 52 -5.922 -4.335 22.090 1.00 0.00 C ATOM 801 CD1 PHE A 52 -6.810 -5.369 21.837 1.00 0.00 C ATOM 802 CD2 PHE A 52 -5.139 -4.395 23.231 1.00 0.00 C ATOM 803 CE1 PHE A 52 -6.915 -6.440 22.705 1.00 0.00 C ATOM 804 CE2 PHE A 52 -5.239 -5.463 24.102 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.129 -6.487 23.839 1.00 0.00 C ATOM 0 H PHE A 52 -6.770 -1.809 19.332 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.730 -2.513 21.854 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.932 -3.533 20.123 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.809 -2.751 21.217 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.427 -5.338 20.951 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.442 -3.598 23.442 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.611 -7.239 22.496 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.622 -5.497 24.988 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.209 -7.322 24.519 1.00 0.00 H new ATOM 815 N PHE A 53 -5.753 0.053 21.858 1.00 0.00 N ATOM 816 CA PHE A 53 -5.172 1.104 22.685 1.00 0.00 C ATOM 817 C PHE A 53 -5.974 2.397 22.564 1.00 0.00 C ATOM 818 O PHE A 53 -5.458 3.484 22.822 1.00 0.00 O ATOM 819 CB PHE A 53 -3.717 1.353 22.282 1.00 0.00 C ATOM 820 CG PHE A 53 -2.920 0.092 22.105 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.932 -0.586 20.897 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.159 -0.414 23.146 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.200 -1.746 20.730 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.424 -1.573 22.984 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.445 -2.241 21.775 1.00 0.00 C ATOM 0 H PHE A 53 -5.730 0.243 20.856 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.203 0.774 23.723 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.698 1.919 21.351 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.239 1.972 23.041 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.520 -0.203 20.076 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.140 0.103 24.094 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.218 -2.265 19.783 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.833 -1.957 23.803 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.873 -3.148 21.647 1.00 0.00 H new ATOM 835 N GLN A 54 -7.236 2.268 22.169 1.00 0.00 N ATOM 836 CA GLN A 54 -8.109 3.426 22.013 1.00 0.00 C ATOM 837 C GLN A 54 -8.359 4.104 23.356 1.00 0.00 C ATOM 838 O GLN A 54 -8.655 5.297 23.414 1.00 0.00 O ATOM 839 CB GLN A 54 -9.438 3.008 21.383 1.00 0.00 C ATOM 840 CG GLN A 54 -10.344 2.237 22.330 1.00 0.00 C ATOM 841 CD GLN A 54 -11.689 1.909 21.713 1.00 0.00 C ATOM 842 OE1 GLN A 54 -12.065 2.466 20.681 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.424 1.000 22.343 1.00 0.00 N ATOM 0 H GLN A 54 -7.677 1.374 21.951 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.612 4.138 21.355 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.962 3.899 21.036 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.237 2.394 20.505 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.850 1.312 22.627 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.497 2.822 23.237 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.074 0.563 23.196 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.338 0.739 21.974 1.00 0.00 H new ATOM 852 N ASN A 55 -8.239 3.335 24.433 1.00 0.00 N ATOM 853 CA ASN A 55 -8.454 3.862 25.776 1.00 0.00 C ATOM 854 C ASN A 55 -7.474 3.241 26.767 1.00 0.00 C ATOM 855 O ASN A 55 -7.779 3.101 27.951 1.00 0.00 O ATOM 856 CB ASN A 55 -9.891 3.596 26.227 1.00 0.00 C ATOM 857 CG ASN A 55 -10.121 2.144 26.599 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.177 1.271 25.732 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.256 1.879 27.893 1.00 0.00 N ATOM 0 H ASN A 55 -7.994 2.345 24.402 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.283 4.938 25.749 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.123 4.229 27.084 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.577 3.877 25.428 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.413 0.920 28.204 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.202 2.634 28.577 1.00 0.00 H new ATOM 866 N MET A 56 -6.297 2.870 26.274 1.00 0.00 N ATOM 867 CA MET A 56 -5.272 2.265 27.117 1.00 0.00 C ATOM 868 C MET A 56 -4.293 3.320 27.623 1.00 0.00 C ATOM 869 O MET A 56 -3.382 3.731 26.904 1.00 0.00 O ATOM 870 CB MET A 56 -4.518 1.182 26.342 1.00 0.00 C ATOM 871 CG MET A 56 -3.447 0.483 27.163 1.00 0.00 C ATOM 872 SD MET A 56 -3.732 -1.291 27.311 1.00 0.00 S ATOM 873 CE MET A 56 -3.708 -1.782 25.588 1.00 0.00 C ATOM 0 H MET A 56 -6.029 2.978 25.296 1.00 0.00 H new ATOM 0 HA MET A 56 -5.765 1.810 27.976 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.231 0.440 25.983 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.055 1.631 25.463 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.473 0.653 26.703 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.411 0.926 28.158 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.284 -2.699 25.463 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.147 -0.992 24.978 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.679 -1.954 25.273 1.00 0.00 H new ATOM 883 N ASP A 57 -4.487 3.753 28.864 1.00 0.00 N ATOM 884 CA ASP A 57 -3.620 4.759 29.467 1.00 0.00 C ATOM 885 C ASP A 57 -2.174 4.275 29.510 1.00 0.00 C ATOM 886 O ASP A 57 -1.912 3.077 29.609 1.00 0.00 O ATOM 887 CB ASP A 57 -4.100 5.096 30.879 1.00 0.00 C ATOM 888 CG ASP A 57 -4.478 3.861 31.673 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.585 3.275 32.320 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.667 3.481 31.648 1.00 0.00 O ATOM 0 H ASP A 57 -5.237 3.423 29.472 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.665 5.658 28.852 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.315 5.637 31.407 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.961 5.762 30.818 1.00 0.00 H new ATOM 895 N GLY A 58 -1.238 5.216 29.433 1.00 0.00 N ATOM 896 CA GLY A 58 0.170 4.866 29.463 1.00 0.00 C ATOM 897 C GLY A 58 0.492 3.849 30.540 1.00 0.00 C ATOM 898 O GLY A 58 1.361 2.996 30.360 1.00 0.00 O ATOM 0 H GLY A 58 -1.430 6.214 29.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.463 4.467 28.492 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.762 5.766 29.629 1.00 0.00 H new ATOM 902 N LYS A 59 -0.210 3.939 31.665 1.00 0.00 N ATOM 903 CA LYS A 59 0.005 3.020 32.777 1.00 0.00 C ATOM 904 C LYS A 59 -0.403 1.601 32.396 1.00 0.00 C ATOM 905 O LYS A 59 0.336 0.647 32.640 1.00 0.00 O ATOM 906 CB LYS A 59 -0.788 3.478 34.004 1.00 0.00 C ATOM 907 CG LYS A 59 -0.564 4.937 34.363 1.00 0.00 C ATOM 908 CD LYS A 59 0.885 5.204 34.734 1.00 0.00 C ATOM 909 CE LYS A 59 1.220 4.647 36.109 1.00 0.00 C ATOM 910 NZ LYS A 59 0.591 5.444 37.198 1.00 0.00 N ATOM 0 H LYS A 59 -0.933 4.639 31.831 1.00 0.00 H new ATOM 0 HA LYS A 59 1.068 3.022 33.017 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.850 3.317 33.821 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.514 2.856 34.856 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.847 5.568 33.520 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.210 5.211 35.197 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.541 4.755 33.989 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.074 6.277 34.719 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.882 3.613 36.174 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.302 4.638 36.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.000 5.165 38.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.768 6.456 37.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.434 5.269 37.209 1.00 0.00 H new ATOM 924 N GLU A 60 -1.582 1.469 31.796 1.00 0.00 N ATOM 925 CA GLU A 60 -2.086 0.165 31.382 1.00 0.00 C ATOM 926 C GLU A 60 -1.350 -0.333 30.141 1.00 0.00 C ATOM 927 O GLU A 60 -1.467 -1.499 29.762 1.00 0.00 O ATOM 928 CB GLU A 60 -3.588 0.239 31.102 1.00 0.00 C ATOM 929 CG GLU A 60 -4.434 0.394 32.355 1.00 0.00 C ATOM 930 CD GLU A 60 -4.816 -0.939 32.969 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.091 -1.887 32.205 1.00 0.00 O ATOM 932 OE2 GLU A 60 -4.840 -1.033 34.214 1.00 0.00 O ATOM 0 H GLU A 60 -2.205 2.249 31.586 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.910 -0.539 32.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.784 1.079 30.435 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.896 -0.664 30.575 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.885 0.984 33.089 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.339 0.950 32.111 1.00 0.00 H new ATOM 939 N LEU A 61 -0.593 0.559 29.511 1.00 0.00 N ATOM 940 CA LEU A 61 0.162 0.212 28.312 1.00 0.00 C ATOM 941 C LEU A 61 1.560 -0.279 28.672 1.00 0.00 C ATOM 942 O LEU A 61 1.992 -1.340 28.220 1.00 0.00 O ATOM 943 CB LEU A 61 0.257 1.420 27.379 1.00 0.00 C ATOM 944 CG LEU A 61 1.248 1.296 26.220 1.00 0.00 C ATOM 945 CD1 LEU A 61 2.658 1.620 26.686 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.191 -0.100 25.617 1.00 0.00 C ATOM 0 H LEU A 61 -0.486 1.528 29.811 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.365 -0.594 27.801 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.733 1.613 26.965 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.530 2.292 27.973 1.00 0.00 H new ATOM 0 HG LEU A 61 0.968 2.015 25.450 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.349 1.526 25.848 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.689 2.640 27.070 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.949 0.926 27.475 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.902 -0.170 24.794 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.445 -0.836 26.380 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.185 -0.295 25.245 1.00 0.00 H new ATOM 958 N CYS A 62 2.262 0.498 29.490 1.00 0.00 N ATOM 959 CA CYS A 62 3.612 0.142 29.912 1.00 0.00 C ATOM 960 C CYS A 62 3.606 -1.155 30.715 1.00 0.00 C ATOM 961 O CYS A 62 4.636 -1.813 30.860 1.00 0.00 O ATOM 962 CB CYS A 62 4.222 1.270 30.746 1.00 0.00 C ATOM 963 SG CYS A 62 3.564 1.385 32.426 1.00 0.00 S ATOM 0 H CYS A 62 1.919 1.378 29.874 1.00 0.00 H new ATOM 0 HA CYS A 62 4.218 -0.008 29.019 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.301 1.125 30.799 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.052 2.218 30.235 1.00 0.00 H new ATOM 0 HG CYS A 62 2.295 1.104 32.415 1.00 0.00 H new ATOM 969 N LYS A 63 2.439 -1.516 31.237 1.00 0.00 N ATOM 970 CA LYS A 63 2.297 -2.733 32.027 1.00 0.00 C ATOM 971 C LYS A 63 2.020 -3.935 31.129 1.00 0.00 C ATOM 972 O LYS A 63 2.314 -5.073 31.492 1.00 0.00 O ATOM 973 CB LYS A 63 1.168 -2.575 33.048 1.00 0.00 C ATOM 974 CG LYS A 63 -0.218 -2.763 32.456 1.00 0.00 C ATOM 975 CD LYS A 63 -1.298 -2.657 33.519 1.00 0.00 C ATOM 976 CE LYS A 63 -1.335 -3.896 34.401 1.00 0.00 C ATOM 977 NZ LYS A 63 -2.718 -4.212 34.855 1.00 0.00 N ATOM 0 H LYS A 63 1.577 -0.982 31.127 1.00 0.00 H new ATOM 0 HA LYS A 63 3.235 -2.904 32.556 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.312 -3.298 33.851 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.231 -1.583 33.496 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.390 -2.012 31.685 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.278 -3.737 31.971 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.119 -1.776 34.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.268 -2.520 33.041 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.930 -4.746 33.851 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.694 -3.743 35.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.701 -5.062 35.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.095 -3.412 35.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.324 -4.383 34.028 1.00 0.00 H new ATOM 991 N MET A 64 1.455 -3.672 29.955 1.00 0.00 N ATOM 992 CA MET A 64 1.142 -4.733 29.004 1.00 0.00 C ATOM 993 C MET A 64 2.365 -5.606 28.741 1.00 0.00 C ATOM 994 O MET A 64 3.499 -5.134 28.795 1.00 0.00 O ATOM 995 CB MET A 64 0.635 -4.136 27.690 1.00 0.00 C ATOM 996 CG MET A 64 -0.760 -3.540 27.791 1.00 0.00 C ATOM 997 SD MET A 64 -1.973 -4.440 26.807 1.00 0.00 S ATOM 998 CE MET A 64 -1.221 -4.356 25.184 1.00 0.00 C ATOM 0 H MET A 64 1.205 -2.735 29.640 1.00 0.00 H new ATOM 0 HA MET A 64 0.360 -5.356 29.438 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.329 -3.362 27.360 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.635 -4.912 26.924 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.075 -3.537 28.835 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.731 -2.501 27.464 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.990 -4.164 24.436 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.487 -3.551 25.164 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.727 -5.302 24.962 1.00 0.00 H new ATOM 1008 N ASN A 65 2.125 -6.882 28.457 1.00 0.00 N ATOM 1009 CA ASN A 65 3.207 -7.822 28.187 1.00 0.00 C ATOM 1010 C ASN A 65 3.192 -8.264 26.727 1.00 0.00 C ATOM 1011 O ASN A 65 2.306 -7.885 25.961 1.00 0.00 O ATOM 1012 CB ASN A 65 3.092 -9.042 29.102 1.00 0.00 C ATOM 1013 CG ASN A 65 2.502 -8.696 30.456 1.00 0.00 C ATOM 1014 OD1 ASN A 65 2.789 -7.639 31.018 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.674 -9.588 30.986 1.00 0.00 N ATOM 0 H ASN A 65 1.191 -7.289 28.408 1.00 0.00 H new ATOM 0 HA ASN A 65 4.152 -7.316 28.385 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.471 -9.797 28.620 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.079 -9.483 29.241 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.247 -9.410 31.895 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.465 -10.451 30.484 1.00 0.00 H new ATOM 1022 N LYS A 66 4.179 -9.068 26.348 1.00 0.00 N ATOM 1023 CA LYS A 66 4.280 -9.565 24.980 1.00 0.00 C ATOM 1024 C LYS A 66 2.967 -10.202 24.535 1.00 0.00 C ATOM 1025 O LYS A 66 2.472 -9.925 23.443 1.00 0.00 O ATOM 1026 CB LYS A 66 5.417 -10.583 24.868 1.00 0.00 C ATOM 1027 CG LYS A 66 5.762 -10.953 23.436 1.00 0.00 C ATOM 1028 CD LYS A 66 7.051 -10.288 22.983 1.00 0.00 C ATOM 1029 CE LYS A 66 7.438 -10.722 21.577 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.906 -10.935 21.447 1.00 0.00 N ATOM 0 H LYS A 66 4.921 -9.390 26.969 1.00 0.00 H new ATOM 0 HA LYS A 66 4.493 -8.719 24.327 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.305 -10.179 25.354 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.140 -11.486 25.411 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.861 -12.035 23.353 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.947 -10.656 22.776 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.932 -9.205 23.011 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.854 -10.538 23.676 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.913 -11.643 21.324 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.116 -9.965 20.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.129 -11.230 20.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.406 -10.049 21.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.210 -11.675 22.111 1.00 0.00 H new ATOM 1044 N GLU A 67 2.410 -11.056 25.388 1.00 0.00 N ATOM 1045 CA GLU A 67 1.154 -11.731 25.081 1.00 0.00 C ATOM 1046 C GLU A 67 0.058 -10.721 24.758 1.00 0.00 C ATOM 1047 O GLU A 67 -0.522 -10.744 23.672 1.00 0.00 O ATOM 1048 CB GLU A 67 0.722 -12.611 26.257 1.00 0.00 C ATOM 1049 CG GLU A 67 0.787 -14.099 25.959 1.00 0.00 C ATOM 1050 CD GLU A 67 -0.570 -14.688 25.627 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -1.555 -14.326 26.304 1.00 0.00 O ATOM 1052 OE2 GLU A 67 -0.647 -15.510 24.690 1.00 0.00 O ATOM 0 H GLU A 67 2.808 -11.297 26.296 1.00 0.00 H new ATOM 0 HA GLU A 67 1.314 -12.360 24.205 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.357 -12.393 27.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.298 -12.350 26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.467 -14.269 25.124 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.204 -14.620 26.821 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.221 -9.835 25.708 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.247 -8.815 25.525 1.00 0.00 C ATOM 1061 C ASP A 68 -0.995 -8.012 24.253 1.00 0.00 C ATOM 1062 O ASP A 68 -1.925 -7.693 23.513 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.288 -7.880 26.734 1.00 0.00 C ATOM 1064 CG ASP A 68 -1.253 -8.632 28.050 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -2.332 -9.039 28.529 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.147 -8.814 28.601 1.00 0.00 O ATOM 0 H ASP A 68 0.249 -9.803 26.613 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.210 -9.317 25.431 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.442 -7.195 26.688 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.192 -7.273 26.690 1.00 0.00 H new ATOM 1071 N PHE A 69 0.270 -7.687 24.006 1.00 0.00 N ATOM 1072 CA PHE A 69 0.645 -6.919 22.825 1.00 0.00 C ATOM 1073 C PHE A 69 0.374 -7.713 21.551 1.00 0.00 C ATOM 1074 O PHE A 69 -0.053 -7.156 20.538 1.00 0.00 O ATOM 1075 CB PHE A 69 2.124 -6.530 22.892 1.00 0.00 C ATOM 1076 CG PHE A 69 2.349 -5.090 23.255 1.00 0.00 C ATOM 1077 CD1 PHE A 69 2.064 -4.081 22.349 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.847 -4.746 24.501 1.00 0.00 C ATOM 1079 CE1 PHE A 69 2.271 -2.755 22.681 1.00 0.00 C ATOM 1080 CE2 PHE A 69 3.056 -3.422 24.838 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.767 -2.425 23.927 1.00 0.00 C ATOM 0 H PHE A 69 1.052 -7.944 24.608 1.00 0.00 H new ATOM 0 HA PHE A 69 0.039 -6.014 22.804 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.625 -7.163 23.624 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.588 -6.730 21.926 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.676 -4.333 21.373 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.075 -5.521 25.217 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.045 -1.978 21.966 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.445 -3.167 25.813 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.929 -1.390 24.188 1.00 0.00 H new ATOM 1091 N LEU A 70 0.624 -9.016 21.608 1.00 0.00 N ATOM 1092 CA LEU A 70 0.407 -9.888 20.460 1.00 0.00 C ATOM 1093 C LEU A 70 -1.081 -10.042 20.166 1.00 0.00 C ATOM 1094 O LEU A 70 -1.469 -10.451 19.071 1.00 0.00 O ATOM 1095 CB LEU A 70 1.033 -11.261 20.711 1.00 0.00 C ATOM 1096 CG LEU A 70 2.460 -11.453 20.195 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.996 -12.817 20.602 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.506 -11.290 18.683 1.00 0.00 C ATOM 0 H LEU A 70 0.977 -9.492 22.438 1.00 0.00 H new ATOM 0 HA LEU A 70 0.884 -9.431 19.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.028 -11.450 21.785 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.397 -12.018 20.251 1.00 0.00 H new ATOM 0 HG LEU A 70 3.094 -10.688 20.643 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.012 -12.936 20.226 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.000 -12.897 21.689 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.361 -13.597 20.183 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.529 -11.430 18.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.858 -12.033 18.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.164 -10.291 18.414 1.00 0.00 H new ATOM 1110 N ARG A 71 -1.911 -9.709 21.149 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.357 -9.810 20.996 1.00 0.00 C ATOM 1112 C ARG A 71 -3.919 -8.566 20.312 1.00 0.00 C ATOM 1113 O ARG A 71 -5.130 -8.433 20.142 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.024 -10.000 22.359 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.704 -11.335 23.012 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.781 -11.742 24.006 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.860 -13.191 24.165 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.720 -13.796 24.976 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.571 -13.080 25.699 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.732 -15.120 25.066 1.00 0.00 N ATOM 0 H ARG A 71 -1.606 -9.367 22.060 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.571 -10.677 20.371 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.709 -9.195 23.023 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.104 -9.912 22.241 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.607 -12.103 22.244 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.743 -11.271 23.522 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.575 -11.282 24.972 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.746 -11.361 23.671 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.219 -13.771 23.623 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.566 -12.062 25.633 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.231 -13.547 26.321 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.080 -15.675 24.512 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.393 -15.583 25.690 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.030 -7.658 19.924 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.436 -6.426 19.259 1.00 0.00 C ATOM 1136 C ALA A 72 -2.559 -6.144 18.044 1.00 0.00 C ATOM 1137 O ALA A 72 -3.044 -5.694 17.005 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.385 -5.258 20.232 1.00 0.00 C ATOM 0 H ALA A 72 -2.023 -7.752 20.059 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.462 -6.551 18.913 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.691 -4.345 19.721 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.059 -5.450 21.067 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.368 -5.141 20.607 1.00 0.00 H new ATOM 1144 N THR A 73 -1.263 -6.410 18.180 1.00 0.00 N ATOM 1145 CA THR A 73 -0.318 -6.182 17.095 1.00 0.00 C ATOM 1146 C THR A 73 0.462 -7.451 16.769 1.00 0.00 C ATOM 1147 O THR A 73 0.600 -8.341 17.610 1.00 0.00 O ATOM 1148 CB THR A 73 0.676 -5.058 17.442 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.355 -4.621 16.259 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.693 -5.532 18.470 1.00 0.00 C ATOM 0 H THR A 73 -0.845 -6.784 19.032 1.00 0.00 H new ATOM 0 HA THR A 73 -0.903 -5.884 16.225 1.00 0.00 H new ATOM 0 HB THR A 73 0.114 -4.226 17.867 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.697 -4.405 15.565 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.384 -4.721 18.699 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.176 -5.836 19.380 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.249 -6.379 18.068 1.00 0.00 H new ATOM 1158 N THR A 74 0.971 -7.529 15.544 1.00 0.00 N ATOM 1159 CA THR A 74 1.737 -8.690 15.107 1.00 0.00 C ATOM 1160 C THR A 74 3.006 -8.855 15.935 1.00 0.00 C ATOM 1161 O THR A 74 3.415 -7.941 16.652 1.00 0.00 O ATOM 1162 CB THR A 74 2.118 -8.584 13.619 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.841 -9.751 13.213 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.963 -7.344 13.364 1.00 0.00 C ATOM 0 H THR A 74 0.867 -6.802 14.836 1.00 0.00 H new ATOM 0 HA THR A 74 1.098 -9.562 15.249 1.00 0.00 H new ATOM 0 HB THR A 74 1.200 -8.506 13.037 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.078 -9.676 12.265 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.220 -7.290 12.306 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.399 -6.455 13.646 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.876 -7.398 13.957 1.00 0.00 H new ATOM 1172 N LEU A 75 3.627 -10.024 15.830 1.00 0.00 N ATOM 1173 CA LEU A 75 4.853 -10.308 16.570 1.00 0.00 C ATOM 1174 C LEU A 75 5.942 -9.297 16.228 1.00 0.00 C ATOM 1175 O LEU A 75 6.520 -8.668 17.115 1.00 0.00 O ATOM 1176 CB LEU A 75 5.341 -11.725 16.261 1.00 0.00 C ATOM 1177 CG LEU A 75 6.785 -12.038 16.655 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.958 -11.944 18.163 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.187 -13.418 16.155 1.00 0.00 C ATOM 0 H LEU A 75 3.303 -10.791 15.240 1.00 0.00 H new ATOM 0 HA LEU A 75 4.632 -10.230 17.635 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.685 -12.432 16.769 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.231 -11.900 15.191 1.00 0.00 H new ATOM 0 HG LEU A 75 7.438 -11.300 16.188 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.992 -12.170 18.425 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.711 -10.936 18.495 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.295 -12.659 18.651 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.218 -13.624 16.444 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.530 -14.169 16.593 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.102 -13.451 15.069 1.00 0.00 H new ATOM 1191 N TYR A 76 6.216 -9.144 14.937 1.00 0.00 N ATOM 1192 CA TYR A 76 7.236 -8.208 14.478 1.00 0.00 C ATOM 1193 C TYR A 76 7.052 -6.840 15.128 1.00 0.00 C ATOM 1194 O TYR A 76 7.996 -6.268 15.672 1.00 0.00 O ATOM 1195 CB TYR A 76 7.185 -8.073 12.955 1.00 0.00 C ATOM 1196 CG TYR A 76 8.298 -7.223 12.385 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.264 -5.838 12.488 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.385 -7.806 11.744 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.278 -5.058 11.968 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.405 -7.033 11.223 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.346 -5.660 11.337 1.00 0.00 C ATOM 1202 OH TYR A 76 11.360 -4.886 10.819 1.00 0.00 O ATOM 0 H TYR A 76 5.746 -9.656 14.190 1.00 0.00 H new ATOM 0 HA TYR A 76 8.211 -8.600 14.769 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.233 -9.066 12.509 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.226 -7.641 12.669 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.430 -5.363 12.983 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.433 -8.881 11.652 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.235 -3.982 12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.244 -7.501 10.729 1.00 0.00 H new ATOM 0 HH TYR A 76 12.036 -5.465 10.409 1.00 0.00 H new ATOM 1212 N ASN A 77 5.830 -6.322 15.066 1.00 0.00 N ATOM 1213 CA ASN A 77 5.521 -5.021 15.649 1.00 0.00 C ATOM 1214 C ASN A 77 5.697 -5.048 17.164 1.00 0.00 C ATOM 1215 O ASN A 77 6.157 -4.076 17.764 1.00 0.00 O ATOM 1216 CB ASN A 77 4.090 -4.609 15.297 1.00 0.00 C ATOM 1217 CG ASN A 77 3.894 -4.419 13.805 1.00 0.00 C ATOM 1218 OD1 ASN A 77 4.858 -4.377 13.041 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.639 -4.303 13.384 1.00 0.00 N ATOM 0 H ASN A 77 5.038 -6.783 14.618 1.00 0.00 H new ATOM 0 HA ASN A 77 6.215 -4.290 15.234 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.397 -5.369 15.658 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.844 -3.682 15.814 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.444 -4.173 12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.871 -4.344 14.054 1.00 0.00 H new ATOM 1226 N THR A 78 5.327 -6.168 17.777 1.00 0.00 N ATOM 1227 CA THR A 78 5.443 -6.322 19.222 1.00 0.00 C ATOM 1228 C THR A 78 6.877 -6.093 19.686 1.00 0.00 C ATOM 1229 O THR A 78 7.113 -5.418 20.688 1.00 0.00 O ATOM 1230 CB THR A 78 4.986 -7.721 19.676 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.644 -7.964 19.240 1.00 0.00 O ATOM 1232 CG2 THR A 78 5.064 -7.851 21.190 1.00 0.00 C ATOM 0 H THR A 78 4.945 -6.982 17.295 1.00 0.00 H new ATOM 0 HA THR A 78 4.794 -5.571 19.673 1.00 0.00 H new ATOM 0 HB THR A 78 5.652 -8.459 19.229 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.635 -8.102 18.270 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.736 -8.847 21.487 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.092 -7.695 21.516 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.419 -7.104 21.653 1.00 0.00 H new ATOM 1240 N GLU A 79 7.830 -6.658 18.951 1.00 0.00 N ATOM 1241 CA GLU A 79 9.241 -6.514 19.290 1.00 0.00 C ATOM 1242 C GLU A 79 9.669 -5.050 19.226 1.00 0.00 C ATOM 1243 O GLU A 79 10.451 -4.584 20.055 1.00 0.00 O ATOM 1244 CB GLU A 79 10.103 -7.350 18.342 1.00 0.00 C ATOM 1245 CG GLU A 79 10.026 -8.844 18.607 1.00 0.00 C ATOM 1246 CD GLU A 79 11.374 -9.445 18.957 1.00 0.00 C ATOM 1247 OE1 GLU A 79 12.315 -9.298 18.149 1.00 0.00 O ATOM 1248 OE2 GLU A 79 11.487 -10.061 20.037 1.00 0.00 O ATOM 0 H GLU A 79 7.651 -7.219 18.118 1.00 0.00 H new ATOM 0 HA GLU A 79 9.382 -6.872 20.310 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.793 -7.155 17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.141 -7.027 18.428 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.327 -9.029 19.423 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.627 -9.345 17.725 1.00 0.00 H new ATOM 1255 N VAL A 80 9.150 -4.330 18.236 1.00 0.00 N ATOM 1256 CA VAL A 80 9.477 -2.920 18.064 1.00 0.00 C ATOM 1257 C VAL A 80 8.969 -2.091 19.238 1.00 0.00 C ATOM 1258 O VAL A 80 9.732 -1.362 19.874 1.00 0.00 O ATOM 1259 CB VAL A 80 8.882 -2.361 16.759 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.140 -0.866 16.651 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.452 -3.097 15.555 1.00 0.00 C ATOM 0 H VAL A 80 8.501 -4.700 17.541 1.00 0.00 H new ATOM 0 HA VAL A 80 10.564 -2.851 18.017 1.00 0.00 H new ATOM 0 HB VAL A 80 7.804 -2.519 16.776 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.712 -0.489 15.722 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.679 -0.355 17.496 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.214 -0.681 16.657 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.020 -2.689 14.641 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.535 -2.973 15.532 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.210 -4.157 15.629 1.00 0.00 H new ATOM 1271 N LEU A 81 7.676 -2.207 19.521 1.00 0.00 N ATOM 1272 CA LEU A 81 7.065 -1.468 20.620 1.00 0.00 C ATOM 1273 C LEU A 81 7.741 -1.803 21.945 1.00 0.00 C ATOM 1274 O LEU A 81 8.192 -0.913 22.668 1.00 0.00 O ATOM 1275 CB LEU A 81 5.570 -1.783 20.703 1.00 0.00 C ATOM 1276 CG LEU A 81 4.748 -1.470 19.453 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.389 -2.149 19.523 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.586 0.034 19.284 1.00 0.00 C ATOM 0 H LEU A 81 7.031 -2.805 19.005 1.00 0.00 H new ATOM 0 HA LEU A 81 7.196 -0.403 20.426 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.455 -2.842 20.934 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.148 -1.227 21.540 1.00 0.00 H new ATOM 0 HG LEU A 81 5.281 -1.858 18.585 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.818 -1.914 18.624 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.525 -3.228 19.595 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.849 -1.792 20.400 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.998 0.238 18.389 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.076 0.445 20.155 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.568 0.497 19.187 1.00 0.00 H new ATOM 1290 N LEU A 82 7.810 -3.093 22.258 1.00 0.00 N ATOM 1291 CA LEU A 82 8.434 -3.547 23.496 1.00 0.00 C ATOM 1292 C LEU A 82 9.866 -3.033 23.605 1.00 0.00 C ATOM 1293 O LEU A 82 10.288 -2.559 24.660 1.00 0.00 O ATOM 1294 CB LEU A 82 8.422 -5.075 23.565 1.00 0.00 C ATOM 1295 CG LEU A 82 7.222 -5.706 24.273 1.00 0.00 C ATOM 1296 CD1 LEU A 82 7.251 -5.385 25.760 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.921 -5.226 23.647 1.00 0.00 C ATOM 0 H LEU A 82 7.442 -3.842 21.672 1.00 0.00 H new ATOM 0 HA LEU A 82 7.860 -3.147 24.331 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.465 -5.465 22.548 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.330 -5.403 24.070 1.00 0.00 H new ATOM 0 HG LEU A 82 7.281 -6.788 24.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.390 -5.842 26.248 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.168 -5.778 26.199 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.216 -4.305 25.900 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.078 -5.685 24.163 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.853 -4.142 23.735 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.898 -5.507 22.594 1.00 0.00 H new ATOM 1309 N SER A 83 10.609 -3.129 22.506 1.00 0.00 N ATOM 1310 CA SER A 83 11.994 -2.675 22.478 1.00 0.00 C ATOM 1311 C SER A 83 12.077 -1.168 22.705 1.00 0.00 C ATOM 1312 O SER A 83 12.900 -0.690 23.487 1.00 0.00 O ATOM 1313 CB SER A 83 12.645 -3.038 21.142 1.00 0.00 C ATOM 1314 OG SER A 83 13.966 -2.531 21.064 1.00 0.00 O ATOM 0 H SER A 83 10.274 -3.517 21.624 1.00 0.00 H new ATOM 0 HA SER A 83 12.531 -3.176 23.284 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.660 -4.121 21.024 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.049 -2.636 20.322 1.00 0.00 H new ATOM 0 HG SER A 83 14.361 -2.778 20.202 1.00 0.00 H new ATOM 1320 N HIS A 84 11.218 -0.424 22.015 1.00 0.00 N ATOM 1321 CA HIS A 84 11.193 1.029 22.140 1.00 0.00 C ATOM 1322 C HIS A 84 10.848 1.445 23.566 1.00 0.00 C ATOM 1323 O HIS A 84 11.599 2.180 24.209 1.00 0.00 O ATOM 1324 CB HIS A 84 10.181 1.628 21.162 1.00 0.00 C ATOM 1325 CG HIS A 84 10.361 3.098 20.941 1.00 0.00 C ATOM 1326 ND1 HIS A 84 11.282 3.779 20.218 1.00 0.00 N flip ATOM 1327 CD2 HIS A 84 9.535 4.050 21.500 1.00 0.00 C flip ATOM 1328 CE1 HIS A 84 10.996 5.116 20.351 1.00 0.00 C flip ATOM 1329 NE2 HIS A 84 9.938 5.253 21.128 1.00 0.00 N flip ATOM 0 H HIS A 84 10.530 -0.803 21.364 1.00 0.00 H new ATOM 0 HA HIS A 84 12.187 1.408 21.900 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.263 1.112 20.205 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.174 1.446 21.537 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.691 3.845 22.142 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.548 5.924 19.894 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.505 6.137 21.396 1.00 0.00 H new ATOM 1337 N LEU A 85 9.707 0.972 24.056 1.00 0.00 N ATOM 1338 CA LEU A 85 9.261 1.296 25.407 1.00 0.00 C ATOM 1339 C LEU A 85 10.263 0.799 26.444 1.00 0.00 C ATOM 1340 O LEU A 85 10.410 1.391 27.513 1.00 0.00 O ATOM 1341 CB LEU A 85 7.887 0.680 25.673 1.00 0.00 C ATOM 1342 CG LEU A 85 6.823 1.627 26.230 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.838 2.023 25.142 1.00 0.00 C ATOM 1344 CD2 LEU A 85 6.097 0.983 27.402 1.00 0.00 C ATOM 0 H LEU A 85 9.074 0.363 23.538 1.00 0.00 H new ATOM 0 HA LEU A 85 9.188 2.380 25.489 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.515 0.256 24.741 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.011 -0.147 26.372 1.00 0.00 H new ATOM 0 HG LEU A 85 7.319 2.530 26.587 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.089 2.697 25.557 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.370 2.526 24.335 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.348 1.131 24.753 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.344 1.671 27.786 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.614 0.064 27.070 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.813 0.752 28.191 1.00 0.00 H new ATOM 1356 N SER A 86 10.951 -0.291 26.120 1.00 0.00 N ATOM 1357 CA SER A 86 11.939 -0.869 27.025 1.00 0.00 C ATOM 1358 C SER A 86 12.946 0.185 27.474 1.00 0.00 C ATOM 1359 O SER A 86 13.411 0.169 28.614 1.00 0.00 O ATOM 1360 CB SER A 86 12.667 -2.029 26.345 1.00 0.00 C ATOM 1361 OG SER A 86 12.277 -3.273 26.901 1.00 0.00 O ATOM 0 H SER A 86 10.843 -0.792 25.238 1.00 0.00 H new ATOM 0 HA SER A 86 11.415 -1.244 27.904 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.451 -2.021 25.277 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.744 -1.900 26.454 1.00 0.00 H new ATOM 0 HG SER A 86 11.494 -3.615 26.421 1.00 0.00 H new ATOM 1367 N TYR A 87 13.278 1.100 26.571 1.00 0.00 N ATOM 1368 CA TYR A 87 14.232 2.161 26.872 1.00 0.00 C ATOM 1369 C TYR A 87 13.552 3.312 27.607 1.00 0.00 C ATOM 1370 O TYR A 87 13.973 3.703 28.697 1.00 0.00 O ATOM 1371 CB TYR A 87 14.878 2.675 25.584 1.00 0.00 C ATOM 1372 CG TYR A 87 15.746 3.897 25.788 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.829 3.867 26.657 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.482 5.081 25.110 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.624 4.980 26.847 1.00 0.00 C ATOM 1376 CE2 TYR A 87 16.273 6.199 25.293 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.342 6.144 26.163 1.00 0.00 C ATOM 1378 OH TYR A 87 18.132 7.255 26.348 1.00 0.00 O ATOM 0 H TYR A 87 12.901 1.129 25.624 1.00 0.00 H new ATOM 0 HA TYR A 87 15.006 1.747 27.519 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.482 1.879 25.148 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.095 2.912 24.864 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.053 2.957 27.194 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.645 5.128 24.429 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.462 4.939 27.527 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.055 7.111 24.758 1.00 0.00 H new ATOM 0 HH TYR A 87 17.799 7.990 25.792 1.00 0.00 H new ATOM 1388 N LEU A 88 12.498 3.850 27.004 1.00 0.00 N ATOM 1389 CA LEU A 88 11.757 4.957 27.601 1.00 0.00 C ATOM 1390 C LEU A 88 11.347 4.628 29.033 1.00 0.00 C ATOM 1391 O LEU A 88 11.224 5.518 29.874 1.00 0.00 O ATOM 1392 CB LEU A 88 10.518 5.277 26.764 1.00 0.00 C ATOM 1393 CG LEU A 88 10.760 6.082 25.487 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.447 5.222 24.436 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.449 6.637 24.950 1.00 0.00 C ATOM 0 H LEU A 88 12.137 3.538 26.102 1.00 0.00 H new ATOM 0 HA LEU A 88 12.409 5.830 27.621 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.036 4.338 26.492 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.814 5.827 27.389 1.00 0.00 H new ATOM 0 HG LEU A 88 11.415 6.920 25.727 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.611 5.812 23.534 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.405 4.873 24.821 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.817 4.364 24.199 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.640 7.207 24.041 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.770 5.814 24.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.996 7.288 25.698 1.00 0.00 H new