USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 23 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.69) USER MOD Single : A 26 ASN : amide:sc= -4.03! C(o=-4!,f=-5.1!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.0063) USER MOD Single : A 45 GLN : amide:sc= -4.56! C(o=-4.6!,f=-7.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.16) USER MOD Single : A 65 TYR OH : rot 159:sc= -3.4! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.151) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.2!) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.257 (180deg=-0.776) USER MOD Single : A 90 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.656 37.339 35.618 1.00 0.00 N ATOM 313 CA THR A 21 13.392 38.589 35.700 1.00 0.00 C ATOM 314 C THR A 21 13.375 39.308 34.349 1.00 0.00 C ATOM 315 O THR A 21 12.465 40.086 34.068 1.00 0.00 O ATOM 316 CB THR A 21 14.803 38.276 36.202 1.00 0.00 C ATOM 317 OG1 THR A 21 14.649 38.153 37.614 1.00 0.00 O ATOM 318 CG2 THR A 21 15.761 39.457 36.034 1.00 0.00 C ATOM 0 HA THR A 21 12.925 39.276 36.406 1.00 0.00 H new ATOM 0 HB THR A 21 15.195 37.412 35.666 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.517 37.948 38.021 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.748 39.181 36.406 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.832 39.721 34.979 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.387 40.312 36.597 1.00 0.00 H new ATOM 326 N HIS A 22 14.390 39.019 33.548 1.00 0.00 N ATOM 327 CA HIS A 22 14.503 39.628 32.234 1.00 0.00 C ATOM 328 C HIS A 22 13.133 39.633 31.552 1.00 0.00 C ATOM 329 O HIS A 22 12.855 40.491 30.716 1.00 0.00 O ATOM 330 CB HIS A 22 15.578 38.928 31.401 1.00 0.00 C ATOM 331 CG HIS A 22 16.854 38.646 32.158 1.00 0.00 C ATOM 332 ND1 HIS A 22 17.365 37.369 32.315 1.00 0.00 N ATOM 333 CD2 HIS A 22 17.716 39.488 32.797 1.00 0.00 C ATOM 334 CE1 HIS A 22 18.484 37.451 33.020 1.00 0.00 C ATOM 335 NE2 HIS A 22 18.700 38.765 33.318 1.00 0.00 N ATOM 0 H HIS A 22 15.142 38.371 33.784 1.00 0.00 H new ATOM 0 HA HIS A 22 14.824 40.665 32.336 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.176 37.988 31.024 1.00 0.00 H new ATOM 0 HB3 HIS A 22 15.811 39.546 30.534 1.00 0.00 H new ATOM 0 HD2 HIS A 22 17.615 40.561 32.867 1.00 0.00 H new ATOM 0 HE1 HIS A 22 19.115 36.623 33.308 1.00 0.00 H new ATOM 0 HE2 HIS A 22 19.488 39.131 33.853 1.00 0.00 H new ATOM 343 N HIS A 23 12.315 38.663 31.933 1.00 0.00 N ATOM 344 CA HIS A 23 10.981 38.545 31.369 1.00 0.00 C ATOM 345 C HIS A 23 10.113 39.707 31.854 1.00 0.00 C ATOM 346 O HIS A 23 9.568 40.458 31.047 1.00 0.00 O ATOM 347 CB HIS A 23 10.375 37.177 31.690 1.00 0.00 C ATOM 348 CG HIS A 23 11.221 36.010 31.242 1.00 0.00 C ATOM 349 ND1 HIS A 23 12.370 36.163 30.485 1.00 0.00 N ATOM 350 CD2 HIS A 23 11.075 34.670 31.451 1.00 0.00 C ATOM 351 CE1 HIS A 23 12.883 34.964 30.255 1.00 0.00 C ATOM 352 NE2 HIS A 23 12.079 34.039 30.855 1.00 0.00 N ATOM 0 H HIS A 23 12.550 37.952 32.625 1.00 0.00 H new ATOM 0 HA HIS A 23 11.035 38.608 30.282 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.216 37.105 32.766 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.395 37.105 31.217 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.277 34.201 32.008 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.780 34.755 29.691 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.225 33.030 30.847 1.00 0.00 H new ATOM 360 N TRP A 24 10.011 39.817 33.170 1.00 0.00 N ATOM 361 CA TRP A 24 9.217 40.875 33.773 1.00 0.00 C ATOM 362 C TRP A 24 9.906 42.209 33.479 1.00 0.00 C ATOM 363 O TRP A 24 9.249 43.186 33.124 1.00 0.00 O ATOM 364 CB TRP A 24 9.015 40.624 35.269 1.00 0.00 C ATOM 365 CG TRP A 24 8.398 41.806 36.020 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.885 42.447 37.091 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.150 42.464 35.713 1.00 0.00 C ATOM 368 NE1 TRP A 24 8.047 43.467 37.493 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.958 43.477 36.629 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.215 42.209 34.694 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.840 44.318 36.618 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.102 43.059 34.697 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.894 44.085 35.613 1.00 0.00 C ATOM 0 H TRP A 24 10.465 39.191 33.836 1.00 0.00 H new ATOM 0 HA TRP A 24 8.215 40.898 33.344 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.375 39.751 35.397 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.978 40.383 35.720 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.816 42.197 37.578 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.199 44.098 38.280 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.345 41.421 33.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.714 45.105 37.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.352 42.907 33.934 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.007 44.698 35.549 1.00 0.00 H new ATOM 384 N LEU A 25 11.221 42.206 33.638 1.00 0.00 N ATOM 385 CA LEU A 25 12.007 43.404 33.394 1.00 0.00 C ATOM 386 C LEU A 25 11.673 43.954 32.006 1.00 0.00 C ATOM 387 O LEU A 25 11.638 45.167 31.807 1.00 0.00 O ATOM 388 CB LEU A 25 13.496 43.119 33.600 1.00 0.00 C ATOM 389 CG LEU A 25 14.372 44.331 33.923 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.681 45.256 34.926 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.756 43.894 34.406 1.00 0.00 C ATOM 0 H LEU A 25 11.762 41.393 33.933 1.00 0.00 H new ATOM 0 HA LEU A 25 11.752 44.180 34.115 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.599 42.395 34.409 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.883 42.646 32.698 1.00 0.00 H new ATOM 0 HG LEU A 25 14.516 44.902 33.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.325 46.109 35.138 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.739 45.608 34.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.486 44.711 35.849 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.358 44.775 34.629 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.653 43.288 35.306 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.244 43.308 33.628 1.00 0.00 H new ATOM 403 N ASN A 26 11.436 43.034 31.082 1.00 0.00 N ATOM 404 CA ASN A 26 11.106 43.412 29.718 1.00 0.00 C ATOM 405 C ASN A 26 9.815 44.234 29.720 1.00 0.00 C ATOM 406 O ASN A 26 9.567 45.009 28.797 1.00 0.00 O ATOM 407 CB ASN A 26 10.878 42.177 28.844 1.00 0.00 C ATOM 408 CG ASN A 26 10.582 42.576 27.397 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.611 42.148 26.795 1.00 0.00 O ATOM 410 ND2 ASN A 26 11.470 43.418 26.875 1.00 0.00 N ATOM 0 H ASN A 26 11.466 42.029 31.251 1.00 0.00 H new ATOM 0 HA ASN A 26 11.939 43.989 29.317 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.760 41.537 28.875 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.047 41.594 29.241 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.360 43.744 25.915 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.261 43.737 27.435 1.00 0.00 H new ATOM 417 N PHE A 27 9.027 44.037 30.766 1.00 0.00 N ATOM 418 CA PHE A 27 7.768 44.752 30.900 1.00 0.00 C ATOM 419 C PHE A 27 7.926 45.977 31.801 1.00 0.00 C ATOM 420 O PHE A 27 7.256 46.990 31.601 1.00 0.00 O ATOM 421 CB PHE A 27 6.772 43.784 31.543 1.00 0.00 C ATOM 422 CG PHE A 27 5.309 44.087 31.213 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.979 45.249 30.588 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.338 43.193 31.542 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.622 45.530 30.281 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.980 43.474 31.235 1.00 0.00 C ATOM 427 CZ PHE A 27 2.651 44.636 30.610 1.00 0.00 C ATOM 0 H PHE A 27 9.235 43.393 31.529 1.00 0.00 H new ATOM 0 HA PHE A 27 7.429 45.096 29.923 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.005 42.770 31.218 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.903 43.810 32.625 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.750 45.958 30.325 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.600 42.269 32.037 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.360 46.454 29.786 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.209 42.765 31.498 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.619 44.849 30.375 1.00 0.00 H new ATOM 437 N LEU A 28 8.814 45.845 32.776 1.00 0.00 N ATOM 438 CA LEU A 28 9.069 46.929 33.708 1.00 0.00 C ATOM 439 C LEU A 28 9.935 47.990 33.027 1.00 0.00 C ATOM 440 O LEU A 28 9.792 49.181 33.300 1.00 0.00 O ATOM 441 CB LEU A 28 9.668 46.387 35.009 1.00 0.00 C ATOM 442 CG LEU A 28 9.934 47.421 36.106 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.798 48.442 36.183 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.184 46.738 37.452 1.00 0.00 C ATOM 0 H LEU A 28 9.366 45.003 32.940 1.00 0.00 H new ATOM 0 HA LEU A 28 8.135 47.415 33.992 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.994 45.628 35.408 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.607 45.887 34.773 1.00 0.00 H new ATOM 0 HG LEU A 28 10.841 47.968 35.849 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.012 49.165 36.970 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.709 48.960 35.228 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.862 47.929 36.406 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.370 47.494 38.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.309 46.150 37.730 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.051 46.082 37.372 1.00 0.00 H new ATOM 456 N GLN A 29 10.814 47.520 32.154 1.00 0.00 N ATOM 457 CA GLN A 29 11.702 48.414 31.432 1.00 0.00 C ATOM 458 C GLN A 29 10.893 49.405 30.594 1.00 0.00 C ATOM 459 O GLN A 29 11.116 50.613 30.668 1.00 0.00 O ATOM 460 CB GLN A 29 12.679 47.626 30.557 1.00 0.00 C ATOM 461 CG GLN A 29 13.995 47.374 31.294 1.00 0.00 C ATOM 462 CD GLN A 29 14.994 46.638 30.397 1.00 0.00 C ATOM 463 OE1 GLN A 29 16.012 47.173 29.988 1.00 0.00 O ATOM 464 NE2 GLN A 29 14.648 45.385 30.117 1.00 0.00 N ATOM 0 H GLN A 29 10.930 46.532 31.931 1.00 0.00 H new ATOM 0 HA GLN A 29 12.288 48.977 32.159 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.230 46.675 30.271 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.873 48.176 29.636 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.422 48.323 31.618 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.806 46.786 32.192 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.782 44.999 30.492 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.249 44.810 29.527 1.00 0.00 H new ATOM 473 N ALA A 30 9.970 48.858 29.818 1.00 0.00 N ATOM 474 CA ALA A 30 9.125 49.679 28.967 1.00 0.00 C ATOM 475 C ALA A 30 8.309 50.637 29.837 1.00 0.00 C ATOM 476 O ALA A 30 8.169 51.814 29.509 1.00 0.00 O ATOM 477 CB ALA A 30 8.241 48.779 28.102 1.00 0.00 C ATOM 0 H ALA A 30 9.788 47.856 29.760 1.00 0.00 H new ATOM 0 HA ALA A 30 9.732 50.283 28.293 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.608 49.396 27.464 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.869 48.140 27.481 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.615 48.159 28.744 1.00 0.00 H new ATOM 483 N ALA A 31 7.790 50.096 30.930 1.00 0.00 N ATOM 484 CA ALA A 31 6.991 50.887 31.851 1.00 0.00 C ATOM 485 C ALA A 31 7.835 52.047 32.384 1.00 0.00 C ATOM 486 O ALA A 31 7.334 53.157 32.552 1.00 0.00 O ATOM 487 CB ALA A 31 6.461 49.988 32.969 1.00 0.00 C ATOM 0 H ALA A 31 7.907 49.119 31.198 1.00 0.00 H new ATOM 0 HA ALA A 31 6.128 51.315 31.341 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.862 50.581 33.660 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.844 49.198 32.540 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.299 49.543 33.506 1.00 0.00 H new ATOM 493 N TYR A 32 9.101 51.749 32.637 1.00 0.00 N ATOM 494 CA TYR A 32 10.019 52.752 33.148 1.00 0.00 C ATOM 495 C TYR A 32 10.450 53.715 32.041 1.00 0.00 C ATOM 496 O TYR A 32 10.920 54.817 32.320 1.00 0.00 O ATOM 497 CB TYR A 32 11.246 51.986 33.648 1.00 0.00 C ATOM 498 CG TYR A 32 11.689 52.374 35.060 1.00 0.00 C ATOM 499 CD1 TYR A 32 10.817 52.232 36.121 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.960 52.867 35.273 1.00 0.00 C ATOM 501 CE1 TYR A 32 11.235 52.597 37.449 1.00 0.00 C ATOM 502 CE2 TYR A 32 13.377 53.233 36.601 1.00 0.00 C ATOM 503 CZ TYR A 32 12.495 53.079 37.624 1.00 0.00 C ATOM 504 OH TYR A 32 12.889 53.425 38.879 1.00 0.00 O ATOM 0 H TYR A 32 9.513 50.826 32.497 1.00 0.00 H new ATOM 0 HA TYR A 32 9.545 53.341 33.934 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.028 50.918 33.627 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.073 52.156 32.959 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.822 51.847 35.955 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.642 52.978 34.443 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.563 52.491 38.288 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.369 53.621 36.781 1.00 0.00 H new ATOM 0 HH TYR A 32 13.812 53.752 38.853 1.00 0.00 H new ATOM 514 N ARG A 33 10.276 53.265 30.807 1.00 0.00 N ATOM 515 CA ARG A 33 10.640 54.074 29.656 1.00 0.00 C ATOM 516 C ARG A 33 9.569 55.133 29.389 1.00 0.00 C ATOM 517 O ARG A 33 9.869 56.209 28.875 1.00 0.00 O ATOM 518 CB ARG A 33 10.813 53.207 28.407 1.00 0.00 C ATOM 519 CG ARG A 33 10.839 54.068 27.142 1.00 0.00 C ATOM 520 CD ARG A 33 11.897 53.566 26.159 1.00 0.00 C ATOM 521 NE ARG A 33 12.415 54.694 25.353 1.00 0.00 N ATOM 522 CZ ARG A 33 11.860 55.115 24.196 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.764 54.502 23.699 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.405 56.134 23.558 1.00 0.00 N ATOM 0 H ARG A 33 9.887 52.350 30.579 1.00 0.00 H new ATOM 0 HA ARG A 33 11.588 54.562 29.881 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.738 52.636 28.482 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.998 52.486 28.344 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.858 54.051 26.666 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.047 55.105 27.408 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.714 53.091 26.702 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.467 52.808 25.504 1.00 0.00 H new ATOM 0 HE ARG A 33 13.243 55.184 25.692 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.349 53.715 24.198 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.351 54.826 22.825 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.233 56.591 23.940 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.998 56.464 22.683 1.00 0.00 H new ATOM 537 N LEU A 34 8.341 54.790 29.751 1.00 0.00 N ATOM 538 CA LEU A 34 7.223 55.697 29.557 1.00 0.00 C ATOM 539 C LEU A 34 7.211 56.732 30.683 1.00 0.00 C ATOM 540 O LEU A 34 8.252 57.286 31.033 1.00 0.00 O ATOM 541 CB LEU A 34 5.914 54.916 29.427 1.00 0.00 C ATOM 542 CG LEU A 34 5.887 53.826 28.353 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.578 53.038 28.404 1.00 0.00 C ATOM 544 CD2 LEU A 34 6.146 54.419 26.965 1.00 0.00 C ATOM 0 H LEU A 34 8.096 53.896 30.178 1.00 0.00 H new ATOM 0 HA LEU A 34 7.335 56.244 28.621 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.692 54.455 30.390 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.111 55.623 29.219 1.00 0.00 H new ATOM 0 HG LEU A 34 6.694 53.122 28.559 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.585 52.270 27.630 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.475 52.567 29.382 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.740 53.714 28.236 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.122 53.624 26.219 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.377 55.156 26.735 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.124 54.899 26.951 1.00 0.00 H new ATOM 665 N PHE A 43 1.739 49.759 39.200 1.00 0.00 N ATOM 666 CA PHE A 43 1.899 48.342 38.921 1.00 0.00 C ATOM 667 C PHE A 43 0.581 47.591 39.125 1.00 0.00 C ATOM 668 O PHE A 43 0.460 46.427 38.746 1.00 0.00 O ATOM 669 CB PHE A 43 2.936 47.806 39.911 1.00 0.00 C ATOM 670 CG PHE A 43 4.384 48.104 39.516 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.894 49.352 39.694 1.00 0.00 C ATOM 672 CD2 PHE A 43 5.160 47.120 38.987 1.00 0.00 C ATOM 673 CE1 PHE A 43 6.238 49.628 39.327 1.00 0.00 C ATOM 674 CE2 PHE A 43 6.504 47.397 38.621 1.00 0.00 C ATOM 675 CZ PHE A 43 7.015 48.644 38.799 1.00 0.00 C ATOM 0 HA PHE A 43 2.212 48.199 37.887 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.742 48.236 40.893 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.810 46.727 40.005 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.277 50.133 40.114 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.754 46.129 38.845 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.643 50.619 39.467 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.121 46.616 38.201 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.037 48.854 38.521 1.00 0.00 H new ATOM 685 N GLN A 44 -0.373 48.288 39.725 1.00 0.00 N ATOM 686 CA GLN A 44 -1.678 47.701 39.983 1.00 0.00 C ATOM 687 C GLN A 44 -2.382 47.373 38.665 1.00 0.00 C ATOM 688 O GLN A 44 -2.838 46.249 38.464 1.00 0.00 O ATOM 689 CB GLN A 44 -2.534 48.630 40.847 1.00 0.00 C ATOM 690 CG GLN A 44 -2.853 49.930 40.106 1.00 0.00 C ATOM 691 CD GLN A 44 -3.446 50.971 41.058 1.00 0.00 C ATOM 692 OE1 GLN A 44 -2.839 51.369 42.040 1.00 0.00 O ATOM 693 NE2 GLN A 44 -4.660 51.390 40.713 1.00 0.00 N ATOM 0 H GLN A 44 -0.269 49.253 40.040 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.536 46.773 40.536 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.461 48.126 41.120 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.009 48.856 41.775 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.946 50.325 39.649 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.556 49.729 39.297 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.111 51.015 39.878 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.140 52.086 41.283 1.00 0.00 H new ATOM 702 N GLN A 45 -2.451 48.376 37.802 1.00 0.00 N ATOM 703 CA GLN A 45 -3.094 48.209 36.509 1.00 0.00 C ATOM 704 C GLN A 45 -2.358 47.150 35.684 1.00 0.00 C ATOM 705 O GLN A 45 -2.898 46.634 34.708 1.00 0.00 O ATOM 706 CB GLN A 45 -3.166 49.539 35.756 1.00 0.00 C ATOM 707 CG GLN A 45 -4.066 49.423 34.525 1.00 0.00 C ATOM 708 CD GLN A 45 -3.516 50.251 33.363 1.00 0.00 C ATOM 709 OE1 GLN A 45 -4.038 51.294 33.007 1.00 0.00 O ATOM 710 NE2 GLN A 45 -2.431 49.731 32.793 1.00 0.00 N ATOM 0 H GLN A 45 -2.072 49.308 37.973 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.116 47.868 36.674 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.548 50.316 36.418 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.165 49.843 35.452 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.146 48.378 34.226 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.072 49.761 34.773 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.044 48.853 33.140 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.987 50.210 32.010 1.00 0.00 H new ATOM 719 N LEU A 46 -1.137 46.860 36.108 1.00 0.00 N ATOM 720 CA LEU A 46 -0.321 45.872 35.421 1.00 0.00 C ATOM 721 C LEU A 46 -0.663 44.478 35.949 1.00 0.00 C ATOM 722 O LEU A 46 -1.024 43.590 35.178 1.00 0.00 O ATOM 723 CB LEU A 46 1.162 46.228 35.538 1.00 0.00 C ATOM 724 CG LEU A 46 1.933 46.333 34.219 1.00 0.00 C ATOM 725 CD1 LEU A 46 3.284 47.020 34.428 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.082 44.961 33.561 1.00 0.00 C ATOM 0 H LEU A 46 -0.693 47.291 36.918 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.541 45.871 34.354 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.247 47.180 36.062 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.648 45.477 36.161 1.00 0.00 H new ATOM 0 HG LEU A 46 1.358 46.956 33.535 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.812 47.082 33.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.125 48.024 34.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.880 46.444 35.136 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.633 45.064 32.626 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.624 44.293 34.230 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.095 44.546 33.357 1.00 0.00 H new ATOM 738 N ARG A 47 -0.538 44.330 37.260 1.00 0.00 N ATOM 739 CA ARG A 47 -0.829 43.058 37.900 1.00 0.00 C ATOM 740 C ARG A 47 -2.216 42.561 37.488 1.00 0.00 C ATOM 741 O ARG A 47 -2.508 41.371 37.588 1.00 0.00 O ATOM 742 CB ARG A 47 -0.771 43.183 39.423 1.00 0.00 C ATOM 743 CG ARG A 47 -0.448 41.835 40.072 1.00 0.00 C ATOM 744 CD ARG A 47 0.046 42.022 41.509 1.00 0.00 C ATOM 745 NE ARG A 47 -0.866 41.336 42.451 1.00 0.00 N ATOM 746 CZ ARG A 47 -0.977 41.648 43.759 1.00 0.00 C ATOM 747 NH1 ARG A 47 -0.233 42.639 44.293 1.00 0.00 N ATOM 748 NH2 ARG A 47 -1.824 40.969 44.510 1.00 0.00 N ATOM 0 H ARG A 47 -0.239 45.069 37.896 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.073 42.343 37.576 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.014 43.916 39.703 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.726 43.552 39.798 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.336 41.204 40.068 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.313 41.318 39.487 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.055 41.622 41.610 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.098 43.084 41.749 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.447 40.580 42.089 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.420 43.159 43.707 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.324 42.868 45.283 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.383 40.221 44.100 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.920 41.193 45.501 1.00 0.00 H new ATOM 761 N ARG A 48 -3.034 43.500 37.033 1.00 0.00 N ATOM 762 CA ARG A 48 -4.384 43.172 36.606 1.00 0.00 C ATOM 763 C ARG A 48 -4.347 42.356 35.312 1.00 0.00 C ATOM 764 O ARG A 48 -5.173 41.467 35.112 1.00 0.00 O ATOM 765 CB ARG A 48 -5.211 44.438 36.378 1.00 0.00 C ATOM 766 CG ARG A 48 -6.347 44.542 37.398 1.00 0.00 C ATOM 767 CD ARG A 48 -5.823 45.014 38.757 1.00 0.00 C ATOM 768 NE ARG A 48 -5.927 46.486 38.855 1.00 0.00 N ATOM 769 CZ ARG A 48 -7.094 47.160 38.913 1.00 0.00 C ATOM 770 NH1 ARG A 48 -8.270 46.498 38.882 1.00 0.00 N ATOM 771 NH2 ARG A 48 -7.069 48.478 38.999 1.00 0.00 N ATOM 0 H ARG A 48 -2.788 44.486 36.951 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.849 42.585 37.397 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.568 45.315 36.454 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.623 44.431 35.369 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.104 45.237 37.035 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.832 43.572 37.508 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.395 44.547 39.559 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.785 44.705 38.883 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.062 47.026 38.880 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.281 45.480 38.814 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.148 47.015 38.926 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.176 48.971 39.021 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.942 49.003 39.044 1.00 0.00 H new ATOM 784 N PHE A 49 -3.381 42.687 34.468 1.00 0.00 N ATOM 785 CA PHE A 49 -3.226 41.995 33.199 1.00 0.00 C ATOM 786 C PHE A 49 -2.411 40.711 33.371 1.00 0.00 C ATOM 787 O PHE A 49 -2.703 39.698 32.738 1.00 0.00 O ATOM 788 CB PHE A 49 -2.474 42.942 32.263 1.00 0.00 C ATOM 789 CG PHE A 49 -2.063 42.306 30.933 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.993 41.681 30.162 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.768 42.365 30.522 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.612 41.091 28.928 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.387 41.775 29.289 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.317 41.151 28.517 1.00 0.00 C ATOM 0 H PHE A 49 -2.698 43.425 34.638 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.203 41.722 32.801 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.101 43.810 32.060 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.581 43.306 32.771 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.021 41.633 30.488 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.029 42.861 31.134 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.350 40.595 28.316 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.642 41.821 28.963 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.027 40.703 27.578 1.00 0.00 H new ATOM 804 N LEU A 50 -1.406 40.797 34.230 1.00 0.00 N ATOM 805 CA LEU A 50 -0.547 39.655 34.491 1.00 0.00 C ATOM 806 C LEU A 50 -1.363 38.554 35.172 1.00 0.00 C ATOM 807 O LEU A 50 -1.324 37.399 34.753 1.00 0.00 O ATOM 808 CB LEU A 50 0.688 40.085 35.285 1.00 0.00 C ATOM 809 CG LEU A 50 1.568 41.152 34.631 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.313 41.971 35.686 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.522 40.526 33.611 1.00 0.00 C ATOM 0 H LEU A 50 -1.168 41.639 34.754 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.169 39.241 33.556 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.360 40.458 36.255 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.300 39.203 35.473 1.00 0.00 H new ATOM 0 HG LEU A 50 0.922 41.841 34.087 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.931 42.722 35.194 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.593 42.465 36.339 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.947 41.311 36.278 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.136 41.306 33.161 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.165 39.801 34.111 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.946 40.024 32.834 1.00 0.00 H new ATOM 823 N LYS A 51 -2.082 38.952 36.211 1.00 0.00 N ATOM 824 CA LYS A 51 -2.906 38.014 36.954 1.00 0.00 C ATOM 825 C LYS A 51 -3.933 37.385 36.011 1.00 0.00 C ATOM 826 O LYS A 51 -4.344 36.242 36.207 1.00 0.00 O ATOM 827 CB LYS A 51 -3.529 38.697 38.173 1.00 0.00 C ATOM 828 CG LYS A 51 -4.218 37.676 39.082 1.00 0.00 C ATOM 829 CD LYS A 51 -3.343 37.338 40.291 1.00 0.00 C ATOM 830 CE LYS A 51 -3.567 38.340 41.425 1.00 0.00 C ATOM 831 NZ LYS A 51 -4.772 37.979 42.205 1.00 0.00 N ATOM 0 H LYS A 51 -2.111 39.911 36.556 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.296 37.202 37.349 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.757 39.225 38.733 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.252 39.444 37.846 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.175 38.073 39.421 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.432 36.768 38.518 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.571 36.331 40.640 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.293 37.343 39.998 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.695 38.359 42.079 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.679 39.344 41.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.910 38.669 42.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.604 37.984 41.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.650 37.030 42.612 1.00 0.00 H new ATOM 844 N LEU A 52 -4.319 38.159 35.006 1.00 0.00 N ATOM 845 CA LEU A 52 -5.290 37.693 34.032 1.00 0.00 C ATOM 846 C LEU A 52 -4.701 36.512 33.256 1.00 0.00 C ATOM 847 O LEU A 52 -5.330 35.461 33.146 1.00 0.00 O ATOM 848 CB LEU A 52 -5.750 38.847 33.139 1.00 0.00 C ATOM 849 CG LEU A 52 -6.486 38.450 31.857 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.250 39.641 31.273 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.523 37.833 30.841 1.00 0.00 C ATOM 0 H LEU A 52 -3.976 39.106 34.846 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.188 37.331 34.533 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.403 39.495 33.724 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.877 39.439 32.865 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.222 37.686 32.108 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.764 39.332 30.363 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.980 39.996 32.000 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.550 40.443 31.040 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.071 37.560 29.939 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.748 38.556 30.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.063 36.943 31.270 1.00 0.00 H new ATOM 863 N ALA A 53 -3.500 36.726 32.739 1.00 0.00 N ATOM 864 CA ALA A 53 -2.819 35.693 31.977 1.00 0.00 C ATOM 865 C ALA A 53 -2.567 34.483 32.877 1.00 0.00 C ATOM 866 O ALA A 53 -2.542 33.347 32.405 1.00 0.00 O ATOM 867 CB ALA A 53 -1.525 36.261 31.388 1.00 0.00 C ATOM 0 H ALA A 53 -2.981 37.599 32.833 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.438 35.361 31.144 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.014 35.486 30.817 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.761 37.099 30.732 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.877 36.603 32.195 1.00 0.00 H new ATOM 873 N LEU A 54 -2.387 34.766 34.159 1.00 0.00 N ATOM 874 CA LEU A 54 -2.138 33.715 35.131 1.00 0.00 C ATOM 875 C LEU A 54 -3.241 32.660 35.028 1.00 0.00 C ATOM 876 O LEU A 54 -3.012 31.487 35.318 1.00 0.00 O ATOM 877 CB LEU A 54 -1.983 34.308 36.533 1.00 0.00 C ATOM 878 CG LEU A 54 -0.675 33.982 37.257 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.515 34.048 36.298 1.00 0.00 C ATOM 880 CD2 LEU A 54 -0.481 34.890 38.474 1.00 0.00 C ATOM 0 H LEU A 54 -2.409 35.709 34.547 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.195 33.213 34.916 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.075 35.392 36.460 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.813 33.959 37.148 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.735 32.958 37.625 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.432 33.812 36.839 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.373 33.328 35.492 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.589 35.051 35.879 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.456 34.638 38.971 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.451 35.931 38.151 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.309 34.749 39.169 1.00 0.00 H new ATOM 892 N LYS A 55 -4.415 33.115 34.616 1.00 0.00 N ATOM 893 CA LYS A 55 -5.554 32.225 34.470 1.00 0.00 C ATOM 894 C LYS A 55 -5.320 31.294 33.280 1.00 0.00 C ATOM 895 O LYS A 55 -6.061 30.332 33.084 1.00 0.00 O ATOM 896 CB LYS A 55 -6.854 33.027 34.376 1.00 0.00 C ATOM 897 CG LYS A 55 -8.020 32.258 34.999 1.00 0.00 C ATOM 898 CD LYS A 55 -8.177 32.604 36.481 1.00 0.00 C ATOM 899 CE LYS A 55 -9.393 33.505 36.707 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.607 33.735 38.154 1.00 0.00 N ATOM 0 H LYS A 55 -4.602 34.089 34.379 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.659 31.595 35.353 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.732 33.984 34.884 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.075 33.246 33.331 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.942 32.495 34.467 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.854 31.186 34.888 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.285 31.688 37.063 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.277 33.105 36.839 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.246 34.458 36.199 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.280 33.045 36.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.436 34.348 38.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.769 32.825 38.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.767 34.194 38.561 1.00 0.00 H new ATOM 913 N THR A 56 -4.285 31.611 32.514 1.00 0.00 N ATOM 914 CA THR A 56 -3.945 30.815 31.349 1.00 0.00 C ATOM 915 C THR A 56 -2.516 30.280 31.467 1.00 0.00 C ATOM 916 O THR A 56 -1.581 30.871 30.930 1.00 0.00 O ATOM 917 CB THR A 56 -4.168 31.678 30.105 1.00 0.00 C ATOM 918 OG1 THR A 56 -5.387 32.366 30.375 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.480 30.843 28.861 1.00 0.00 C ATOM 0 H THR A 56 -3.671 32.409 32.679 1.00 0.00 H new ATOM 0 HA THR A 56 -4.584 29.935 31.272 1.00 0.00 H new ATOM 0 HB THR A 56 -3.282 32.286 29.921 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.607 32.951 29.620 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.629 31.504 28.007 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.648 30.169 28.657 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.385 30.260 29.032 1.00 0.00 H new ATOM 927 N PRO A 57 -2.390 29.137 32.194 1.00 0.00 N ATOM 928 CA PRO A 57 -1.091 28.516 32.390 1.00 0.00 C ATOM 929 C PRO A 57 -0.628 27.801 31.119 1.00 0.00 C ATOM 930 O PRO A 57 -0.295 26.617 31.155 1.00 0.00 O ATOM 931 CB PRO A 57 -1.280 27.572 33.566 1.00 0.00 C ATOM 932 CG PRO A 57 -2.780 27.353 33.688 1.00 0.00 C ATOM 933 CD PRO A 57 -3.474 28.409 32.845 1.00 0.00 C ATOM 0 HA PRO A 57 -0.305 29.242 32.601 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.760 26.629 33.397 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.872 28.002 34.481 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.049 26.354 33.346 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.094 27.429 34.729 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.141 27.955 32.113 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.081 29.072 33.462 1.00 0.00 H new ATOM 941 N ILE A 58 -0.621 28.549 30.027 1.00 0.00 N ATOM 942 CA ILE A 58 -0.204 28.001 28.747 1.00 0.00 C ATOM 943 C ILE A 58 1.026 28.763 28.247 1.00 0.00 C ATOM 944 O ILE A 58 1.778 28.257 27.416 1.00 0.00 O ATOM 945 CB ILE A 58 -1.371 28.003 27.757 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.897 28.373 26.350 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.499 28.917 28.240 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.031 27.295 25.783 1.00 0.00 C ATOM 0 H ILE A 58 -0.897 29.531 30.001 1.00 0.00 H new ATOM 0 HA ILE A 58 0.089 26.957 28.858 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.775 26.992 27.705 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.758 28.499 25.694 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.375 29.329 26.378 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.315 28.900 27.518 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.862 28.567 29.207 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.124 29.936 28.340 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.354 27.582 24.782 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.903 27.189 26.429 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.502 26.345 25.734 1.00 0.00 H new ATOM 960 N TRP A 59 1.193 29.966 28.777 1.00 0.00 N ATOM 961 CA TRP A 59 2.318 30.802 28.396 1.00 0.00 C ATOM 962 C TRP A 59 3.425 30.605 29.433 1.00 0.00 C ATOM 963 O TRP A 59 4.596 30.857 29.152 1.00 0.00 O ATOM 964 CB TRP A 59 1.890 32.264 28.246 1.00 0.00 C ATOM 965 CG TRP A 59 1.050 32.787 29.411 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.263 32.620 29.621 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.519 33.575 30.525 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.672 33.242 30.785 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.447 33.840 31.352 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.810 34.049 30.824 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.554 34.587 32.530 1.00 0.00 C ATOM 972 CZ3 TRP A 59 2.900 34.793 32.007 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.829 35.068 32.849 1.00 0.00 C ATOM 0 H TRP A 59 0.568 30.381 29.467 1.00 0.00 H new ATOM 0 HA TRP A 59 2.702 30.511 27.418 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.781 32.884 28.146 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.321 32.373 27.323 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.919 32.069 28.963 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.621 33.259 31.159 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.663 33.854 30.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.302 34.782 33.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.869 35.180 32.284 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.980 35.651 33.746 1.00 0.00 H new ATOM 984 N LEU A 60 3.016 30.159 30.611 1.00 0.00 N ATOM 985 CA LEU A 60 3.958 29.926 31.692 1.00 0.00 C ATOM 986 C LEU A 60 4.850 28.734 31.339 1.00 0.00 C ATOM 987 O LEU A 60 6.074 28.842 31.361 1.00 0.00 O ATOM 988 CB LEU A 60 3.219 29.768 33.023 1.00 0.00 C ATOM 989 CG LEU A 60 3.464 30.865 34.060 1.00 0.00 C ATOM 990 CD1 LEU A 60 3.668 32.223 33.385 1.00 0.00 C ATOM 991 CD2 LEU A 60 2.338 30.903 35.095 1.00 0.00 C ATOM 0 H LEU A 60 2.044 29.953 30.841 1.00 0.00 H new ATOM 0 HA LEU A 60 4.613 30.788 31.818 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.149 29.721 32.819 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.502 28.811 33.462 1.00 0.00 H new ATOM 0 HG LEU A 60 4.385 30.630 34.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.840 32.985 34.145 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.530 32.173 32.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.779 32.480 32.809 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.537 31.692 35.820 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.390 31.101 34.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.283 29.943 35.609 1.00 0.00 H new ATOM 1003 N ASN A 61 4.200 27.624 31.019 1.00 0.00 N ATOM 1004 CA ASN A 61 4.918 26.413 30.662 1.00 0.00 C ATOM 1005 C ASN A 61 6.011 26.755 29.647 1.00 0.00 C ATOM 1006 O ASN A 61 7.193 26.526 29.901 1.00 0.00 O ATOM 1007 CB ASN A 61 3.982 25.386 30.020 1.00 0.00 C ATOM 1008 CG ASN A 61 3.896 24.117 30.870 1.00 0.00 C ATOM 1009 OD1 ASN A 61 3.773 24.158 32.082 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.969 22.991 30.167 1.00 0.00 N ATOM 0 H ASN A 61 3.184 27.539 31.000 1.00 0.00 H new ATOM 0 HA ASN A 61 5.344 25.993 31.573 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.988 25.818 29.903 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.341 25.136 29.022 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.922 22.089 30.642 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.072 23.029 29.153 1.00 0.00 H new ATOM 1017 N PRO A 62 5.567 27.312 28.488 1.00 0.00 N ATOM 1018 CA PRO A 62 6.493 27.687 27.435 1.00 0.00 C ATOM 1019 C PRO A 62 7.250 28.966 27.799 1.00 0.00 C ATOM 1020 O PRO A 62 8.207 29.340 27.123 1.00 0.00 O ATOM 1021 CB PRO A 62 5.634 27.839 26.191 1.00 0.00 C ATOM 1022 CG PRO A 62 4.206 27.999 26.687 1.00 0.00 C ATOM 1023 CD PRO A 62 4.175 27.597 28.152 1.00 0.00 C ATOM 0 HA PRO A 62 7.272 26.942 27.276 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.944 28.705 25.606 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.727 26.967 25.543 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.873 29.030 26.567 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.527 27.375 26.105 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.773 28.397 28.774 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.543 26.723 28.310 1.00 0.00 H new ATOM 1031 N ILE A 63 6.791 29.602 28.867 1.00 0.00 N ATOM 1032 CA ILE A 63 7.412 30.831 29.330 1.00 0.00 C ATOM 1033 C ILE A 63 7.856 31.659 28.122 1.00 0.00 C ATOM 1034 O ILE A 63 8.988 31.530 27.658 1.00 0.00 O ATOM 1035 CB ILE A 63 8.543 30.523 30.313 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.087 31.807 30.943 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.646 29.704 29.641 1.00 0.00 C ATOM 1038 CD1 ILE A 63 7.947 32.739 31.358 1.00 0.00 C ATOM 0 H ILE A 63 5.996 29.289 29.425 1.00 0.00 H new ATOM 0 HA ILE A 63 6.694 31.435 29.885 1.00 0.00 H new ATOM 0 HB ILE A 63 8.136 29.914 31.121 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.695 31.560 31.813 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.739 32.317 30.233 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.437 29.499 30.362 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.232 28.763 29.280 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.056 30.266 28.802 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.361 33.644 31.803 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.356 33.003 30.481 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.311 32.235 32.086 1.00 0.00 H new ATOM 1050 N ASP A 64 6.941 32.492 27.648 1.00 0.00 N ATOM 1051 CA ASP A 64 7.224 33.341 26.503 1.00 0.00 C ATOM 1052 C ASP A 64 6.191 34.468 26.442 1.00 0.00 C ATOM 1053 O ASP A 64 5.004 34.218 26.242 1.00 0.00 O ATOM 1054 CB ASP A 64 7.139 32.550 25.196 1.00 0.00 C ATOM 1055 CG ASP A 64 8.444 31.885 24.756 1.00 0.00 C ATOM 1056 OD1 ASP A 64 9.393 32.559 24.331 1.00 0.00 O ATOM 1057 OD2 ASP A 64 8.464 30.600 24.865 1.00 0.00 O ATOM 0 H ASP A 64 6.003 32.597 28.036 1.00 0.00 H new ATOM 0 HA ASP A 64 8.232 33.738 26.619 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.375 31.780 25.304 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.806 33.221 24.404 1.00 0.00 H new ATOM 1063 N TYR A 65 6.681 35.687 26.618 1.00 0.00 N ATOM 1064 CA TYR A 65 5.816 36.854 26.585 1.00 0.00 C ATOM 1065 C TYR A 65 5.133 36.993 25.223 1.00 0.00 C ATOM 1066 O TYR A 65 4.197 37.774 25.071 1.00 0.00 O ATOM 1067 CB TYR A 65 6.727 38.061 26.812 1.00 0.00 C ATOM 1068 CG TYR A 65 6.019 39.268 27.431 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.147 40.021 26.672 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.252 39.602 28.750 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.481 41.156 27.255 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.585 40.737 29.333 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.733 41.458 28.557 1.00 0.00 C ATOM 1074 OH TYR A 65 4.103 42.531 29.108 1.00 0.00 O ATOM 0 H TYR A 65 7.666 35.891 26.784 1.00 0.00 H new ATOM 0 HA TYR A 65 5.034 36.773 27.340 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.551 37.764 27.461 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.163 38.358 25.858 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.964 39.759 25.640 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.934 39.012 29.344 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.797 41.754 26.672 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.758 41.009 30.364 1.00 0.00 H new ATOM 0 HH TYR A 65 4.099 42.442 30.084 1.00 0.00 H new ATOM 1084 N SER A 66 5.631 36.221 24.267 1.00 0.00 N ATOM 1085 CA SER A 66 5.081 36.248 22.922 1.00 0.00 C ATOM 1086 C SER A 66 3.606 35.845 22.951 1.00 0.00 C ATOM 1087 O SER A 66 2.839 36.217 22.064 1.00 0.00 O ATOM 1088 CB SER A 66 5.865 35.326 21.987 1.00 0.00 C ATOM 1089 OG SER A 66 5.468 33.964 22.125 1.00 0.00 O ATOM 0 H SER A 66 6.409 35.574 24.397 1.00 0.00 H new ATOM 0 HA SER A 66 5.165 37.265 22.539 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.716 35.644 20.955 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.931 35.416 22.198 1.00 0.00 H new ATOM 0 HG SER A 66 5.990 33.407 21.510 1.00 0.00 H new ATOM 1095 N LEU A 67 3.252 35.090 23.980 1.00 0.00 N ATOM 1096 CA LEU A 67 1.882 34.632 24.137 1.00 0.00 C ATOM 1097 C LEU A 67 1.111 35.630 25.002 1.00 0.00 C ATOM 1098 O LEU A 67 -0.119 35.642 24.997 1.00 0.00 O ATOM 1099 CB LEU A 67 1.854 33.201 24.677 1.00 0.00 C ATOM 1100 CG LEU A 67 0.470 32.558 24.801 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.586 31.048 25.025 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.354 33.238 25.895 1.00 0.00 C ATOM 0 H LEU A 67 3.891 34.784 24.714 1.00 0.00 H new ATOM 0 HA LEU A 67 1.380 34.593 23.170 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.466 32.576 24.027 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.325 33.195 25.660 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.061 32.705 23.860 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.411 30.615 25.110 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.108 30.594 24.183 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.143 30.858 25.942 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.332 32.762 25.962 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.162 33.144 26.851 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.480 34.293 25.653 1.00 0.00 H new ATOM 1114 N LEU A 68 1.865 36.444 25.725 1.00 0.00 N ATOM 1115 CA LEU A 68 1.268 37.445 26.593 1.00 0.00 C ATOM 1116 C LEU A 68 0.519 38.473 25.741 1.00 0.00 C ATOM 1117 O LEU A 68 -0.692 38.633 25.879 1.00 0.00 O ATOM 1118 CB LEU A 68 2.327 38.061 27.510 1.00 0.00 C ATOM 1119 CG LEU A 68 2.343 37.552 28.953 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.287 38.389 29.818 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.928 37.501 29.532 1.00 0.00 C ATOM 0 H LEU A 68 2.885 36.431 25.728 1.00 0.00 H new ATOM 0 HA LEU A 68 0.535 36.985 27.256 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.308 37.881 27.071 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.180 39.141 27.528 1.00 0.00 H new ATOM 0 HG LEU A 68 2.727 36.532 28.952 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.280 38.007 30.839 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.298 38.330 29.415 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.956 39.428 29.817 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.968 37.136 30.558 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.493 38.500 29.519 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.313 36.830 28.932 1.00 0.00 H new ATOM 1133 N ALA A 69 1.272 39.141 24.881 1.00 0.00 N ATOM 1134 CA ALA A 69 0.696 40.149 24.007 1.00 0.00 C ATOM 1135 C ALA A 69 -0.487 39.543 23.249 1.00 0.00 C ATOM 1136 O ALA A 69 -1.350 40.268 22.758 1.00 0.00 O ATOM 1137 CB ALA A 69 1.776 40.688 23.067 1.00 0.00 C ATOM 0 H ALA A 69 2.277 39.004 24.770 1.00 0.00 H new ATOM 0 HA ALA A 69 0.320 40.991 24.588 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.344 41.444 22.412 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.580 41.133 23.654 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.175 39.872 22.465 1.00 0.00 H new ATOM 1143 N SER A 70 -0.488 38.220 23.177 1.00 0.00 N ATOM 1144 CA SER A 70 -1.551 37.509 22.487 1.00 0.00 C ATOM 1145 C SER A 70 -2.832 37.545 23.323 1.00 0.00 C ATOM 1146 O SER A 70 -3.913 37.806 22.797 1.00 0.00 O ATOM 1147 CB SER A 70 -1.147 36.062 22.197 1.00 0.00 C ATOM 1148 OG SER A 70 -2.217 35.151 22.434 1.00 0.00 O ATOM 0 H SER A 70 0.230 37.622 23.585 1.00 0.00 H new ATOM 0 HA SER A 70 -1.733 38.005 21.534 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.822 35.977 21.160 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.295 35.791 22.821 1.00 0.00 H new ATOM 0 HG SER A 70 -1.920 34.238 22.236 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.669 37.279 24.611 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.800 37.277 25.524 1.00 0.00 C ATOM 1156 C LEU A 71 -4.553 38.603 25.397 1.00 0.00 C ATOM 1157 O LEU A 71 -5.768 38.651 25.583 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.338 36.966 26.948 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.868 35.666 27.556 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.765 34.610 27.645 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.525 35.924 28.914 1.00 0.00 C ATOM 0 H LEU A 71 -1.771 37.063 25.044 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.501 36.485 25.262 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.249 36.930 26.956 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.634 37.793 27.594 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.638 35.270 26.894 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.170 33.697 28.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.383 34.397 26.646 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.954 34.982 28.271 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.893 34.984 29.325 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.793 36.356 29.596 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.358 36.616 28.790 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.800 39.647 25.083 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.382 40.969 24.930 1.00 0.00 C ATOM 1175 C ILE A 72 -5.456 40.927 23.841 1.00 0.00 C ATOM 1176 O ILE A 72 -5.166 40.603 22.690 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.289 42.009 24.676 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.241 41.987 25.791 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.891 43.402 24.482 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.318 43.204 25.699 1.00 0.00 C ATOM 0 H ILE A 72 -2.792 39.604 24.930 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.875 41.277 25.852 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.778 41.748 23.749 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.737 41.975 26.761 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.651 41.073 25.723 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.092 44.122 24.303 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.567 43.390 23.627 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.443 43.688 25.377 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.583 43.164 26.503 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.805 43.200 24.737 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.908 44.116 25.792 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.706 41.267 24.253 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.825 41.272 23.326 1.00 0.00 C ATOM 1194 C PRO A 73 -7.763 42.486 22.397 1.00 0.00 C ATOM 1195 O PRO A 73 -8.757 43.189 22.223 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.065 41.258 24.205 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.606 41.716 25.580 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.088 41.656 25.608 1.00 0.00 C ATOM 0 HA PRO A 73 -7.819 40.413 22.656 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.833 41.922 23.808 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.500 40.260 24.251 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.952 42.730 25.780 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.028 41.077 26.356 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.659 42.621 25.879 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.734 40.932 26.342 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.586 42.694 21.826 1.00 0.00 N ATOM 1207 CA LYS A 74 -6.382 43.811 20.920 1.00 0.00 C ATOM 1208 C LYS A 74 -7.395 44.913 21.237 1.00 0.00 C ATOM 1209 O LYS A 74 -8.488 44.937 20.671 1.00 0.00 O ATOM 1210 CB LYS A 74 -6.425 43.337 19.465 1.00 0.00 C ATOM 1211 CG LYS A 74 -7.683 42.509 19.196 1.00 0.00 C ATOM 1212 CD LYS A 74 -7.782 42.128 17.717 1.00 0.00 C ATOM 1213 CE LYS A 74 -8.599 43.161 16.939 1.00 0.00 C ATOM 1214 NZ LYS A 74 -7.705 44.113 16.245 1.00 0.00 N ATOM 0 H LYS A 74 -5.764 42.108 21.973 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.390 44.239 21.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.402 44.198 18.797 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.539 42.741 19.247 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.667 41.607 19.807 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.566 43.077 19.489 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.782 42.053 17.289 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.245 41.146 17.621 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.237 42.657 16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.257 43.701 17.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.083 45.077 16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.756 44.069 16.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.647 43.863 15.237 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.998 45.795 22.141 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.858 46.896 22.541 1.00 0.00 C ATOM 1229 C GLY A 75 -7.908 47.028 24.064 1.00 0.00 C ATOM 1230 O GLY A 75 -8.528 47.950 24.591 1.00 0.00 O ATOM 0 H GLY A 75 -6.092 45.770 22.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.492 47.825 22.104 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.864 46.736 22.153 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.247 46.092 24.729 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.208 46.091 26.181 1.00 0.00 C ATOM 1236 C TYR A 76 -7.126 47.518 26.728 1.00 0.00 C ATOM 1237 O TYR A 76 -6.548 48.398 26.092 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.936 45.335 26.569 1.00 0.00 C ATOM 1239 CG TYR A 76 -5.902 44.885 28.031 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -6.619 43.775 28.429 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -5.153 45.589 28.952 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -6.587 43.352 29.805 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -5.119 45.165 30.328 1.00 0.00 C ATOM 1244 CZ TYR A 76 -5.838 44.068 30.687 1.00 0.00 C ATOM 1245 OH TYR A 76 -5.807 43.667 31.986 1.00 0.00 O ATOM 0 H TYR A 76 -6.734 45.329 24.288 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.108 45.631 26.589 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.836 44.459 25.927 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.073 45.972 26.375 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.204 43.223 27.708 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.592 46.458 28.641 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.145 42.486 30.130 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.536 45.706 31.058 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.232 44.270 32.501 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.729 47.708 27.932 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.729 49.013 28.572 1.00 0.00 C ATOM 1257 C PRO A 77 -6.357 49.331 29.169 1.00 0.00 C ATOM 1258 O PRO A 77 -5.381 48.634 28.896 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.829 48.938 29.618 1.00 0.00 C ATOM 1260 CG PRO A 77 -9.089 47.458 29.844 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.423 46.690 28.715 1.00 0.00 C ATOM 0 HA PRO A 77 -7.919 49.825 27.871 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.522 49.426 30.543 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.731 49.445 29.274 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.689 47.143 30.808 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.160 47.257 29.862 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.727 45.944 29.100 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.158 46.158 28.110 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.326 50.385 29.972 1.00 0.00 N ATOM 1270 CA GLY A 78 -5.090 50.804 30.610 1.00 0.00 C ATOM 1271 C GLY A 78 -3.983 51.014 29.575 1.00 0.00 C ATOM 1272 O GLY A 78 -4.183 50.767 28.387 1.00 0.00 O ATOM 0 H GLY A 78 -7.138 50.961 30.195 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.257 51.729 31.162 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.777 50.052 31.335 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.838 51.467 30.064 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.698 51.712 29.196 1.00 0.00 C ATOM 1278 C ARG A 79 -0.719 50.538 29.261 1.00 0.00 C ATOM 1279 O ARG A 79 0.442 50.672 28.876 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.970 52.997 29.594 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.953 54.046 30.117 1.00 0.00 C ATOM 1282 CD ARG A 79 -1.218 55.305 30.582 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.133 56.280 29.472 1.00 0.00 N ATOM 1284 CZ ARG A 79 -1.019 57.614 29.644 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -0.975 58.144 30.885 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -0.949 58.393 28.581 1.00 0.00 N ATOM 0 H ARG A 79 -2.675 51.671 31.050 1.00 0.00 H new ATOM 0 HA ARG A 79 -2.073 51.820 28.178 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.227 52.776 30.361 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.432 53.395 28.734 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.665 54.305 29.333 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.528 53.630 30.944 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.741 55.750 31.429 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.217 55.045 30.927 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.162 55.922 28.517 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.028 57.535 31.702 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.889 59.153 31.006 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.981 57.985 27.647 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.863 59.403 28.694 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.223 49.415 29.750 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.408 48.218 29.869 1.00 0.00 C ATOM 1301 C VAL A 80 0.107 47.816 28.485 1.00 0.00 C ATOM 1302 O VAL A 80 1.290 47.520 28.321 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.206 47.108 30.555 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.339 45.885 29.645 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.574 46.727 31.896 1.00 0.00 C ATOM 0 H VAL A 80 -2.186 49.309 30.069 1.00 0.00 H new ATOM 0 HA VAL A 80 0.462 48.410 30.496 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.208 47.489 30.752 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.911 45.111 30.157 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.854 46.169 28.727 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.348 45.503 29.402 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.161 45.936 32.363 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.444 46.375 31.731 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.555 47.599 32.550 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.807 47.820 27.526 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.459 47.460 26.162 1.00 0.00 C ATOM 1317 C VAL A 81 0.547 48.472 25.611 1.00 0.00 C ATOM 1318 O VAL A 81 1.486 48.100 24.909 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.727 47.354 25.310 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.403 46.836 23.907 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.773 46.471 25.992 1.00 0.00 C ATOM 0 H VAL A 81 -1.787 48.066 27.666 1.00 0.00 H new ATOM 0 HA VAL A 81 0.019 46.481 26.136 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.147 48.355 25.209 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.321 46.770 23.323 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.710 47.520 23.418 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.948 45.848 23.980 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.664 46.412 25.366 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.365 45.471 26.138 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.037 46.900 26.959 1.00 0.00 H new ATOM 1331 N GLU A 82 0.318 49.732 25.951 1.00 0.00 N ATOM 1332 CA GLU A 82 1.192 50.801 25.500 1.00 0.00 C ATOM 1333 C GLU A 82 2.639 50.508 25.904 1.00 0.00 C ATOM 1334 O GLU A 82 3.574 50.962 25.247 1.00 0.00 O ATOM 1335 CB GLU A 82 0.734 52.154 26.048 1.00 0.00 C ATOM 1336 CG GLU A 82 -0.449 52.698 25.243 1.00 0.00 C ATOM 1337 CD GLU A 82 0.009 53.204 23.873 1.00 0.00 C ATOM 1338 OE1 GLU A 82 0.244 52.398 22.961 1.00 0.00 O ATOM 1339 OE2 GLU A 82 0.116 54.486 23.773 1.00 0.00 O ATOM 0 H GLU A 82 -0.461 50.037 26.534 1.00 0.00 H new ATOM 0 HA GLU A 82 1.140 50.851 24.412 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.449 52.049 27.095 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.560 52.864 26.012 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.197 51.916 25.115 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.927 53.509 25.793 1.00 0.00 H new ATOM 1347 N ILE A 83 2.777 49.750 26.983 1.00 0.00 N ATOM 1348 CA ILE A 83 4.094 49.393 27.482 1.00 0.00 C ATOM 1349 C ILE A 83 4.588 48.143 26.751 1.00 0.00 C ATOM 1350 O ILE A 83 5.768 48.041 26.416 1.00 0.00 O ATOM 1351 CB ILE A 83 4.068 49.245 29.004 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.356 50.430 29.659 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.478 49.045 29.560 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.654 50.004 30.950 1.00 0.00 C ATOM 0 H ILE A 83 1.999 49.374 27.525 1.00 0.00 H new ATOM 0 HA ILE A 83 4.809 50.189 27.275 1.00 0.00 H new ATOM 0 HB ILE A 83 3.496 48.350 29.250 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.078 51.217 29.876 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.627 50.849 28.966 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.430 48.943 30.644 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.915 48.144 29.129 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.096 49.906 29.304 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.156 50.866 31.395 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.916 49.234 30.726 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.389 49.608 31.651 1.00 0.00 H new ATOM 1366 N ILE A 84 3.662 47.223 26.524 1.00 0.00 N ATOM 1367 CA ILE A 84 3.990 45.984 25.839 1.00 0.00 C ATOM 1368 C ILE A 84 4.287 46.283 24.368 1.00 0.00 C ATOM 1369 O ILE A 84 5.176 45.674 23.775 1.00 0.00 O ATOM 1370 CB ILE A 84 2.881 44.949 26.044 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.624 44.709 27.533 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.200 43.650 25.302 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.481 43.712 27.738 1.00 0.00 C ATOM 0 H ILE A 84 2.685 47.311 26.802 1.00 0.00 H new ATOM 0 HA ILE A 84 4.891 45.541 26.263 1.00 0.00 H new ATOM 0 HB ILE A 84 1.960 45.346 25.618 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.530 44.331 28.006 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.380 45.653 28.020 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.396 42.932 25.464 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.295 43.854 24.235 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.137 43.237 25.677 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.319 43.559 28.805 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.570 44.104 27.285 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.739 42.762 27.270 1.00 0.00 H new ATOM 1385 N ASN A 85 3.527 47.220 23.823 1.00 0.00 N ATOM 1386 CA ASN A 85 3.698 47.607 22.433 1.00 0.00 C ATOM 1387 C ASN A 85 5.163 47.974 22.187 1.00 0.00 C ATOM 1388 O ASN A 85 5.669 47.813 21.077 1.00 0.00 O ATOM 1389 CB ASN A 85 2.841 48.828 22.091 1.00 0.00 C ATOM 1390 CG ASN A 85 1.498 48.406 21.494 1.00 0.00 C ATOM 1391 OD1 ASN A 85 1.389 47.427 20.774 1.00 0.00 O ATOM 1392 ND2 ASN A 85 0.483 49.195 21.834 1.00 0.00 N ATOM 0 H ASN A 85 2.791 47.723 24.318 1.00 0.00 H new ATOM 0 HA ASN A 85 3.393 46.767 21.809 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.673 49.422 22.989 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.374 49.464 21.384 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.456 48.996 21.488 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.643 49.999 22.441 1.00 0.00 H new ATOM 1399 N ILE A 86 5.803 48.461 23.240 1.00 0.00 N ATOM 1400 CA ILE A 86 7.200 48.852 23.152 1.00 0.00 C ATOM 1401 C ILE A 86 8.067 47.600 23.018 1.00 0.00 C ATOM 1402 O ILE A 86 9.194 47.671 22.529 1.00 0.00 O ATOM 1403 CB ILE A 86 7.582 49.741 24.337 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.066 51.167 24.141 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.092 49.707 24.583 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.813 51.849 25.488 1.00 0.00 C ATOM 0 H ILE A 86 5.380 48.594 24.159 1.00 0.00 H new ATOM 0 HA ILE A 86 7.372 49.456 22.261 1.00 0.00 H new ATOM 0 HB ILE A 86 7.101 49.344 25.231 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.791 51.744 23.568 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.144 51.147 23.560 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.337 50.347 25.431 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.403 48.685 24.799 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.613 50.065 23.695 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.447 52.862 25.320 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.069 51.283 26.049 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.743 51.889 26.056 1.00 0.00 H new ATOM 1418 N LEU A 87 7.510 46.482 23.458 1.00 0.00 N ATOM 1419 CA LEU A 87 8.220 45.215 23.393 1.00 0.00 C ATOM 1420 C LEU A 87 7.980 44.571 22.025 1.00 0.00 C ATOM 1421 O LEU A 87 8.909 44.052 21.409 1.00 0.00 O ATOM 1422 CB LEU A 87 7.828 44.321 24.571 1.00 0.00 C ATOM 1423 CG LEU A 87 7.678 45.020 25.924 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.149 44.053 26.985 1.00 0.00 C ATOM 1425 CD2 LEU A 87 8.993 45.676 26.351 1.00 0.00 C ATOM 0 H LEU A 87 6.575 46.426 23.861 1.00 0.00 H new ATOM 0 HA LEU A 87 9.294 45.374 23.487 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.884 43.831 24.331 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.578 43.536 24.671 1.00 0.00 H new ATOM 0 HG LEU A 87 6.941 45.816 25.817 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.052 44.575 27.937 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.174 43.674 26.678 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.844 43.220 27.097 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.859 46.166 27.316 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.769 44.915 26.435 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.289 46.415 25.607 1.00 0.00 H new ATOM 1437 N VAL A 88 6.729 44.627 21.592 1.00 0.00 N ATOM 1438 CA VAL A 88 6.356 44.056 20.309 1.00 0.00 C ATOM 1439 C VAL A 88 7.086 44.802 19.191 1.00 0.00 C ATOM 1440 O VAL A 88 7.680 44.182 18.311 1.00 0.00 O ATOM 1441 CB VAL A 88 4.834 44.080 20.148 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.438 44.006 18.673 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.181 42.951 20.950 1.00 0.00 C ATOM 0 H VAL A 88 5.961 45.059 22.106 1.00 0.00 H new ATOM 0 HA VAL A 88 6.660 43.011 20.254 1.00 0.00 H new ATOM 0 HB VAL A 88 4.469 45.027 20.545 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.352 44.025 18.587 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.859 44.858 18.140 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.821 43.082 18.239 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.100 42.990 20.819 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.555 41.990 20.597 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.423 43.068 22.006 1.00 0.00 H new ATOM 1453 N LYS A 89 7.019 46.123 19.263 1.00 0.00 N ATOM 1454 CA LYS A 89 7.668 46.961 18.268 1.00 0.00 C ATOM 1455 C LYS A 89 9.147 46.582 18.175 1.00 0.00 C ATOM 1456 O LYS A 89 9.796 46.844 17.162 1.00 0.00 O ATOM 1457 CB LYS A 89 7.431 48.441 18.577 1.00 0.00 C ATOM 1458 CG LYS A 89 7.306 49.256 17.289 1.00 0.00 C ATOM 1459 CD LYS A 89 6.294 50.392 17.453 1.00 0.00 C ATOM 1460 CE LYS A 89 4.887 49.934 17.066 1.00 0.00 C ATOM 1461 NZ LYS A 89 4.260 49.188 18.180 1.00 0.00 N ATOM 0 H LYS A 89 6.525 46.634 19.995 1.00 0.00 H new ATOM 0 HA LYS A 89 7.232 46.791 17.284 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.524 48.552 19.171 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.254 48.827 19.178 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.279 49.667 17.019 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.997 48.605 16.471 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.296 50.739 18.486 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.588 51.238 16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.275 50.798 16.809 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.935 49.302 16.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.233 49.135 18.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.655 48.227 18.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.452 49.678 19.077 1.00 0.00 H new ATOM 1474 N ASN A 90 9.638 45.972 19.243 1.00 0.00 N ATOM 1475 CA ASN A 90 11.029 45.555 19.294 1.00 0.00 C ATOM 1476 C ASN A 90 11.146 44.121 18.776 1.00 0.00 C ATOM 1477 O ASN A 90 12.135 43.440 19.041 1.00 0.00 O ATOM 1478 CB ASN A 90 11.561 45.585 20.729 1.00 0.00 C ATOM 1479 CG ASN A 90 13.076 45.379 20.755 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.579 44.317 21.085 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.775 46.449 20.391 1.00 0.00 N ATOM 0 H ASN A 90 9.097 45.756 20.081 1.00 0.00 H new ATOM 0 HA ASN A 90 11.610 46.243 18.680 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.312 46.539 21.193 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.074 44.807 21.318 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.794 46.412 20.376 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.292 47.308 20.126 1.00 0.00 H new