USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 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 -44:sc= 0.795 USER MOD Single : A 22 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -5.85! C(o=-5.8!,f=-4.3!) USER MOD Single : A 26 ASN : amide:sc= -2.95! C(o=-3!,f=-4.1!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.231 K(o=-0.23,f=-1!) USER MOD Single : A 45 GLN : amide:sc= -0.75 K(o=-0.75,f=-2.4) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.0632 (180deg=-0.436) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.0676 USER MOD Single : A 61 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.12) USER MOD Single : A 65 TYR OH : rot 109:sc= -0.671! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -5.34! C(o=-5.3!,f=-12!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.448 36.991 36.723 1.00 0.00 N ATOM 313 CA THR A 21 13.009 38.182 36.109 1.00 0.00 C ATOM 314 C THR A 21 13.566 37.856 34.721 1.00 0.00 C ATOM 315 O THR A 21 14.745 38.080 34.454 1.00 0.00 O ATOM 316 CB THR A 21 14.057 38.758 37.064 1.00 0.00 C ATOM 317 OG1 THR A 21 14.667 37.608 37.643 1.00 0.00 O ATOM 318 CG2 THR A 21 13.427 39.485 38.254 1.00 0.00 C ATOM 0 HA THR A 21 12.243 38.941 35.947 1.00 0.00 H new ATOM 0 HB THR A 21 14.705 39.445 36.521 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.974 36.963 37.896 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.214 39.874 38.900 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.813 40.310 37.893 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.805 38.789 38.818 1.00 0.00 H new ATOM 326 N HIS A 22 12.692 37.330 33.876 1.00 0.00 N ATOM 327 CA HIS A 22 13.081 36.971 32.524 1.00 0.00 C ATOM 328 C HIS A 22 12.051 37.514 31.531 1.00 0.00 C ATOM 329 O HIS A 22 12.415 38.092 30.508 1.00 0.00 O ATOM 330 CB HIS A 22 13.283 35.459 32.400 1.00 0.00 C ATOM 331 CG HIS A 22 13.864 35.023 31.077 1.00 0.00 C ATOM 332 ND1 HIS A 22 13.921 33.697 30.683 1.00 0.00 N ATOM 333 CD2 HIS A 22 14.412 35.750 30.060 1.00 0.00 C ATOM 334 CE1 HIS A 22 14.481 33.641 29.483 1.00 0.00 C ATOM 335 NE2 HIS A 22 14.785 34.914 29.100 1.00 0.00 N ATOM 0 H HIS A 22 11.715 37.144 34.102 1.00 0.00 H new ATOM 0 HA HIS A 22 14.041 37.429 32.285 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.941 35.124 33.202 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.324 34.962 32.545 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.523 36.824 30.040 1.00 0.00 H new ATOM 0 HE1 HIS A 22 14.664 32.745 28.909 1.00 0.00 H new ATOM 0 HE2 HIS A 22 15.227 35.180 28.220 1.00 0.00 H new ATOM 343 N HIS A 23 10.787 37.310 31.869 1.00 0.00 N ATOM 344 CA HIS A 23 9.701 37.773 31.021 1.00 0.00 C ATOM 345 C HIS A 23 9.122 39.069 31.589 1.00 0.00 C ATOM 346 O HIS A 23 8.732 39.961 30.838 1.00 0.00 O ATOM 347 CB HIS A 23 8.646 36.678 30.843 1.00 0.00 C ATOM 348 CG HIS A 23 7.539 36.721 31.869 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.151 35.612 32.599 1.00 0.00 N ATOM 350 CD2 HIS A 23 6.743 37.750 32.280 1.00 0.00 C ATOM 351 CE1 HIS A 23 6.164 35.968 33.408 1.00 0.00 C ATOM 352 NE2 HIS A 23 5.913 37.293 33.208 1.00 0.00 N ATOM 0 H HIS A 23 10.490 36.830 32.719 1.00 0.00 H new ATOM 0 HA HIS A 23 10.082 37.994 30.024 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.209 36.766 29.848 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.135 35.705 30.891 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.782 38.765 31.912 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.649 35.322 34.104 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.203 37.843 33.693 1.00 0.00 H new ATOM 360 N TRP A 24 9.084 39.132 32.913 1.00 0.00 N ATOM 361 CA TRP A 24 8.557 40.305 33.591 1.00 0.00 C ATOM 362 C TRP A 24 9.609 41.412 33.504 1.00 0.00 C ATOM 363 O TRP A 24 9.287 42.555 33.183 1.00 0.00 O ATOM 364 CB TRP A 24 8.158 39.971 35.030 1.00 0.00 C ATOM 365 CG TRP A 24 7.788 41.194 35.871 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.402 41.656 36.969 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.687 42.098 35.638 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.781 42.787 37.459 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.705 43.064 36.623 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.710 42.099 34.628 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.770 44.103 36.695 1.00 0.00 C ATOM 372 CZ3 TRP A 24 4.782 43.144 34.713 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.786 44.125 35.698 1.00 0.00 C ATOM 0 H TRP A 24 9.409 38.391 33.533 1.00 0.00 H new ATOM 0 HA TRP A 24 7.644 40.654 33.109 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.311 39.285 35.012 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.983 39.446 35.513 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.274 41.200 37.415 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.060 43.321 38.282 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.677 41.353 33.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.805 44.847 37.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.009 43.191 33.960 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.034 44.900 35.695 1.00 0.00 H new ATOM 384 N LEU A 25 10.846 41.035 33.794 1.00 0.00 N ATOM 385 CA LEU A 25 11.947 41.981 33.753 1.00 0.00 C ATOM 386 C LEU A 25 11.961 42.681 32.392 1.00 0.00 C ATOM 387 O LEU A 25 12.553 43.749 32.245 1.00 0.00 O ATOM 388 CB LEU A 25 13.264 41.287 34.100 1.00 0.00 C ATOM 389 CG LEU A 25 14.393 42.197 34.590 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.857 43.278 35.532 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.515 41.380 35.234 1.00 0.00 C ATOM 0 H LEU A 25 11.110 40.086 34.059 1.00 0.00 H new ATOM 0 HA LEU A 25 11.813 42.754 34.509 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.067 40.540 34.869 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.613 40.751 33.217 1.00 0.00 H new ATOM 0 HG LEU A 25 14.820 42.706 33.726 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.680 43.911 35.865 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.121 43.887 35.006 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.388 42.808 36.396 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.305 42.050 35.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.119 40.825 36.085 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.922 40.681 34.503 1.00 0.00 H new ATOM 403 N ASN A 26 11.301 42.051 31.432 1.00 0.00 N ATOM 404 CA ASN A 26 11.230 42.599 30.088 1.00 0.00 C ATOM 405 C ASN A 26 10.218 43.747 30.063 1.00 0.00 C ATOM 406 O ASN A 26 10.363 44.690 29.286 1.00 0.00 O ATOM 407 CB ASN A 26 10.769 41.540 29.084 1.00 0.00 C ATOM 408 CG ASN A 26 10.759 42.101 27.661 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.506 43.002 27.316 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.874 41.519 26.856 1.00 0.00 N ATOM 0 H ASN A 26 10.810 41.166 31.558 1.00 0.00 H new ATOM 0 HA ASN A 26 12.226 42.947 29.813 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.430 40.675 29.133 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.770 41.193 29.349 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.791 41.822 25.886 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.279 40.770 27.209 1.00 0.00 H new ATOM 417 N PHE A 27 9.217 43.629 30.921 1.00 0.00 N ATOM 418 CA PHE A 27 8.181 44.645 31.007 1.00 0.00 C ATOM 419 C PHE A 27 8.602 45.778 31.946 1.00 0.00 C ATOM 420 O PHE A 27 8.432 46.953 31.621 1.00 0.00 O ATOM 421 CB PHE A 27 6.934 43.965 31.575 1.00 0.00 C ATOM 422 CG PHE A 27 5.633 44.723 31.302 1.00 0.00 C ATOM 423 CD1 PHE A 27 5.247 44.969 30.021 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.864 45.149 32.338 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.040 45.672 29.766 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.656 45.852 32.084 1.00 0.00 C ATOM 427 CZ PHE A 27 3.270 46.099 30.803 1.00 0.00 C ATOM 0 H PHE A 27 9.100 42.845 31.563 1.00 0.00 H new ATOM 0 HA PHE A 27 7.997 45.074 30.022 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.854 42.963 31.152 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.055 43.848 32.652 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.859 44.630 29.198 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.171 44.953 33.355 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.733 45.868 28.749 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.044 46.190 32.907 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.352 46.634 30.609 1.00 0.00 H new ATOM 437 N LEU A 28 9.143 45.387 33.089 1.00 0.00 N ATOM 438 CA LEU A 28 9.589 46.355 34.077 1.00 0.00 C ATOM 439 C LEU A 28 10.552 47.343 33.417 1.00 0.00 C ATOM 440 O LEU A 28 10.794 48.427 33.946 1.00 0.00 O ATOM 441 CB LEU A 28 10.179 45.644 35.296 1.00 0.00 C ATOM 442 CG LEU A 28 10.224 46.458 36.591 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.937 47.265 36.776 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.515 45.560 37.794 1.00 0.00 C ATOM 0 H LEU A 28 9.283 44.412 33.354 1.00 0.00 H new ATOM 0 HA LEU A 28 8.744 46.933 34.452 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.600 44.739 35.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.194 45.330 35.052 1.00 0.00 H new ATOM 0 HG LEU A 28 11.044 47.172 36.517 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.995 47.834 37.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.813 47.950 35.937 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.085 46.586 36.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.541 46.164 38.701 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.733 44.806 37.883 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.478 45.069 37.657 1.00 0.00 H new ATOM 456 N GLN A 29 11.074 46.935 32.269 1.00 0.00 N ATOM 457 CA GLN A 29 12.004 47.772 31.530 1.00 0.00 C ATOM 458 C GLN A 29 11.242 48.781 30.670 1.00 0.00 C ATOM 459 O GLN A 29 11.405 49.989 30.833 1.00 0.00 O ATOM 460 CB GLN A 29 12.946 46.921 30.676 1.00 0.00 C ATOM 461 CG GLN A 29 14.377 46.979 31.213 1.00 0.00 C ATOM 462 CD GLN A 29 15.225 45.841 30.640 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.168 44.705 31.084 1.00 0.00 O ATOM 464 NE2 GLN A 29 16.010 46.207 29.631 1.00 0.00 N ATOM 0 H GLN A 29 10.870 46.036 31.833 1.00 0.00 H new ATOM 0 HA GLN A 29 12.614 48.324 32.245 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.599 45.888 30.666 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.926 47.274 29.645 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.827 47.938 30.956 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.364 46.915 32.301 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.009 47.175 29.309 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.613 45.520 29.179 1.00 0.00 H new ATOM 473 N ALA A 30 10.427 48.248 29.771 1.00 0.00 N ATOM 474 CA ALA A 30 9.640 49.088 28.884 1.00 0.00 C ATOM 475 C ALA A 30 8.748 50.009 29.719 1.00 0.00 C ATOM 476 O ALA A 30 8.604 51.189 29.406 1.00 0.00 O ATOM 477 CB ALA A 30 8.835 48.206 27.928 1.00 0.00 C ATOM 0 H ALA A 30 10.295 47.245 29.638 1.00 0.00 H new ATOM 0 HA ALA A 30 10.289 49.720 28.277 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.244 48.835 27.262 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.516 47.593 27.338 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.170 47.560 28.502 1.00 0.00 H new ATOM 483 N ALA A 31 8.174 49.434 30.765 1.00 0.00 N ATOM 484 CA ALA A 31 7.300 50.188 31.647 1.00 0.00 C ATOM 485 C ALA A 31 8.093 51.329 32.290 1.00 0.00 C ATOM 486 O ALA A 31 7.511 52.308 32.757 1.00 0.00 O ATOM 487 CB ALA A 31 6.687 49.247 32.686 1.00 0.00 C ATOM 0 H ALA A 31 8.297 48.455 31.022 1.00 0.00 H new ATOM 0 HA ALA A 31 6.479 50.632 31.085 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.031 49.813 33.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.111 48.472 32.180 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.482 48.784 33.272 1.00 0.00 H new ATOM 493 N TYR A 32 9.407 51.166 32.291 1.00 0.00 N ATOM 494 CA TYR A 32 10.285 52.170 32.868 1.00 0.00 C ATOM 495 C TYR A 32 10.671 53.223 31.827 1.00 0.00 C ATOM 496 O TYR A 32 10.933 54.375 32.173 1.00 0.00 O ATOM 497 CB TYR A 32 11.545 51.423 33.313 1.00 0.00 C ATOM 498 CG TYR A 32 12.021 51.790 34.719 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.129 51.788 35.772 1.00 0.00 C ATOM 500 CD2 TYR A 32 13.344 52.121 34.936 1.00 0.00 C ATOM 501 CE1 TYR A 32 11.577 52.131 37.097 1.00 0.00 C ATOM 502 CE2 TYR A 32 13.791 52.465 36.260 1.00 0.00 C ATOM 503 CZ TYR A 32 12.887 52.454 37.275 1.00 0.00 C ATOM 504 OH TYR A 32 13.310 52.779 38.526 1.00 0.00 O ATOM 0 H TYR A 32 9.886 50.354 31.902 1.00 0.00 H new ATOM 0 HA TYR A 32 9.791 52.684 33.693 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.352 50.351 33.274 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.347 51.629 32.604 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.094 51.529 35.602 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.043 52.122 34.113 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.889 52.132 37.930 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.823 52.726 36.443 1.00 0.00 H new ATOM 0 HH TYR A 32 14.268 52.986 38.504 1.00 0.00 H new ATOM 514 N ARG A 33 10.694 52.791 30.576 1.00 0.00 N ATOM 515 CA ARG A 33 11.045 53.683 29.483 1.00 0.00 C ATOM 516 C ARG A 33 9.915 54.684 29.232 1.00 0.00 C ATOM 517 O ARG A 33 10.144 55.758 28.678 1.00 0.00 O ATOM 518 CB ARG A 33 11.317 52.898 28.197 1.00 0.00 C ATOM 519 CG ARG A 33 12.527 53.468 27.454 1.00 0.00 C ATOM 520 CD ARG A 33 12.131 54.681 26.610 1.00 0.00 C ATOM 521 NE ARG A 33 13.084 55.790 26.838 1.00 0.00 N ATOM 522 CZ ARG A 33 13.059 56.960 26.165 1.00 0.00 C ATOM 523 NH1 ARG A 33 12.127 57.183 25.214 1.00 0.00 N ATOM 524 NH2 ARG A 33 13.959 57.883 26.450 1.00 0.00 N ATOM 0 H ARG A 33 10.476 51.835 30.294 1.00 0.00 H new ATOM 0 HA ARG A 33 11.952 54.217 29.768 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.494 51.849 28.437 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.439 52.934 27.552 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.296 53.755 28.171 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.959 52.700 26.813 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.120 54.411 25.554 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.121 55.000 26.868 1.00 0.00 H new ATOM 0 HE ARG A 33 13.805 55.662 27.548 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.435 56.465 25.000 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.115 58.070 24.710 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.660 57.707 27.170 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.953 58.772 25.950 1.00 0.00 H new ATOM 537 N LEU A 34 8.720 54.295 29.651 1.00 0.00 N ATOM 538 CA LEU A 34 7.553 55.145 29.478 1.00 0.00 C ATOM 539 C LEU A 34 7.490 56.156 30.625 1.00 0.00 C ATOM 540 O LEU A 34 8.497 56.419 31.282 1.00 0.00 O ATOM 541 CB LEU A 34 6.289 54.296 29.336 1.00 0.00 C ATOM 542 CG LEU A 34 6.331 53.201 28.268 1.00 0.00 C ATOM 543 CD1 LEU A 34 5.106 52.292 28.364 1.00 0.00 C ATOM 544 CD2 LEU A 34 6.489 53.805 26.871 1.00 0.00 C ATOM 0 H LEU A 34 8.534 53.403 30.110 1.00 0.00 H new ATOM 0 HA LEU A 34 7.631 55.716 28.553 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.079 53.829 30.298 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.453 54.959 29.115 1.00 0.00 H new ATOM 0 HG LEU A 34 7.207 52.579 28.452 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.162 51.523 27.593 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.079 51.820 29.346 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.202 52.884 28.221 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.516 53.006 26.130 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.647 54.465 26.662 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.417 54.375 26.824 1.00 0.00 H new ATOM 665 N PHE A 43 -0.219 50.856 38.635 1.00 0.00 N ATOM 666 CA PHE A 43 0.337 49.514 38.590 1.00 0.00 C ATOM 667 C PHE A 43 -0.727 48.469 38.935 1.00 0.00 C ATOM 668 O PHE A 43 -0.491 47.270 38.800 1.00 0.00 O ATOM 669 CB PHE A 43 1.451 49.455 39.636 1.00 0.00 C ATOM 670 CG PHE A 43 2.861 49.569 39.051 1.00 0.00 C ATOM 671 CD1 PHE A 43 3.507 48.455 38.616 1.00 0.00 C ATOM 672 CD2 PHE A 43 3.466 50.783 38.967 1.00 0.00 C ATOM 673 CE1 PHE A 43 4.816 48.560 38.073 1.00 0.00 C ATOM 674 CE2 PHE A 43 4.773 50.889 38.423 1.00 0.00 C ATOM 675 CZ PHE A 43 5.422 49.775 37.988 1.00 0.00 C ATOM 0 HA PHE A 43 0.709 49.299 37.588 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.302 50.259 40.357 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.371 48.516 40.184 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.026 47.491 38.683 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.952 51.667 39.314 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.330 47.675 37.728 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.252 51.854 38.354 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.417 49.855 37.576 1.00 0.00 H new ATOM 685 N GLN A 44 -1.875 48.962 39.375 1.00 0.00 N ATOM 686 CA GLN A 44 -2.975 48.086 39.740 1.00 0.00 C ATOM 687 C GLN A 44 -3.525 47.378 38.501 1.00 0.00 C ATOM 688 O GLN A 44 -3.568 46.150 38.451 1.00 0.00 O ATOM 689 CB GLN A 44 -4.078 48.864 40.462 1.00 0.00 C ATOM 690 CG GLN A 44 -3.909 48.772 41.981 1.00 0.00 C ATOM 691 CD GLN A 44 -3.307 50.062 42.543 1.00 0.00 C ATOM 692 OE1 GLN A 44 -3.567 51.156 42.072 1.00 0.00 O ATOM 693 NE2 GLN A 44 -2.490 49.871 43.575 1.00 0.00 N ATOM 0 H GLN A 44 -2.067 49.957 39.487 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.598 47.329 40.428 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.054 49.909 40.152 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.053 48.470 40.176 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.876 48.584 42.448 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.266 47.928 42.229 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.316 48.927 43.920 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.038 50.669 44.022 1.00 0.00 H new ATOM 702 N GLN A 45 -3.931 48.183 37.530 1.00 0.00 N ATOM 703 CA GLN A 45 -4.476 47.650 36.294 1.00 0.00 C ATOM 704 C GLN A 45 -3.408 46.852 35.543 1.00 0.00 C ATOM 705 O GLN A 45 -3.715 46.146 34.584 1.00 0.00 O ATOM 706 CB GLN A 45 -5.043 48.768 35.416 1.00 0.00 C ATOM 707 CG GLN A 45 -3.927 49.675 34.895 1.00 0.00 C ATOM 708 CD GLN A 45 -4.029 49.855 33.379 1.00 0.00 C ATOM 709 OE1 GLN A 45 -5.100 49.828 32.796 1.00 0.00 O ATOM 710 NE2 GLN A 45 -2.859 50.040 32.775 1.00 0.00 N ATOM 0 H GLN A 45 -3.893 49.201 37.575 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.297 46.977 36.543 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.587 48.335 34.576 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.758 49.358 35.989 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.985 50.647 35.385 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.957 49.247 35.150 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.999 50.052 33.323 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.822 50.170 31.764 1.00 0.00 H new ATOM 719 N LEU A 46 -2.174 46.991 36.009 1.00 0.00 N ATOM 720 CA LEU A 46 -1.060 46.291 35.395 1.00 0.00 C ATOM 721 C LEU A 46 -0.900 44.919 36.050 1.00 0.00 C ATOM 722 O LEU A 46 -0.647 43.927 35.368 1.00 0.00 O ATOM 723 CB LEU A 46 0.206 47.150 35.448 1.00 0.00 C ATOM 724 CG LEU A 46 1.358 46.704 34.545 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.634 47.489 34.856 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.577 45.193 34.643 1.00 0.00 C ATOM 0 H LEU A 46 -1.923 47.578 36.804 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.256 46.117 34.337 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.062 48.173 35.183 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.564 47.170 36.477 1.00 0.00 H new ATOM 0 HG LEU A 46 1.088 46.925 33.512 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.437 47.153 34.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.455 48.552 34.695 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.920 47.322 35.895 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.401 44.902 33.992 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.816 44.926 35.672 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.670 44.673 34.335 1.00 0.00 H new ATOM 738 N ARG A 47 -1.053 44.905 37.366 1.00 0.00 N ATOM 739 CA ARG A 47 -0.929 43.670 38.121 1.00 0.00 C ATOM 740 C ARG A 47 -2.046 42.698 37.738 1.00 0.00 C ATOM 741 O ARG A 47 -1.818 41.494 37.634 1.00 0.00 O ATOM 742 CB ARG A 47 -0.989 43.937 39.627 1.00 0.00 C ATOM 743 CG ARG A 47 -0.404 42.764 40.415 1.00 0.00 C ATOM 744 CD ARG A 47 1.125 42.765 40.345 1.00 0.00 C ATOM 745 NE ARG A 47 1.680 41.887 41.399 1.00 0.00 N ATOM 746 CZ ARG A 47 1.717 42.208 42.710 1.00 0.00 C ATOM 747 NH1 ARG A 47 1.227 43.391 43.140 1.00 0.00 N ATOM 748 NH2 ARG A 47 2.236 41.348 43.566 1.00 0.00 N ATOM 0 H ARG A 47 -1.262 45.730 37.929 1.00 0.00 H new ATOM 0 HA ARG A 47 0.038 43.230 37.879 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.438 44.848 39.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.023 44.104 39.930 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.724 42.824 41.455 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.789 41.825 40.017 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.453 42.421 39.364 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.502 43.780 40.470 1.00 0.00 H new ATOM 0 HE ARG A 47 2.058 40.983 41.117 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.825 44.049 42.473 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.259 43.626 44.132 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.602 40.456 43.234 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.271 41.576 44.560 1.00 0.00 H new ATOM 761 N ARG A 48 -3.231 43.258 37.536 1.00 0.00 N ATOM 762 CA ARG A 48 -4.384 42.456 37.166 1.00 0.00 C ATOM 763 C ARG A 48 -4.171 41.823 35.790 1.00 0.00 C ATOM 764 O ARG A 48 -4.608 40.700 35.544 1.00 0.00 O ATOM 765 CB ARG A 48 -5.658 43.303 37.139 1.00 0.00 C ATOM 766 CG ARG A 48 -5.639 44.284 35.966 1.00 0.00 C ATOM 767 CD ARG A 48 -6.954 45.063 35.881 1.00 0.00 C ATOM 768 NE ARG A 48 -6.893 46.040 34.771 1.00 0.00 N ATOM 769 CZ ARG A 48 -7.783 47.039 34.592 1.00 0.00 C ATOM 770 NH1 ARG A 48 -8.813 47.200 35.450 1.00 0.00 N ATOM 771 NH2 ARG A 48 -7.632 47.854 33.565 1.00 0.00 N ATOM 0 H ARG A 48 -3.416 44.257 37.622 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.498 41.673 37.916 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.529 42.653 37.060 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.754 43.852 38.076 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.807 44.979 36.082 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.473 43.741 35.036 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.785 44.375 35.725 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.141 45.580 36.822 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.131 45.953 34.099 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.923 46.564 36.240 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.481 47.957 35.308 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.852 47.724 32.921 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.296 48.614 33.415 1.00 0.00 H new ATOM 784 N PHE A 49 -3.500 42.572 34.927 1.00 0.00 N ATOM 785 CA PHE A 49 -3.223 42.099 33.581 1.00 0.00 C ATOM 786 C PHE A 49 -2.333 40.855 33.610 1.00 0.00 C ATOM 787 O PHE A 49 -2.584 39.892 32.887 1.00 0.00 O ATOM 788 CB PHE A 49 -2.484 43.225 32.854 1.00 0.00 C ATOM 789 CG PHE A 49 -2.089 42.882 31.416 1.00 0.00 C ATOM 790 CD1 PHE A 49 -1.047 42.041 31.180 1.00 0.00 C ATOM 791 CD2 PHE A 49 -2.779 43.420 30.376 1.00 0.00 C ATOM 792 CE1 PHE A 49 -0.681 41.723 29.844 1.00 0.00 C ATOM 793 CE2 PHE A 49 -2.413 43.102 29.041 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.371 42.261 28.804 1.00 0.00 C ATOM 0 H PHE A 49 -3.140 43.504 35.134 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.154 41.835 33.080 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.115 44.113 32.845 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.585 43.479 33.416 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.498 41.615 32.007 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.605 44.089 30.565 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.145 41.054 29.655 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.962 43.528 28.214 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.092 42.020 27.789 1.00 0.00 H new ATOM 804 N LEU A 50 -1.311 40.916 34.451 1.00 0.00 N ATOM 805 CA LEU A 50 -0.383 39.806 34.583 1.00 0.00 C ATOM 806 C LEU A 50 -1.097 38.625 35.238 1.00 0.00 C ATOM 807 O LEU A 50 -1.030 37.500 34.743 1.00 0.00 O ATOM 808 CB LEU A 50 0.881 40.250 35.324 1.00 0.00 C ATOM 809 CG LEU A 50 1.625 41.445 34.725 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.443 42.173 35.794 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.488 41.015 33.538 1.00 0.00 C ATOM 0 H LEU A 50 -1.105 41.717 35.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.048 39.471 33.602 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.609 40.494 36.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.568 39.405 35.368 1.00 0.00 H new ATOM 0 HG LEU A 50 0.887 42.152 34.347 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.962 43.018 35.342 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.778 42.533 36.579 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.173 41.487 36.224 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.006 41.884 33.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.220 40.278 33.868 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.854 40.576 32.767 1.00 0.00 H new ATOM 823 N LYS A 51 -1.766 38.918 36.345 1.00 0.00 N ATOM 824 CA LYS A 51 -2.493 37.892 37.073 1.00 0.00 C ATOM 825 C LYS A 51 -3.530 37.252 36.148 1.00 0.00 C ATOM 826 O LYS A 51 -3.896 36.092 36.329 1.00 0.00 O ATOM 827 CB LYS A 51 -3.090 38.469 38.358 1.00 0.00 C ATOM 828 CG LYS A 51 -2.000 38.733 39.399 1.00 0.00 C ATOM 829 CD LYS A 51 -2.403 38.181 40.768 1.00 0.00 C ATOM 830 CE LYS A 51 -1.633 36.898 41.090 1.00 0.00 C ATOM 831 NZ LYS A 51 -0.192 37.189 41.260 1.00 0.00 N ATOM 0 H LYS A 51 -1.819 39.851 36.754 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.816 37.099 37.390 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.616 39.397 38.134 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.826 37.775 38.765 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.066 38.272 39.078 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.817 39.805 39.475 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.209 38.929 41.537 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.474 37.980 40.782 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.029 36.447 42.000 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.772 36.172 40.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.233 36.482 41.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.281 37.153 40.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.075 38.137 41.672 1.00 0.00 H new ATOM 844 N LEU A 52 -3.973 38.035 35.175 1.00 0.00 N ATOM 845 CA LEU A 52 -4.959 37.560 34.221 1.00 0.00 C ATOM 846 C LEU A 52 -4.343 36.449 33.368 1.00 0.00 C ATOM 847 O LEU A 52 -4.905 35.361 33.259 1.00 0.00 O ATOM 848 CB LEU A 52 -5.518 38.725 33.403 1.00 0.00 C ATOM 849 CG LEU A 52 -6.335 38.345 32.166 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.078 39.559 31.605 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.451 37.676 31.110 1.00 0.00 C ATOM 0 H LEU A 52 -3.666 38.996 35.027 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.814 37.127 34.740 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.145 39.333 34.055 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.685 39.353 33.085 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.089 37.616 32.465 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.651 39.261 30.727 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.755 39.953 32.363 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.359 40.329 31.325 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.056 37.416 30.241 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.660 38.363 30.809 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.007 36.772 31.527 1.00 0.00 H new ATOM 863 N ALA A 53 -3.194 36.762 32.785 1.00 0.00 N ATOM 864 CA ALA A 53 -2.496 35.804 31.945 1.00 0.00 C ATOM 865 C ALA A 53 -2.153 34.563 32.772 1.00 0.00 C ATOM 866 O ALA A 53 -2.108 33.453 32.242 1.00 0.00 O ATOM 867 CB ALA A 53 -1.255 36.464 31.342 1.00 0.00 C ATOM 0 H ALA A 53 -2.730 37.665 32.878 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.130 35.484 31.118 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.731 35.746 30.712 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.555 37.323 30.741 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.593 36.795 32.143 1.00 0.00 H new ATOM 873 N LEU A 54 -1.920 34.791 34.056 1.00 0.00 N ATOM 874 CA LEU A 54 -1.584 33.705 34.960 1.00 0.00 C ATOM 875 C LEU A 54 -2.643 32.607 34.849 1.00 0.00 C ATOM 876 O LEU A 54 -2.348 31.432 35.057 1.00 0.00 O ATOM 877 CB LEU A 54 -1.391 34.234 36.384 1.00 0.00 C ATOM 878 CG LEU A 54 -0.063 33.882 37.056 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.103 34.025 36.075 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.148 34.714 38.322 1.00 0.00 C ATOM 0 H LEU A 54 -1.957 35.712 34.492 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.631 33.257 34.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.488 35.319 36.363 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.202 33.853 37.005 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.101 32.836 37.361 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.035 33.769 36.578 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.951 33.355 35.229 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.154 35.054 35.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.099 34.444 38.780 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.157 35.773 38.064 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.662 34.519 39.025 1.00 0.00 H new ATOM 892 N LYS A 55 -3.856 33.030 34.521 1.00 0.00 N ATOM 893 CA LYS A 55 -4.960 32.097 34.380 1.00 0.00 C ATOM 894 C LYS A 55 -4.708 31.194 33.172 1.00 0.00 C ATOM 895 O LYS A 55 -5.417 30.209 32.970 1.00 0.00 O ATOM 896 CB LYS A 55 -6.291 32.849 34.319 1.00 0.00 C ATOM 897 CG LYS A 55 -6.680 33.158 32.872 1.00 0.00 C ATOM 898 CD LYS A 55 -7.748 34.253 32.813 1.00 0.00 C ATOM 899 CE LYS A 55 -9.126 33.693 33.167 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.527 34.122 34.527 1.00 0.00 N ATOM 0 H LYS A 55 -4.097 34.006 34.349 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.026 31.449 35.254 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.072 32.252 34.790 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.215 33.777 34.885 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.799 33.474 32.314 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.054 32.254 32.391 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.489 35.056 33.503 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.774 34.688 31.814 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.862 34.035 32.440 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.107 32.604 33.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.465 33.733 34.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.833 33.774 35.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.565 35.161 34.566 1.00 0.00 H new ATOM 913 N THR A 56 -3.696 31.561 32.399 1.00 0.00 N ATOM 914 CA THR A 56 -3.342 30.796 31.216 1.00 0.00 C ATOM 915 C THR A 56 -1.865 30.396 31.262 1.00 0.00 C ATOM 916 O THR A 56 -1.013 31.090 30.710 1.00 0.00 O ATOM 917 CB THR A 56 -3.707 31.630 29.987 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.948 32.237 30.336 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.045 30.764 28.770 1.00 0.00 C ATOM 0 H THR A 56 -3.110 32.378 32.569 1.00 0.00 H new ATOM 0 HA THR A 56 -3.899 29.860 31.169 1.00 0.00 H new ATOM 0 HB THR A 56 -2.879 32.295 29.741 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.411 32.526 29.522 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.297 31.406 27.926 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.185 30.146 28.513 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.895 30.123 29.004 1.00 0.00 H new ATOM 927 N PRO A 57 -1.602 29.249 31.942 1.00 0.00 N ATOM 928 CA PRO A 57 -0.243 28.748 32.068 1.00 0.00 C ATOM 929 C PRO A 57 0.232 28.121 30.756 1.00 0.00 C ATOM 930 O PRO A 57 0.676 26.973 30.738 1.00 0.00 O ATOM 931 CB PRO A 57 -0.295 27.756 33.218 1.00 0.00 C ATOM 932 CG PRO A 57 -1.760 27.390 33.388 1.00 0.00 C ATOM 933 CD PRO A 57 -2.586 28.400 32.608 1.00 0.00 C ATOM 0 HA PRO A 57 0.480 29.537 32.274 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.305 26.873 32.999 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.106 28.196 34.131 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.946 26.380 33.022 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.037 27.403 34.442 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.236 27.906 31.886 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.228 28.982 33.269 1.00 0.00 H new ATOM 941 N ILE A 58 0.125 28.900 29.690 1.00 0.00 N ATOM 942 CA ILE A 58 0.538 28.435 28.378 1.00 0.00 C ATOM 943 C ILE A 58 1.712 29.285 27.886 1.00 0.00 C ATOM 944 O ILE A 58 2.464 28.863 27.009 1.00 0.00 O ATOM 945 CB ILE A 58 -0.652 28.415 27.416 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.235 28.880 26.019 1.00 0.00 C ATOM 947 CG2 ILE A 58 -1.817 29.238 27.970 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.723 27.878 25.372 1.00 0.00 C ATOM 0 H ILE A 58 -0.242 29.851 29.709 1.00 0.00 H new ATOM 0 HA ILE A 58 0.890 27.405 28.433 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.000 27.386 27.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.119 29.000 25.393 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.244 29.857 26.085 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.650 29.208 27.268 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.134 28.822 28.927 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.498 30.271 28.111 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.004 28.232 24.380 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.616 27.779 25.989 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.232 26.909 25.286 1.00 0.00 H new ATOM 960 N TRP A 59 1.831 30.467 28.473 1.00 0.00 N ATOM 961 CA TRP A 59 2.900 31.380 28.107 1.00 0.00 C ATOM 962 C TRP A 59 4.037 31.207 29.117 1.00 0.00 C ATOM 963 O TRP A 59 5.180 31.566 28.837 1.00 0.00 O ATOM 964 CB TRP A 59 2.388 32.819 28.023 1.00 0.00 C ATOM 965 CG TRP A 59 1.534 33.245 29.218 1.00 0.00 C ATOM 966 CD1 TRP A 59 0.241 32.977 29.446 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.966 34.033 30.348 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.190 33.531 30.635 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.893 34.193 31.200 1.00 0.00 C ATOM 970 CE3 TRP A 59 3.224 34.590 30.639 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.968 34.910 32.400 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.282 35.305 31.842 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.211 35.476 32.711 1.00 0.00 C ATOM 0 H TRP A 59 1.204 30.813 29.200 1.00 0.00 H new ATOM 0 HA TRP A 59 3.281 31.149 27.112 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.241 33.493 27.940 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.802 32.933 27.111 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.386 32.400 28.782 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.130 33.466 31.026 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.077 34.476 29.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.113 35.021 33.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.225 35.755 32.113 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.336 36.043 33.622 1.00 0.00 H new ATOM 984 N LEU A 60 3.682 30.659 30.270 1.00 0.00 N ATOM 985 CA LEU A 60 4.658 30.435 31.322 1.00 0.00 C ATOM 986 C LEU A 60 5.578 29.279 30.923 1.00 0.00 C ATOM 987 O LEU A 60 6.801 29.412 30.962 1.00 0.00 O ATOM 988 CB LEU A 60 3.958 30.227 32.666 1.00 0.00 C ATOM 989 CG LEU A 60 4.268 31.260 33.752 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.458 32.651 33.146 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.193 31.251 34.841 1.00 0.00 C ATOM 0 H LEU A 60 2.733 30.364 30.498 1.00 0.00 H new ATOM 0 HA LEU A 60 5.289 31.315 31.449 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.881 30.221 32.495 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.226 29.240 33.044 1.00 0.00 H new ATOM 0 HG LEU A 60 5.209 30.984 34.227 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.677 33.366 33.939 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.286 32.629 32.438 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.546 32.950 32.629 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.438 31.994 35.600 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.225 31.489 34.399 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.149 30.264 35.301 1.00 0.00 H new ATOM 1003 N ASN A 61 4.955 28.172 30.547 1.00 0.00 N ATOM 1004 CA ASN A 61 5.701 26.994 30.141 1.00 0.00 C ATOM 1005 C ASN A 61 6.768 27.399 29.121 1.00 0.00 C ATOM 1006 O ASN A 61 7.960 27.193 29.349 1.00 0.00 O ATOM 1007 CB ASN A 61 4.785 25.961 29.481 1.00 0.00 C ATOM 1008 CG ASN A 61 4.757 24.660 30.285 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.610 24.652 31.496 1.00 0.00 O ATOM 1010 ND2 ASN A 61 4.907 23.564 29.547 1.00 0.00 N ATOM 0 H ASN A 61 3.941 28.066 30.515 1.00 0.00 H new ATOM 0 HA ASN A 61 6.153 26.558 31.032 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.776 26.364 29.400 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.130 25.759 28.467 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.903 22.646 29.991 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.026 23.642 28.537 1.00 0.00 H new ATOM 1017 N PRO A 62 6.290 27.981 27.989 1.00 0.00 N ATOM 1018 CA PRO A 62 7.189 28.416 26.934 1.00 0.00 C ATOM 1019 C PRO A 62 7.917 29.703 27.329 1.00 0.00 C ATOM 1020 O PRO A 62 8.794 30.171 26.605 1.00 0.00 O ATOM 1021 CB PRO A 62 6.305 28.587 25.710 1.00 0.00 C ATOM 1022 CG PRO A 62 4.882 28.693 26.234 1.00 0.00 C ATOM 1023 CD PRO A 62 4.886 28.240 27.685 1.00 0.00 C ATOM 0 HA PRO A 62 7.985 27.698 26.738 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.582 29.480 25.150 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.409 27.740 25.032 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.521 29.719 26.155 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.210 28.072 25.642 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.474 29.007 28.340 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.280 27.345 27.822 1.00 0.00 H new ATOM 1031 N ILE A 63 7.526 30.236 28.477 1.00 0.00 N ATOM 1032 CA ILE A 63 8.131 31.459 28.978 1.00 0.00 C ATOM 1033 C ILE A 63 8.417 32.399 27.805 1.00 0.00 C ATOM 1034 O ILE A 63 9.503 32.365 27.228 1.00 0.00 O ATOM 1035 CB ILE A 63 9.365 31.139 29.825 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.896 32.396 30.516 1.00 0.00 C ATOM 1037 CG2 ILE A 63 10.441 30.447 28.986 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.753 33.215 31.118 1.00 0.00 C ATOM 0 H ILE A 63 6.798 29.844 29.074 1.00 0.00 H new ATOM 0 HA ILE A 63 7.443 31.979 29.644 1.00 0.00 H new ATOM 0 HB ILE A 63 9.070 30.441 30.609 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.599 32.115 31.300 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.446 33.005 29.798 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.307 30.231 29.612 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.044 29.516 28.581 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.740 31.101 28.166 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.158 34.103 31.603 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.065 33.515 30.328 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.220 32.611 31.853 1.00 0.00 H new ATOM 1050 N ASP A 64 7.424 33.216 27.487 1.00 0.00 N ATOM 1051 CA ASP A 64 7.555 34.163 26.393 1.00 0.00 C ATOM 1052 C ASP A 64 6.470 35.234 26.518 1.00 0.00 C ATOM 1053 O ASP A 64 5.282 34.934 26.404 1.00 0.00 O ATOM 1054 CB ASP A 64 7.382 33.470 25.040 1.00 0.00 C ATOM 1055 CG ASP A 64 8.620 32.728 24.531 1.00 0.00 C ATOM 1056 OD1 ASP A 64 8.540 31.562 24.116 1.00 0.00 O ATOM 1057 OD2 ASP A 64 9.718 33.407 24.570 1.00 0.00 O ATOM 0 H ASP A 64 6.525 33.242 27.968 1.00 0.00 H new ATOM 0 HA ASP A 64 8.550 34.604 26.447 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.557 32.761 25.114 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.095 34.217 24.300 1.00 0.00 H new ATOM 1063 N TYR A 65 6.916 36.459 26.751 1.00 0.00 N ATOM 1064 CA TYR A 65 5.997 37.576 26.893 1.00 0.00 C ATOM 1065 C TYR A 65 5.328 37.908 25.557 1.00 0.00 C ATOM 1066 O TYR A 65 4.455 38.772 25.494 1.00 0.00 O ATOM 1067 CB TYR A 65 6.848 38.769 27.334 1.00 0.00 C ATOM 1068 CG TYR A 65 6.058 39.863 28.054 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.893 39.807 29.424 1.00 0.00 C ATOM 1070 CD2 TYR A 65 5.511 40.906 27.335 1.00 0.00 C ATOM 1071 CE1 TYR A 65 5.150 40.838 30.101 1.00 0.00 C ATOM 1072 CE2 TYR A 65 4.768 41.937 28.013 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.624 41.852 29.363 1.00 0.00 C ATOM 1074 OH TYR A 65 3.922 42.824 30.003 1.00 0.00 O ATOM 0 H TYR A 65 7.902 36.703 26.845 1.00 0.00 H new ATOM 0 HA TYR A 65 5.210 37.337 27.608 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.640 38.414 27.993 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.332 39.201 26.458 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.321 38.991 29.987 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.640 40.949 26.264 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.013 40.807 31.172 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.335 42.759 27.462 1.00 0.00 H new ATOM 0 HH TYR A 65 4.442 43.654 30.008 1.00 0.00 H new ATOM 1084 N SER A 66 5.764 37.205 24.522 1.00 0.00 N ATOM 1085 CA SER A 66 5.218 37.414 23.192 1.00 0.00 C ATOM 1086 C SER A 66 3.799 36.849 23.114 1.00 0.00 C ATOM 1087 O SER A 66 3.047 37.175 22.197 1.00 0.00 O ATOM 1088 CB SER A 66 6.105 36.770 22.125 1.00 0.00 C ATOM 1089 OG SER A 66 7.491 36.960 22.398 1.00 0.00 O ATOM 0 H SER A 66 6.489 36.490 24.578 1.00 0.00 H new ATOM 0 HA SER A 66 5.186 38.487 23.000 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.889 35.703 22.070 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.866 37.195 21.150 1.00 0.00 H new ATOM 0 HG SER A 66 8.024 36.533 21.695 1.00 0.00 H new ATOM 1095 N LEU A 67 3.475 36.011 24.087 1.00 0.00 N ATOM 1096 CA LEU A 67 2.159 35.397 24.140 1.00 0.00 C ATOM 1097 C LEU A 67 1.229 36.267 24.990 1.00 0.00 C ATOM 1098 O LEU A 67 0.009 36.131 24.918 1.00 0.00 O ATOM 1099 CB LEU A 67 2.262 33.950 24.625 1.00 0.00 C ATOM 1100 CG LEU A 67 0.953 33.159 24.658 1.00 0.00 C ATOM 1101 CD1 LEU A 67 1.221 31.661 24.816 1.00 0.00 C ATOM 1102 CD2 LEU A 67 0.018 33.692 25.745 1.00 0.00 C ATOM 0 H LEU A 67 4.101 35.742 24.846 1.00 0.00 H new ATOM 0 HA LEU A 67 1.723 35.344 23.143 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.967 33.422 23.983 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.687 33.954 25.629 1.00 0.00 H new ATOM 0 HG LEU A 67 0.447 33.296 23.702 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.274 31.122 24.837 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.821 31.308 23.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.759 31.484 25.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.905 33.112 25.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.503 33.605 26.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.211 34.739 25.546 1.00 0.00 H new ATOM 1114 N LEU A 68 1.842 37.139 25.776 1.00 0.00 N ATOM 1115 CA LEU A 68 1.085 38.030 26.639 1.00 0.00 C ATOM 1116 C LEU A 68 0.209 38.943 25.779 1.00 0.00 C ATOM 1117 O LEU A 68 -1.014 38.935 25.906 1.00 0.00 O ATOM 1118 CB LEU A 68 2.022 38.787 27.583 1.00 0.00 C ATOM 1119 CG LEU A 68 2.049 38.300 29.033 1.00 0.00 C ATOM 1120 CD1 LEU A 68 2.801 39.287 29.928 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.634 38.025 29.546 1.00 0.00 C ATOM 0 H LEU A 68 2.855 37.248 25.834 1.00 0.00 H new ATOM 0 HA LEU A 68 0.416 37.459 27.283 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.034 38.729 27.182 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.737 39.839 27.579 1.00 0.00 H new ATOM 0 HG LEU A 68 2.592 37.356 29.066 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.806 38.918 30.953 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.827 39.390 29.575 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.307 40.258 29.895 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.682 37.680 30.579 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.045 38.941 29.496 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.166 37.258 28.929 1.00 0.00 H new ATOM 1133 N ALA A 69 0.870 39.709 24.923 1.00 0.00 N ATOM 1134 CA ALA A 69 0.167 40.625 24.041 1.00 0.00 C ATOM 1135 C ALA A 69 -0.955 39.875 23.322 1.00 0.00 C ATOM 1136 O ALA A 69 -1.915 40.485 22.855 1.00 0.00 O ATOM 1137 CB ALA A 69 1.161 41.262 23.068 1.00 0.00 C ATOM 0 H ALA A 69 1.885 39.714 24.822 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.291 41.432 24.613 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.633 41.949 22.407 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.919 41.809 23.629 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.640 40.483 22.475 1.00 0.00 H new ATOM 1143 N SER A 70 -0.797 38.561 23.254 1.00 0.00 N ATOM 1144 CA SER A 70 -1.784 37.721 22.599 1.00 0.00 C ATOM 1145 C SER A 70 -3.033 37.600 23.474 1.00 0.00 C ATOM 1146 O SER A 70 -4.154 37.734 22.986 1.00 0.00 O ATOM 1147 CB SER A 70 -1.212 36.334 22.293 1.00 0.00 C ATOM 1148 OG SER A 70 -1.900 35.698 21.219 1.00 0.00 O ATOM 0 H SER A 70 0.001 38.058 23.642 1.00 0.00 H new ATOM 0 HA SER A 70 -2.056 38.188 21.653 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.155 36.425 22.043 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.276 35.710 23.185 1.00 0.00 H new ATOM 0 HG SER A 70 -1.505 34.817 21.053 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.796 37.347 24.753 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.888 37.206 25.702 1.00 0.00 C ATOM 1156 C LEU A 71 -4.766 38.458 25.652 1.00 0.00 C ATOM 1157 O LEU A 71 -5.991 38.362 25.685 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.347 36.889 27.098 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.712 35.515 27.664 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.491 34.595 27.700 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.372 35.647 29.037 1.00 0.00 C ATOM 0 H LEU A 71 -1.865 37.236 25.154 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.521 36.361 25.432 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.260 36.972 27.072 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.709 37.652 27.788 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.442 35.054 26.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.778 33.625 28.106 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.104 34.465 26.690 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.720 35.038 28.330 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.622 34.657 29.417 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.684 36.137 29.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.281 36.241 28.948 1.00 0.00 H new ATOM 1173 N ILE A 72 -4.104 39.603 25.574 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.809 40.872 25.520 1.00 0.00 C ATOM 1175 C ILE A 72 -6.059 40.719 24.649 1.00 0.00 C ATOM 1176 O ILE A 72 -5.975 40.766 23.423 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.870 41.988 25.056 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.646 42.087 25.969 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.613 43.321 24.946 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.962 43.448 25.823 1.00 0.00 C ATOM 0 H ILE A 72 -3.087 39.678 25.547 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.146 41.163 26.515 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.509 41.739 24.058 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.948 41.937 27.006 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.940 41.293 25.724 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.922 44.096 24.615 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.425 43.226 24.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.022 43.591 25.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.095 43.492 26.483 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.640 43.584 24.791 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.663 44.238 26.092 1.00 0.00 H new ATOM 1192 N PRO A 73 -7.218 40.535 25.336 1.00 0.00 N ATOM 1193 CA PRO A 73 -8.483 40.376 24.638 1.00 0.00 C ATOM 1194 C PRO A 73 -8.980 41.714 24.090 1.00 0.00 C ATOM 1195 O PRO A 73 -9.676 42.454 24.784 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.425 39.768 25.666 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.793 40.040 27.021 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.355 40.474 26.788 1.00 0.00 C ATOM 0 HA PRO A 73 -8.402 39.733 23.761 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.417 40.216 25.600 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.547 38.698 25.499 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.345 40.817 27.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.825 39.146 27.643 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.154 41.443 27.246 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.651 39.764 27.223 1.00 0.00 H new ATOM 1206 N LYS A 74 -8.604 41.986 22.849 1.00 0.00 N ATOM 1207 CA LYS A 74 -9.002 43.224 22.201 1.00 0.00 C ATOM 1208 C LYS A 74 -8.311 44.402 22.890 1.00 0.00 C ATOM 1209 O LYS A 74 -8.037 44.350 24.087 1.00 0.00 O ATOM 1210 CB LYS A 74 -10.527 43.341 22.162 1.00 0.00 C ATOM 1211 CG LYS A 74 -11.137 42.278 21.247 1.00 0.00 C ATOM 1212 CD LYS A 74 -11.636 42.899 19.941 1.00 0.00 C ATOM 1213 CE LYS A 74 -10.612 42.715 18.819 1.00 0.00 C ATOM 1214 NZ LYS A 74 -10.178 44.028 18.293 1.00 0.00 N ATOM 0 H LYS A 74 -8.028 41.370 22.275 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.678 43.231 21.160 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.929 43.233 23.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.810 44.333 21.811 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.394 41.511 21.028 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.963 41.784 21.758 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.582 42.439 19.654 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.830 43.961 20.090 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.749 42.163 19.193 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.047 42.121 18.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.483 43.885 17.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.001 44.541 17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.744 44.582 19.058 1.00 0.00 H new ATOM 1227 N GLY A 75 -8.050 45.435 22.104 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.397 46.625 22.624 1.00 0.00 C ATOM 1229 C GLY A 75 -7.829 46.902 24.065 1.00 0.00 C ATOM 1230 O GLY A 75 -9.006 47.148 24.329 1.00 0.00 O ATOM 0 H GLY A 75 -8.279 45.473 21.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.315 46.498 22.583 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.641 47.482 21.996 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.854 46.854 24.960 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.118 47.096 26.368 1.00 0.00 C ATOM 1236 C TYR A 76 -6.866 48.561 26.729 1.00 0.00 C ATOM 1237 O TYR A 76 -6.169 49.271 26.006 1.00 0.00 O ATOM 1238 CB TYR A 76 -6.133 46.217 27.141 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.798 45.260 28.132 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.983 44.634 27.799 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.214 45.022 29.359 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.609 43.734 28.732 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.841 44.121 30.292 1.00 0.00 C ATOM 1244 CZ TYR A 76 -8.006 43.522 29.932 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.598 42.671 30.814 1.00 0.00 O ATOM 0 H TYR A 76 -5.879 46.651 24.738 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.157 46.869 26.607 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.545 45.637 26.430 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.437 46.858 27.682 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.440 44.820 26.838 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.287 45.511 29.620 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.536 43.239 28.484 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.395 43.926 31.256 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.056 42.615 31.628 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.462 48.982 27.878 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.308 50.350 28.343 1.00 0.00 C ATOM 1257 C PRO A 77 -5.918 50.573 28.942 1.00 0.00 C ATOM 1258 O PRO A 77 -5.021 49.751 28.762 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.429 50.551 29.350 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.879 49.157 29.756 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.295 48.169 28.759 1.00 0.00 C ATOM 0 HA PRO A 77 -7.380 51.079 27.536 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.081 51.116 30.214 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.252 51.115 28.911 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.540 48.926 30.766 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.967 49.094 29.763 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.708 47.400 29.261 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.080 47.658 28.202 1.00 0.00 H new ATOM 1269 N GLY A 78 -5.783 51.687 29.644 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.518 52.029 30.272 1.00 0.00 C ATOM 1271 C GLY A 78 -3.369 51.950 29.265 1.00 0.00 C ATOM 1272 O GLY A 78 -3.592 51.715 28.079 1.00 0.00 O ATOM 0 H GLY A 78 -6.530 52.366 29.792 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.574 53.035 30.687 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.325 51.351 31.103 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.162 52.151 29.776 1.00 0.00 N ATOM 1277 CA ARG A 79 -0.977 52.106 28.937 1.00 0.00 C ATOM 1278 C ARG A 79 -0.214 50.799 29.166 1.00 0.00 C ATOM 1279 O ARG A 79 0.968 50.703 28.845 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.050 53.287 29.229 1.00 0.00 C ATOM 1281 CG ARG A 79 -0.816 54.611 29.176 1.00 0.00 C ATOM 1282 CD ARG A 79 -0.446 55.410 27.924 1.00 0.00 C ATOM 1283 NE ARG A 79 0.516 56.479 28.272 1.00 0.00 N ATOM 1284 CZ ARG A 79 0.163 57.674 28.790 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -1.134 57.964 29.026 1.00 0.00 N ATOM 1286 NH2 ARG A 79 1.107 58.557 29.062 1.00 0.00 N ATOM 0 H ARG A 79 -1.980 52.345 30.761 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.304 52.163 27.899 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.403 53.164 30.213 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.763 53.304 28.503 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.888 54.415 29.183 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.594 55.200 30.066 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.011 54.748 27.175 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.342 55.846 27.482 1.00 0.00 H new ATOM 0 HE ARG A 79 1.507 56.302 28.110 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.857 57.277 28.813 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.391 58.870 29.418 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.085 58.331 28.880 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.858 59.465 29.454 1.00 0.00 H new ATOM 1299 N VAL A 80 -0.924 49.826 29.718 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.328 48.530 29.994 1.00 0.00 C ATOM 1301 C VAL A 80 0.154 47.906 28.682 1.00 0.00 C ATOM 1302 O VAL A 80 1.278 47.414 28.603 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.325 47.646 30.746 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.567 46.333 29.997 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.853 47.381 32.177 1.00 0.00 C ATOM 0 H VAL A 80 -1.906 49.909 29.981 1.00 0.00 H new ATOM 0 HA VAL A 80 0.542 48.639 30.641 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.273 48.182 30.800 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.279 45.723 30.553 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.968 46.548 29.007 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.626 45.792 29.898 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.580 46.750 32.689 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.113 46.876 32.154 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.755 48.327 32.709 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.721 47.947 27.689 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.398 47.392 26.385 1.00 0.00 C ATOM 1317 C VAL A 81 0.737 48.203 25.756 1.00 0.00 C ATOM 1318 O VAL A 81 1.620 47.644 25.108 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.653 47.344 25.511 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.391 46.571 24.217 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.833 46.745 26.279 1.00 0.00 C ATOM 0 H VAL A 81 -1.653 48.355 27.760 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.047 46.365 26.484 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.914 48.368 25.242 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.299 46.552 23.614 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.594 47.059 23.657 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.093 45.550 24.457 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.712 46.722 25.635 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.586 45.730 26.592 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.042 47.355 27.158 1.00 0.00 H new ATOM 1331 N GLU A 82 0.677 49.509 25.970 1.00 0.00 N ATOM 1332 CA GLU A 82 1.688 50.403 25.434 1.00 0.00 C ATOM 1333 C GLU A 82 3.077 49.995 25.933 1.00 0.00 C ATOM 1334 O GLU A 82 4.089 50.417 25.376 1.00 0.00 O ATOM 1335 CB GLU A 82 1.383 51.858 25.795 1.00 0.00 C ATOM 1336 CG GLU A 82 1.802 52.803 24.665 1.00 0.00 C ATOM 1337 CD GLU A 82 2.669 53.944 25.199 1.00 0.00 C ATOM 1338 OE1 GLU A 82 2.745 54.146 26.421 1.00 0.00 O ATOM 1339 OE2 GLU A 82 3.278 54.635 24.296 1.00 0.00 O ATOM 0 H GLU A 82 -0.057 49.970 26.508 1.00 0.00 H new ATOM 0 HA GLU A 82 1.675 50.322 24.347 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.317 51.972 25.993 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.908 52.127 26.712 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.353 52.247 23.906 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.915 53.211 24.180 1.00 0.00 H new ATOM 1347 N ILE A 83 3.079 49.179 26.977 1.00 0.00 N ATOM 1348 CA ILE A 83 4.325 48.709 27.557 1.00 0.00 C ATOM 1349 C ILE A 83 4.719 47.383 26.904 1.00 0.00 C ATOM 1350 O ILE A 83 5.872 46.964 26.986 1.00 0.00 O ATOM 1351 CB ILE A 83 4.213 48.635 29.081 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.702 49.958 29.658 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.541 48.211 29.709 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.812 49.716 30.879 1.00 0.00 C ATOM 0 H ILE A 83 2.237 48.831 27.436 1.00 0.00 H new ATOM 0 HA ILE A 83 5.130 49.416 27.354 1.00 0.00 H new ATOM 0 HB ILE A 83 3.480 47.869 29.333 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.547 50.587 29.938 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.141 50.499 28.896 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.433 48.166 30.793 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.825 47.228 29.332 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.313 48.935 29.451 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.462 50.672 31.270 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.956 49.107 30.590 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.383 49.197 31.648 1.00 0.00 H new ATOM 1366 N ILE A 84 3.737 46.757 26.271 1.00 0.00 N ATOM 1367 CA ILE A 84 3.966 45.487 25.605 1.00 0.00 C ATOM 1368 C ILE A 84 4.265 45.738 24.126 1.00 0.00 C ATOM 1369 O ILE A 84 5.240 45.215 23.588 1.00 0.00 O ATOM 1370 CB ILE A 84 2.789 44.537 25.842 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.315 44.605 27.294 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.143 43.110 25.420 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.030 43.799 27.490 1.00 0.00 C ATOM 0 H ILE A 84 2.781 47.106 26.206 1.00 0.00 H new ATOM 0 HA ILE A 84 4.838 44.988 26.027 1.00 0.00 H new ATOM 0 HB ILE A 84 1.957 44.860 25.216 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.094 44.220 27.953 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.143 45.644 27.576 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.290 42.455 25.599 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.395 43.096 24.360 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.997 42.760 26.000 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.715 43.864 28.531 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.247 44.201 26.848 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.212 42.756 27.231 1.00 0.00 H new ATOM 1385 N ASN A 85 3.407 46.538 23.509 1.00 0.00 N ATOM 1386 CA ASN A 85 3.568 46.865 22.103 1.00 0.00 C ATOM 1387 C ASN A 85 5.012 47.298 21.845 1.00 0.00 C ATOM 1388 O ASN A 85 5.504 47.194 20.722 1.00 0.00 O ATOM 1389 CB ASN A 85 2.648 48.019 21.697 1.00 0.00 C ATOM 1390 CG ASN A 85 3.193 49.357 22.201 1.00 0.00 C ATOM 1391 OD1 ASN A 85 3.841 49.444 23.230 1.00 0.00 O ATOM 1392 ND2 ASN A 85 2.895 50.391 21.419 1.00 0.00 N ATOM 0 H ASN A 85 2.599 46.969 23.957 1.00 0.00 H new ATOM 0 HA ASN A 85 3.315 45.979 21.520 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.551 48.047 20.612 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.650 47.853 22.102 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.214 51.327 21.668 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.348 50.247 20.570 1.00 0.00 H new ATOM 1399 N ILE A 86 5.650 47.775 22.903 1.00 0.00 N ATOM 1400 CA ILE A 86 7.029 48.223 22.806 1.00 0.00 C ATOM 1401 C ILE A 86 7.953 47.007 22.731 1.00 0.00 C ATOM 1402 O ILE A 86 8.920 47.002 21.971 1.00 0.00 O ATOM 1403 CB ILE A 86 7.363 49.181 23.952 1.00 0.00 C ATOM 1404 CG1 ILE A 86 6.757 50.564 23.705 1.00 0.00 C ATOM 1405 CG2 ILE A 86 8.873 49.250 24.186 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.568 51.323 25.019 1.00 0.00 C ATOM 0 H ILE A 86 5.238 47.861 23.832 1.00 0.00 H new ATOM 0 HA ILE A 86 7.180 48.794 21.890 1.00 0.00 H new ATOM 0 HB ILE A 86 6.913 48.791 24.865 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.405 51.136 23.041 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.797 50.459 23.200 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.083 49.937 25.005 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.248 48.258 24.439 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.366 49.604 23.280 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.136 52.303 24.814 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.900 50.761 25.671 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.533 51.448 25.509 1.00 0.00 H new ATOM 1418 N LEU A 87 7.624 46.005 23.533 1.00 0.00 N ATOM 1419 CA LEU A 87 8.413 44.784 23.568 1.00 0.00 C ATOM 1420 C LEU A 87 8.347 44.100 22.201 1.00 0.00 C ATOM 1421 O LEU A 87 9.351 43.587 21.710 1.00 0.00 O ATOM 1422 CB LEU A 87 7.966 43.891 24.727 1.00 0.00 C ATOM 1423 CG LEU A 87 7.831 44.574 26.088 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.170 43.643 27.107 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.185 45.091 26.579 1.00 0.00 C ATOM 0 H LEU A 87 6.822 46.013 24.164 1.00 0.00 H new ATOM 0 HA LEU A 87 9.462 45.012 23.759 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.004 43.449 24.468 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.678 43.072 24.823 1.00 0.00 H new ATOM 0 HG LEU A 87 7.178 45.439 25.972 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.086 44.154 28.066 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.176 43.366 26.756 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.776 42.745 27.226 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.061 45.572 27.549 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.880 44.257 26.674 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.580 45.813 25.864 1.00 0.00 H new ATOM 1437 N VAL A 88 7.153 44.114 21.626 1.00 0.00 N ATOM 1438 CA VAL A 88 6.943 43.499 20.326 1.00 0.00 C ATOM 1439 C VAL A 88 7.679 44.313 19.258 1.00 0.00 C ATOM 1440 O VAL A 88 8.402 43.753 18.436 1.00 0.00 O ATOM 1441 CB VAL A 88 5.445 43.366 20.047 1.00 0.00 C ATOM 1442 CG1 VAL A 88 5.175 43.228 18.547 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.846 42.189 20.822 1.00 0.00 C ATOM 0 H VAL A 88 6.322 44.541 22.036 1.00 0.00 H new ATOM 0 HA VAL A 88 7.355 42.490 20.309 1.00 0.00 H new ATOM 0 HB VAL A 88 4.958 44.278 20.392 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.102 43.135 18.377 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.550 44.110 18.027 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.681 42.341 18.166 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.780 42.116 20.606 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.341 41.266 20.521 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.990 42.346 21.891 1.00 0.00 H new ATOM 1453 N LYS A 89 7.469 45.619 19.305 1.00 0.00 N ATOM 1454 CA LYS A 89 8.103 46.515 18.353 1.00 0.00 C ATOM 1455 C LYS A 89 9.567 46.720 18.749 1.00 0.00 C ATOM 1456 O LYS A 89 10.313 47.402 18.048 1.00 0.00 O ATOM 1457 CB LYS A 89 7.310 47.817 18.231 1.00 0.00 C ATOM 1458 CG LYS A 89 6.985 48.127 16.769 1.00 0.00 C ATOM 1459 CD LYS A 89 8.187 48.754 16.060 1.00 0.00 C ATOM 1460 CE LYS A 89 7.772 49.999 15.273 1.00 0.00 C ATOM 1461 NZ LYS A 89 8.960 50.671 14.701 1.00 0.00 N ATOM 0 H LYS A 89 6.868 46.080 19.988 1.00 0.00 H new ATOM 0 HA LYS A 89 8.101 46.074 17.356 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.386 47.739 18.804 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.884 48.638 18.662 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.693 47.211 16.256 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.134 48.806 16.718 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.948 49.020 16.794 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.636 48.026 15.385 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.085 49.719 14.474 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.237 50.688 15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.660 51.514 14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.601 50.955 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.455 50.017 14.061 1.00 0.00 H new ATOM 1474 N ASN A 90 9.933 46.117 19.871 1.00 0.00 N ATOM 1475 CA ASN A 90 11.294 46.226 20.369 1.00 0.00 C ATOM 1476 C ASN A 90 12.270 45.808 19.267 1.00 0.00 C ATOM 1477 O ASN A 90 13.433 46.206 19.280 1.00 0.00 O ATOM 1478 CB ASN A 90 11.515 45.306 21.571 1.00 0.00 C ATOM 1479 CG ASN A 90 11.844 43.882 21.118 1.00 0.00 C ATOM 1480 OD1 ASN A 90 11.263 43.349 20.188 1.00 0.00 O ATOM 1481 ND2 ASN A 90 12.806 43.298 21.827 1.00 0.00 N ATOM 0 H ASN A 90 9.311 45.552 20.449 1.00 0.00 H new ATOM 0 HA ASN A 90 11.462 47.260 20.671 1.00 0.00 H new ATOM 0 HB2 ASN A 90 12.328 45.693 22.185 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.621 45.296 22.195 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.098 42.347 21.604 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.252 43.802 22.594 1.00 0.00 H new