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 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.17) USER MOD Single : A 23 HIS : no HD1:sc= -7.67! C(o=-7.7!,f=-7!) USER MOD Single : A 26 ASN : amide:sc= -6.67! C(o=-6.7!,f=-3.9!) USER MOD Single : A 29 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.67) 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 170:sc= -3.8! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 92:sc= -2.58! USER MOD Single : A 66 SER OG : rot 180:sc= -0.942 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 15:sc= -1.88 USER MOD Single : A 85 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.049) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -0.0406 (180deg=-0.351) USER MOD Single : A 90 ASN : amide:sc= -3.13! C(o=-3.1!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 11.483 37.210 37.291 1.00 0.00 N ATOM 313 CA THR A 21 11.883 38.606 37.361 1.00 0.00 C ATOM 314 C THR A 21 12.156 39.153 35.959 1.00 0.00 C ATOM 315 O THR A 21 11.717 40.251 35.621 1.00 0.00 O ATOM 316 CB THR A 21 13.090 38.704 38.298 1.00 0.00 C ATOM 317 OG1 THR A 21 12.531 39.126 39.539 1.00 0.00 O ATOM 318 CG2 THR A 21 14.039 39.840 37.911 1.00 0.00 C ATOM 0 HA THR A 21 11.085 39.227 37.768 1.00 0.00 H new ATOM 0 HB THR A 21 13.633 37.759 38.292 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.244 39.214 40.206 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.878 39.866 38.607 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.411 39.675 36.900 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.505 40.789 37.950 1.00 0.00 H new ATOM 326 N HIS A 22 12.880 38.362 35.180 1.00 0.00 N ATOM 327 CA HIS A 22 13.217 38.754 33.822 1.00 0.00 C ATOM 328 C HIS A 22 11.934 38.954 33.013 1.00 0.00 C ATOM 329 O HIS A 22 11.828 39.901 32.235 1.00 0.00 O ATOM 330 CB HIS A 22 14.169 37.740 33.185 1.00 0.00 C ATOM 331 CG HIS A 22 15.475 38.335 32.714 1.00 0.00 C ATOM 332 ND1 HIS A 22 16.196 37.816 31.653 1.00 0.00 N ATOM 333 CD2 HIS A 22 16.181 39.409 33.172 1.00 0.00 C ATOM 334 CE1 HIS A 22 17.284 38.552 31.488 1.00 0.00 C ATOM 335 NE2 HIS A 22 17.274 39.537 32.431 1.00 0.00 N ATOM 0 H HIS A 22 13.242 37.452 35.464 1.00 0.00 H new ATOM 0 HA HIS A 22 13.749 39.705 33.835 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.380 36.952 33.908 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.669 37.270 32.338 1.00 0.00 H new ATOM 0 HD2 HIS A 22 15.898 40.046 33.997 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.046 38.399 30.738 1.00 0.00 H new ATOM 0 HE2 HIS A 22 17.990 40.255 32.548 1.00 0.00 H new ATOM 343 N HIS A 23 10.992 38.046 33.224 1.00 0.00 N ATOM 344 CA HIS A 23 9.720 38.111 32.523 1.00 0.00 C ATOM 345 C HIS A 23 9.010 39.421 32.868 1.00 0.00 C ATOM 346 O HIS A 23 8.481 40.097 31.986 1.00 0.00 O ATOM 347 CB HIS A 23 8.869 36.877 32.828 1.00 0.00 C ATOM 348 CG HIS A 23 9.603 35.568 32.661 1.00 0.00 C ATOM 349 ND1 HIS A 23 9.158 34.383 33.220 1.00 0.00 N ATOM 350 CD2 HIS A 23 10.754 35.271 31.993 1.00 0.00 C ATOM 351 CE1 HIS A 23 10.010 33.421 32.896 1.00 0.00 C ATOM 352 NE2 HIS A 23 11.000 33.974 32.136 1.00 0.00 N ATOM 0 H HIS A 23 11.084 37.262 33.870 1.00 0.00 H new ATOM 0 HA HIS A 23 9.893 38.105 31.447 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.500 36.947 33.851 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.997 36.879 32.174 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.363 35.972 31.441 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.934 32.383 33.183 1.00 0.00 H new ATOM 0 HE2 HIS A 23 11.797 33.474 31.743 1.00 0.00 H new ATOM 360 N TRP A 24 9.021 39.743 34.154 1.00 0.00 N ATOM 361 CA TRP A 24 8.386 40.960 34.626 1.00 0.00 C ATOM 362 C TRP A 24 9.235 42.146 34.167 1.00 0.00 C ATOM 363 O TRP A 24 8.702 43.158 33.715 1.00 0.00 O ATOM 364 CB TRP A 24 8.184 40.920 36.143 1.00 0.00 C ATOM 365 CG TRP A 24 7.672 42.233 36.737 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.229 42.973 37.705 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.468 42.936 36.361 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.475 44.097 37.980 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.371 44.074 37.135 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.494 42.621 35.396 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.316 44.987 37.026 1.00 0.00 C ATOM 372 CZ3 TRP A 24 4.447 43.544 35.301 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.334 44.694 36.073 1.00 0.00 C ATOM 0 H TRP A 24 9.460 39.181 34.883 1.00 0.00 H new ATOM 0 HA TRP A 24 7.387 41.063 34.202 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.479 40.125 36.385 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.130 40.663 36.619 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.152 42.722 38.207 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.689 44.812 38.675 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.550 41.737 34.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.263 45.871 37.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.671 43.349 34.576 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.493 45.358 35.938 1.00 0.00 H new ATOM 384 N LEU A 25 10.544 41.983 34.302 1.00 0.00 N ATOM 385 CA LEU A 25 11.472 43.029 33.906 1.00 0.00 C ATOM 386 C LEU A 25 11.196 43.429 32.456 1.00 0.00 C ATOM 387 O LEU A 25 11.400 44.581 32.075 1.00 0.00 O ATOM 388 CB LEU A 25 12.915 42.587 34.158 1.00 0.00 C ATOM 389 CG LEU A 25 13.944 43.709 34.311 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.402 44.832 35.198 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.277 43.164 34.825 1.00 0.00 C ATOM 0 H LEU A 25 10.983 41.143 34.680 1.00 0.00 H new ATOM 0 HA LEU A 25 11.324 43.920 34.516 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.935 41.978 35.061 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.227 41.945 33.334 1.00 0.00 H new ATOM 0 HG LEU A 25 14.131 44.138 33.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.153 45.617 35.291 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.498 45.245 34.750 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.169 44.435 36.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.990 43.982 34.925 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.127 42.693 35.796 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.665 42.428 34.121 1.00 0.00 H new ATOM 403 N ASN A 26 10.735 42.455 31.684 1.00 0.00 N ATOM 404 CA ASN A 26 10.428 42.691 30.283 1.00 0.00 C ATOM 405 C ASN A 26 9.224 43.630 30.181 1.00 0.00 C ATOM 406 O ASN A 26 8.940 44.166 29.112 1.00 0.00 O ATOM 407 CB ASN A 26 10.073 41.385 29.570 1.00 0.00 C ATOM 408 CG ASN A 26 9.886 41.615 28.069 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.917 41.183 27.464 1.00 0.00 O ATOM 410 ND2 ASN A 26 10.864 42.316 27.503 1.00 0.00 N ATOM 0 H ASN A 26 10.567 41.501 32.002 1.00 0.00 H new ATOM 0 HA ASN A 26 11.308 43.130 29.813 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.862 40.651 29.734 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.159 40.971 29.995 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.832 42.522 26.505 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.646 42.648 28.067 1.00 0.00 H new ATOM 417 N PHE A 27 8.547 43.798 31.308 1.00 0.00 N ATOM 418 CA PHE A 27 7.380 44.661 31.358 1.00 0.00 C ATOM 419 C PHE A 27 7.678 45.940 32.143 1.00 0.00 C ATOM 420 O PHE A 27 7.158 47.008 31.818 1.00 0.00 O ATOM 421 CB PHE A 27 6.278 43.881 32.077 1.00 0.00 C ATOM 422 CG PHE A 27 4.860 44.297 31.677 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.459 45.586 31.834 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.001 43.375 31.164 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.144 45.973 31.462 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.686 43.761 30.793 1.00 0.00 C ATOM 427 CZ PHE A 27 2.285 45.051 30.950 1.00 0.00 C ATOM 0 H PHE A 27 8.785 43.351 32.193 1.00 0.00 H new ATOM 0 HA PHE A 27 7.084 44.946 30.348 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.406 42.818 31.871 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.395 44.014 33.153 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.141 46.317 32.242 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.319 42.350 31.039 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.827 46.998 31.585 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.004 43.030 30.386 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.284 45.343 30.668 1.00 0.00 H new ATOM 437 N LEU A 28 8.514 45.792 33.159 1.00 0.00 N ATOM 438 CA LEU A 28 8.887 46.923 33.994 1.00 0.00 C ATOM 439 C LEU A 28 9.817 47.846 33.205 1.00 0.00 C ATOM 440 O LEU A 28 9.925 49.032 33.512 1.00 0.00 O ATOM 441 CB LEU A 28 9.480 46.438 35.318 1.00 0.00 C ATOM 442 CG LEU A 28 9.549 47.475 36.441 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.185 48.130 36.667 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.108 46.858 37.725 1.00 0.00 C ATOM 0 H LEU A 28 8.945 44.906 33.424 1.00 0.00 H new ATOM 0 HA LEU A 28 8.007 47.508 34.261 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.891 45.591 35.668 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.488 46.069 35.128 1.00 0.00 H new ATOM 0 HG LEU A 28 10.238 48.262 36.136 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.262 48.863 37.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.864 48.627 35.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.456 47.367 36.940 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.146 47.617 38.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.464 46.039 38.045 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.113 46.478 37.539 1.00 0.00 H new ATOM 456 N GLN A 29 10.465 47.268 32.204 1.00 0.00 N ATOM 457 CA GLN A 29 11.381 48.026 31.369 1.00 0.00 C ATOM 458 C GLN A 29 10.608 49.002 30.480 1.00 0.00 C ATOM 459 O GLN A 29 10.822 50.211 30.547 1.00 0.00 O ATOM 460 CB GLN A 29 12.255 47.093 30.528 1.00 0.00 C ATOM 461 CG GLN A 29 13.711 47.132 30.997 1.00 0.00 C ATOM 462 CD GLN A 29 14.580 46.186 30.166 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.174 46.562 29.169 1.00 0.00 O ATOM 464 NE2 GLN A 29 14.622 44.941 30.632 1.00 0.00 N ATOM 0 H GLN A 29 10.374 46.284 31.953 1.00 0.00 H new ATOM 0 HA GLN A 29 12.040 48.602 32.018 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.875 46.074 30.596 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.199 47.385 29.479 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.095 48.149 30.917 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.766 46.852 32.049 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.100 44.693 31.473 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.176 44.234 30.149 1.00 0.00 H new ATOM 473 N ALA A 30 9.724 48.440 29.668 1.00 0.00 N ATOM 474 CA ALA A 30 8.917 49.246 28.768 1.00 0.00 C ATOM 475 C ALA A 30 8.176 50.315 29.573 1.00 0.00 C ATOM 476 O ALA A 30 7.982 51.433 29.096 1.00 0.00 O ATOM 477 CB ALA A 30 7.964 48.339 27.987 1.00 0.00 C ATOM 0 H ALA A 30 9.549 47.436 29.615 1.00 0.00 H new ATOM 0 HA ALA A 30 9.548 49.759 28.042 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.358 48.943 27.312 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.541 47.617 27.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.313 47.810 28.683 1.00 0.00 H new ATOM 483 N ALA A 31 7.783 49.936 30.780 1.00 0.00 N ATOM 484 CA ALA A 31 7.068 50.848 31.655 1.00 0.00 C ATOM 485 C ALA A 31 8.023 51.943 32.134 1.00 0.00 C ATOM 486 O ALA A 31 7.592 53.045 32.471 1.00 0.00 O ATOM 487 CB ALA A 31 6.451 50.065 32.815 1.00 0.00 C ATOM 0 H ALA A 31 7.947 49.009 31.172 1.00 0.00 H new ATOM 0 HA ALA A 31 6.252 51.333 31.119 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.914 50.750 33.472 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.758 49.320 32.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.240 49.566 33.378 1.00 0.00 H new ATOM 493 N TYR A 32 9.304 51.602 32.148 1.00 0.00 N ATOM 494 CA TYR A 32 10.323 52.543 32.579 1.00 0.00 C ATOM 495 C TYR A 32 10.753 53.453 31.427 1.00 0.00 C ATOM 496 O TYR A 32 11.358 54.500 31.651 1.00 0.00 O ATOM 497 CB TYR A 32 11.520 51.695 33.017 1.00 0.00 C ATOM 498 CG TYR A 32 11.987 51.969 34.448 1.00 0.00 C ATOM 499 CD1 TYR A 32 12.087 53.269 34.904 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.308 50.919 35.282 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.526 53.527 36.250 1.00 0.00 C ATOM 502 CE2 TYR A 32 12.748 51.177 36.628 1.00 0.00 C ATOM 503 CZ TYR A 32 12.834 52.468 37.046 1.00 0.00 C ATOM 504 OH TYR A 32 13.250 52.713 38.318 1.00 0.00 O ATOM 0 H TYR A 32 9.659 50.688 31.868 1.00 0.00 H new ATOM 0 HA TYR A 32 9.944 53.179 33.379 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.258 50.641 32.927 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.350 51.876 32.334 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.836 54.091 34.251 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.229 49.903 34.925 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.609 54.538 36.620 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.004 50.364 37.291 1.00 0.00 H new ATOM 0 HH TYR A 32 13.434 51.864 38.771 1.00 0.00 H new ATOM 514 N ARG A 33 10.423 53.020 30.219 1.00 0.00 N ATOM 515 CA ARG A 33 10.767 53.783 29.031 1.00 0.00 C ATOM 516 C ARG A 33 9.632 54.745 28.671 1.00 0.00 C ATOM 517 O ARG A 33 9.807 55.631 27.836 1.00 0.00 O ATOM 518 CB ARG A 33 11.039 52.859 27.842 1.00 0.00 C ATOM 519 CG ARG A 33 12.291 53.300 27.081 1.00 0.00 C ATOM 520 CD ARG A 33 12.141 54.731 26.562 1.00 0.00 C ATOM 521 NE ARG A 33 12.467 55.696 27.637 1.00 0.00 N ATOM 522 CZ ARG A 33 13.719 56.113 27.925 1.00 0.00 C ATOM 523 NH1 ARG A 33 14.774 55.653 27.219 1.00 0.00 N ATOM 524 NH2 ARG A 33 13.894 56.978 28.906 1.00 0.00 N ATOM 0 H ARG A 33 9.921 52.151 30.037 1.00 0.00 H new ATOM 0 HA ARG A 33 11.672 54.349 29.251 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.165 51.835 28.194 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.181 52.862 27.170 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.160 53.236 27.736 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.470 52.623 26.246 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.801 54.888 25.709 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.122 54.895 26.212 1.00 0.00 H new ATOM 0 HE ARG A 33 11.698 56.069 28.194 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.629 54.985 26.462 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.716 55.973 27.443 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.091 57.321 29.433 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.832 57.304 29.137 1.00 0.00 H new ATOM 537 N LEU A 34 8.496 54.537 29.319 1.00 0.00 N ATOM 538 CA LEU A 34 7.333 55.375 29.077 1.00 0.00 C ATOM 539 C LEU A 34 7.471 56.673 29.874 1.00 0.00 C ATOM 540 O LEU A 34 8.291 57.527 29.539 1.00 0.00 O ATOM 541 CB LEU A 34 6.046 54.603 29.377 1.00 0.00 C ATOM 542 CG LEU A 34 5.711 53.459 28.418 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.748 52.463 29.068 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.173 53.994 27.090 1.00 0.00 C ATOM 0 H LEU A 34 8.355 53.801 30.011 1.00 0.00 H new ATOM 0 HA LEU A 34 7.274 55.652 28.024 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.117 54.196 30.386 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.214 55.308 29.375 1.00 0.00 H new ATOM 0 HG LEU A 34 6.632 52.919 28.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.526 51.660 28.365 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.207 52.045 29.964 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.824 52.974 29.339 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.943 53.159 26.428 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.268 54.573 27.271 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.924 54.631 26.623 1.00 0.00 H new ATOM 665 N PHE A 43 1.023 50.327 37.895 1.00 0.00 N ATOM 666 CA PHE A 43 1.518 49.043 38.364 1.00 0.00 C ATOM 667 C PHE A 43 0.367 48.151 38.833 1.00 0.00 C ATOM 668 O PHE A 43 0.373 46.945 38.593 1.00 0.00 O ATOM 669 CB PHE A 43 2.443 49.325 39.548 1.00 0.00 C ATOM 670 CG PHE A 43 3.882 49.660 39.148 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.134 50.250 37.949 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.908 49.367 39.991 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.470 50.560 37.577 1.00 0.00 C ATOM 674 CE2 PHE A 43 6.243 49.677 39.619 1.00 0.00 C ATOM 675 CZ PHE A 43 6.495 50.267 38.420 1.00 0.00 C ATOM 0 HA PHE A 43 2.037 48.527 37.556 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.035 50.155 40.125 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.452 48.454 40.204 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.319 50.483 37.280 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.708 48.899 40.943 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.671 51.028 36.625 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.058 49.444 40.288 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.510 50.503 38.137 1.00 0.00 H new ATOM 685 N GLN A 44 -0.595 48.779 39.494 1.00 0.00 N ATOM 686 CA GLN A 44 -1.750 48.057 39.999 1.00 0.00 C ATOM 687 C GLN A 44 -2.608 47.549 38.839 1.00 0.00 C ATOM 688 O GLN A 44 -2.916 46.360 38.764 1.00 0.00 O ATOM 689 CB GLN A 44 -2.573 48.933 40.947 1.00 0.00 C ATOM 690 CG GLN A 44 -2.829 48.214 42.273 1.00 0.00 C ATOM 691 CD GLN A 44 -3.996 48.855 43.028 1.00 0.00 C ATOM 692 OE1 GLN A 44 -3.839 49.437 44.089 1.00 0.00 O ATOM 693 NE2 GLN A 44 -5.172 48.718 42.421 1.00 0.00 N ATOM 0 H GLN A 44 -0.598 49.780 39.691 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.396 47.197 40.567 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.046 49.869 41.132 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.523 49.189 40.479 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.047 47.163 42.085 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.930 48.248 42.889 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.233 48.219 41.534 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.013 49.112 42.843 1.00 0.00 H new ATOM 702 N GLN A 45 -2.969 48.475 37.962 1.00 0.00 N ATOM 703 CA GLN A 45 -3.785 48.136 36.809 1.00 0.00 C ATOM 704 C GLN A 45 -2.989 47.267 35.832 1.00 0.00 C ATOM 705 O GLN A 45 -3.539 46.765 34.853 1.00 0.00 O ATOM 706 CB GLN A 45 -4.310 49.396 36.119 1.00 0.00 C ATOM 707 CG GLN A 45 -3.156 50.272 35.626 1.00 0.00 C ATOM 708 CD GLN A 45 -3.680 51.489 34.861 1.00 0.00 C ATOM 709 OE1 GLN A 45 -3.386 52.629 35.181 1.00 0.00 O ATOM 710 NE2 GLN A 45 -4.469 51.185 33.835 1.00 0.00 N ATOM 0 H GLN A 45 -2.711 49.460 38.027 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.647 47.565 37.154 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.945 49.117 35.278 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.931 49.963 36.813 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.557 50.602 36.475 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.500 49.687 34.981 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.675 50.209 33.622 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.868 51.928 33.261 1.00 0.00 H new ATOM 719 N LEU A 46 -1.708 47.116 36.134 1.00 0.00 N ATOM 720 CA LEU A 46 -0.831 46.317 35.295 1.00 0.00 C ATOM 721 C LEU A 46 -0.757 44.894 35.854 1.00 0.00 C ATOM 722 O LEU A 46 -0.755 43.925 35.095 1.00 0.00 O ATOM 723 CB LEU A 46 0.534 46.992 35.150 1.00 0.00 C ATOM 724 CG LEU A 46 1.409 46.494 33.998 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.849 46.990 34.150 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.339 44.971 33.875 1.00 0.00 C ATOM 0 H LEU A 46 -1.256 47.533 36.948 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.233 46.244 34.284 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.376 48.063 35.023 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.084 46.859 36.082 1.00 0.00 H new ATOM 0 HG LEU A 46 1.020 46.911 33.069 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.450 46.622 33.319 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.860 48.080 34.152 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.264 46.622 35.088 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.970 44.643 33.049 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.688 44.515 34.801 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.309 44.668 33.687 1.00 0.00 H new ATOM 738 N ARG A 47 -0.695 44.813 37.174 1.00 0.00 N ATOM 739 CA ARG A 47 -0.620 43.525 37.842 1.00 0.00 C ATOM 740 C ARG A 47 -1.887 42.712 37.571 1.00 0.00 C ATOM 741 O ARG A 47 -1.885 41.490 37.708 1.00 0.00 O ATOM 742 CB ARG A 47 -0.448 43.698 39.353 1.00 0.00 C ATOM 743 CG ARG A 47 0.043 42.401 40.001 1.00 0.00 C ATOM 744 CD ARG A 47 -0.834 42.019 41.195 1.00 0.00 C ATOM 745 NE ARG A 47 0.015 41.595 42.331 1.00 0.00 N ATOM 746 CZ ARG A 47 0.899 42.401 42.957 1.00 0.00 C ATOM 747 NH1 ARG A 47 1.057 43.682 42.562 1.00 0.00 N ATOM 748 NH2 ARG A 47 1.606 41.918 43.961 1.00 0.00 N ATOM 0 H ARG A 47 -0.695 45.619 37.800 1.00 0.00 H new ATOM 0 HA ARG A 47 0.247 42.996 37.446 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.263 44.500 39.552 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.397 43.995 39.799 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.033 41.596 39.266 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.076 42.522 40.328 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.452 42.867 41.489 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.512 41.212 40.916 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.073 40.634 42.661 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.506 44.048 41.785 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.727 44.284 43.040 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.480 40.949 44.254 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.278 42.514 44.445 1.00 0.00 H new ATOM 761 N ARG A 48 -2.938 43.423 37.190 1.00 0.00 N ATOM 762 CA ARG A 48 -4.209 42.782 36.898 1.00 0.00 C ATOM 763 C ARG A 48 -4.122 42.004 35.583 1.00 0.00 C ATOM 764 O ARG A 48 -4.706 40.930 35.453 1.00 0.00 O ATOM 765 CB ARG A 48 -5.336 43.813 36.798 1.00 0.00 C ATOM 766 CG ARG A 48 -5.340 44.490 35.427 1.00 0.00 C ATOM 767 CD ARG A 48 -6.194 45.759 35.445 1.00 0.00 C ATOM 768 NE ARG A 48 -5.965 46.542 34.211 1.00 0.00 N ATOM 769 CZ ARG A 48 -6.634 47.671 33.894 1.00 0.00 C ATOM 770 NH1 ARG A 48 -7.581 48.160 34.722 1.00 0.00 N ATOM 771 NH2 ARG A 48 -6.347 48.290 32.764 1.00 0.00 N ATOM 0 H ARG A 48 -2.936 44.437 37.077 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.430 42.096 37.716 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.296 43.326 36.970 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.216 44.565 37.578 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.319 44.738 35.137 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.725 43.799 34.677 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.249 45.496 35.528 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.946 46.361 36.319 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.256 46.208 33.558 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.795 47.676 35.594 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.082 49.014 34.476 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.629 47.914 32.145 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.843 49.144 32.510 1.00 0.00 H new ATOM 784 N PHE A 49 -3.386 42.578 34.642 1.00 0.00 N ATOM 785 CA PHE A 49 -3.215 41.952 33.341 1.00 0.00 C ATOM 786 C PHE A 49 -2.397 40.664 33.456 1.00 0.00 C ATOM 787 O PHE A 49 -2.643 39.701 32.731 1.00 0.00 O ATOM 788 CB PHE A 49 -2.455 42.947 32.463 1.00 0.00 C ATOM 789 CG PHE A 49 -2.088 42.404 31.081 1.00 0.00 C ATOM 790 CD1 PHE A 49 -3.065 41.971 30.239 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.785 42.353 30.693 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.724 41.467 28.956 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.445 41.849 29.410 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.422 41.416 28.568 1.00 0.00 C ATOM 0 H PHE A 49 -2.902 43.469 34.754 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.187 41.697 32.920 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.061 43.844 32.340 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.542 43.247 32.978 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.100 42.011 30.546 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.009 42.696 31.361 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.500 41.124 28.288 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.589 41.809 29.102 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.163 41.032 27.592 1.00 0.00 H new ATOM 804 N LEU A 50 -1.442 40.687 34.373 1.00 0.00 N ATOM 805 CA LEU A 50 -0.587 39.533 34.593 1.00 0.00 C ATOM 806 C LEU A 50 -1.398 38.422 35.264 1.00 0.00 C ATOM 807 O LEU A 50 -1.408 37.286 34.795 1.00 0.00 O ATOM 808 CB LEU A 50 0.667 39.936 35.373 1.00 0.00 C ATOM 809 CG LEU A 50 1.457 41.118 34.808 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.235 41.835 35.913 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.368 40.672 33.662 1.00 0.00 C ATOM 0 H LEU A 50 -1.241 41.487 34.973 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.230 39.137 33.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.374 40.176 36.395 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.331 39.073 35.426 1.00 0.00 H new ATOM 0 HG LEU A 50 0.749 41.836 34.395 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.788 42.671 35.485 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.539 42.207 36.665 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.933 41.138 36.377 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.918 41.532 33.279 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.072 39.924 34.027 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.764 40.242 32.863 1.00 0.00 H new ATOM 823 N LYS A 51 -2.059 38.791 36.351 1.00 0.00 N ATOM 824 CA LYS A 51 -2.871 37.841 37.091 1.00 0.00 C ATOM 825 C LYS A 51 -3.875 37.185 36.140 1.00 0.00 C ATOM 826 O LYS A 51 -4.324 36.066 36.381 1.00 0.00 O ATOM 827 CB LYS A 51 -3.520 38.518 38.300 1.00 0.00 C ATOM 828 CG LYS A 51 -3.136 37.805 39.599 1.00 0.00 C ATOM 829 CD LYS A 51 -1.708 38.160 40.017 1.00 0.00 C ATOM 830 CE LYS A 51 -1.382 37.589 41.398 1.00 0.00 C ATOM 831 NZ LYS A 51 0.080 37.584 41.627 1.00 0.00 N ATOM 0 H LYS A 51 -2.049 39.735 36.737 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.249 37.044 37.498 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.208 39.561 38.348 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.604 38.514 38.185 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.831 38.085 40.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.222 36.727 39.466 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.003 37.770 39.283 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.588 39.243 40.030 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.874 38.182 42.168 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.772 36.574 41.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.282 37.193 42.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.543 36.999 40.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.444 38.557 41.570 1.00 0.00 H new ATOM 844 N LEU A 52 -4.199 37.912 35.081 1.00 0.00 N ATOM 845 CA LEU A 52 -5.142 37.416 34.093 1.00 0.00 C ATOM 846 C LEU A 52 -4.504 36.258 33.322 1.00 0.00 C ATOM 847 O LEU A 52 -5.053 35.158 33.282 1.00 0.00 O ATOM 848 CB LEU A 52 -5.630 38.556 33.197 1.00 0.00 C ATOM 849 CG LEU A 52 -6.436 38.143 31.964 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.273 39.310 31.440 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.522 37.562 30.882 1.00 0.00 C ATOM 0 H LEU A 52 -3.825 38.841 34.885 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.033 37.022 34.582 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.243 39.227 33.799 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.763 39.127 32.865 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.130 37.356 32.257 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.836 38.989 30.563 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.965 39.639 32.215 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.616 40.135 31.167 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.119 37.276 30.016 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.788 38.311 30.585 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.007 36.685 31.273 1.00 0.00 H new ATOM 863 N ALA A 53 -3.355 36.546 32.730 1.00 0.00 N ATOM 864 CA ALA A 53 -2.636 35.542 31.963 1.00 0.00 C ATOM 865 C ALA A 53 -2.327 34.344 32.862 1.00 0.00 C ATOM 866 O ALA A 53 -2.294 33.206 32.396 1.00 0.00 O ATOM 867 CB ALA A 53 -1.372 36.164 31.365 1.00 0.00 C ATOM 0 H ALA A 53 -2.903 37.460 32.766 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.246 35.183 31.134 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.833 35.411 30.790 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.648 36.991 30.711 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.734 36.533 32.168 1.00 0.00 H new ATOM 873 N LEU A 54 -2.107 34.641 34.134 1.00 0.00 N ATOM 874 CA LEU A 54 -1.802 33.601 35.103 1.00 0.00 C ATOM 875 C LEU A 54 -2.991 32.644 35.210 1.00 0.00 C ATOM 876 O LEU A 54 -2.870 31.559 35.776 1.00 0.00 O ATOM 877 CB LEU A 54 -1.389 34.220 36.440 1.00 0.00 C ATOM 878 CG LEU A 54 -0.035 33.773 36.995 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.026 33.740 35.893 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.391 34.651 38.173 1.00 0.00 C ATOM 0 H LEU A 54 -2.134 35.586 34.517 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.947 33.011 34.772 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.373 35.304 36.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.157 33.988 37.178 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.140 32.756 37.372 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.979 33.419 36.315 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.720 33.041 35.114 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.136 34.736 35.464 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.356 34.312 38.549 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.473 35.687 37.844 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.353 34.580 38.967 1.00 0.00 H new ATOM 892 N LYS A 55 -4.114 33.081 34.657 1.00 0.00 N ATOM 893 CA LYS A 55 -5.323 32.278 34.683 1.00 0.00 C ATOM 894 C LYS A 55 -5.177 31.111 33.704 1.00 0.00 C ATOM 895 O LYS A 55 -6.053 30.251 33.620 1.00 0.00 O ATOM 896 CB LYS A 55 -6.552 33.150 34.421 1.00 0.00 C ATOM 897 CG LYS A 55 -7.818 32.498 34.982 1.00 0.00 C ATOM 898 CD LYS A 55 -9.009 33.455 34.904 1.00 0.00 C ATOM 899 CE LYS A 55 -10.329 32.704 35.081 1.00 0.00 C ATOM 900 NZ LYS A 55 -11.247 33.467 35.954 1.00 0.00 N ATOM 0 H LYS A 55 -4.211 33.982 34.188 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.472 31.847 35.673 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.411 34.130 34.877 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.666 33.311 33.349 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.041 31.589 34.424 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.651 32.203 36.018 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.916 34.220 35.675 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.005 33.969 33.943 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.794 32.541 34.109 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.140 31.721 35.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.138 32.942 36.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.808 33.601 36.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.442 34.395 35.526 1.00 0.00 H new ATOM 913 N THR A 56 -4.062 31.118 32.987 1.00 0.00 N ATOM 914 CA THR A 56 -3.789 30.071 32.018 1.00 0.00 C ATOM 915 C THR A 56 -2.281 29.873 31.858 1.00 0.00 C ATOM 916 O THR A 56 -1.632 30.595 31.102 1.00 0.00 O ATOM 917 CB THR A 56 -4.495 30.441 30.711 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.286 29.310 29.871 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.798 31.587 29.974 1.00 0.00 C ATOM 0 H THR A 56 -3.338 31.833 33.058 1.00 0.00 H new ATOM 0 HA THR A 56 -4.178 29.110 32.354 1.00 0.00 H new ATOM 0 HB THR A 56 -5.527 30.720 30.922 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.841 29.392 29.068 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.339 31.810 29.054 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.783 32.472 30.610 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.776 31.296 29.733 1.00 0.00 H new ATOM 927 N PRO A 57 -1.752 28.864 32.601 1.00 0.00 N ATOM 928 CA PRO A 57 -0.332 28.561 32.549 1.00 0.00 C ATOM 929 C PRO A 57 0.027 27.838 31.250 1.00 0.00 C ATOM 930 O PRO A 57 0.369 26.657 31.266 1.00 0.00 O ATOM 931 CB PRO A 57 -0.063 27.723 33.788 1.00 0.00 C ATOM 932 CG PRO A 57 -1.417 27.199 34.239 1.00 0.00 C ATOM 933 CD PRO A 57 -2.490 27.988 33.506 1.00 0.00 C ATOM 0 HA PRO A 57 0.289 29.457 32.547 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.618 26.902 33.564 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.405 28.321 34.570 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.507 26.135 34.018 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.530 27.312 35.317 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.162 27.328 32.958 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.103 28.562 34.200 1.00 0.00 H new ATOM 941 N ILE A 58 -0.062 28.577 30.154 1.00 0.00 N ATOM 942 CA ILE A 58 0.249 28.022 28.848 1.00 0.00 C ATOM 943 C ILE A 58 1.397 28.816 28.221 1.00 0.00 C ATOM 944 O ILE A 58 2.092 28.315 27.338 1.00 0.00 O ATOM 945 CB ILE A 58 -1.008 27.966 27.977 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.685 28.327 26.525 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.115 28.849 28.553 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.238 27.282 25.892 1.00 0.00 C ATOM 0 H ILE A 58 -0.345 29.557 30.144 1.00 0.00 H new ATOM 0 HA ILE A 58 0.589 26.991 28.943 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.380 26.941 27.980 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.608 28.398 25.950 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.210 29.307 26.487 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.996 28.790 27.914 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.370 28.505 29.556 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.769 29.882 28.600 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.452 27.562 24.861 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.170 27.231 26.455 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.250 26.307 25.909 1.00 0.00 H new ATOM 960 N TRP A 59 1.560 30.038 28.703 1.00 0.00 N ATOM 961 CA TRP A 59 2.613 30.906 28.201 1.00 0.00 C ATOM 962 C TRP A 59 3.827 30.756 29.120 1.00 0.00 C ATOM 963 O TRP A 59 4.957 31.017 28.708 1.00 0.00 O ATOM 964 CB TRP A 59 2.124 32.351 28.088 1.00 0.00 C ATOM 965 CG TRP A 59 1.305 32.827 29.289 1.00 0.00 C ATOM 966 CD1 TRP A 59 0.018 32.571 29.564 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.771 33.658 30.373 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.377 33.173 30.741 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.723 33.855 31.249 1.00 0.00 C ATOM 970 CE3 TRP A 59 3.036 34.225 30.606 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.833 34.620 32.416 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.130 34.986 31.778 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.084 35.193 32.670 1.00 0.00 C ATOM 0 H TRP A 59 0.981 30.449 29.436 1.00 0.00 H new ATOM 0 HA TRP A 59 2.903 30.617 27.191 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.986 33.007 27.966 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.519 32.449 27.187 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.628 31.969 28.942 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.305 33.126 31.161 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.870 34.085 29.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.003 34.761 33.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.081 35.444 32.005 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.236 35.793 33.555 1.00 0.00 H new ATOM 984 N LEU A 60 3.554 30.336 30.346 1.00 0.00 N ATOM 985 CA LEU A 60 4.611 30.148 31.325 1.00 0.00 C ATOM 986 C LEU A 60 5.499 28.980 30.893 1.00 0.00 C ATOM 987 O LEU A 60 6.712 29.134 30.761 1.00 0.00 O ATOM 988 CB LEU A 60 4.018 29.984 32.727 1.00 0.00 C ATOM 989 CG LEU A 60 4.400 31.059 33.746 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.479 32.438 33.086 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.442 31.049 34.939 1.00 0.00 C ATOM 0 H LEU A 60 2.616 30.120 30.684 1.00 0.00 H new ATOM 0 HA LEU A 60 5.248 31.031 31.373 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.932 29.963 32.640 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.325 29.014 33.119 1.00 0.00 H new ATOM 0 HG LEU A 60 5.394 30.828 34.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.752 33.184 33.833 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.231 32.421 32.297 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.510 32.692 32.657 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.736 31.823 35.648 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.427 31.242 34.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.480 30.075 35.428 1.00 0.00 H new ATOM 1003 N ASN A 61 4.861 27.839 30.683 1.00 0.00 N ATOM 1004 CA ASN A 61 5.579 26.645 30.268 1.00 0.00 C ATOM 1005 C ASN A 61 6.557 27.007 29.148 1.00 0.00 C ATOM 1006 O ASN A 61 7.765 26.835 29.295 1.00 0.00 O ATOM 1007 CB ASN A 61 4.618 25.582 29.732 1.00 0.00 C ATOM 1008 CG ASN A 61 4.636 24.331 30.611 1.00 0.00 C ATOM 1009 OD1 ASN A 61 3.705 24.040 31.343 1.00 0.00 O ATOM 1010 ND2 ASN A 61 5.748 23.610 30.500 1.00 0.00 N ATOM 0 H ASN A 61 3.854 27.715 30.792 1.00 0.00 H new ATOM 0 HA ASN A 61 6.105 26.249 31.137 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.607 25.988 29.692 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.896 25.317 28.712 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.859 22.756 31.047 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.490 23.911 29.868 1.00 0.00 H new ATOM 1017 N PRO A 62 5.981 27.515 28.025 1.00 0.00 N ATOM 1018 CA PRO A 62 6.789 27.903 26.881 1.00 0.00 C ATOM 1019 C PRO A 62 7.518 29.221 27.145 1.00 0.00 C ATOM 1020 O PRO A 62 8.401 29.610 26.383 1.00 0.00 O ATOM 1021 CB PRO A 62 5.810 27.987 25.720 1.00 0.00 C ATOM 1022 CG PRO A 62 4.430 28.100 26.345 1.00 0.00 C ATOM 1023 CD PRO A 62 4.553 27.733 27.816 1.00 0.00 C ATOM 0 HA PRO A 62 7.583 27.189 26.665 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.025 28.850 25.090 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.880 27.103 25.086 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.043 29.113 26.235 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.728 27.434 25.843 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.176 28.531 28.456 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.977 26.838 28.050 1.00 0.00 H new ATOM 1031 N ILE A 63 7.121 29.872 28.228 1.00 0.00 N ATOM 1032 CA ILE A 63 7.726 31.139 28.603 1.00 0.00 C ATOM 1033 C ILE A 63 8.016 31.954 27.340 1.00 0.00 C ATOM 1034 O ILE A 63 9.104 31.860 26.774 1.00 0.00 O ATOM 1035 CB ILE A 63 8.956 30.906 29.482 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.525 32.233 29.992 1.00 0.00 C ATOM 1037 CG2 ILE A 63 10.009 30.077 28.743 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.408 33.153 30.490 1.00 0.00 C ATOM 0 H ILE A 63 6.388 29.546 28.858 1.00 0.00 H new ATOM 0 HA ILE A 63 7.037 31.726 29.210 1.00 0.00 H new ATOM 0 HB ILE A 63 8.648 30.331 30.355 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.232 32.043 30.800 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.079 32.727 29.193 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.873 29.926 29.390 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.586 29.110 28.471 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.319 30.604 27.841 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.839 34.088 30.847 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.716 33.360 29.674 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.872 32.666 31.305 1.00 0.00 H new ATOM 1050 N ASP A 64 7.025 32.735 26.937 1.00 0.00 N ATOM 1051 CA ASP A 64 7.161 33.566 25.753 1.00 0.00 C ATOM 1052 C ASP A 64 6.168 34.726 25.833 1.00 0.00 C ATOM 1053 O ASP A 64 4.957 34.510 25.865 1.00 0.00 O ATOM 1054 CB ASP A 64 6.857 32.768 24.484 1.00 0.00 C ATOM 1055 CG ASP A 64 7.984 31.846 24.013 1.00 0.00 C ATOM 1056 OD1 ASP A 64 9.173 32.154 24.182 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.596 30.757 23.442 1.00 0.00 O ATOM 0 H ASP A 64 6.124 32.810 27.409 1.00 0.00 H new ATOM 0 HA ASP A 64 8.187 33.931 25.712 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.964 32.167 24.656 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.621 33.467 23.682 1.00 0.00 H new ATOM 1063 N TYR A 65 6.715 35.932 25.861 1.00 0.00 N ATOM 1064 CA TYR A 65 5.892 37.127 25.935 1.00 0.00 C ATOM 1065 C TYR A 65 5.043 37.287 24.673 1.00 0.00 C ATOM 1066 O TYR A 65 4.163 38.145 24.617 1.00 0.00 O ATOM 1067 CB TYR A 65 6.865 38.304 26.034 1.00 0.00 C ATOM 1068 CG TYR A 65 6.309 39.508 26.797 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.352 40.312 26.212 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.763 39.790 28.069 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.829 41.446 26.929 1.00 0.00 C ATOM 1072 CE2 TYR A 65 6.240 40.924 28.786 1.00 0.00 C ATOM 1073 CZ TYR A 65 5.299 41.696 28.181 1.00 0.00 C ATOM 1074 OH TYR A 65 4.804 42.766 28.859 1.00 0.00 O ATOM 0 H TYR A 65 7.719 36.108 25.834 1.00 0.00 H new ATOM 0 HA TYR A 65 5.213 37.073 26.786 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.779 37.967 26.524 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.141 38.620 25.028 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.995 40.091 25.217 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.511 39.160 28.527 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.080 42.084 26.483 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.588 41.156 29.782 1.00 0.00 H new ATOM 0 HH TYR A 65 4.040 42.483 29.403 1.00 0.00 H new ATOM 1084 N SER A 66 5.336 36.448 23.690 1.00 0.00 N ATOM 1085 CA SER A 66 4.611 36.485 22.431 1.00 0.00 C ATOM 1086 C SER A 66 3.158 36.060 22.653 1.00 0.00 C ATOM 1087 O SER A 66 2.252 36.565 21.991 1.00 0.00 O ATOM 1088 CB SER A 66 5.274 35.586 21.387 1.00 0.00 C ATOM 1089 OG SER A 66 5.541 34.282 21.896 1.00 0.00 O ATOM 0 H SER A 66 6.066 35.738 23.740 1.00 0.00 H new ATOM 0 HA SER A 66 4.631 37.508 22.054 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.628 35.508 20.513 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.206 36.043 21.055 1.00 0.00 H new ATOM 0 HG SER A 66 5.963 33.738 21.198 1.00 0.00 H new ATOM 1095 N LEU A 67 2.980 35.135 23.585 1.00 0.00 N ATOM 1096 CA LEU A 67 1.653 34.636 23.901 1.00 0.00 C ATOM 1097 C LEU A 67 0.934 35.644 24.799 1.00 0.00 C ATOM 1098 O LEU A 67 -0.289 35.611 24.921 1.00 0.00 O ATOM 1099 CB LEU A 67 1.738 33.230 24.498 1.00 0.00 C ATOM 1100 CG LEU A 67 0.402 32.544 24.788 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.599 31.049 25.053 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.333 33.237 25.938 1.00 0.00 C ATOM 0 H LEU A 67 3.734 34.718 24.132 1.00 0.00 H new ATOM 0 HA LEU A 67 1.057 34.536 22.994 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.307 32.600 23.814 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.305 33.285 25.427 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.227 32.635 23.902 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.366 30.585 25.256 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.049 30.581 24.178 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.254 30.915 25.914 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.280 32.729 26.123 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.281 33.199 26.838 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.525 34.277 25.673 1.00 0.00 H new ATOM 1114 N LEU A 68 1.725 36.516 25.406 1.00 0.00 N ATOM 1115 CA LEU A 68 1.180 37.533 26.290 1.00 0.00 C ATOM 1116 C LEU A 68 0.391 38.550 25.465 1.00 0.00 C ATOM 1117 O LEU A 68 -0.815 38.707 25.654 1.00 0.00 O ATOM 1118 CB LEU A 68 2.290 38.157 27.138 1.00 0.00 C ATOM 1119 CG LEU A 68 2.376 37.679 28.588 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.286 38.590 29.414 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.983 37.548 29.206 1.00 0.00 C ATOM 0 H LEU A 68 2.740 36.540 25.303 1.00 0.00 H new ATOM 0 HA LEU A 68 0.482 37.087 26.999 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.246 37.957 26.653 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.154 39.238 27.140 1.00 0.00 H new ATOM 0 HG LEU A 68 2.825 36.686 28.593 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.329 38.227 30.441 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.288 38.588 28.986 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.890 39.605 29.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.073 37.207 30.237 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.484 38.517 29.187 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.398 36.827 28.635 1.00 0.00 H new ATOM 1133 N ALA A 69 1.102 39.216 24.567 1.00 0.00 N ATOM 1134 CA ALA A 69 0.483 40.214 23.713 1.00 0.00 C ATOM 1135 C ALA A 69 -0.729 39.598 23.010 1.00 0.00 C ATOM 1136 O ALA A 69 -1.617 40.315 22.551 1.00 0.00 O ATOM 1137 CB ALA A 69 1.518 40.752 22.722 1.00 0.00 C ATOM 0 H ALA A 69 2.102 39.083 24.413 1.00 0.00 H new ATOM 0 HA ALA A 69 0.128 41.057 24.305 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.053 41.501 22.081 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.345 41.205 23.269 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.895 39.933 22.109 1.00 0.00 H new ATOM 1143 N SER A 70 -0.728 38.274 22.950 1.00 0.00 N ATOM 1144 CA SER A 70 -1.815 37.552 22.313 1.00 0.00 C ATOM 1145 C SER A 70 -3.056 37.580 23.207 1.00 0.00 C ATOM 1146 O SER A 70 -4.174 37.744 22.721 1.00 0.00 O ATOM 1147 CB SER A 70 -1.414 36.109 22.005 1.00 0.00 C ATOM 1148 OG SER A 70 -2.413 35.426 21.251 1.00 0.00 O ATOM 0 H SER A 70 0.010 37.683 23.333 1.00 0.00 H new ATOM 0 HA SER A 70 -2.045 38.044 21.368 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.475 36.104 21.451 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.236 35.575 22.938 1.00 0.00 H new ATOM 0 HG SER A 70 -2.119 34.508 21.073 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.819 37.417 24.500 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.903 37.421 25.467 1.00 0.00 C ATOM 1156 C LEU A 71 -4.658 38.747 25.375 1.00 0.00 C ATOM 1157 O LEU A 71 -5.888 38.770 25.414 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.372 37.112 26.869 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.804 35.772 27.469 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.636 34.785 27.504 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.430 35.968 28.852 1.00 0.00 C ATOM 0 H LEU A 71 -1.891 37.281 24.901 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.618 36.630 25.240 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.283 37.139 26.838 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.692 37.908 27.541 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.571 35.341 26.826 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.970 33.841 27.935 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.274 34.613 26.490 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.830 35.196 28.112 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.729 35.001 29.257 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.702 36.431 29.518 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.306 36.612 28.767 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.892 39.821 25.253 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.474 41.148 25.154 1.00 0.00 C ATOM 1175 C ILE A 72 -5.682 41.103 24.216 1.00 0.00 C ATOM 1176 O ILE A 72 -5.524 41.080 22.996 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.412 42.170 24.740 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.244 42.178 25.729 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.027 43.560 24.568 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.308 43.357 25.462 1.00 0.00 C ATOM 0 H ILE A 72 -2.873 39.799 25.220 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.838 41.477 26.127 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.011 41.873 23.771 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.626 42.236 26.748 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.689 41.243 25.649 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.251 44.267 24.274 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.797 43.524 23.797 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.472 43.880 25.510 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.487 43.339 26.179 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.909 43.283 24.451 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.860 44.291 25.566 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.892 41.092 24.836 1.00 0.00 N ATOM 1193 CA PRO A 73 -8.125 41.050 24.071 1.00 0.00 C ATOM 1194 C PRO A 73 -8.425 42.410 23.438 1.00 0.00 C ATOM 1195 O PRO A 73 -8.680 43.384 24.142 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.190 40.609 25.063 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.607 40.871 26.442 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.116 41.119 26.279 1.00 0.00 C ATOM 0 HA PRO A 73 -8.073 40.359 23.229 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.115 41.167 24.917 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.431 39.554 24.935 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.089 41.733 26.903 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.783 40.019 27.099 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.825 42.078 26.707 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.529 40.353 26.785 1.00 0.00 H new ATOM 1206 N LYS A 74 -8.383 42.432 22.113 1.00 0.00 N ATOM 1207 CA LYS A 74 -8.647 43.657 21.377 1.00 0.00 C ATOM 1208 C LYS A 74 -8.058 44.843 22.141 1.00 0.00 C ATOM 1209 O LYS A 74 -8.743 45.838 22.375 1.00 0.00 O ATOM 1210 CB LYS A 74 -10.142 43.795 21.084 1.00 0.00 C ATOM 1211 CG LYS A 74 -10.376 44.422 19.708 1.00 0.00 C ATOM 1212 CD LYS A 74 -11.871 44.541 19.407 1.00 0.00 C ATOM 1213 CE LYS A 74 -12.104 45.034 17.977 1.00 0.00 C ATOM 1214 NZ LYS A 74 -13.055 44.147 17.271 1.00 0.00 N ATOM 0 H LYS A 74 -8.170 41.622 21.531 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.157 43.629 20.404 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.616 42.815 21.126 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.611 44.410 21.852 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.914 45.409 19.671 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.894 43.815 18.941 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.352 43.572 19.545 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.334 45.230 20.113 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.493 46.052 17.996 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.157 45.064 17.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.202 44.496 16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.669 43.182 17.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.963 44.139 17.777 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.793 44.700 22.511 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.104 45.747 23.245 1.00 0.00 C ATOM 1229 C GLY A 75 -6.814 46.049 24.566 1.00 0.00 C ATOM 1230 O GLY A 75 -8.001 46.370 24.579 1.00 0.00 O ATOM 0 H GLY A 75 -6.228 43.874 22.316 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.076 45.442 23.442 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.057 46.651 22.638 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.056 45.934 25.648 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.597 46.189 26.971 1.00 0.00 C ATOM 1236 C TYR A 76 -6.563 47.684 27.298 1.00 0.00 C ATOM 1237 O TYR A 76 -6.006 48.476 26.540 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.688 45.445 27.950 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.424 44.450 28.850 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.503 43.742 28.359 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.010 44.261 30.153 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.195 42.806 29.206 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.702 43.325 31.000 1.00 0.00 C ATOM 1244 CZ TYR A 76 -7.761 42.643 30.485 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.415 41.759 31.285 1.00 0.00 O ATOM 0 H TYR A 76 -5.072 45.668 25.634 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.634 45.859 27.031 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.923 44.912 27.386 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.173 46.173 28.576 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.828 43.890 27.340 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.167 44.815 30.537 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.040 42.246 28.834 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.388 43.168 32.021 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.983 41.179 30.736 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.183 48.033 28.457 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.230 49.418 28.894 1.00 0.00 C ATOM 1257 C PRO A 77 -5.874 49.865 29.445 1.00 0.00 C ATOM 1258 O PRO A 77 -4.877 49.160 29.295 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.338 49.467 29.933 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.556 48.029 30.377 1.00 0.00 C ATOM 1261 CD PRO A 77 -7.855 47.122 29.379 1.00 0.00 C ATOM 0 HA PRO A 77 -7.438 50.109 28.077 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.056 50.098 30.776 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.251 49.888 29.511 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.157 47.874 31.379 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.621 47.800 30.419 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.142 46.464 29.875 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.567 46.484 28.856 1.00 0.00 H new ATOM 1269 N GLY A 78 -5.880 51.033 30.070 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.664 51.583 30.643 1.00 0.00 C ATOM 1271 C GLY A 78 -3.508 51.518 29.642 1.00 0.00 C ATOM 1272 O GLY A 78 -3.712 51.192 28.473 1.00 0.00 O ATOM 0 H GLY A 78 -6.709 51.614 30.192 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.834 52.618 30.941 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.400 51.030 31.545 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.321 51.836 30.136 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.133 51.818 29.300 1.00 0.00 C ATOM 1278 C ARG A 79 -0.432 50.462 29.401 1.00 0.00 C ATOM 1279 O ARG A 79 0.749 50.344 29.077 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.155 52.921 29.709 1.00 0.00 C ATOM 1281 CG ARG A 79 -0.826 54.296 29.655 1.00 0.00 C ATOM 1282 CD ARG A 79 -1.077 54.839 31.064 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.368 56.289 31.002 1.00 0.00 N ATOM 1284 CZ ARG A 79 -1.779 57.023 32.057 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -1.950 56.449 33.268 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -2.011 58.311 31.889 1.00 0.00 N ATOM 0 H ARG A 79 -2.156 52.108 31.105 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.450 51.991 28.271 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.212 52.731 30.717 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.711 52.908 29.047 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.195 54.991 29.100 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.770 54.223 29.116 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.913 54.311 31.523 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.204 54.661 31.692 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.251 56.763 30.106 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.768 55.453 33.390 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.261 57.012 34.060 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.879 58.738 30.972 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.322 58.880 32.676 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.189 49.472 29.851 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.656 48.129 29.999 1.00 0.00 C ATOM 1301 C VAL A 80 -0.101 47.654 28.655 1.00 0.00 C ATOM 1302 O VAL A 80 0.961 47.036 28.600 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.730 47.198 30.565 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -2.016 46.042 29.604 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -1.331 46.676 31.947 1.00 0.00 C ATOM 0 H VAL A 80 -2.168 49.574 30.118 1.00 0.00 H new ATOM 0 HA VAL A 80 0.169 48.122 30.712 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.648 47.775 30.677 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.783 45.395 30.031 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.365 46.439 28.651 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.104 45.467 29.445 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.112 46.017 32.326 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.395 46.123 31.871 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.202 47.516 32.630 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.845 47.962 27.602 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.443 47.574 26.261 1.00 0.00 C ATOM 1317 C VAL A 81 0.730 48.448 25.814 1.00 0.00 C ATOM 1318 O VAL A 81 1.665 47.962 25.179 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.640 47.648 25.312 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.258 47.174 23.909 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.823 46.846 25.859 1.00 0.00 C ATOM 0 H VAL A 81 -1.725 48.476 27.651 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.102 46.539 26.249 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.947 48.691 25.240 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.127 47.237 23.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.461 47.806 23.516 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.913 46.141 23.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.661 46.915 25.165 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.532 45.802 25.974 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.119 47.249 26.827 1.00 0.00 H new ATOM 1331 N GLU A 82 0.642 49.724 26.160 1.00 0.00 N ATOM 1332 CA GLU A 82 1.685 50.670 25.802 1.00 0.00 C ATOM 1333 C GLU A 82 3.037 50.203 26.344 1.00 0.00 C ATOM 1334 O GLU A 82 4.081 50.520 25.776 1.00 0.00 O ATOM 1335 CB GLU A 82 1.347 52.075 26.309 1.00 0.00 C ATOM 1336 CG GLU A 82 1.249 53.066 25.148 1.00 0.00 C ATOM 1337 CD GLU A 82 2.506 53.935 25.061 1.00 0.00 C ATOM 1338 OE1 GLU A 82 3.554 53.463 24.595 1.00 0.00 O ATOM 1339 OE2 GLU A 82 2.367 55.141 25.497 1.00 0.00 O ATOM 0 H GLU A 82 -0.136 50.125 26.685 1.00 0.00 H new ATOM 0 HA GLU A 82 1.749 50.715 24.715 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.403 52.052 26.853 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.112 52.406 27.011 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.112 52.523 24.213 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.372 53.700 25.280 1.00 0.00 H new ATOM 1347 N ILE A 83 2.973 49.454 27.436 1.00 0.00 N ATOM 1348 CA ILE A 83 4.180 48.939 28.061 1.00 0.00 C ATOM 1349 C ILE A 83 4.608 47.653 27.351 1.00 0.00 C ATOM 1350 O ILE A 83 5.715 47.162 27.562 1.00 0.00 O ATOM 1351 CB ILE A 83 3.973 48.770 29.568 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.424 50.054 30.192 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.261 48.306 30.249 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.483 49.738 31.357 1.00 0.00 C ATOM 0 H ILE A 83 2.105 49.192 27.903 1.00 0.00 H new ATOM 0 HA ILE A 83 4.998 49.651 27.953 1.00 0.00 H new ATOM 0 HB ILE A 83 3.227 47.991 29.726 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.249 50.673 30.544 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.892 50.631 29.436 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.087 48.194 31.319 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.570 47.349 29.829 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.046 49.044 30.085 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.106 50.668 31.783 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.647 49.139 30.997 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.025 49.182 32.122 1.00 0.00 H new ATOM 1366 N ILE A 84 3.706 47.144 26.524 1.00 0.00 N ATOM 1367 CA ILE A 84 3.975 45.925 25.781 1.00 0.00 C ATOM 1368 C ILE A 84 4.316 46.280 24.333 1.00 0.00 C ATOM 1369 O ILE A 84 5.154 45.629 23.711 1.00 0.00 O ATOM 1370 CB ILE A 84 2.808 44.945 25.917 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.556 44.593 27.385 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.036 43.699 25.060 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.345 43.669 27.527 1.00 0.00 C ATOM 0 H ILE A 84 2.788 47.554 26.352 1.00 0.00 H new ATOM 0 HA ILE A 84 4.842 45.410 26.195 1.00 0.00 H new ATOM 0 HB ILE A 84 1.907 45.432 25.543 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.438 44.109 27.803 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.391 45.505 27.958 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.192 43.019 25.175 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.128 43.989 24.013 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.951 43.200 25.380 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.188 43.434 28.580 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.460 44.166 27.130 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.523 42.748 26.973 1.00 0.00 H new ATOM 1385 N ASN A 85 3.645 47.309 23.837 1.00 0.00 N ATOM 1386 CA ASN A 85 3.866 47.758 22.472 1.00 0.00 C ATOM 1387 C ASN A 85 5.333 48.155 22.300 1.00 0.00 C ATOM 1388 O ASN A 85 5.864 48.123 21.192 1.00 0.00 O ATOM 1389 CB ASN A 85 3.005 48.980 22.149 1.00 0.00 C ATOM 1390 CG ASN A 85 3.312 49.513 20.747 1.00 0.00 C ATOM 1391 OD1 ASN A 85 2.777 49.056 19.751 1.00 0.00 O ATOM 1392 ND2 ASN A 85 4.202 50.500 20.727 1.00 0.00 N ATOM 0 H ASN A 85 2.948 47.845 24.355 1.00 0.00 H new ATOM 0 HA ASN A 85 3.600 46.941 21.801 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.950 48.714 22.218 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.186 49.762 22.887 1.00 0.00 H new ATOM 0 HD21 ASN A 85 4.475 50.922 19.840 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.612 50.835 21.599 1.00 0.00 H new ATOM 1399 N ILE A 86 5.948 48.519 23.417 1.00 0.00 N ATOM 1400 CA ILE A 86 7.345 48.922 23.405 1.00 0.00 C ATOM 1401 C ILE A 86 8.225 47.689 23.191 1.00 0.00 C ATOM 1402 O ILE A 86 9.258 47.765 22.528 1.00 0.00 O ATOM 1403 CB ILE A 86 7.686 49.711 24.670 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.123 51.132 24.599 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.194 49.705 24.930 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.819 51.671 25.998 1.00 0.00 C ATOM 0 H ILE A 86 5.505 48.543 24.335 1.00 0.00 H new ATOM 0 HA ILE A 86 7.539 49.600 22.574 1.00 0.00 H new ATOM 0 HB ILE A 86 7.210 49.218 25.518 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.839 51.786 24.101 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.214 51.137 23.998 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.409 50.273 25.835 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.537 48.678 25.055 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.711 50.160 24.085 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.420 52.682 25.920 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.085 51.028 26.484 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.735 51.687 26.589 1.00 0.00 H new ATOM 1418 N LEU A 87 7.784 46.580 23.768 1.00 0.00 N ATOM 1419 CA LEU A 87 8.518 45.332 23.651 1.00 0.00 C ATOM 1420 C LEU A 87 8.520 44.882 22.189 1.00 0.00 C ATOM 1421 O LEU A 87 9.546 44.439 21.673 1.00 0.00 O ATOM 1422 CB LEU A 87 7.956 44.286 24.615 1.00 0.00 C ATOM 1423 CG LEU A 87 7.773 44.739 26.065 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.006 43.693 26.874 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.120 45.085 26.705 1.00 0.00 C ATOM 0 H LEU A 87 6.927 46.521 24.318 1.00 0.00 H new ATOM 0 HA LEU A 87 9.558 45.474 23.943 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.990 43.952 24.235 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.618 43.420 24.607 1.00 0.00 H new ATOM 0 HG LEU A 87 7.173 45.649 26.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.890 44.040 27.901 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.023 43.539 26.430 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.558 42.753 26.869 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.962 45.404 27.735 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.765 44.207 26.692 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.593 45.891 26.144 1.00 0.00 H new ATOM 1437 N VAL A 88 7.361 45.013 21.561 1.00 0.00 N ATOM 1438 CA VAL A 88 7.215 44.625 20.168 1.00 0.00 C ATOM 1439 C VAL A 88 8.007 45.594 19.288 1.00 0.00 C ATOM 1440 O VAL A 88 8.780 45.170 18.429 1.00 0.00 O ATOM 1441 CB VAL A 88 5.733 44.555 19.796 1.00 0.00 C ATOM 1442 CG1 VAL A 88 5.542 44.667 18.282 1.00 0.00 C ATOM 1443 CG2 VAL A 88 5.092 43.275 20.337 1.00 0.00 C ATOM 0 H VAL A 88 6.513 45.383 21.991 1.00 0.00 H new ATOM 0 HA VAL A 88 7.624 43.628 20.005 1.00 0.00 H new ATOM 0 HB VAL A 88 5.230 45.403 20.260 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.480 44.614 18.044 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.945 45.618 17.934 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.065 43.848 17.788 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.038 43.250 20.059 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.599 42.408 19.915 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.181 43.255 21.423 1.00 0.00 H new ATOM 1453 N LYS A 89 7.790 46.878 19.532 1.00 0.00 N ATOM 1454 CA LYS A 89 8.472 47.911 18.772 1.00 0.00 C ATOM 1455 C LYS A 89 9.912 48.038 19.275 1.00 0.00 C ATOM 1456 O LYS A 89 10.691 48.829 18.744 1.00 0.00 O ATOM 1457 CB LYS A 89 7.686 49.222 18.823 1.00 0.00 C ATOM 1458 CG LYS A 89 7.372 49.727 17.413 1.00 0.00 C ATOM 1459 CD LYS A 89 6.117 50.603 17.411 1.00 0.00 C ATOM 1460 CE LYS A 89 6.435 52.018 17.896 1.00 0.00 C ATOM 1461 NZ LYS A 89 7.238 52.744 16.885 1.00 0.00 N ATOM 0 H LYS A 89 7.151 47.227 20.246 1.00 0.00 H new ATOM 0 HA LYS A 89 8.523 47.638 17.718 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.758 49.073 19.375 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.261 49.974 19.363 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.218 50.297 17.030 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.229 48.879 16.743 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.700 50.645 16.405 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.357 50.157 18.053 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.509 52.559 18.090 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.981 51.972 18.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.149 53.768 17.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.237 52.466 16.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.893 52.508 15.933 1.00 0.00 H new ATOM 1474 N ASN A 90 10.223 47.248 20.292 1.00 0.00 N ATOM 1475 CA ASN A 90 11.555 47.263 20.871 1.00 0.00 C ATOM 1476 C ASN A 90 12.587 46.999 19.773 1.00 0.00 C ATOM 1477 O ASN A 90 13.766 47.311 19.936 1.00 0.00 O ATOM 1478 CB ASN A 90 11.706 46.172 21.933 1.00 0.00 C ATOM 1479 CG ASN A 90 12.078 44.833 21.295 1.00 0.00 C ATOM 1480 OD1 ASN A 90 11.646 44.493 20.205 1.00 0.00 O ATOM 1481 ND2 ASN A 90 12.901 44.092 22.033 1.00 0.00 N ATOM 0 H ASN A 90 9.575 46.593 20.730 1.00 0.00 H new ATOM 0 HA ASN A 90 11.712 48.239 21.331 1.00 0.00 H new ATOM 0 HB2 ASN A 90 12.473 46.462 22.651 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.773 46.068 22.488 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.208 43.180 21.695 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.225 44.436 22.937 1.00 0.00 H new