USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 37:sc= 0.746 USER MOD Single : A 22 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.025) USER MOD Single : A 23 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.11) USER MOD Single : A 26 ASN : amide:sc= -2.25 K(o=-2.3,f=-3.3!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1 K(o=-1,f=-6.8!) USER MOD Single : A 45 GLN : amide:sc=-0.00466 X(o=-0.0047,f=-0.0043) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00453) USER MOD Single : A 56 THR OG1 : rot 170:sc= -3.88! USER MOD Single : A 61 ASN : amide:sc=-0.00993 X(o=-0.0099,f=-0.053) USER MOD Single : A 65 TYR OH : rot -58:sc= -2.23! 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+ 173:sc= 0 (180deg=-0.0208) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 11.599 38.467 37.005 1.00 0.00 N ATOM 313 CA THR A 21 12.879 38.948 36.514 1.00 0.00 C ATOM 314 C THR A 21 13.128 38.447 35.090 1.00 0.00 C ATOM 315 O THR A 21 12.513 37.474 34.654 1.00 0.00 O ATOM 316 CB THR A 21 13.959 38.516 37.508 1.00 0.00 C ATOM 317 OG1 THR A 21 13.381 38.777 38.784 1.00 0.00 O ATOM 318 CG2 THR A 21 15.191 39.422 37.464 1.00 0.00 C ATOM 0 HA THR A 21 12.893 40.036 36.448 1.00 0.00 H new ATOM 0 HB THR A 21 14.256 37.489 37.297 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.421 38.581 38.755 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.926 39.072 38.188 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.625 39.397 36.465 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.900 40.444 37.708 1.00 0.00 H new ATOM 326 N HIS A 22 14.030 39.133 34.403 1.00 0.00 N ATOM 327 CA HIS A 22 14.367 38.769 33.038 1.00 0.00 C ATOM 328 C HIS A 22 13.180 39.064 32.120 1.00 0.00 C ATOM 329 O HIS A 22 13.249 39.956 31.276 1.00 0.00 O ATOM 330 CB HIS A 22 14.828 37.312 32.962 1.00 0.00 C ATOM 331 CG HIS A 22 15.774 37.026 31.821 1.00 0.00 C ATOM 332 ND1 HIS A 22 16.400 35.803 31.655 1.00 0.00 N ATOM 333 CD2 HIS A 22 16.194 37.816 30.791 1.00 0.00 C ATOM 334 CE1 HIS A 22 17.161 35.866 30.572 1.00 0.00 C ATOM 335 NE2 HIS A 22 17.032 37.115 30.038 1.00 0.00 N ATOM 0 H HIS A 22 14.538 39.939 34.767 1.00 0.00 H new ATOM 0 HA HIS A 22 15.206 39.373 32.694 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.316 37.047 33.900 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.953 36.669 32.865 1.00 0.00 H new ATOM 0 HD2 HIS A 22 15.895 38.839 30.618 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.775 35.069 30.181 1.00 0.00 H new ATOM 0 HE2 HIS A 22 17.502 37.454 29.199 1.00 0.00 H new ATOM 343 N HIS A 23 12.116 38.298 32.316 1.00 0.00 N ATOM 344 CA HIS A 23 10.915 38.467 31.516 1.00 0.00 C ATOM 345 C HIS A 23 10.137 39.687 32.010 1.00 0.00 C ATOM 346 O HIS A 23 9.654 40.486 31.209 1.00 0.00 O ATOM 347 CB HIS A 23 10.077 37.187 31.520 1.00 0.00 C ATOM 348 CG HIS A 23 10.857 35.939 31.179 1.00 0.00 C ATOM 349 ND1 HIS A 23 11.452 35.741 29.946 1.00 0.00 N ATOM 350 CD2 HIS A 23 11.135 34.831 31.924 1.00 0.00 C ATOM 351 CE1 HIS A 23 12.058 34.563 29.958 1.00 0.00 C ATOM 352 NE2 HIS A 23 11.859 33.999 31.185 1.00 0.00 N ATOM 0 H HIS A 23 12.061 37.559 33.017 1.00 0.00 H new ATOM 0 HA HIS A 23 11.188 38.651 30.477 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.626 37.063 32.505 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.260 37.298 30.807 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.820 34.659 32.943 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.612 34.126 29.141 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.209 33.089 31.485 1.00 0.00 H new ATOM 360 N TRP A 24 10.038 39.791 33.327 1.00 0.00 N ATOM 361 CA TRP A 24 9.325 40.902 33.938 1.00 0.00 C ATOM 362 C TRP A 24 10.162 42.167 33.738 1.00 0.00 C ATOM 363 O TRP A 24 9.627 43.223 33.401 1.00 0.00 O ATOM 364 CB TRP A 24 9.019 40.614 35.409 1.00 0.00 C ATOM 365 CG TRP A 24 8.445 41.810 36.170 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.958 42.429 37.242 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.218 42.510 35.873 1.00 0.00 C ATOM 368 NE1 TRP A 24 8.155 43.473 37.656 1.00 0.00 N ATOM 369 CE2 TRP A 24 7.064 43.524 36.796 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.271 42.294 34.857 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.973 44.401 36.796 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.187 43.179 34.871 1.00 0.00 C ATOM 373 CH2 TRP A 24 5.016 44.205 35.793 1.00 0.00 C ATOM 0 H TRP A 24 10.439 39.126 33.988 1.00 0.00 H new ATOM 0 HA TRP A 24 8.355 41.047 33.462 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.312 39.786 35.467 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.934 40.287 35.903 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.883 42.147 37.722 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.330 44.093 38.447 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.372 41.508 34.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.875 45.187 37.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.429 43.056 34.111 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.150 44.847 35.736 1.00 0.00 H new ATOM 384 N LEU A 25 11.461 42.021 33.954 1.00 0.00 N ATOM 385 CA LEU A 25 12.376 43.139 33.801 1.00 0.00 C ATOM 386 C LEU A 25 12.192 43.757 32.414 1.00 0.00 C ATOM 387 O LEU A 25 12.460 44.942 32.218 1.00 0.00 O ATOM 388 CB LEU A 25 13.811 42.700 34.094 1.00 0.00 C ATOM 389 CG LEU A 25 14.787 43.813 34.483 1.00 0.00 C ATOM 390 CD1 LEU A 25 14.156 44.764 35.500 1.00 0.00 C ATOM 391 CD2 LEU A 25 16.110 43.230 34.987 1.00 0.00 C ATOM 0 H LEU A 25 11.902 41.145 34.234 1.00 0.00 H new ATOM 0 HA LEU A 25 12.151 43.918 34.529 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.788 41.966 34.900 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.202 42.193 33.212 1.00 0.00 H new ATOM 0 HG LEU A 25 15.011 44.398 33.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.870 45.545 35.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.263 45.217 35.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.884 44.209 36.398 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.786 44.041 35.257 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.923 42.607 35.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.564 42.626 34.202 1.00 0.00 H new ATOM 403 N ASN A 26 11.737 42.927 31.487 1.00 0.00 N ATOM 404 CA ASN A 26 11.514 43.377 30.124 1.00 0.00 C ATOM 405 C ASN A 26 10.270 44.267 30.081 1.00 0.00 C ATOM 406 O ASN A 26 10.122 45.091 29.180 1.00 0.00 O ATOM 407 CB ASN A 26 11.280 42.193 29.184 1.00 0.00 C ATOM 408 CG ASN A 26 11.180 42.658 27.730 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.788 43.633 27.319 1.00 0.00 O ATOM 410 ND2 ASN A 26 10.380 41.910 26.977 1.00 0.00 N ATOM 0 H ASN A 26 11.517 41.945 31.653 1.00 0.00 H new ATOM 0 HA ASN A 26 12.400 43.924 29.802 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.096 41.477 29.285 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.364 41.675 29.467 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.246 42.139 25.992 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.901 41.107 27.384 1.00 0.00 H new ATOM 417 N PHE A 27 9.407 44.070 31.067 1.00 0.00 N ATOM 418 CA PHE A 27 8.181 44.845 31.155 1.00 0.00 C ATOM 419 C PHE A 27 8.357 46.049 32.082 1.00 0.00 C ATOM 420 O PHE A 27 7.865 47.139 31.790 1.00 0.00 O ATOM 421 CB PHE A 27 7.109 43.921 31.737 1.00 0.00 C ATOM 422 CG PHE A 27 5.696 44.205 31.223 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.950 45.188 31.796 1.00 0.00 C ATOM 424 CD2 PHE A 27 5.187 43.477 30.194 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.638 45.452 31.319 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.876 43.741 29.718 1.00 0.00 C ATOM 427 CZ PHE A 27 3.129 44.723 30.290 1.00 0.00 C ATOM 0 H PHE A 27 9.533 43.385 31.812 1.00 0.00 H new ATOM 0 HA PHE A 27 7.906 45.218 30.168 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.369 42.888 31.504 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.115 44.014 32.823 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.355 45.767 32.613 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.780 42.698 29.739 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.045 46.232 31.774 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.472 43.162 28.901 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.132 44.924 29.927 1.00 0.00 H new ATOM 437 N LEU A 28 9.061 45.813 33.179 1.00 0.00 N ATOM 438 CA LEU A 28 9.308 46.865 34.150 1.00 0.00 C ATOM 439 C LEU A 28 10.125 47.979 33.493 1.00 0.00 C ATOM 440 O LEU A 28 9.998 49.146 33.860 1.00 0.00 O ATOM 441 CB LEU A 28 9.957 46.289 35.411 1.00 0.00 C ATOM 442 CG LEU A 28 10.030 47.227 36.617 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.678 47.895 36.875 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.551 46.492 37.853 1.00 0.00 C ATOM 0 H LEU A 28 9.468 44.909 33.417 1.00 0.00 H new ATOM 0 HA LEU A 28 8.368 47.309 34.477 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.405 45.396 35.704 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.969 45.971 35.162 1.00 0.00 H new ATOM 0 HG LEU A 28 10.743 48.020 36.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.758 48.557 37.738 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.385 48.474 35.999 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.926 47.131 37.072 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.593 47.182 38.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.882 45.665 38.094 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.550 46.104 37.652 1.00 0.00 H new ATOM 456 N GLN A 29 10.944 47.579 32.531 1.00 0.00 N ATOM 457 CA GLN A 29 11.781 48.529 31.819 1.00 0.00 C ATOM 458 C GLN A 29 10.928 49.399 30.894 1.00 0.00 C ATOM 459 O GLN A 29 11.014 50.625 30.935 1.00 0.00 O ATOM 460 CB GLN A 29 12.882 47.810 31.036 1.00 0.00 C ATOM 461 CG GLN A 29 13.989 48.784 30.628 1.00 0.00 C ATOM 462 CD GLN A 29 14.843 48.202 29.498 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.121 47.016 29.444 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.242 49.101 28.604 1.00 0.00 N ATOM 0 H GLN A 29 11.045 46.610 32.228 1.00 0.00 H new ATOM 0 HA GLN A 29 12.265 49.177 32.550 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.303 47.010 31.645 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.456 47.344 30.147 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.548 49.727 30.306 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.620 49.004 31.489 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.973 50.079 28.709 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.817 48.813 27.813 1.00 0.00 H new ATOM 473 N ALA A 30 10.123 48.730 30.081 1.00 0.00 N ATOM 474 CA ALA A 30 9.255 49.426 29.148 1.00 0.00 C ATOM 475 C ALA A 30 8.314 50.349 29.924 1.00 0.00 C ATOM 476 O ALA A 30 8.114 51.502 29.543 1.00 0.00 O ATOM 477 CB ALA A 30 8.499 48.406 28.294 1.00 0.00 C ATOM 0 H ALA A 30 10.054 47.713 30.050 1.00 0.00 H new ATOM 0 HA ALA A 30 9.841 50.047 28.470 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.848 48.929 27.594 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.212 47.796 27.740 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.898 47.765 28.939 1.00 0.00 H new ATOM 483 N ALA A 31 7.761 49.809 30.999 1.00 0.00 N ATOM 484 CA ALA A 31 6.845 50.569 31.832 1.00 0.00 C ATOM 485 C ALA A 31 7.567 51.801 32.382 1.00 0.00 C ATOM 486 O ALA A 31 6.932 52.802 32.711 1.00 0.00 O ATOM 487 CB ALA A 31 6.299 49.670 32.943 1.00 0.00 C ATOM 0 H ALA A 31 7.930 48.853 31.313 1.00 0.00 H new ATOM 0 HA ALA A 31 5.994 50.918 31.247 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.612 50.240 33.568 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.771 48.825 32.501 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.125 49.303 33.553 1.00 0.00 H new ATOM 493 N TYR A 32 8.885 51.689 32.464 1.00 0.00 N ATOM 494 CA TYR A 32 9.700 52.781 32.968 1.00 0.00 C ATOM 495 C TYR A 32 10.004 53.794 31.862 1.00 0.00 C ATOM 496 O TYR A 32 10.279 54.959 32.142 1.00 0.00 O ATOM 497 CB TYR A 32 11.011 52.148 33.437 1.00 0.00 C ATOM 498 CG TYR A 32 11.419 52.542 34.858 1.00 0.00 C ATOM 499 CD1 TYR A 32 10.529 52.382 35.901 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.676 53.058 35.097 1.00 0.00 C ATOM 501 CE1 TYR A 32 10.914 52.754 37.238 1.00 0.00 C ATOM 502 CE2 TYR A 32 13.061 53.429 36.433 1.00 0.00 C ATOM 503 CZ TYR A 32 12.161 53.258 37.438 1.00 0.00 C ATOM 504 OH TYR A 32 12.523 53.609 38.701 1.00 0.00 O ATOM 0 H TYR A 32 9.409 50.858 32.190 1.00 0.00 H new ATOM 0 HA TYR A 32 9.181 53.309 33.768 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.918 51.063 33.384 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.807 52.434 32.749 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.545 51.978 35.715 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.372 53.184 34.281 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.228 52.635 38.063 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.042 53.834 36.633 1.00 0.00 H new ATOM 0 HH TYR A 32 13.441 53.953 38.695 1.00 0.00 H new ATOM 514 N ARG A 33 9.942 53.312 30.630 1.00 0.00 N ATOM 515 CA ARG A 33 10.208 54.160 29.480 1.00 0.00 C ATOM 516 C ARG A 33 8.985 55.023 29.164 1.00 0.00 C ATOM 517 O ARG A 33 9.070 55.961 28.372 1.00 0.00 O ATOM 518 CB ARG A 33 10.565 53.325 28.249 1.00 0.00 C ATOM 519 CG ARG A 33 11.698 53.977 27.455 1.00 0.00 C ATOM 520 CD ARG A 33 11.188 55.181 26.660 1.00 0.00 C ATOM 521 NE ARG A 33 11.762 55.166 25.296 1.00 0.00 N ATOM 522 CZ ARG A 33 12.940 55.735 24.963 1.00 0.00 C ATOM 523 NH1 ARG A 33 13.682 56.370 25.897 1.00 0.00 N ATOM 524 NH2 ARG A 33 13.357 55.662 23.713 1.00 0.00 N ATOM 0 H ARG A 33 9.711 52.345 30.402 1.00 0.00 H new ATOM 0 HA ARG A 33 11.055 54.799 29.729 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.863 52.323 28.558 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.687 53.214 27.613 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.488 54.294 28.136 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.137 53.247 26.775 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.100 55.157 26.606 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.462 56.105 27.169 1.00 0.00 H new ATOM 0 HE ARG A 33 11.234 54.696 24.561 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.353 56.422 26.861 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.571 56.798 25.638 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.791 55.181 23.014 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.245 56.087 23.446 1.00 0.00 H new ATOM 537 N LEU A 34 7.874 54.676 29.800 1.00 0.00 N ATOM 538 CA LEU A 34 6.636 55.408 29.596 1.00 0.00 C ATOM 539 C LEU A 34 6.421 56.374 30.763 1.00 0.00 C ATOM 540 O LEU A 34 7.363 56.703 31.483 1.00 0.00 O ATOM 541 CB LEU A 34 5.472 54.439 29.378 1.00 0.00 C ATOM 542 CG LEU A 34 5.713 53.319 28.363 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.631 52.243 28.468 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.828 53.880 26.945 1.00 0.00 C ATOM 0 H LEU A 34 7.807 53.898 30.456 1.00 0.00 H new ATOM 0 HA LEU A 34 6.694 56.011 28.690 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.218 53.986 30.336 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.603 55.013 29.057 1.00 0.00 H new ATOM 0 HG LEU A 34 6.665 52.843 28.599 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.825 51.459 27.736 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.640 51.814 29.470 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.655 52.688 28.273 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.999 53.063 26.243 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.905 54.397 26.682 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.662 54.580 26.897 1.00 0.00 H new ATOM 665 N PHE A 43 0.742 50.222 37.401 1.00 0.00 N ATOM 666 CA PHE A 43 1.100 48.969 38.045 1.00 0.00 C ATOM 667 C PHE A 43 -0.147 48.155 38.392 1.00 0.00 C ATOM 668 O PHE A 43 -0.113 46.925 38.385 1.00 0.00 O ATOM 669 CB PHE A 43 1.838 49.326 39.337 1.00 0.00 C ATOM 670 CG PHE A 43 3.362 49.221 39.232 1.00 0.00 C ATOM 671 CD1 PHE A 43 3.938 48.054 38.841 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.138 50.297 39.532 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.352 47.957 38.744 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.552 50.200 39.435 1.00 0.00 C ATOM 675 CZ PHE A 43 6.129 49.032 39.043 1.00 0.00 C ATOM 0 HA PHE A 43 1.717 48.369 37.376 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.573 50.343 39.626 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.493 48.668 40.134 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.321 47.200 38.604 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.680 51.224 39.844 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.810 47.030 38.433 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.169 51.054 39.673 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.204 48.959 38.969 1.00 0.00 H new ATOM 685 N GLN A 44 -1.221 48.873 38.688 1.00 0.00 N ATOM 686 CA GLN A 44 -2.477 48.232 39.037 1.00 0.00 C ATOM 687 C GLN A 44 -3.034 47.467 37.836 1.00 0.00 C ATOM 688 O GLN A 44 -3.318 46.273 37.934 1.00 0.00 O ATOM 689 CB GLN A 44 -3.490 49.257 39.552 1.00 0.00 C ATOM 690 CG GLN A 44 -4.031 48.851 40.925 1.00 0.00 C ATOM 691 CD GLN A 44 -4.937 47.622 40.815 1.00 0.00 C ATOM 692 OE1 GLN A 44 -5.058 46.999 39.773 1.00 0.00 O ATOM 693 NE2 GLN A 44 -5.564 47.311 41.946 1.00 0.00 N ATOM 0 H GLN A 44 -1.247 49.893 38.693 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.289 47.520 39.841 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.019 50.238 39.618 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.314 49.346 38.844 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.201 48.636 41.598 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.588 49.680 41.360 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.417 47.876 42.783 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.192 46.508 41.977 1.00 0.00 H new ATOM 702 N GLN A 45 -3.174 48.182 36.731 1.00 0.00 N ATOM 703 CA GLN A 45 -3.692 47.585 35.512 1.00 0.00 C ATOM 704 C GLN A 45 -2.798 46.426 35.067 1.00 0.00 C ATOM 705 O GLN A 45 -3.228 45.563 34.305 1.00 0.00 O ATOM 706 CB GLN A 45 -3.827 48.630 34.403 1.00 0.00 C ATOM 707 CG GLN A 45 -4.892 48.216 33.385 1.00 0.00 C ATOM 708 CD GLN A 45 -6.290 48.623 33.858 1.00 0.00 C ATOM 709 OE1 GLN A 45 -6.665 49.783 33.842 1.00 0.00 O ATOM 710 NE2 GLN A 45 -7.036 47.605 34.278 1.00 0.00 N ATOM 0 H GLN A 45 -2.937 49.171 36.654 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.688 47.192 35.718 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.090 49.594 34.838 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.868 48.758 33.900 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.680 48.681 32.422 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.855 47.137 33.233 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.659 46.657 34.265 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.985 47.772 34.613 1.00 0.00 H new ATOM 719 N LEU A 46 -1.569 46.445 35.563 1.00 0.00 N ATOM 720 CA LEU A 46 -0.610 45.407 35.226 1.00 0.00 C ATOM 721 C LEU A 46 -0.846 44.190 36.125 1.00 0.00 C ATOM 722 O LEU A 46 -1.061 43.083 35.633 1.00 0.00 O ATOM 723 CB LEU A 46 0.817 45.953 35.292 1.00 0.00 C ATOM 724 CG LEU A 46 1.598 45.950 33.978 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.891 46.759 34.105 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.862 44.521 33.499 1.00 0.00 C ATOM 0 H LEU A 46 -1.216 47.163 36.196 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.752 45.077 34.197 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.776 46.976 35.665 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.375 45.369 36.024 1.00 0.00 H new ATOM 0 HG LEU A 46 0.987 46.437 33.218 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.427 46.740 33.156 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.651 47.790 34.366 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.517 46.324 34.884 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.419 44.548 32.562 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.442 43.987 34.251 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.913 44.009 33.342 1.00 0.00 H new ATOM 738 N ARG A 47 -0.796 44.437 37.425 1.00 0.00 N ATOM 739 CA ARG A 47 -1.000 43.376 38.396 1.00 0.00 C ATOM 740 C ARG A 47 -2.347 42.691 38.157 1.00 0.00 C ATOM 741 O ARG A 47 -2.558 41.559 38.592 1.00 0.00 O ATOM 742 CB ARG A 47 -0.961 43.922 39.825 1.00 0.00 C ATOM 743 CG ARG A 47 -0.428 42.869 40.800 1.00 0.00 C ATOM 744 CD ARG A 47 -1.536 42.375 41.732 1.00 0.00 C ATOM 745 NE ARG A 47 -1.209 42.719 43.134 1.00 0.00 N ATOM 746 CZ ARG A 47 -1.508 43.900 43.714 1.00 0.00 C ATOM 747 NH1 ARG A 47 -2.147 44.864 43.016 1.00 0.00 N ATOM 748 NH2 ARG A 47 -1.167 44.100 44.973 1.00 0.00 N ATOM 0 H ARG A 47 -0.617 45.356 37.829 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.193 42.654 38.273 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.330 44.810 39.862 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.962 44.230 40.128 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.015 42.028 40.243 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.386 43.292 41.389 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.487 42.826 41.451 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.653 41.296 41.631 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.727 42.019 43.698 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.407 44.702 42.043 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.369 45.754 43.462 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.685 43.367 45.493 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.386 44.987 45.426 1.00 0.00 H new ATOM 761 N ARG A 48 -3.225 43.404 37.467 1.00 0.00 N ATOM 762 CA ARG A 48 -4.545 42.879 37.165 1.00 0.00 C ATOM 763 C ARG A 48 -4.559 42.247 35.772 1.00 0.00 C ATOM 764 O ARG A 48 -5.608 41.824 35.288 1.00 0.00 O ATOM 765 CB ARG A 48 -5.604 43.981 37.227 1.00 0.00 C ATOM 766 CG ARG A 48 -6.930 43.437 37.762 1.00 0.00 C ATOM 767 CD ARG A 48 -7.832 42.969 36.617 1.00 0.00 C ATOM 768 NE ARG A 48 -9.232 43.370 36.878 1.00 0.00 N ATOM 769 CZ ARG A 48 -10.206 43.372 35.944 1.00 0.00 C ATOM 770 NH1 ARG A 48 -9.940 42.993 34.675 1.00 0.00 N ATOM 771 NH2 ARG A 48 -11.423 43.749 36.288 1.00 0.00 N ATOM 0 H ARG A 48 -3.047 44.342 37.108 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.780 42.123 37.914 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.254 44.791 37.867 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.754 44.402 36.233 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.739 42.607 38.442 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.439 44.210 38.338 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.491 43.400 35.676 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.769 41.886 36.513 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.476 43.664 37.824 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.997 42.702 34.417 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.682 42.997 33.975 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.616 44.033 37.248 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.170 43.756 35.594 1.00 0.00 H new ATOM 784 N PHE A 49 -3.382 42.203 35.164 1.00 0.00 N ATOM 785 CA PHE A 49 -3.245 41.630 33.836 1.00 0.00 C ATOM 786 C PHE A 49 -2.327 40.406 33.859 1.00 0.00 C ATOM 787 O PHE A 49 -2.581 39.423 33.165 1.00 0.00 O ATOM 788 CB PHE A 49 -2.620 42.706 32.947 1.00 0.00 C ATOM 789 CG PHE A 49 -2.228 42.211 31.553 1.00 0.00 C ATOM 790 CD1 PHE A 49 -3.109 41.478 30.820 1.00 0.00 C ATOM 791 CD2 PHE A 49 -1.001 42.505 31.046 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.747 41.019 29.527 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.638 42.046 29.753 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.519 41.312 29.020 1.00 0.00 C ATOM 0 H PHE A 49 -2.514 42.555 35.568 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.220 41.312 33.465 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.324 43.531 32.843 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.734 43.103 33.443 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.084 41.245 31.222 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.302 43.088 31.628 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.446 40.437 28.945 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.337 42.279 29.351 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.243 40.962 28.036 1.00 0.00 H new ATOM 804 N LEU A 50 -1.280 40.507 34.664 1.00 0.00 N ATOM 805 CA LEU A 50 -0.323 39.420 34.787 1.00 0.00 C ATOM 806 C LEU A 50 -0.988 38.237 35.494 1.00 0.00 C ATOM 807 O LEU A 50 -0.993 37.122 34.976 1.00 0.00 O ATOM 808 CB LEU A 50 0.956 39.906 35.471 1.00 0.00 C ATOM 809 CG LEU A 50 1.721 41.019 34.751 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.440 41.926 35.752 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.680 40.440 33.710 1.00 0.00 C ATOM 0 H LEU A 50 -1.073 41.325 35.238 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.016 39.070 33.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.699 40.257 36.470 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.625 39.054 35.594 1.00 0.00 H new ATOM 0 HG LEU A 50 1.001 41.638 34.216 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.976 42.708 35.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.709 42.381 36.421 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.148 41.336 36.334 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.211 41.252 33.213 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.398 39.784 34.202 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.115 39.871 32.972 1.00 0.00 H new ATOM 823 N LYS A 51 -1.533 38.522 36.667 1.00 0.00 N ATOM 824 CA LYS A 51 -2.199 37.496 37.451 1.00 0.00 C ATOM 825 C LYS A 51 -3.291 36.841 36.603 1.00 0.00 C ATOM 826 O LYS A 51 -3.633 35.678 36.816 1.00 0.00 O ATOM 827 CB LYS A 51 -2.711 38.078 38.771 1.00 0.00 C ATOM 828 CG LYS A 51 -1.752 37.759 39.919 1.00 0.00 C ATOM 829 CD LYS A 51 -1.844 36.285 40.318 1.00 0.00 C ATOM 830 CE LYS A 51 -2.494 36.128 41.694 1.00 0.00 C ATOM 831 NZ LYS A 51 -1.463 35.910 42.733 1.00 0.00 N ATOM 0 H LYS A 51 -1.527 39.448 37.094 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.495 36.711 37.727 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.825 39.158 38.677 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.698 37.672 38.993 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.731 37.995 39.620 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.986 38.387 40.778 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.424 35.739 39.574 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.847 35.845 40.331 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.075 37.019 41.932 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.189 35.288 41.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.922 35.805 43.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.926 35.047 42.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.816 36.724 42.756 1.00 0.00 H new ATOM 844 N LEU A 52 -3.807 37.614 35.660 1.00 0.00 N ATOM 845 CA LEU A 52 -4.854 37.124 34.780 1.00 0.00 C ATOM 846 C LEU A 52 -4.290 36.007 33.899 1.00 0.00 C ATOM 847 O LEU A 52 -4.862 34.921 33.827 1.00 0.00 O ATOM 848 CB LEU A 52 -5.473 38.278 33.989 1.00 0.00 C ATOM 849 CG LEU A 52 -6.337 37.881 32.790 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.223 39.046 32.344 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.475 37.346 31.645 1.00 0.00 C ATOM 0 H LEU A 52 -3.520 38.577 35.486 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.670 36.693 35.360 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.082 38.873 34.669 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.668 38.922 33.635 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.999 37.072 33.099 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.827 38.738 31.491 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.878 39.340 33.164 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.597 39.891 32.059 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.114 37.071 30.806 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.772 38.116 31.328 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.924 36.469 31.984 1.00 0.00 H new ATOM 863 N ALA A 53 -3.176 36.313 33.251 1.00 0.00 N ATOM 864 CA ALA A 53 -2.529 35.348 32.377 1.00 0.00 C ATOM 865 C ALA A 53 -2.191 34.088 33.178 1.00 0.00 C ATOM 866 O ALA A 53 -2.159 32.989 32.628 1.00 0.00 O ATOM 867 CB ALA A 53 -1.291 35.984 31.742 1.00 0.00 C ATOM 0 H ALA A 53 -2.704 37.215 33.313 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.197 35.055 31.567 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.806 35.261 31.087 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.588 36.857 31.161 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.596 36.288 32.525 1.00 0.00 H new ATOM 873 N LEU A 54 -1.947 34.291 34.465 1.00 0.00 N ATOM 874 CA LEU A 54 -1.613 33.186 35.347 1.00 0.00 C ATOM 875 C LEU A 54 -2.809 32.236 35.441 1.00 0.00 C ATOM 876 O LEU A 54 -2.682 31.120 35.945 1.00 0.00 O ATOM 877 CB LEU A 54 -1.134 33.707 36.702 1.00 0.00 C ATOM 878 CG LEU A 54 0.209 33.163 37.193 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.267 33.235 36.091 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.659 33.881 38.467 1.00 0.00 C ATOM 0 H LEU A 54 -1.974 35.205 34.918 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.780 32.612 34.940 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.065 34.793 36.648 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.893 33.473 37.448 1.00 0.00 H new ATOM 0 HG LEU A 54 0.079 32.111 37.445 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.212 32.842 36.467 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.942 32.642 35.236 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.402 34.272 35.784 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.616 33.475 38.795 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.767 34.947 38.265 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.085 33.733 39.250 1.00 0.00 H new ATOM 892 N LYS A 55 -3.943 32.711 34.949 1.00 0.00 N ATOM 893 CA LYS A 55 -5.161 31.918 34.972 1.00 0.00 C ATOM 894 C LYS A 55 -5.086 30.845 33.884 1.00 0.00 C ATOM 895 O LYS A 55 -5.992 30.024 33.754 1.00 0.00 O ATOM 896 CB LYS A 55 -6.391 32.822 34.861 1.00 0.00 C ATOM 897 CG LYS A 55 -6.435 33.831 36.010 1.00 0.00 C ATOM 898 CD LYS A 55 -7.846 34.391 36.194 1.00 0.00 C ATOM 899 CE LYS A 55 -8.643 33.554 37.195 1.00 0.00 C ATOM 900 NZ LYS A 55 -8.257 33.897 38.581 1.00 0.00 N ATOM 0 H LYS A 55 -4.045 33.636 34.531 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.260 31.399 35.926 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.373 33.351 33.908 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.296 32.214 34.871 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.107 33.352 36.932 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.740 34.646 35.810 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.789 35.423 36.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.363 34.406 35.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.710 33.728 37.055 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.466 32.494 37.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.485 33.102 39.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.235 34.088 38.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.779 34.743 38.888 1.00 0.00 H new ATOM 913 N THR A 56 -3.997 30.889 33.129 1.00 0.00 N ATOM 914 CA THR A 56 -3.791 29.930 32.056 1.00 0.00 C ATOM 915 C THR A 56 -2.297 29.679 31.844 1.00 0.00 C ATOM 916 O THR A 56 -1.631 30.434 31.137 1.00 0.00 O ATOM 917 CB THR A 56 -4.502 30.458 30.809 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.395 29.391 29.870 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.747 31.613 30.148 1.00 0.00 C ATOM 0 H THR A 56 -3.249 31.573 33.239 1.00 0.00 H new ATOM 0 HA THR A 56 -4.218 28.959 32.305 1.00 0.00 H new ATOM 0 HB THR A 56 -5.506 30.787 31.077 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.963 29.580 29.094 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.295 31.950 29.268 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.653 32.438 30.854 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.754 31.276 29.850 1.00 0.00 H new ATOM 927 N PRO A 57 -1.802 28.588 32.485 1.00 0.00 N ATOM 928 CA PRO A 57 -0.398 28.227 32.374 1.00 0.00 C ATOM 929 C PRO A 57 -0.099 27.603 31.009 1.00 0.00 C ATOM 930 O PRO A 57 0.218 26.418 30.920 1.00 0.00 O ATOM 931 CB PRO A 57 -0.143 27.274 33.531 1.00 0.00 C ATOM 932 CG PRO A 57 -1.510 26.774 33.968 1.00 0.00 C ATOM 933 CD PRO A 57 -2.560 27.670 33.332 1.00 0.00 C ATOM 0 HA PRO A 57 0.264 29.091 32.434 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.495 26.446 33.222 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.367 27.781 34.350 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.654 25.739 33.659 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.596 26.798 35.054 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.274 27.090 32.747 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.131 28.209 34.088 1.00 0.00 H new ATOM 941 N ILE A 58 -0.210 28.430 29.979 1.00 0.00 N ATOM 942 CA ILE A 58 0.044 27.975 28.624 1.00 0.00 C ATOM 943 C ILE A 58 1.193 28.788 28.024 1.00 0.00 C ATOM 944 O ILE A 58 1.852 28.342 27.086 1.00 0.00 O ATOM 945 CB ILE A 58 -1.240 28.020 27.793 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.952 28.480 26.363 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.301 28.888 28.472 1.00 0.00 C ATOM 948 CD1 ILE A 58 -0.082 27.461 25.623 1.00 0.00 C ATOM 0 H ILE A 58 -0.473 29.413 30.057 1.00 0.00 H new ATOM 0 HA ILE A 58 0.358 26.931 28.626 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.642 27.009 27.730 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.890 28.620 25.826 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.449 29.447 26.383 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.204 28.904 27.861 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.534 28.476 29.454 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.922 29.904 28.585 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.108 27.813 24.609 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.865 27.342 26.149 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.599 26.502 25.584 1.00 0.00 H new ATOM 960 N TRP A 59 1.399 29.968 28.591 1.00 0.00 N ATOM 961 CA TRP A 59 2.457 30.848 28.124 1.00 0.00 C ATOM 962 C TRP A 59 3.684 30.623 29.010 1.00 0.00 C ATOM 963 O TRP A 59 4.808 30.921 28.607 1.00 0.00 O ATOM 964 CB TRP A 59 1.991 32.305 28.106 1.00 0.00 C ATOM 965 CG TRP A 59 1.235 32.731 29.367 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.045 32.490 29.683 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.768 33.489 30.474 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.374 33.033 30.908 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.763 33.659 31.405 1.00 0.00 C ATOM 970 CE3 TRP A 59 3.057 34.010 30.683 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.943 34.354 32.607 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.220 34.702 31.889 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.218 34.883 32.836 1.00 0.00 C ATOM 0 H TRP A 59 0.851 30.335 29.369 1.00 0.00 H new ATOM 0 HA TRP A 59 2.725 30.616 27.093 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.859 32.952 27.979 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.348 32.460 27.239 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.732 31.940 29.057 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.285 32.984 31.365 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.858 33.886 29.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.140 34.475 33.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.192 35.125 32.098 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.423 35.430 33.745 1.00 0.00 H new ATOM 984 N LEU A 60 3.428 30.099 30.200 1.00 0.00 N ATOM 985 CA LEU A 60 4.497 29.831 31.145 1.00 0.00 C ATOM 986 C LEU A 60 5.325 28.643 30.650 1.00 0.00 C ATOM 987 O LEU A 60 6.549 28.728 30.563 1.00 0.00 O ATOM 988 CB LEU A 60 3.932 29.641 32.554 1.00 0.00 C ATOM 989 CG LEU A 60 4.417 30.636 33.611 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.543 32.042 33.022 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.511 30.609 34.845 1.00 0.00 C ATOM 0 H LEU A 60 2.495 29.853 30.531 1.00 0.00 H new ATOM 0 HA LEU A 60 5.171 30.685 31.209 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.845 29.701 32.499 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.180 28.634 32.891 1.00 0.00 H new ATOM 0 HG LEU A 60 5.412 30.333 33.936 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.889 32.730 33.793 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.258 32.029 32.200 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.571 32.370 32.653 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.877 31.325 35.581 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.494 30.874 34.556 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.516 29.609 35.278 1.00 0.00 H new ATOM 1003 N ASN A 61 4.624 27.564 30.336 1.00 0.00 N ATOM 1004 CA ASN A 61 5.278 26.360 29.851 1.00 0.00 C ATOM 1005 C ASN A 61 6.272 26.735 28.750 1.00 0.00 C ATOM 1006 O ASN A 61 7.467 26.471 28.873 1.00 0.00 O ATOM 1007 CB ASN A 61 4.263 25.383 29.259 1.00 0.00 C ATOM 1008 CG ASN A 61 4.238 24.072 30.048 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.076 24.048 31.257 1.00 0.00 O ATOM 1010 ND2 ASN A 61 4.409 22.985 29.300 1.00 0.00 N ATOM 0 H ASN A 61 3.609 27.498 30.408 1.00 0.00 H new ATOM 0 HA ASN A 61 5.784 25.887 30.693 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.271 25.835 29.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.513 25.180 28.218 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.410 22.062 29.734 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.540 23.075 28.292 1.00 0.00 H new ATOM 1017 N PRO A 62 5.728 27.359 27.672 1.00 0.00 N ATOM 1018 CA PRO A 62 6.553 27.772 26.549 1.00 0.00 C ATOM 1019 C PRO A 62 7.372 29.016 26.900 1.00 0.00 C ATOM 1020 O PRO A 62 8.180 29.478 26.096 1.00 0.00 O ATOM 1021 CB PRO A 62 5.578 28.004 25.408 1.00 0.00 C ATOM 1022 CG PRO A 62 4.211 28.165 26.053 1.00 0.00 C ATOM 1023 CD PRO A 62 4.316 27.686 27.492 1.00 0.00 C ATOM 0 HA PRO A 62 7.295 27.022 26.273 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.848 28.893 24.838 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.585 27.165 24.712 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.893 29.207 26.020 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.463 27.586 25.512 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.996 28.459 28.191 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.683 26.816 27.667 1.00 0.00 H new ATOM 1031 N ILE A 63 7.134 29.523 28.100 1.00 0.00 N ATOM 1032 CA ILE A 63 7.839 30.705 28.567 1.00 0.00 C ATOM 1033 C ILE A 63 8.066 31.655 27.390 1.00 0.00 C ATOM 1034 O ILE A 63 9.092 31.579 26.715 1.00 0.00 O ATOM 1035 CB ILE A 63 9.125 30.308 29.295 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.759 31.519 29.984 1.00 0.00 C ATOM 1037 CG2 ILE A 63 10.102 29.614 28.344 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.698 32.363 30.695 1.00 0.00 C ATOM 0 H ILE A 63 6.463 29.137 28.764 1.00 0.00 H new ATOM 0 HA ILE A 63 7.238 31.243 29.300 1.00 0.00 H new ATOM 0 HB ILE A 63 8.869 29.590 30.074 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.505 31.183 30.705 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.281 32.130 29.247 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.007 29.342 28.887 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.638 28.715 27.939 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.357 30.290 27.528 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.175 33.217 31.176 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.968 32.718 29.968 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.195 31.756 31.448 1.00 0.00 H new ATOM 1050 N ASP A 64 7.093 32.529 27.179 1.00 0.00 N ATOM 1051 CA ASP A 64 7.174 33.493 26.095 1.00 0.00 C ATOM 1052 C ASP A 64 6.055 34.524 26.251 1.00 0.00 C ATOM 1053 O ASP A 64 4.879 34.198 26.098 1.00 0.00 O ATOM 1054 CB ASP A 64 7.003 32.811 24.737 1.00 0.00 C ATOM 1055 CG ASP A 64 6.742 31.304 24.798 1.00 0.00 C ATOM 1056 OD1 ASP A 64 7.336 30.522 24.041 1.00 0.00 O ATOM 1057 OD2 ASP A 64 5.877 30.936 25.681 1.00 0.00 O ATOM 0 H ASP A 64 6.244 32.590 27.741 1.00 0.00 H new ATOM 0 HA ASP A 64 8.154 33.968 26.139 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.176 33.287 24.210 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.901 32.985 24.144 1.00 0.00 H new ATOM 1063 N TYR A 65 6.460 35.750 26.553 1.00 0.00 N ATOM 1064 CA TYR A 65 5.506 36.831 26.732 1.00 0.00 C ATOM 1065 C TYR A 65 4.763 37.127 25.427 1.00 0.00 C ATOM 1066 O TYR A 65 3.793 37.883 25.419 1.00 0.00 O ATOM 1067 CB TYR A 65 6.329 38.058 27.127 1.00 0.00 C ATOM 1068 CG TYR A 65 5.627 38.985 28.122 1.00 0.00 C ATOM 1069 CD1 TYR A 65 4.537 39.729 27.721 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.085 39.075 29.421 1.00 0.00 C ATOM 1071 CE1 TYR A 65 3.876 40.600 28.657 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.424 39.947 30.357 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.353 40.666 29.929 1.00 0.00 C ATOM 1074 OH TYR A 65 3.728 41.490 30.814 1.00 0.00 O ATOM 0 H TYR A 65 7.436 36.018 26.678 1.00 0.00 H new ATOM 0 HA TYR A 65 4.762 36.567 27.484 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.273 37.726 27.559 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.572 38.624 26.228 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.179 39.658 26.704 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.938 38.492 29.735 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.021 41.187 28.356 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.772 40.028 31.376 1.00 0.00 H new ATOM 0 HH TYR A 65 3.739 42.408 30.470 1.00 0.00 H new ATOM 1084 N SER A 66 5.249 36.517 24.356 1.00 0.00 N ATOM 1085 CA SER A 66 4.643 36.706 23.049 1.00 0.00 C ATOM 1086 C SER A 66 3.185 36.245 23.076 1.00 0.00 C ATOM 1087 O SER A 66 2.394 36.622 22.211 1.00 0.00 O ATOM 1088 CB SER A 66 5.419 35.951 21.968 1.00 0.00 C ATOM 1089 OG SER A 66 5.296 34.539 22.112 1.00 0.00 O ATOM 0 H SER A 66 6.055 35.892 24.367 1.00 0.00 H new ATOM 0 HA SER A 66 4.676 37.768 22.807 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.054 36.249 20.985 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.472 36.230 22.015 1.00 0.00 H new ATOM 0 HG SER A 66 5.804 34.092 21.403 1.00 0.00 H new ATOM 1095 N LEU A 67 2.872 35.436 24.077 1.00 0.00 N ATOM 1096 CA LEU A 67 1.522 34.920 24.228 1.00 0.00 C ATOM 1097 C LEU A 67 0.725 35.848 25.147 1.00 0.00 C ATOM 1098 O LEU A 67 -0.504 35.807 25.162 1.00 0.00 O ATOM 1099 CB LEU A 67 1.554 33.465 24.703 1.00 0.00 C ATOM 1100 CG LEU A 67 0.196 32.773 24.837 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.365 31.258 24.965 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.606 33.361 25.999 1.00 0.00 C ATOM 0 H LEU A 67 3.530 35.125 24.792 1.00 0.00 H new ATOM 0 HA LEU A 67 1.010 34.907 23.266 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.165 32.890 24.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.054 33.431 25.671 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.374 32.958 23.927 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.615 30.789 25.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.869 30.872 24.079 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.962 31.032 25.849 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.567 32.852 26.072 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.052 33.227 26.928 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.771 34.424 25.826 1.00 0.00 H new ATOM 1114 N LEU A 68 1.458 36.664 25.891 1.00 0.00 N ATOM 1115 CA LEU A 68 0.835 37.601 26.810 1.00 0.00 C ATOM 1116 C LEU A 68 0.122 38.694 26.013 1.00 0.00 C ATOM 1117 O LEU A 68 -1.095 38.849 26.114 1.00 0.00 O ATOM 1118 CB LEU A 68 1.864 38.140 27.807 1.00 0.00 C ATOM 1119 CG LEU A 68 1.814 37.539 29.213 1.00 0.00 C ATOM 1120 CD1 LEU A 68 2.669 38.352 30.187 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.370 37.398 29.698 1.00 0.00 C ATOM 0 H LEU A 68 2.477 36.695 25.876 1.00 0.00 H new ATOM 0 HA LEU A 68 0.077 37.097 27.410 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.860 37.973 27.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.730 39.219 27.889 1.00 0.00 H new ATOM 0 HG LEU A 68 2.239 36.536 29.171 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.616 37.904 31.179 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.704 38.357 29.846 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.297 39.375 30.231 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.363 36.968 30.700 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.104 38.379 29.721 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.180 36.745 29.020 1.00 0.00 H new ATOM 1133 N ALA A 69 0.909 39.424 25.235 1.00 0.00 N ATOM 1134 CA ALA A 69 0.368 40.498 24.420 1.00 0.00 C ATOM 1135 C ALA A 69 -0.815 39.969 23.606 1.00 0.00 C ATOM 1136 O ALA A 69 -1.666 40.739 23.167 1.00 0.00 O ATOM 1137 CB ALA A 69 1.474 41.074 23.534 1.00 0.00 C ATOM 0 H ALA A 69 1.917 39.292 25.152 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.001 41.308 25.049 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.068 41.880 22.923 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.277 41.463 24.161 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.867 40.290 22.887 1.00 0.00 H new ATOM 1143 N SER A 70 -0.830 38.655 23.428 1.00 0.00 N ATOM 1144 CA SER A 70 -1.894 38.014 22.674 1.00 0.00 C ATOM 1145 C SER A 70 -3.173 37.968 23.512 1.00 0.00 C ATOM 1146 O SER A 70 -4.273 38.112 22.979 1.00 0.00 O ATOM 1147 CB SER A 70 -1.490 36.602 22.244 1.00 0.00 C ATOM 1148 OG SER A 70 -2.488 35.983 21.438 1.00 0.00 O ATOM 0 H SER A 70 -0.122 38.018 23.793 1.00 0.00 H new ATOM 0 HA SER A 70 -2.078 38.600 21.774 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.553 36.646 21.690 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.309 35.992 23.129 1.00 0.00 H new ATOM 0 HG SER A 70 -2.192 35.084 21.183 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.987 37.766 24.808 1.00 0.00 N ATOM 1155 CA LEU A 71 -4.114 37.700 25.724 1.00 0.00 C ATOM 1156 C LEU A 71 -4.934 38.986 25.611 1.00 0.00 C ATOM 1157 O LEU A 71 -6.163 38.944 25.605 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.632 37.400 27.145 1.00 0.00 C ATOM 1159 CG LEU A 71 -4.038 36.041 27.719 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.833 35.104 27.815 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.748 36.203 29.064 1.00 0.00 C ATOM 0 H LEU A 71 -2.074 37.646 25.246 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.775 36.876 25.456 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.544 37.468 27.160 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.009 38.179 27.807 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.750 35.580 27.034 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.149 34.145 28.226 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.411 34.951 26.822 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.079 35.547 28.466 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.026 35.222 29.449 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.080 36.695 29.771 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.645 36.808 28.931 1.00 0.00 H new ATOM 1173 N ILE A 72 -4.221 40.099 25.526 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.868 41.395 25.413 1.00 0.00 C ATOM 1175 C ILE A 72 -5.613 41.475 24.081 1.00 0.00 C ATOM 1176 O ILE A 72 -5.028 41.246 23.023 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.851 42.520 25.618 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -3.168 42.402 26.982 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.503 43.891 25.420 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.820 43.124 26.985 1.00 0.00 C ATOM 0 H ILE A 72 -3.202 40.130 25.533 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.611 41.520 26.201 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.074 42.420 24.860 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.812 42.824 27.753 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.022 41.351 27.230 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.759 44.673 25.571 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.903 43.961 24.408 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.312 44.016 26.139 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.356 43.024 27.966 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.169 42.683 26.230 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.972 44.180 26.761 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.929 41.809 24.176 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.760 41.922 22.991 1.00 0.00 C ATOM 1194 C PRO A 73 -7.453 43.210 22.226 1.00 0.00 C ATOM 1195 O PRO A 73 -8.366 43.944 21.846 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.189 41.863 23.505 1.00 0.00 C ATOM 1197 CG PRO A 73 -9.112 42.187 24.988 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.655 42.087 25.411 1.00 0.00 C ATOM 0 HA PRO A 73 -7.576 41.124 22.272 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.822 42.579 22.981 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.622 40.876 23.343 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.498 43.188 25.181 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.725 41.493 25.563 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.312 43.013 25.872 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.509 41.293 26.144 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.166 43.448 22.022 1.00 0.00 N ATOM 1207 CA LYS A 74 -5.727 44.636 21.309 1.00 0.00 C ATOM 1208 C LYS A 74 -6.816 45.707 21.393 1.00 0.00 C ATOM 1209 O LYS A 74 -7.728 45.735 20.569 1.00 0.00 O ATOM 1210 CB LYS A 74 -5.321 44.282 19.877 1.00 0.00 C ATOM 1211 CG LYS A 74 -5.047 45.544 19.057 1.00 0.00 C ATOM 1212 CD LYS A 74 -3.703 46.166 19.442 1.00 0.00 C ATOM 1213 CE LYS A 74 -3.877 47.626 19.867 1.00 0.00 C ATOM 1214 NZ LYS A 74 -3.076 47.911 21.079 1.00 0.00 N ATOM 0 H LYS A 74 -5.412 42.838 22.338 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.834 45.052 21.775 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.430 43.654 19.892 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.113 43.701 19.404 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.048 45.299 17.995 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.846 46.267 19.218 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.255 45.597 20.257 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.016 46.109 18.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.569 48.286 19.056 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.929 47.831 20.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.110 48.930 21.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.465 47.381 21.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.090 47.623 20.919 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.685 46.562 22.396 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.645 47.632 22.599 1.00 0.00 C ATOM 1229 C GLY A 75 -7.953 47.820 24.085 1.00 0.00 C ATOM 1230 O GLY A 75 -8.639 48.767 24.468 1.00 0.00 O ATOM 0 H GLY A 75 -5.927 46.535 23.078 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.252 48.561 22.185 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.565 47.407 22.059 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.432 46.901 24.886 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.642 46.952 26.322 1.00 0.00 C ATOM 1236 C TYR A 76 -7.463 48.377 26.851 1.00 0.00 C ATOM 1237 O TYR A 76 -6.938 49.241 26.151 1.00 0.00 O ATOM 1238 CB TYR A 76 -6.568 46.054 26.938 1.00 0.00 C ATOM 1239 CG TYR A 76 -7.115 45.004 27.907 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -8.260 44.302 27.589 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.465 44.760 29.099 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.775 43.314 28.501 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.980 43.772 30.011 1.00 0.00 C ATOM 1244 CZ TYR A 76 -8.109 43.098 29.668 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.596 42.165 30.529 1.00 0.00 O ATOM 0 H TYR A 76 -6.864 46.116 24.566 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.652 46.628 26.574 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.029 45.548 26.137 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.846 46.678 27.464 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.770 44.494 26.656 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.570 45.310 29.348 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.669 42.757 28.264 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.480 43.571 30.947 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.019 42.117 31.320 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.923 48.583 28.115 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.819 49.887 28.745 1.00 0.00 C ATOM 1257 C PRO A 77 -6.382 50.171 29.186 1.00 0.00 C ATOM 1258 O PRO A 77 -5.469 49.410 28.865 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.797 49.841 29.909 1.00 0.00 C ATOM 1260 CG PRO A 77 -9.068 48.367 30.167 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.550 47.582 28.973 1.00 0.00 C ATOM 0 HA PRO A 77 -8.066 50.702 28.065 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.376 50.321 30.792 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.718 50.371 29.667 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.572 48.042 31.082 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.135 48.193 30.304 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.834 46.820 29.281 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.360 47.068 28.455 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.224 51.267 29.913 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.913 51.661 30.399 1.00 0.00 C ATOM 1271 C GLY A 78 -3.868 51.582 29.285 1.00 0.00 C ATOM 1272 O GLY A 78 -4.204 51.318 28.131 1.00 0.00 O ATOM 0 H GLY A 78 -6.983 51.895 30.177 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.957 52.678 30.790 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.618 51.014 31.225 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.622 51.816 29.668 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.525 51.775 28.715 1.00 0.00 C ATOM 1278 C ARG A 79 -0.670 50.528 28.944 1.00 0.00 C ATOM 1279 O ARG A 79 0.505 50.501 28.579 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.644 53.019 28.836 1.00 0.00 C ATOM 1281 CG ARG A 79 -0.577 53.776 27.508 1.00 0.00 C ATOM 1282 CD ARG A 79 -0.890 55.261 27.706 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.569 55.800 26.507 1.00 0.00 N ATOM 1284 CZ ARG A 79 -2.854 55.539 26.184 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -3.611 54.743 26.969 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -3.359 56.073 25.088 1.00 0.00 N ATOM 0 H ARG A 79 -2.347 52.035 30.626 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.956 51.745 27.714 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.039 53.674 29.612 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.360 52.729 29.144 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.416 53.665 27.072 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.285 53.342 26.802 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.523 55.394 28.583 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.031 55.814 27.892 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.033 56.406 25.886 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.213 54.333 27.814 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.581 54.552 26.717 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.781 56.673 24.500 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.328 55.886 24.829 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.291 49.525 29.547 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.601 48.278 29.829 1.00 0.00 C ATOM 1301 C VAL A 80 -0.069 47.688 28.521 1.00 0.00 C ATOM 1302 O VAL A 80 1.075 47.242 28.458 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.531 47.324 30.581 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.763 46.041 29.780 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.983 47.009 31.975 1.00 0.00 C ATOM 0 H VAL A 80 -2.265 49.551 29.848 1.00 0.00 H new ATOM 0 HA VAL A 80 0.256 48.454 30.479 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.493 47.821 30.704 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.427 45.380 30.336 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.217 46.288 28.821 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.810 45.540 29.612 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.663 46.329 32.488 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.003 46.541 31.883 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.893 47.932 32.548 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.926 47.705 27.510 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.556 47.177 26.208 1.00 0.00 C ATOM 1317 C VAL A 81 0.586 48.013 25.628 1.00 0.00 C ATOM 1318 O VAL A 81 1.507 47.475 25.017 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.783 47.128 25.296 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.503 46.294 24.044 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -3.004 46.594 26.048 1.00 0.00 C ATOM 0 H VAL A 81 -1.875 48.076 27.566 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.194 46.153 26.300 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.004 48.147 24.978 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.392 46.275 23.413 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.674 46.735 23.491 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.244 45.276 24.335 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.863 46.569 25.377 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.797 45.587 26.409 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.224 47.245 26.894 1.00 0.00 H new ATOM 1331 N GLU A 82 0.490 49.318 25.842 1.00 0.00 N ATOM 1332 CA GLU A 82 1.503 50.234 25.349 1.00 0.00 C ATOM 1333 C GLU A 82 2.882 49.837 25.881 1.00 0.00 C ATOM 1334 O GLU A 82 3.900 50.117 25.249 1.00 0.00 O ATOM 1335 CB GLU A 82 1.167 51.678 25.724 1.00 0.00 C ATOM 1336 CG GLU A 82 0.747 52.482 24.491 1.00 0.00 C ATOM 1337 CD GLU A 82 1.881 53.394 24.020 1.00 0.00 C ATOM 1338 OE1 GLU A 82 1.742 54.626 24.057 1.00 0.00 O ATOM 1339 OE2 GLU A 82 2.938 52.782 23.606 1.00 0.00 O ATOM 0 H GLU A 82 -0.275 49.762 26.351 1.00 0.00 H new ATOM 0 HA GLU A 82 1.522 50.171 24.261 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.363 51.689 26.460 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.033 52.147 26.191 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.465 51.802 23.687 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.133 53.081 24.725 1.00 0.00 H new ATOM 1347 N ILE A 83 2.871 49.190 27.037 1.00 0.00 N ATOM 1348 CA ILE A 83 4.108 48.752 27.661 1.00 0.00 C ATOM 1349 C ILE A 83 4.612 47.491 26.954 1.00 0.00 C ATOM 1350 O ILE A 83 5.814 47.233 26.920 1.00 0.00 O ATOM 1351 CB ILE A 83 3.915 48.577 29.168 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.282 49.824 29.789 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.232 48.204 29.851 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.470 49.464 31.034 1.00 0.00 C ATOM 0 H ILE A 83 2.025 48.959 27.558 1.00 0.00 H new ATOM 0 HA ILE A 83 4.882 49.512 27.549 1.00 0.00 H new ATOM 0 HB ILE A 83 3.223 47.750 29.329 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.061 50.539 30.053 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.637 50.311 29.058 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.066 48.086 30.922 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.605 47.267 29.436 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.965 48.993 29.683 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.031 50.368 31.456 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.677 48.768 30.762 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.123 48.999 31.773 1.00 0.00 H new ATOM 1366 N ILE A 84 3.667 46.740 26.409 1.00 0.00 N ATOM 1367 CA ILE A 84 3.999 45.513 25.705 1.00 0.00 C ATOM 1368 C ILE A 84 4.361 45.843 24.256 1.00 0.00 C ATOM 1369 O ILE A 84 5.270 45.242 23.687 1.00 0.00 O ATOM 1370 CB ILE A 84 2.866 44.494 25.839 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.107 44.688 27.155 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.391 43.066 25.686 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.202 43.490 27.447 1.00 0.00 C ATOM 0 H ILE A 84 2.671 46.957 26.441 1.00 0.00 H new ATOM 0 HA ILE A 84 4.874 45.042 26.153 1.00 0.00 H new ATOM 0 HB ILE A 84 2.157 44.664 25.029 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.816 44.820 27.972 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.508 45.597 27.103 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.565 42.362 25.786 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.850 42.950 24.704 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.133 42.866 26.459 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.675 43.653 28.387 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.478 43.375 26.640 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.807 42.587 27.523 1.00 0.00 H new ATOM 1385 N ASN A 85 3.629 46.798 23.700 1.00 0.00 N ATOM 1386 CA ASN A 85 3.861 47.215 22.328 1.00 0.00 C ATOM 1387 C ASN A 85 5.339 47.567 22.149 1.00 0.00 C ATOM 1388 O ASN A 85 5.875 47.473 21.046 1.00 0.00 O ATOM 1389 CB ASN A 85 3.034 48.455 21.981 1.00 0.00 C ATOM 1390 CG ASN A 85 1.713 48.064 21.317 1.00 0.00 C ATOM 1391 OD1 ASN A 85 1.491 46.926 20.936 1.00 0.00 O ATOM 1392 ND2 ASN A 85 0.849 49.069 21.198 1.00 0.00 N ATOM 0 H ASN A 85 2.875 47.294 24.175 1.00 0.00 H new ATOM 0 HA ASN A 85 3.571 46.394 21.673 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.834 49.029 22.886 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.604 49.101 21.313 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.062 48.910 20.767 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.097 49.998 21.538 1.00 0.00 H new ATOM 1399 N ILE A 86 5.957 47.965 23.251 1.00 0.00 N ATOM 1400 CA ILE A 86 7.363 48.331 23.231 1.00 0.00 C ATOM 1401 C ILE A 86 8.215 47.063 23.160 1.00 0.00 C ATOM 1402 O ILE A 86 9.259 47.049 22.508 1.00 0.00 O ATOM 1403 CB ILE A 86 7.699 49.233 24.421 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.151 50.646 24.211 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.204 49.237 24.698 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.854 51.323 25.550 1.00 0.00 C ATOM 0 H ILE A 86 5.509 48.042 24.164 1.00 0.00 H new ATOM 0 HA ILE A 86 7.591 48.918 22.341 1.00 0.00 H new ATOM 0 HB ILE A 86 7.209 48.827 25.306 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.873 51.240 23.651 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.241 50.602 23.612 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.416 49.885 25.548 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.535 48.223 24.924 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.735 49.605 23.820 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.466 52.326 25.372 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.114 50.739 26.097 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.771 51.387 26.136 1.00 0.00 H new ATOM 1418 N LEU A 87 7.739 46.030 23.838 1.00 0.00 N ATOM 1419 CA LEU A 87 8.445 44.760 23.859 1.00 0.00 C ATOM 1420 C LEU A 87 8.223 44.035 22.530 1.00 0.00 C ATOM 1421 O LEU A 87 9.158 43.472 21.963 1.00 0.00 O ATOM 1422 CB LEU A 87 8.033 43.939 25.084 1.00 0.00 C ATOM 1423 CG LEU A 87 7.841 44.723 26.382 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.335 43.812 27.503 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.124 45.456 26.776 1.00 0.00 C ATOM 0 H LEU A 87 6.873 46.046 24.377 1.00 0.00 H new ATOM 0 HA LEU A 87 9.518 44.922 23.958 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.101 43.422 24.854 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.789 43.173 25.254 1.00 0.00 H new ATOM 0 HG LEU A 87 7.077 45.481 26.212 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.207 44.395 28.415 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.379 43.376 27.214 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.058 43.016 27.679 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.959 46.006 27.703 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.926 44.733 26.921 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.402 46.153 25.986 1.00 0.00 H new ATOM 1437 N VAL A 88 6.981 44.074 22.071 1.00 0.00 N ATOM 1438 CA VAL A 88 6.625 43.428 20.820 1.00 0.00 C ATOM 1439 C VAL A 88 7.450 44.036 19.684 1.00 0.00 C ATOM 1440 O VAL A 88 8.017 43.313 18.867 1.00 0.00 O ATOM 1441 CB VAL A 88 5.116 43.536 20.586 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.778 43.371 19.103 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.355 42.518 21.439 1.00 0.00 C ATOM 0 H VAL A 88 6.208 44.543 22.544 1.00 0.00 H new ATOM 0 HA VAL A 88 6.860 42.364 20.860 1.00 0.00 H new ATOM 0 HB VAL A 88 4.800 44.533 20.892 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.700 43.452 18.964 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.277 44.150 18.527 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.116 42.393 18.759 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.285 42.616 21.254 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.678 41.510 21.177 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.559 42.702 22.494 1.00 0.00 H new ATOM 1453 N LYS A 89 7.491 45.361 19.669 1.00 0.00 N ATOM 1454 CA LYS A 89 8.238 46.075 18.647 1.00 0.00 C ATOM 1455 C LYS A 89 9.712 45.672 18.724 1.00 0.00 C ATOM 1456 O LYS A 89 10.472 45.903 17.785 1.00 0.00 O ATOM 1457 CB LYS A 89 8.005 47.582 18.768 1.00 0.00 C ATOM 1458 CG LYS A 89 8.033 48.253 17.393 1.00 0.00 C ATOM 1459 CD LYS A 89 6.668 48.853 17.048 1.00 0.00 C ATOM 1460 CE LYS A 89 6.685 50.376 17.200 1.00 0.00 C ATOM 1461 NZ LYS A 89 5.811 51.006 16.185 1.00 0.00 N ATOM 0 H LYS A 89 7.019 45.958 20.348 1.00 0.00 H new ATOM 0 HA LYS A 89 7.884 45.800 17.654 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.044 47.768 19.248 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.771 48.022 19.407 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.792 49.036 17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.316 47.524 16.634 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.398 48.589 16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.904 48.427 17.699 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.349 50.652 18.200 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.704 50.747 17.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.833 52.039 16.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.149 50.757 15.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.836 50.665 16.306 1.00 0.00 H new ATOM 1474 N ASN A 90 10.072 45.075 19.851 1.00 0.00 N ATOM 1475 CA ASN A 90 11.440 44.637 20.062 1.00 0.00 C ATOM 1476 C ASN A 90 11.558 43.153 19.711 1.00 0.00 C ATOM 1477 O ASN A 90 12.662 42.633 19.558 1.00 0.00 O ATOM 1478 CB ASN A 90 11.854 44.811 21.525 1.00 0.00 C ATOM 1479 CG ASN A 90 13.322 44.427 21.729 1.00 0.00 C ATOM 1480 OD1 ASN A 90 14.195 44.777 20.952 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.543 43.690 22.814 1.00 0.00 N ATOM 0 H ASN A 90 9.439 44.885 20.628 1.00 0.00 H new ATOM 0 HA ASN A 90 12.088 45.242 19.428 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.699 45.846 21.830 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.221 44.193 22.162 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.490 43.383 23.038 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.766 43.432 23.422 1.00 0.00 H new