USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=7 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 Set 1.1: A 22 HIS : no HD1:sc= -5.02! C(o=-13!,f=-17!) USER MOD Set 1.2: A 23 HIS : no HD1:sc= -8.05! C(o=-13!,f=-19!) USER MOD Single : A 21 THR OG1 : rot 41:sc= 0.0216 USER MOD Single : A 26 ASN : amide:sc= -6.75! C(o=-6.7!,f=-6!) USER MOD Single : A 29 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00727 X(o=-0.0073,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.065) 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= -3.81! USER MOD Single : A 61 ASN : amide:sc= -0.468 K(o=-0.47,f=-3.4!) USER MOD Single : A 65 TYR OH : rot -177:sc= -3.44! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0398 USER MOD Single : A 85 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.508 37.161 36.888 1.00 0.00 N ATOM 313 CA THR A 21 13.026 38.519 36.881 1.00 0.00 C ATOM 314 C THR A 21 13.822 38.780 35.601 1.00 0.00 C ATOM 315 O THR A 21 14.736 39.602 35.590 1.00 0.00 O ATOM 316 CB THR A 21 13.847 38.717 38.157 1.00 0.00 C ATOM 317 OG1 THR A 21 12.867 38.898 39.177 1.00 0.00 O ATOM 318 CG2 THR A 21 14.628 40.033 38.153 1.00 0.00 C ATOM 0 HA THR A 21 12.218 39.251 36.879 1.00 0.00 H new ATOM 0 HB THR A 21 14.540 37.884 38.275 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.127 38.271 39.035 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.193 40.124 39.081 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.315 40.046 37.307 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.933 40.868 38.069 1.00 0.00 H new ATOM 326 N HIS A 22 13.444 38.064 34.551 1.00 0.00 N ATOM 327 CA HIS A 22 14.110 38.209 33.269 1.00 0.00 C ATOM 328 C HIS A 22 13.085 38.583 32.197 1.00 0.00 C ATOM 329 O HIS A 22 13.330 39.470 31.381 1.00 0.00 O ATOM 330 CB HIS A 22 14.896 36.944 32.920 1.00 0.00 C ATOM 331 CG HIS A 22 14.137 35.661 33.165 1.00 0.00 C ATOM 332 ND1 HIS A 22 14.212 34.962 34.357 1.00 0.00 N ATOM 333 CD2 HIS A 22 13.289 34.960 32.359 1.00 0.00 C ATOM 334 CE1 HIS A 22 13.440 33.890 34.263 1.00 0.00 C ATOM 335 NE2 HIS A 22 12.868 33.890 33.024 1.00 0.00 N ATOM 0 H HIS A 22 12.685 37.382 34.563 1.00 0.00 H new ATOM 0 HA HIS A 22 14.839 39.018 33.324 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.187 36.987 31.870 1.00 0.00 H new ATOM 0 HB3 HIS A 22 15.816 36.927 33.505 1.00 0.00 H new ATOM 0 HD2 HIS A 22 13.008 35.229 31.352 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.290 33.147 35.032 1.00 0.00 H new ATOM 0 HE2 HIS A 22 12.223 33.185 32.667 1.00 0.00 H new ATOM 343 N HIS A 23 11.957 37.889 32.234 1.00 0.00 N ATOM 344 CA HIS A 23 10.892 38.138 31.276 1.00 0.00 C ATOM 345 C HIS A 23 10.021 39.297 31.766 1.00 0.00 C ATOM 346 O HIS A 23 9.452 40.033 30.963 1.00 0.00 O ATOM 347 CB HIS A 23 10.090 36.863 31.012 1.00 0.00 C ATOM 348 CG HIS A 23 9.875 36.008 32.238 1.00 0.00 C ATOM 349 ND1 HIS A 23 10.507 34.789 32.422 1.00 0.00 N ATOM 350 CD2 HIS A 23 9.094 36.207 33.339 1.00 0.00 C ATOM 351 CE1 HIS A 23 10.116 34.287 33.585 1.00 0.00 C ATOM 352 NE2 HIS A 23 9.240 35.166 34.150 1.00 0.00 N ATOM 0 H HIS A 23 11.757 37.154 32.912 1.00 0.00 H new ATOM 0 HA HIS A 23 11.321 38.432 30.318 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.120 37.136 30.597 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.606 36.272 30.255 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.464 37.065 33.520 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.435 33.347 34.010 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.773 35.044 35.049 1.00 0.00 H new ATOM 360 N TRP A 24 9.945 39.421 33.084 1.00 0.00 N ATOM 361 CA TRP A 24 9.153 40.476 33.690 1.00 0.00 C ATOM 362 C TRP A 24 9.918 41.791 33.534 1.00 0.00 C ATOM 363 O TRP A 24 9.335 42.817 33.187 1.00 0.00 O ATOM 364 CB TRP A 24 8.822 40.146 35.148 1.00 0.00 C ATOM 365 CG TRP A 24 8.233 41.319 35.934 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.651 41.820 37.104 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.095 42.121 35.556 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.868 42.883 37.507 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.892 43.072 36.535 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.265 42.047 34.424 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.863 44.020 36.482 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.240 43.001 34.386 1.00 0.00 C ATOM 373 CH2 TRP A 24 5.023 43.964 35.364 1.00 0.00 C ATOM 0 H TRP A 24 10.419 38.808 33.747 1.00 0.00 H new ATOM 0 HA TRP A 24 8.190 40.572 33.188 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.116 39.316 35.170 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.729 39.806 35.648 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.494 41.440 37.662 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.984 43.429 38.361 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.406 41.313 33.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.725 44.755 37.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.572 42.987 33.538 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.209 44.667 35.262 1.00 0.00 H new ATOM 384 N LEU A 25 11.215 41.719 33.799 1.00 0.00 N ATOM 385 CA LEU A 25 12.067 42.891 33.692 1.00 0.00 C ATOM 386 C LEU A 25 11.873 43.535 32.317 1.00 0.00 C ATOM 387 O LEU A 25 12.050 44.741 32.163 1.00 0.00 O ATOM 388 CB LEU A 25 13.521 42.526 34.001 1.00 0.00 C ATOM 389 CG LEU A 25 14.426 43.683 34.429 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.726 44.575 35.458 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.772 43.166 34.940 1.00 0.00 C ATOM 0 H LEU A 25 11.696 40.867 34.088 1.00 0.00 H new ATOM 0 HA LEU A 25 11.784 43.636 34.435 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.526 41.775 34.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.954 42.060 33.116 1.00 0.00 H new ATOM 0 HG LEU A 25 14.629 44.300 33.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.391 45.390 35.746 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.815 44.986 35.023 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.473 43.985 36.339 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.396 44.009 35.238 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.609 42.514 35.798 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.271 42.607 34.149 1.00 0.00 H new ATOM 403 N ASN A 26 11.511 42.699 31.354 1.00 0.00 N ATOM 404 CA ASN A 26 11.291 43.171 29.999 1.00 0.00 C ATOM 405 C ASN A 26 10.078 44.104 29.977 1.00 0.00 C ATOM 406 O ASN A 26 10.037 45.058 29.204 1.00 0.00 O ATOM 407 CB ASN A 26 11.007 42.005 29.049 1.00 0.00 C ATOM 408 CG ASN A 26 10.652 42.512 27.649 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.310 43.373 27.087 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.578 41.932 27.120 1.00 0.00 N ATOM 0 H ASN A 26 11.365 41.698 31.486 1.00 0.00 H new ATOM 0 HA ASN A 26 12.192 43.691 29.674 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.880 41.355 28.994 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.187 41.404 29.441 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.259 42.201 26.189 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.073 41.218 27.645 1.00 0.00 H new ATOM 417 N PHE A 27 9.120 43.794 30.838 1.00 0.00 N ATOM 418 CA PHE A 27 7.909 44.593 30.929 1.00 0.00 C ATOM 419 C PHE A 27 8.102 45.776 31.880 1.00 0.00 C ATOM 420 O PHE A 27 7.632 46.879 31.607 1.00 0.00 O ATOM 421 CB PHE A 27 6.812 43.682 31.485 1.00 0.00 C ATOM 422 CG PHE A 27 5.393 44.206 31.258 1.00 0.00 C ATOM 423 CD1 PHE A 27 5.029 45.419 31.753 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.496 43.459 30.561 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.712 45.906 31.541 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.179 43.946 30.350 1.00 0.00 C ATOM 427 CZ PHE A 27 2.815 45.159 30.845 1.00 0.00 C ATOM 0 H PHE A 27 9.157 43.001 31.479 1.00 0.00 H new ATOM 0 HA PHE A 27 7.651 44.989 29.947 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.903 42.698 31.024 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.972 43.549 32.555 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.741 46.012 32.307 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.785 42.495 30.168 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.423 46.870 31.933 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.466 43.353 29.796 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.813 45.529 30.685 1.00 0.00 H new ATOM 437 N LEU A 28 8.795 45.506 32.977 1.00 0.00 N ATOM 438 CA LEU A 28 9.056 46.534 33.969 1.00 0.00 C ATOM 439 C LEU A 28 9.963 47.606 33.360 1.00 0.00 C ATOM 440 O LEU A 28 10.137 48.678 33.938 1.00 0.00 O ATOM 441 CB LEU A 28 9.615 45.912 35.250 1.00 0.00 C ATOM 442 CG LEU A 28 9.734 46.849 36.455 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.488 47.727 36.590 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.023 46.063 37.735 1.00 0.00 C ATOM 0 H LEU A 28 9.184 44.590 33.200 1.00 0.00 H new ATOM 0 HA LEU A 28 8.128 47.027 34.259 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.979 45.072 35.530 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.603 45.506 35.032 1.00 0.00 H new ATOM 0 HG LEU A 28 10.581 47.514 36.289 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.597 48.383 37.453 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.368 48.329 35.689 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.610 47.095 36.724 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.103 46.753 38.575 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.213 45.358 37.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.960 45.517 37.623 1.00 0.00 H new ATOM 456 N GLN A 29 10.515 47.279 32.201 1.00 0.00 N ATOM 457 CA GLN A 29 11.398 48.201 31.508 1.00 0.00 C ATOM 458 C GLN A 29 10.585 49.177 30.656 1.00 0.00 C ATOM 459 O GLN A 29 10.693 50.391 30.822 1.00 0.00 O ATOM 460 CB GLN A 29 12.418 47.445 30.653 1.00 0.00 C ATOM 461 CG GLN A 29 13.604 48.342 30.292 1.00 0.00 C ATOM 462 CD GLN A 29 14.299 47.848 29.022 1.00 0.00 C ATOM 463 OE1 GLN A 29 13.692 47.270 28.136 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.603 48.108 28.982 1.00 0.00 N ATOM 0 H GLN A 29 10.368 46.389 31.725 1.00 0.00 H new ATOM 0 HA GLN A 29 11.950 48.774 32.253 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.773 46.568 31.194 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.939 47.085 29.742 1.00 0.00 H new ATOM 0 HG2 GLN A 29 13.259 49.366 30.147 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.316 48.359 31.117 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.050 48.596 29.758 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.156 47.819 28.175 1.00 0.00 H new ATOM 473 N ALA A 30 9.789 48.610 29.761 1.00 0.00 N ATOM 474 CA ALA A 30 8.957 49.414 28.882 1.00 0.00 C ATOM 475 C ALA A 30 8.031 50.293 29.727 1.00 0.00 C ATOM 476 O ALA A 30 7.851 51.473 29.433 1.00 0.00 O ATOM 477 CB ALA A 30 8.184 48.499 27.930 1.00 0.00 C ATOM 0 H ALA A 30 9.703 47.603 29.626 1.00 0.00 H new ATOM 0 HA ALA A 30 9.572 50.074 28.270 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.560 49.103 27.271 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.887 47.918 27.333 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.553 47.823 28.507 1.00 0.00 H new ATOM 483 N ALA A 31 7.467 49.681 30.759 1.00 0.00 N ATOM 484 CA ALA A 31 6.564 50.392 31.647 1.00 0.00 C ATOM 485 C ALA A 31 7.282 51.613 32.227 1.00 0.00 C ATOM 486 O ALA A 31 6.675 52.668 32.404 1.00 0.00 O ATOM 487 CB ALA A 31 6.062 49.440 32.735 1.00 0.00 C ATOM 0 H ALA A 31 7.618 48.701 30.999 1.00 0.00 H new ATOM 0 HA ALA A 31 5.692 50.751 31.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.384 49.974 33.401 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.534 48.606 32.273 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.909 49.062 33.307 1.00 0.00 H new ATOM 493 N TYR A 32 8.564 51.427 32.506 1.00 0.00 N ATOM 494 CA TYR A 32 9.371 52.500 33.062 1.00 0.00 C ATOM 495 C TYR A 32 9.675 53.563 32.005 1.00 0.00 C ATOM 496 O TYR A 32 10.051 54.686 32.337 1.00 0.00 O ATOM 497 CB TYR A 32 10.683 51.853 33.509 1.00 0.00 C ATOM 498 CG TYR A 32 11.222 52.390 34.836 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.833 53.626 34.883 1.00 0.00 C ATOM 500 CD2 TYR A 32 11.096 51.638 35.987 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.341 54.131 36.132 1.00 0.00 C ATOM 502 CE2 TYR A 32 11.603 52.144 37.237 1.00 0.00 C ATOM 503 CZ TYR A 32 12.200 53.365 37.247 1.00 0.00 C ATOM 504 OH TYR A 32 12.679 53.843 38.428 1.00 0.00 O ATOM 0 H TYR A 32 9.063 50.550 32.358 1.00 0.00 H new ATOM 0 HA TYR A 32 8.845 52.989 33.882 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.533 50.777 33.598 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.434 52.007 32.735 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.930 54.215 33.983 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.617 50.671 35.950 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.823 55.096 36.182 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.511 51.567 38.145 1.00 0.00 H new ATOM 0 HH TYR A 32 12.508 53.190 39.139 1.00 0.00 H new ATOM 514 N ARG A 33 9.501 53.171 30.751 1.00 0.00 N ATOM 515 CA ARG A 33 9.751 54.076 29.642 1.00 0.00 C ATOM 516 C ARG A 33 8.507 54.916 29.351 1.00 0.00 C ATOM 517 O ARG A 33 8.561 55.862 28.566 1.00 0.00 O ATOM 518 CB ARG A 33 10.145 53.305 28.380 1.00 0.00 C ATOM 519 CG ARG A 33 11.365 53.938 27.709 1.00 0.00 C ATOM 520 CD ARG A 33 12.237 52.872 27.041 1.00 0.00 C ATOM 521 NE ARG A 33 11.756 52.614 25.666 1.00 0.00 N ATOM 522 CZ ARG A 33 11.773 53.529 24.672 1.00 0.00 C ATOM 523 NH1 ARG A 33 12.251 54.772 24.895 1.00 0.00 N ATOM 524 NH2 ARG A 33 11.317 53.190 23.482 1.00 0.00 N ATOM 0 H ARG A 33 9.190 52.239 30.479 1.00 0.00 H new ATOM 0 HA ARG A 33 10.575 54.730 29.927 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.364 52.268 28.636 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.308 53.291 27.682 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.039 54.665 26.965 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.952 54.481 28.450 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.275 53.203 27.016 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.210 51.951 27.623 1.00 0.00 H new ATOM 0 HE ARG A 33 11.388 51.686 25.455 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.602 55.025 25.819 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.261 55.458 24.140 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.958 52.249 23.322 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.323 53.869 22.721 1.00 0.00 H new ATOM 537 N LEU A 34 7.414 54.542 29.999 1.00 0.00 N ATOM 538 CA LEU A 34 6.157 55.250 29.820 1.00 0.00 C ATOM 539 C LEU A 34 5.790 55.966 31.121 1.00 0.00 C ATOM 540 O LEU A 34 6.630 56.123 32.006 1.00 0.00 O ATOM 541 CB LEU A 34 5.073 54.296 29.315 1.00 0.00 C ATOM 542 CG LEU A 34 5.491 53.334 28.201 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.397 52.300 27.930 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.883 54.098 26.935 1.00 0.00 C ATOM 0 H LEU A 34 7.372 53.757 30.649 1.00 0.00 H new ATOM 0 HA LEU A 34 6.257 56.017 29.052 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.713 53.708 30.159 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.232 54.890 28.958 1.00 0.00 H new ATOM 0 HG LEU A 34 6.374 52.789 28.535 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.720 51.629 27.134 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.208 51.724 28.836 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.482 52.809 27.627 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.176 53.391 26.159 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.034 54.687 26.588 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.719 54.762 27.155 1.00 0.00 H new ATOM 665 N PHE A 43 1.463 50.072 39.037 1.00 0.00 N ATOM 666 CA PHE A 43 1.666 48.640 38.909 1.00 0.00 C ATOM 667 C PHE A 43 0.392 47.871 39.263 1.00 0.00 C ATOM 668 O PHE A 43 0.272 46.685 38.955 1.00 0.00 O ATOM 669 CB PHE A 43 2.770 48.255 39.896 1.00 0.00 C ATOM 670 CG PHE A 43 4.171 48.692 39.464 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.553 48.563 38.164 1.00 0.00 C ATOM 672 CD2 PHE A 43 5.036 49.207 40.378 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.854 48.968 37.763 1.00 0.00 C ATOM 674 CE2 PHE A 43 6.336 49.611 39.977 1.00 0.00 C ATOM 675 CZ PHE A 43 6.718 49.483 38.678 1.00 0.00 C ATOM 0 HA PHE A 43 1.934 48.393 37.882 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.546 48.697 40.867 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.763 47.173 40.029 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.867 48.153 37.438 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.734 49.309 41.410 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.157 48.867 36.731 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.022 50.020 40.704 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.707 49.790 38.373 1.00 0.00 H new ATOM 685 N GLN A 44 -0.529 48.576 39.903 1.00 0.00 N ATOM 686 CA GLN A 44 -1.790 47.975 40.301 1.00 0.00 C ATOM 687 C GLN A 44 -2.623 47.622 39.067 1.00 0.00 C ATOM 688 O GLN A 44 -3.063 46.483 38.915 1.00 0.00 O ATOM 689 CB GLN A 44 -2.566 48.900 41.240 1.00 0.00 C ATOM 690 CG GLN A 44 -2.924 50.214 40.543 1.00 0.00 C ATOM 691 CD GLN A 44 -3.342 51.278 41.560 1.00 0.00 C ATOM 692 OE1 GLN A 44 -4.500 51.644 41.674 1.00 0.00 O ATOM 693 NE2 GLN A 44 -2.337 51.753 42.290 1.00 0.00 N ATOM 0 H GLN A 44 -0.427 49.559 40.156 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.576 47.055 40.846 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.476 48.403 41.576 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.969 49.106 42.128 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.068 50.570 39.969 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.735 50.045 39.834 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.390 51.403 42.144 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.513 52.467 42.996 1.00 0.00 H new ATOM 702 N GLN A 45 -2.814 48.619 38.216 1.00 0.00 N ATOM 703 CA GLN A 45 -3.586 48.428 37.001 1.00 0.00 C ATOM 704 C GLN A 45 -2.814 47.551 36.014 1.00 0.00 C ATOM 705 O GLN A 45 -3.352 47.149 34.983 1.00 0.00 O ATOM 706 CB GLN A 45 -3.954 49.772 36.368 1.00 0.00 C ATOM 707 CG GLN A 45 -5.349 50.222 36.808 1.00 0.00 C ATOM 708 CD GLN A 45 -5.512 51.735 36.651 1.00 0.00 C ATOM 709 OE1 GLN A 45 -5.221 52.312 35.616 1.00 0.00 O ATOM 710 NE2 GLN A 45 -5.993 52.342 37.732 1.00 0.00 N ATOM 0 H GLN A 45 -2.447 49.562 38.344 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.514 47.919 37.260 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.219 50.525 36.652 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.921 49.688 35.282 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.105 49.708 36.215 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.515 49.941 37.848 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.216 51.798 38.566 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.139 53.351 37.728 1.00 0.00 H new ATOM 719 N LEU A 46 -1.566 47.280 36.364 1.00 0.00 N ATOM 720 CA LEU A 46 -0.714 46.456 35.522 1.00 0.00 C ATOM 721 C LEU A 46 -0.797 45.002 35.986 1.00 0.00 C ATOM 722 O LEU A 46 -0.843 44.086 35.167 1.00 0.00 O ATOM 723 CB LEU A 46 0.711 47.013 35.495 1.00 0.00 C ATOM 724 CG LEU A 46 1.606 46.510 34.360 1.00 0.00 C ATOM 725 CD1 LEU A 46 3.070 46.871 34.616 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.417 45.009 34.136 1.00 0.00 C ATOM 0 H LEU A 46 -1.123 47.616 37.219 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.061 46.480 34.489 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.654 48.100 35.432 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.192 46.774 36.444 1.00 0.00 H new ATOM 0 HG LEU A 46 1.306 47.013 33.440 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.685 46.502 33.795 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.171 47.954 34.687 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.399 46.414 35.549 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.065 44.678 33.324 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.674 44.470 35.048 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.378 44.808 33.876 1.00 0.00 H new ATOM 738 N ARG A 47 -0.814 44.834 37.301 1.00 0.00 N ATOM 739 CA ARG A 47 -0.891 43.505 37.884 1.00 0.00 C ATOM 740 C ARG A 47 -2.162 42.793 37.416 1.00 0.00 C ATOM 741 O ARG A 47 -2.212 41.564 37.385 1.00 0.00 O ATOM 742 CB ARG A 47 -0.888 43.574 39.413 1.00 0.00 C ATOM 743 CG ARG A 47 -0.626 42.196 40.023 1.00 0.00 C ATOM 744 CD ARG A 47 -1.687 41.849 41.070 1.00 0.00 C ATOM 745 NE ARG A 47 -1.512 42.699 42.269 1.00 0.00 N ATOM 746 CZ ARG A 47 -0.503 42.561 43.155 1.00 0.00 C ATOM 747 NH1 ARG A 47 0.431 41.601 42.984 1.00 0.00 N ATOM 748 NH2 ARG A 47 -0.445 43.376 44.191 1.00 0.00 N ATOM 0 H ARG A 47 -0.776 45.596 37.978 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.015 42.947 37.554 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.123 44.275 39.748 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.846 43.955 39.765 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.625 41.441 39.237 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.362 42.180 40.482 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.683 41.995 40.653 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.608 40.797 41.345 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.197 43.436 42.436 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.377 40.974 42.181 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.191 41.503 43.658 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.156 44.097 44.313 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.311 43.285 44.870 1.00 0.00 H new ATOM 761 N ARG A 48 -3.155 43.594 37.061 1.00 0.00 N ATOM 762 CA ARG A 48 -4.422 43.055 36.596 1.00 0.00 C ATOM 763 C ARG A 48 -4.211 42.221 35.330 1.00 0.00 C ATOM 764 O ARG A 48 -4.809 41.158 35.175 1.00 0.00 O ATOM 765 CB ARG A 48 -5.421 44.175 36.299 1.00 0.00 C ATOM 766 CG ARG A 48 -6.559 44.179 37.323 1.00 0.00 C ATOM 767 CD ARG A 48 -7.672 43.214 36.909 1.00 0.00 C ATOM 768 NE ARG A 48 -7.951 42.262 38.007 1.00 0.00 N ATOM 769 CZ ARG A 48 -8.426 42.623 39.219 1.00 0.00 C ATOM 770 NH1 ARG A 48 -8.679 43.919 39.497 1.00 0.00 N ATOM 771 NH2 ARG A 48 -8.639 41.688 40.126 1.00 0.00 N ATOM 0 H ARG A 48 -3.108 44.613 37.086 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.825 42.424 37.388 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.909 45.137 36.314 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.829 44.047 35.296 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.173 43.896 38.302 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.963 45.187 37.419 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.575 43.772 36.662 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.378 42.670 36.011 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.774 41.272 37.838 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.512 44.634 38.789 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.038 44.183 40.415 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.445 40.711 39.906 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.997 41.943 41.046 1.00 0.00 H new ATOM 784 N PHE A 49 -3.357 42.735 34.456 1.00 0.00 N ATOM 785 CA PHE A 49 -3.059 42.052 33.210 1.00 0.00 C ATOM 786 C PHE A 49 -2.279 40.761 33.465 1.00 0.00 C ATOM 787 O PHE A 49 -2.661 39.696 32.983 1.00 0.00 O ATOM 788 CB PHE A 49 -2.196 43.000 32.375 1.00 0.00 C ATOM 789 CG PHE A 49 -1.298 42.292 31.359 1.00 0.00 C ATOM 790 CD1 PHE A 49 -1.850 41.663 30.286 1.00 0.00 C ATOM 791 CD2 PHE A 49 0.051 42.291 31.527 1.00 0.00 C ATOM 792 CE1 PHE A 49 -1.017 41.006 29.342 1.00 0.00 C ATOM 793 CE2 PHE A 49 0.883 41.633 30.583 1.00 0.00 C ATOM 794 CZ PHE A 49 0.332 41.004 29.511 1.00 0.00 C ATOM 0 H PHE A 49 -2.862 43.617 34.587 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.985 41.790 32.699 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.847 43.696 31.846 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.573 43.592 33.045 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.922 41.663 30.152 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.490 42.790 32.378 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.455 40.508 28.490 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.955 41.632 30.717 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.966 40.503 28.794 1.00 0.00 H new ATOM 804 N LEU A 50 -1.200 40.899 34.221 1.00 0.00 N ATOM 805 CA LEU A 50 -0.363 39.757 34.546 1.00 0.00 C ATOM 806 C LEU A 50 -1.187 38.733 35.329 1.00 0.00 C ATOM 807 O LEU A 50 -1.051 37.529 35.116 1.00 0.00 O ATOM 808 CB LEU A 50 0.905 40.211 35.272 1.00 0.00 C ATOM 809 CG LEU A 50 1.695 41.337 34.601 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.555 42.087 35.621 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.526 40.803 33.433 1.00 0.00 C ATOM 0 H LEU A 50 -0.886 41.785 34.618 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.022 39.264 33.636 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.629 40.535 36.275 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.563 39.350 35.385 1.00 0.00 H new ATOM 0 HG LEU A 50 0.985 42.054 34.189 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.106 42.882 35.118 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.914 42.520 36.389 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.258 41.394 36.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.077 41.623 32.974 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.228 40.054 33.799 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.865 40.351 32.693 1.00 0.00 H new ATOM 823 N LYS A 51 -2.023 39.248 36.218 1.00 0.00 N ATOM 824 CA LYS A 51 -2.868 38.393 37.034 1.00 0.00 C ATOM 825 C LYS A 51 -3.901 37.703 36.140 1.00 0.00 C ATOM 826 O LYS A 51 -4.364 36.608 36.453 1.00 0.00 O ATOM 827 CB LYS A 51 -3.484 39.191 38.184 1.00 0.00 C ATOM 828 CG LYS A 51 -4.200 38.265 39.171 1.00 0.00 C ATOM 829 CD LYS A 51 -5.622 38.753 39.448 1.00 0.00 C ATOM 830 CE LYS A 51 -6.307 37.879 40.502 1.00 0.00 C ATOM 831 NZ LYS A 51 -5.843 38.246 41.859 1.00 0.00 N ATOM 0 H LYS A 51 -2.133 40.247 36.391 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.277 37.607 37.503 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.705 39.749 38.703 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.189 39.922 37.788 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.231 37.253 38.768 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.639 38.219 40.105 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.595 39.788 39.790 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.202 38.738 38.525 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.388 37.999 40.436 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.090 36.828 40.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.317 37.644 42.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.814 38.109 41.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.072 39.243 42.046 1.00 0.00 H new ATOM 844 N LEU A 52 -4.233 38.373 35.047 1.00 0.00 N ATOM 845 CA LEU A 52 -5.202 37.839 34.106 1.00 0.00 C ATOM 846 C LEU A 52 -4.590 36.643 33.374 1.00 0.00 C ATOM 847 O LEU A 52 -5.138 35.543 33.409 1.00 0.00 O ATOM 848 CB LEU A 52 -5.706 38.940 33.172 1.00 0.00 C ATOM 849 CG LEU A 52 -6.558 38.478 31.988 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.379 39.636 31.418 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.694 37.807 30.919 1.00 0.00 C ATOM 0 H LEU A 52 -3.848 39.282 34.792 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.083 37.474 34.633 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.290 39.648 33.760 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.844 39.482 32.784 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.264 37.729 32.347 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.975 39.280 30.578 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.039 40.029 32.191 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.708 40.425 31.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.324 37.488 30.089 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.948 38.515 30.557 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.193 36.939 31.348 1.00 0.00 H new ATOM 863 N ALA A 53 -3.463 36.900 32.726 1.00 0.00 N ATOM 864 CA ALA A 53 -2.771 35.858 31.987 1.00 0.00 C ATOM 865 C ALA A 53 -2.482 34.681 32.921 1.00 0.00 C ATOM 866 O ALA A 53 -2.429 33.534 32.482 1.00 0.00 O ATOM 867 CB ALA A 53 -1.498 36.434 31.364 1.00 0.00 C ATOM 0 H ALA A 53 -3.012 37.815 32.698 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.394 35.487 31.173 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.979 35.652 30.809 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.760 37.247 30.687 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.847 36.814 32.152 1.00 0.00 H new ATOM 873 N LEU A 54 -2.300 35.008 34.193 1.00 0.00 N ATOM 874 CA LEU A 54 -2.017 33.992 35.192 1.00 0.00 C ATOM 875 C LEU A 54 -3.212 33.044 35.303 1.00 0.00 C ATOM 876 O LEU A 54 -3.112 31.981 35.914 1.00 0.00 O ATOM 877 CB LEU A 54 -1.623 34.643 36.520 1.00 0.00 C ATOM 878 CG LEU A 54 -0.285 34.198 37.115 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.801 34.145 36.040 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.116 35.090 38.291 1.00 0.00 C ATOM 0 H LEU A 54 -2.343 35.961 34.554 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.160 33.390 34.891 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.593 35.723 36.377 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.408 34.439 37.249 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.403 33.187 37.504 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.742 33.826 36.489 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.511 33.437 35.264 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.926 35.134 35.600 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.070 34.752 38.695 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.211 36.121 37.950 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.647 35.034 39.067 1.00 0.00 H new ATOM 892 N LYS A 55 -4.317 33.463 34.702 1.00 0.00 N ATOM 893 CA LYS A 55 -5.530 32.665 34.725 1.00 0.00 C ATOM 894 C LYS A 55 -5.391 31.504 33.737 1.00 0.00 C ATOM 895 O LYS A 55 -6.297 30.683 33.607 1.00 0.00 O ATOM 896 CB LYS A 55 -6.756 33.544 34.471 1.00 0.00 C ATOM 897 CG LYS A 55 -8.045 32.810 34.847 1.00 0.00 C ATOM 898 CD LYS A 55 -9.272 33.682 34.571 1.00 0.00 C ATOM 899 CE LYS A 55 -10.537 32.829 34.463 1.00 0.00 C ATOM 900 NZ LYS A 55 -10.978 32.384 35.804 1.00 0.00 N ATOM 0 H LYS A 55 -4.397 34.345 34.196 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.679 32.228 35.713 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.675 34.464 35.050 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.790 33.831 33.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.118 31.882 34.279 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.018 32.537 35.902 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.390 34.414 35.370 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.125 34.240 33.646 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.330 33.403 33.985 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.345 31.962 33.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.838 31.806 35.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.226 31.818 36.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.180 33.215 36.396 1.00 0.00 H new ATOM 913 N THR A 56 -4.248 31.473 33.068 1.00 0.00 N ATOM 914 CA THR A 56 -3.978 30.427 32.096 1.00 0.00 C ATOM 915 C THR A 56 -2.471 30.204 31.957 1.00 0.00 C ATOM 916 O THR A 56 -1.800 30.917 31.213 1.00 0.00 O ATOM 917 CB THR A 56 -4.659 30.815 30.782 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.471 29.678 29.944 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.923 31.941 30.052 1.00 0.00 C ATOM 0 H THR A 56 -3.498 32.155 33.180 1.00 0.00 H new ATOM 0 HA THR A 56 -4.387 29.470 32.421 1.00 0.00 H new ATOM 0 HB THR A 56 -5.686 31.122 30.982 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.015 29.775 29.134 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.447 32.178 29.126 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.890 32.826 30.687 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.906 31.622 29.822 1.00 0.00 H new ATOM 927 N PRO A 57 -1.970 29.184 32.705 1.00 0.00 N ATOM 928 CA PRO A 57 -0.554 28.859 32.673 1.00 0.00 C ATOM 929 C PRO A 57 -0.188 28.133 31.376 1.00 0.00 C ATOM 930 O PRO A 57 0.146 26.950 31.396 1.00 0.00 O ATOM 931 CB PRO A 57 -0.316 28.013 33.913 1.00 0.00 C ATOM 932 CG PRO A 57 -1.685 27.511 34.344 1.00 0.00 C ATOM 933 CD PRO A 57 -2.734 28.319 33.599 1.00 0.00 C ATOM 0 HA PRO A 57 0.081 29.745 32.683 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.354 27.181 33.696 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.151 28.601 34.703 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.790 26.450 34.119 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.811 27.623 35.421 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.410 27.671 33.041 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.346 28.902 34.287 1.00 0.00 H new ATOM 941 N ILE A 58 -0.263 28.873 30.280 1.00 0.00 N ATOM 942 CA ILE A 58 0.056 28.316 28.977 1.00 0.00 C ATOM 943 C ILE A 58 1.230 29.088 28.370 1.00 0.00 C ATOM 944 O ILE A 58 1.923 28.579 27.490 1.00 0.00 O ATOM 945 CB ILE A 58 -1.187 28.288 28.087 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.839 28.664 26.645 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.293 29.177 28.660 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.071 27.611 26.008 1.00 0.00 C ATOM 0 H ILE A 58 -0.540 29.855 30.268 1.00 0.00 H new ATOM 0 HA ILE A 58 0.373 27.278 29.074 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.570 27.268 28.070 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.754 28.761 26.060 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.345 29.635 26.628 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.165 29.139 28.008 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.567 28.822 29.653 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.935 30.204 28.728 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.303 27.902 24.984 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.995 27.534 26.581 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.436 26.646 26.005 1.00 0.00 H new ATOM 960 N TRP A 59 1.416 30.302 28.865 1.00 0.00 N ATOM 961 CA TRP A 59 2.494 31.150 28.381 1.00 0.00 C ATOM 962 C TRP A 59 3.685 30.983 29.326 1.00 0.00 C ATOM 963 O TRP A 59 4.826 31.243 28.944 1.00 0.00 O ATOM 964 CB TRP A 59 2.032 32.602 28.252 1.00 0.00 C ATOM 965 CG TRP A 59 1.195 33.098 29.433 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.102 32.871 29.677 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.654 33.918 30.527 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.512 33.483 30.844 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.591 34.140 31.378 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.928 34.455 30.791 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.691 34.902 32.548 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.010 35.215 31.964 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.948 35.448 32.831 1.00 0.00 C ATOM 0 H TRP A 59 0.840 30.719 29.596 1.00 0.00 H new ATOM 0 HA TRP A 59 2.800 30.852 27.378 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.907 33.243 28.146 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.448 32.707 27.337 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.746 32.283 29.040 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.451 33.458 31.242 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.775 34.294 30.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.157 35.060 33.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.966 35.651 32.213 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.093 36.047 33.718 1.00 0.00 H new ATOM 984 N LEU A 60 3.381 30.550 30.541 1.00 0.00 N ATOM 985 CA LEU A 60 4.412 30.346 31.543 1.00 0.00 C ATOM 986 C LEU A 60 5.302 29.174 31.121 1.00 0.00 C ATOM 987 O LEU A 60 6.519 29.319 31.020 1.00 0.00 O ATOM 988 CB LEU A 60 3.788 30.176 32.929 1.00 0.00 C ATOM 989 CG LEU A 60 4.130 31.258 33.956 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.238 32.631 33.291 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.124 31.256 35.110 1.00 0.00 C ATOM 0 H LEU A 60 2.434 30.335 30.854 1.00 0.00 H new ATOM 0 HA LEU A 60 5.053 31.225 31.614 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.704 30.140 32.816 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.099 29.211 33.330 1.00 0.00 H new ATOM 0 HG LEU A 60 5.107 31.029 34.381 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.482 33.381 34.043 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.022 32.608 32.534 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.287 32.884 32.821 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.390 32.034 35.826 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.124 31.447 34.721 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.141 30.286 35.606 1.00 0.00 H new ATOM 1003 N ASN A 61 4.659 28.040 30.888 1.00 0.00 N ATOM 1004 CA ASN A 61 5.376 26.844 30.479 1.00 0.00 C ATOM 1005 C ASN A 61 6.367 27.202 29.369 1.00 0.00 C ATOM 1006 O ASN A 61 7.573 27.018 29.525 1.00 0.00 O ATOM 1007 CB ASN A 61 4.416 25.786 29.932 1.00 0.00 C ATOM 1008 CG ASN A 61 4.432 24.529 30.805 1.00 0.00 C ATOM 1009 OD1 ASN A 61 5.122 24.446 31.807 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.632 23.559 30.369 1.00 0.00 N ATOM 0 H ASN A 61 3.649 27.924 30.975 1.00 0.00 H new ATOM 0 HA ASN A 61 5.892 26.446 31.353 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.405 26.193 29.892 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.697 25.528 28.911 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.570 22.680 30.882 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.081 23.695 29.521 1.00 0.00 H new ATOM 1017 N PRO A 62 5.806 27.721 28.244 1.00 0.00 N ATOM 1018 CA PRO A 62 6.626 28.107 27.108 1.00 0.00 C ATOM 1019 C PRO A 62 7.366 29.417 27.386 1.00 0.00 C ATOM 1020 O PRO A 62 8.261 29.800 26.635 1.00 0.00 O ATOM 1021 CB PRO A 62 5.659 28.207 25.940 1.00 0.00 C ATOM 1022 CG PRO A 62 4.275 28.329 26.555 1.00 0.00 C ATOM 1023 CD PRO A 62 4.381 27.953 28.023 1.00 0.00 C ATOM 0 HA PRO A 62 7.414 27.385 26.894 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.887 29.072 25.317 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.726 27.327 25.301 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.898 29.346 26.448 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.571 27.673 26.043 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.005 28.750 28.664 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.795 27.061 28.247 1.00 0.00 H new ATOM 1031 N ILE A 63 6.963 30.070 28.466 1.00 0.00 N ATOM 1032 CA ILE A 63 7.575 31.329 28.853 1.00 0.00 C ATOM 1033 C ILE A 63 7.909 32.135 27.596 1.00 0.00 C ATOM 1034 O ILE A 63 9.013 32.031 27.061 1.00 0.00 O ATOM 1035 CB ILE A 63 8.780 31.081 29.763 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.338 32.400 30.305 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.851 30.260 29.043 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.209 33.327 30.758 1.00 0.00 C ATOM 0 H ILE A 63 6.219 29.750 29.086 1.00 0.00 H new ATOM 0 HA ILE A 63 6.879 31.927 29.441 1.00 0.00 H new ATOM 0 HB ILE A 63 8.446 30.495 30.619 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.007 32.200 31.142 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.931 32.892 29.534 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.696 30.098 29.712 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.434 29.298 28.746 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.188 30.798 28.157 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.632 34.257 31.139 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.556 33.545 29.913 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.633 32.841 31.546 1.00 0.00 H new ATOM 1050 N ASP A 64 6.936 32.923 27.161 1.00 0.00 N ATOM 1051 CA ASP A 64 7.113 33.746 25.977 1.00 0.00 C ATOM 1052 C ASP A 64 6.117 34.907 26.015 1.00 0.00 C ATOM 1053 O ASP A 64 4.906 34.690 25.999 1.00 0.00 O ATOM 1054 CB ASP A 64 6.853 32.941 24.702 1.00 0.00 C ATOM 1055 CG ASP A 64 7.281 33.628 23.404 1.00 0.00 C ATOM 1056 OD1 ASP A 64 7.736 34.783 23.413 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.131 32.921 22.336 1.00 0.00 O ATOM 0 H ASP A 64 6.023 33.009 27.607 1.00 0.00 H new ATOM 0 HA ASP A 64 8.140 34.110 25.970 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.375 31.987 24.780 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.788 32.717 24.643 1.00 0.00 H new ATOM 1063 N TYR A 65 6.663 36.112 26.064 1.00 0.00 N ATOM 1064 CA TYR A 65 5.837 37.307 26.104 1.00 0.00 C ATOM 1065 C TYR A 65 5.031 37.459 24.813 1.00 0.00 C ATOM 1066 O TYR A 65 4.154 38.318 24.722 1.00 0.00 O ATOM 1067 CB TYR A 65 6.806 38.485 26.229 1.00 0.00 C ATOM 1068 CG TYR A 65 6.463 39.670 25.324 1.00 0.00 C ATOM 1069 CD1 TYR A 65 6.482 39.518 23.952 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.137 40.891 25.879 1.00 0.00 C ATOM 1071 CE1 TYR A 65 6.161 40.634 23.100 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.815 42.006 25.027 1.00 0.00 C ATOM 1073 CZ TYR A 65 5.843 41.822 23.680 1.00 0.00 C ATOM 1074 OH TYR A 65 5.539 42.876 22.875 1.00 0.00 O ATOM 0 H TYR A 65 7.668 36.287 26.077 1.00 0.00 H new ATOM 0 HA TYR A 65 5.130 37.258 26.932 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.819 38.824 27.265 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.813 38.141 25.994 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.737 38.563 23.518 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.123 41.010 26.952 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.173 40.530 22.025 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.557 42.967 25.448 1.00 0.00 H new ATOM 0 HH TYR A 65 5.378 43.671 23.424 1.00 0.00 H new ATOM 1084 N SER A 66 5.356 36.614 23.846 1.00 0.00 N ATOM 1085 CA SER A 66 4.673 36.645 22.565 1.00 0.00 C ATOM 1086 C SER A 66 3.217 36.204 22.736 1.00 0.00 C ATOM 1087 O SER A 66 2.363 36.540 21.917 1.00 0.00 O ATOM 1088 CB SER A 66 5.380 35.751 21.542 1.00 0.00 C ATOM 1089 OG SER A 66 5.140 36.179 20.204 1.00 0.00 O ATOM 0 H SER A 66 6.084 35.904 23.924 1.00 0.00 H new ATOM 0 HA SER A 66 4.695 37.669 22.191 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.452 35.755 21.737 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.038 34.723 21.661 1.00 0.00 H new ATOM 0 HG SER A 66 5.609 35.585 19.581 1.00 0.00 H new ATOM 1095 N LEU A 67 2.980 35.460 23.806 1.00 0.00 N ATOM 1096 CA LEU A 67 1.643 34.971 24.096 1.00 0.00 C ATOM 1097 C LEU A 67 0.922 35.975 24.998 1.00 0.00 C ATOM 1098 O LEU A 67 -0.300 35.924 25.137 1.00 0.00 O ATOM 1099 CB LEU A 67 1.704 33.556 24.676 1.00 0.00 C ATOM 1100 CG LEU A 67 0.357 32.884 24.949 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.530 31.382 25.181 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.368 33.565 26.112 1.00 0.00 C ATOM 0 H LEU A 67 3.691 35.184 24.483 1.00 0.00 H new ATOM 0 HA LEU A 67 1.060 34.890 23.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.269 32.927 23.988 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.266 33.591 25.609 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.270 33.002 24.065 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.443 30.929 25.373 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.975 30.926 24.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.182 31.219 26.039 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.323 33.069 26.286 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.245 33.499 27.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.543 34.613 25.868 1.00 0.00 H new ATOM 1114 N LEU A 68 1.708 36.862 25.589 1.00 0.00 N ATOM 1115 CA LEU A 68 1.160 37.876 26.474 1.00 0.00 C ATOM 1116 C LEU A 68 0.264 38.819 25.668 1.00 0.00 C ATOM 1117 O LEU A 68 -0.933 38.919 25.932 1.00 0.00 O ATOM 1118 CB LEU A 68 2.281 38.589 27.231 1.00 0.00 C ATOM 1119 CG LEU A 68 2.494 38.154 28.683 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.465 39.092 29.400 1.00 0.00 C ATOM 1121 CD2 LEU A 68 1.158 38.036 29.421 1.00 0.00 C ATOM 0 H LEU A 68 2.721 36.900 25.473 1.00 0.00 H new ATOM 0 HA LEU A 68 0.534 37.417 27.239 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.213 38.437 26.687 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.076 39.659 27.220 1.00 0.00 H new ATOM 0 HG LEU A 68 2.949 37.163 28.680 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.598 38.760 30.430 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.427 39.081 28.888 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.063 40.105 29.395 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.337 37.726 30.450 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.653 39.002 29.416 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.531 37.296 28.923 1.00 0.00 H new ATOM 1133 N ALA A 69 0.879 39.487 24.704 1.00 0.00 N ATOM 1134 CA ALA A 69 0.153 40.420 23.858 1.00 0.00 C ATOM 1135 C ALA A 69 -1.068 39.716 23.263 1.00 0.00 C ATOM 1136 O ALA A 69 -2.069 40.359 22.951 1.00 0.00 O ATOM 1137 CB ALA A 69 1.091 40.971 22.783 1.00 0.00 C ATOM 0 H ALA A 69 1.872 39.401 24.489 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.207 41.268 24.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.546 41.671 22.149 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.926 41.486 23.258 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.470 40.150 22.175 1.00 0.00 H new ATOM 1143 N SER A 70 -0.945 38.404 23.122 1.00 0.00 N ATOM 1144 CA SER A 70 -2.026 37.606 22.569 1.00 0.00 C ATOM 1145 C SER A 70 -3.243 37.661 23.494 1.00 0.00 C ATOM 1146 O SER A 70 -4.381 37.675 23.028 1.00 0.00 O ATOM 1147 CB SER A 70 -1.586 36.157 22.354 1.00 0.00 C ATOM 1148 OG SER A 70 -2.636 35.234 22.633 1.00 0.00 O ATOM 0 H SER A 70 -0.113 37.874 23.381 1.00 0.00 H new ATOM 0 HA SER A 70 -2.297 38.022 21.599 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.254 36.028 21.324 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.731 35.939 22.994 1.00 0.00 H new ATOM 0 HG SER A 70 -2.317 34.320 22.483 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.961 37.690 24.789 1.00 0.00 N ATOM 1155 CA LEU A 71 -4.019 37.743 25.784 1.00 0.00 C ATOM 1156 C LEU A 71 -4.661 39.131 25.767 1.00 0.00 C ATOM 1157 O LEU A 71 -5.628 39.381 26.485 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.483 37.330 27.156 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.917 35.950 27.657 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.761 34.951 27.581 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.505 36.039 29.068 1.00 0.00 C ATOM 0 H LEU A 71 -2.016 37.678 25.172 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.804 37.026 25.544 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.394 37.356 27.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.797 38.075 27.887 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.706 35.581 27.001 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.096 33.979 27.943 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.427 34.858 26.547 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.935 35.303 28.199 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.805 35.045 29.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.755 36.438 29.750 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.374 36.697 29.059 1.00 0.00 H new ATOM 1173 N ILE A 72 -4.098 39.998 24.937 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.603 41.355 24.817 1.00 0.00 C ATOM 1175 C ILE A 72 -4.831 41.680 23.339 1.00 0.00 C ATOM 1176 O ILE A 72 -4.174 42.558 22.784 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.671 42.339 25.526 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.604 41.598 26.335 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.466 43.321 26.389 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.470 42.541 26.741 1.00 0.00 C ATOM 0 H ILE A 72 -3.297 39.787 24.342 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.567 41.448 25.318 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.151 42.924 24.768 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.056 41.162 27.226 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.203 40.774 25.745 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.780 44.010 26.882 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.155 43.884 25.759 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.030 42.770 27.141 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.726 41.989 27.315 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.005 42.956 25.847 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.871 43.351 27.351 1.00 0.00 H new ATOM 1192 N PRO A 73 -5.791 40.935 22.728 1.00 0.00 N ATOM 1193 CA PRO A 73 -6.115 41.135 21.325 1.00 0.00 C ATOM 1194 C PRO A 73 -6.933 42.412 21.128 1.00 0.00 C ATOM 1195 O PRO A 73 -8.047 42.367 20.609 1.00 0.00 O ATOM 1196 CB PRO A 73 -6.866 39.879 20.912 1.00 0.00 C ATOM 1197 CG PRO A 73 -7.339 39.232 22.204 1.00 0.00 C ATOM 1198 CD PRO A 73 -6.591 39.885 23.354 1.00 0.00 C ATOM 0 HA PRO A 73 -5.230 41.276 20.705 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.709 40.123 20.266 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.219 39.204 20.351 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.414 39.363 22.325 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.149 38.159 22.185 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.280 40.298 24.091 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.961 39.165 23.876 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.348 43.523 21.554 1.00 0.00 N ATOM 1207 CA LYS A 74 -7.008 44.811 21.430 1.00 0.00 C ATOM 1208 C LYS A 74 -8.105 44.922 22.492 1.00 0.00 C ATOM 1209 O LYS A 74 -9.239 45.283 22.184 1.00 0.00 O ATOM 1210 CB LYS A 74 -7.514 45.019 20.001 1.00 0.00 C ATOM 1211 CG LYS A 74 -6.437 44.653 18.979 1.00 0.00 C ATOM 1212 CD LYS A 74 -7.038 44.490 17.582 1.00 0.00 C ATOM 1213 CE LYS A 74 -7.377 43.025 17.300 1.00 0.00 C ATOM 1214 NZ LYS A 74 -7.381 42.764 15.842 1.00 0.00 N ATOM 0 H LYS A 74 -5.424 43.557 21.985 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.301 45.620 21.615 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.402 44.409 19.833 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.811 46.059 19.865 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.670 45.428 18.961 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.947 43.726 19.278 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.938 45.099 17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.334 44.855 16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.650 42.377 17.789 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.353 42.784 17.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.613 41.765 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.092 43.369 15.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.441 42.974 15.449 1.00 0.00 H new ATOM 1227 N GLY A 75 -7.727 44.601 23.721 1.00 0.00 N ATOM 1228 CA GLY A 75 -8.663 44.660 24.832 1.00 0.00 C ATOM 1229 C GLY A 75 -8.245 45.727 25.845 1.00 0.00 C ATOM 1230 O GLY A 75 -8.331 46.922 25.566 1.00 0.00 O ATOM 0 H GLY A 75 -6.786 44.299 23.972 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.663 44.880 24.458 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.713 43.688 25.322 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.802 45.257 27.001 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.370 46.155 28.059 1.00 0.00 C ATOM 1236 C TYR A 76 -6.793 47.448 27.478 1.00 0.00 C ATOM 1237 O TYR A 76 -6.135 47.427 26.439 1.00 0.00 O ATOM 1238 CB TYR A 76 -6.268 45.415 28.818 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.743 44.747 30.110 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.426 43.549 30.057 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.488 45.342 31.328 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -7.873 42.920 31.272 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.935 44.713 32.544 1.00 0.00 C ATOM 1244 CZ TYR A 76 -7.605 43.533 32.456 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.028 42.939 33.605 1.00 0.00 O ATOM 0 H TYR A 76 -7.733 44.265 27.229 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.209 46.424 28.700 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.838 44.655 28.165 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.470 46.118 29.057 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.625 43.083 29.103 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.953 46.279 31.370 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.409 41.983 31.244 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.742 45.168 33.504 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.045 41.967 33.483 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.068 48.572 28.193 1.00 0.00 N ATOM 1256 CA PRO A 77 -6.584 49.871 27.759 1.00 0.00 C ATOM 1257 C PRO A 77 -5.087 50.019 28.038 1.00 0.00 C ATOM 1258 O PRO A 77 -4.451 49.096 28.543 1.00 0.00 O ATOM 1259 CB PRO A 77 -7.431 50.880 28.519 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.037 50.121 29.688 1.00 0.00 C ATOM 1261 CD PRO A 77 -7.844 48.636 29.428 1.00 0.00 C ATOM 0 HA PRO A 77 -6.681 50.018 26.683 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.824 51.715 28.868 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.209 51.297 27.879 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.556 50.411 30.622 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.096 50.357 29.788 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.317 48.155 30.252 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.801 48.125 29.321 1.00 0.00 H new ATOM 1269 N GLY A 78 -4.567 51.189 27.695 1.00 0.00 N ATOM 1270 CA GLY A 78 -3.156 51.470 27.902 1.00 0.00 C ATOM 1271 C GLY A 78 -2.716 51.060 29.309 1.00 0.00 C ATOM 1272 O GLY A 78 -3.537 50.641 30.123 1.00 0.00 O ATOM 0 H GLY A 78 -5.097 51.953 27.275 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.562 50.935 27.161 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.968 52.533 27.754 1.00 0.00 H new ATOM 1276 N ARG A 79 -1.420 51.196 29.552 1.00 0.00 N ATOM 1277 CA ARG A 79 -0.861 50.845 30.846 1.00 0.00 C ATOM 1278 C ARG A 79 -0.427 49.378 30.857 1.00 0.00 C ATOM 1279 O ARG A 79 0.226 48.927 31.798 1.00 0.00 O ATOM 1280 CB ARG A 79 -1.877 51.078 31.967 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.173 51.412 33.283 1.00 0.00 C ATOM 1282 CD ARG A 79 -1.890 52.549 34.014 1.00 0.00 C ATOM 1283 NE ARG A 79 -2.137 53.673 33.084 1.00 0.00 N ATOM 1284 CZ ARG A 79 -1.168 54.466 32.580 1.00 0.00 C ATOM 1285 NH1 ARG A 79 0.125 54.264 32.914 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -1.502 55.441 31.756 1.00 0.00 N ATOM 0 H ARG A 79 -0.742 51.544 28.875 1.00 0.00 H new ATOM 0 HA ARG A 79 0.005 51.485 31.017 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.547 51.892 31.692 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.493 50.188 32.095 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.144 50.527 33.919 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.140 51.697 33.085 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.835 52.191 34.423 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.287 52.889 34.856 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.100 53.860 32.806 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.375 53.508 33.551 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.851 54.868 32.529 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.481 55.587 31.508 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.781 56.049 31.367 1.00 0.00 H new ATOM 1299 N VAL A 80 -0.806 48.675 29.801 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.465 47.267 29.677 1.00 0.00 C ATOM 1301 C VAL A 80 0.095 47.004 28.278 1.00 0.00 C ATOM 1302 O VAL A 80 1.309 46.973 28.087 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.683 46.402 30.006 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.493 44.972 29.498 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -1.976 46.416 31.507 1.00 0.00 C ATOM 0 H VAL A 80 -1.346 49.053 29.023 1.00 0.00 H new ATOM 0 HA VAL A 80 0.311 46.997 30.394 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.545 46.828 29.493 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.373 44.378 29.745 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.356 44.985 28.417 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.614 44.532 29.970 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.846 45.793 31.714 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.114 46.027 32.050 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.176 47.438 31.829 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.818 46.821 27.334 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.431 46.562 25.958 1.00 0.00 C ATOM 1317 C VAL A 81 0.472 47.694 25.465 1.00 0.00 C ATOM 1318 O VAL A 81 1.456 47.449 24.769 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.677 46.370 25.092 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.312 45.771 23.731 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.717 45.507 25.809 1.00 0.00 C ATOM 0 H VAL A 81 -1.825 46.847 27.496 1.00 0.00 H new ATOM 0 HA VAL A 81 0.142 45.637 25.889 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.118 47.352 24.919 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.216 45.645 23.135 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.625 46.439 23.212 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.835 44.802 23.876 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.592 45.387 25.171 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.290 44.528 26.027 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.011 45.990 26.741 1.00 0.00 H new ATOM 1331 N GLU A 82 0.105 48.909 25.845 1.00 0.00 N ATOM 1332 CA GLU A 82 0.870 50.080 25.450 1.00 0.00 C ATOM 1333 C GLU A 82 2.337 49.916 25.853 1.00 0.00 C ATOM 1334 O GLU A 82 3.213 50.578 25.300 1.00 0.00 O ATOM 1335 CB GLU A 82 0.274 51.353 26.053 1.00 0.00 C ATOM 1336 CG GLU A 82 1.052 51.786 27.298 1.00 0.00 C ATOM 1337 CD GLU A 82 0.537 53.126 27.828 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -0.642 53.458 27.633 1.00 0.00 O ATOM 1339 OE2 GLU A 82 1.410 53.832 28.463 1.00 0.00 O ATOM 0 H GLU A 82 -0.712 49.108 26.422 1.00 0.00 H new ATOM 0 HA GLU A 82 0.820 50.174 24.365 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.291 52.153 25.313 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.770 51.182 26.314 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.959 51.025 28.072 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.112 51.869 27.058 1.00 0.00 H new ATOM 1347 N ILE A 83 2.558 49.031 26.813 1.00 0.00 N ATOM 1348 CA ILE A 83 3.904 48.771 27.296 1.00 0.00 C ATOM 1349 C ILE A 83 4.449 47.511 26.622 1.00 0.00 C ATOM 1350 O ILE A 83 5.662 47.349 26.489 1.00 0.00 O ATOM 1351 CB ILE A 83 3.921 48.709 28.825 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.356 49.994 29.432 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.327 48.398 29.344 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.424 49.682 30.604 1.00 0.00 C ATOM 0 H ILE A 83 1.828 48.485 27.270 1.00 0.00 H new ATOM 0 HA ILE A 83 4.571 49.590 27.026 1.00 0.00 H new ATOM 0 HB ILE A 83 3.273 47.892 29.142 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.173 50.630 29.772 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.813 50.553 28.670 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.312 48.359 30.433 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.655 47.436 28.951 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.016 49.177 29.018 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.036 50.613 31.018 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.595 49.066 30.256 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.976 49.145 31.375 1.00 0.00 H new ATOM 1366 N ILE A 84 3.528 46.651 26.215 1.00 0.00 N ATOM 1367 CA ILE A 84 3.901 45.409 25.558 1.00 0.00 C ATOM 1368 C ILE A 84 4.266 45.698 24.100 1.00 0.00 C ATOM 1369 O ILE A 84 5.322 45.283 23.627 1.00 0.00 O ATOM 1370 CB ILE A 84 2.796 44.364 25.720 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.366 44.242 27.184 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.224 43.017 25.134 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.947 42.808 27.514 1.00 0.00 C ATOM 0 H ILE A 84 2.524 46.789 26.327 1.00 0.00 H new ATOM 0 HA ILE A 84 4.785 44.979 26.029 1.00 0.00 H new ATOM 0 HB ILE A 84 1.925 44.698 25.156 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.187 44.544 27.834 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.537 44.922 27.381 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.420 42.292 25.263 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.440 43.134 24.072 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.117 42.663 25.649 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.646 42.748 28.560 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.110 42.518 26.879 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.786 42.134 27.339 1.00 0.00 H new ATOM 1385 N ASN A 85 3.370 46.407 23.430 1.00 0.00 N ATOM 1386 CA ASN A 85 3.584 46.756 22.035 1.00 0.00 C ATOM 1387 C ASN A 85 4.937 47.457 21.891 1.00 0.00 C ATOM 1388 O ASN A 85 5.499 47.511 20.799 1.00 0.00 O ATOM 1389 CB ASN A 85 2.501 47.713 21.534 1.00 0.00 C ATOM 1390 CG ASN A 85 1.365 46.946 20.853 1.00 0.00 C ATOM 1391 OD1 ASN A 85 0.196 47.116 21.157 1.00 0.00 O ATOM 1392 ND2 ASN A 85 1.772 46.094 19.917 1.00 0.00 N ATOM 0 H ASN A 85 2.495 46.749 23.826 1.00 0.00 H new ATOM 0 HA ASN A 85 3.553 45.837 21.449 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.105 48.290 22.370 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.936 48.425 20.833 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.090 45.535 19.405 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.767 46.000 19.711 1.00 0.00 H new ATOM 1399 N ILE A 86 5.420 47.977 23.010 1.00 0.00 N ATOM 1400 CA ILE A 86 6.694 48.673 23.023 1.00 0.00 C ATOM 1401 C ILE A 86 7.830 47.647 23.057 1.00 0.00 C ATOM 1402 O ILE A 86 8.890 47.870 22.474 1.00 0.00 O ATOM 1403 CB ILE A 86 6.743 49.683 24.171 1.00 0.00 C ATOM 1404 CG1 ILE A 86 5.866 50.899 23.869 1.00 0.00 C ATOM 1405 CG2 ILE A 86 8.186 50.082 24.489 1.00 0.00 C ATOM 1406 CD1 ILE A 86 5.619 51.726 25.133 1.00 0.00 C ATOM 0 H ILE A 86 4.951 47.930 23.914 1.00 0.00 H new ATOM 0 HA ILE A 86 6.818 49.257 22.111 1.00 0.00 H new ATOM 0 HB ILE A 86 6.336 49.206 25.063 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.347 51.519 23.113 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.913 50.570 23.453 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.193 50.801 25.309 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.753 49.197 24.778 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.642 50.533 23.607 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.993 52.584 24.890 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.116 51.110 25.878 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.572 52.074 25.532 1.00 0.00 H new ATOM 1418 N LEU A 87 7.568 46.547 23.747 1.00 0.00 N ATOM 1419 CA LEU A 87 8.555 45.486 23.865 1.00 0.00 C ATOM 1420 C LEU A 87 8.916 44.974 22.470 1.00 0.00 C ATOM 1421 O LEU A 87 10.087 44.737 22.176 1.00 0.00 O ATOM 1422 CB LEU A 87 8.055 44.393 24.813 1.00 0.00 C ATOM 1423 CG LEU A 87 7.687 44.846 26.226 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.167 43.674 27.060 1.00 0.00 C ATOM 1425 CD2 LEU A 87 8.867 45.550 26.900 1.00 0.00 C ATOM 0 H LEU A 87 6.688 46.367 24.230 1.00 0.00 H new ATOM 0 HA LEU A 87 9.473 45.867 24.312 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.180 43.923 24.364 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.825 43.625 24.888 1.00 0.00 H new ATOM 0 HG LEU A 87 6.877 45.572 26.152 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.913 44.024 28.060 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.280 43.255 26.585 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.938 42.906 27.129 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.579 45.862 27.904 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.712 44.865 26.962 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.151 46.425 26.315 1.00 0.00 H new ATOM 1437 N VAL A 88 7.889 44.817 21.647 1.00 0.00 N ATOM 1438 CA VAL A 88 8.084 44.336 20.290 1.00 0.00 C ATOM 1439 C VAL A 88 8.865 45.380 19.492 1.00 0.00 C ATOM 1440 O VAL A 88 9.892 45.067 18.891 1.00 0.00 O ATOM 1441 CB VAL A 88 6.734 43.989 19.660 1.00 0.00 C ATOM 1442 CG1 VAL A 88 6.800 44.083 18.134 1.00 0.00 C ATOM 1443 CG2 VAL A 88 6.261 42.603 20.104 1.00 0.00 C ATOM 0 H VAL A 88 6.919 45.015 21.894 1.00 0.00 H new ATOM 0 HA VAL A 88 8.673 43.419 20.290 1.00 0.00 H new ATOM 0 HB VAL A 88 6.004 44.720 20.009 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.827 43.831 17.712 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.070 45.098 17.843 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.550 43.386 17.759 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.299 42.381 19.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.992 41.854 19.798 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.155 42.585 21.189 1.00 0.00 H new ATOM 1453 N LYS A 89 8.350 46.602 19.510 1.00 0.00 N ATOM 1454 CA LYS A 89 8.988 47.694 18.795 1.00 0.00 C ATOM 1455 C LYS A 89 10.435 47.834 19.270 1.00 0.00 C ATOM 1456 O LYS A 89 11.267 48.412 18.575 1.00 0.00 O ATOM 1457 CB LYS A 89 8.167 48.977 18.936 1.00 0.00 C ATOM 1458 CG LYS A 89 8.220 49.807 17.652 1.00 0.00 C ATOM 1459 CD LYS A 89 9.284 50.902 17.750 1.00 0.00 C ATOM 1460 CE LYS A 89 8.717 52.158 18.417 1.00 0.00 C ATOM 1461 NZ LYS A 89 9.730 53.237 18.436 1.00 0.00 N ATOM 0 H LYS A 89 7.498 46.859 20.009 1.00 0.00 H new ATOM 0 HA LYS A 89 9.023 47.481 17.727 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.132 48.727 19.169 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.548 49.567 19.770 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.438 49.158 16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.245 50.258 17.466 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.137 50.536 18.321 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.650 51.149 16.753 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.830 52.493 17.880 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.404 51.927 19.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.329 54.082 18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.565 52.920 18.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.008 53.469 17.461 1.00 0.00 H new ATOM 1474 N ASN A 90 10.690 47.293 20.453 1.00 0.00 N ATOM 1475 CA ASN A 90 12.023 47.351 21.030 1.00 0.00 C ATOM 1476 C ASN A 90 12.821 46.126 20.580 1.00 0.00 C ATOM 1477 O ASN A 90 14.052 46.144 20.591 1.00 0.00 O ATOM 1478 CB ASN A 90 11.962 47.340 22.558 1.00 0.00 C ATOM 1479 CG ASN A 90 13.348 47.569 23.164 1.00 0.00 C ATOM 1480 OD1 ASN A 90 14.111 48.416 22.731 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.630 46.767 24.187 1.00 0.00 N ATOM 0 H ASN A 90 9.997 46.813 21.027 1.00 0.00 H new ATOM 0 HA ASN A 90 12.497 48.274 20.695 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.278 48.115 22.904 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.564 46.386 22.903 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.531 46.840 24.659 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.945 46.079 24.499 1.00 0.00 H new