USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=11 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 85 ASN : amide:sc= -4.58! C(o=-6.7!,f=-4.6!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -132:sc= -2.1! (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HE2:sc= -2.51 K(o=-2.5,f=-5.3!) USER MOD Single : A 26 ASN : amide:sc= -6.38! C(o=-6.4!,f=-12!) USER MOD Single : A 29 GLN : amide:sc=-0.00517 X(o=-0.0052,f=-0.022) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 45 GLN : amide:sc= -0.195 K(o=-0.2,f=-2.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -0.0837 (180deg=-0.408) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.217 K(o=-0.22,f=-0.94) USER MOD Single : A 65 TYR OH : rot -179:sc= -2.28 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+ 150:sc= -0.148 (180deg=-0.725) USER MOD Single : A 76 TYR OH : rot -165:sc= -3.47! USER MOD Single : A 90 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.244 36.495 36.093 1.00 0.00 N ATOM 313 CA THR A 21 12.600 37.870 36.398 1.00 0.00 C ATOM 314 C THR A 21 12.860 38.652 35.109 1.00 0.00 C ATOM 315 O THR A 21 12.388 39.777 34.955 1.00 0.00 O ATOM 316 CB THR A 21 13.798 37.848 37.349 1.00 0.00 C ATOM 317 OG1 THR A 21 13.223 38.045 38.637 1.00 0.00 O ATOM 318 CG2 THR A 21 14.716 39.058 37.162 1.00 0.00 C ATOM 0 HA THR A 21 11.782 38.390 36.896 1.00 0.00 H new ATOM 0 HB THR A 21 14.368 36.932 37.193 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.931 38.043 39.315 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.550 38.993 37.861 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.098 39.071 36.141 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.155 39.973 37.351 1.00 0.00 H new ATOM 326 N HIS A 22 13.611 38.025 34.215 1.00 0.00 N ATOM 327 CA HIS A 22 13.940 38.647 32.945 1.00 0.00 C ATOM 328 C HIS A 22 12.655 38.934 32.166 1.00 0.00 C ATOM 329 O HIS A 22 12.525 39.987 31.543 1.00 0.00 O ATOM 330 CB HIS A 22 14.930 37.786 32.158 1.00 0.00 C ATOM 331 CG HIS A 22 16.379 38.105 32.438 1.00 0.00 C ATOM 332 ND1 HIS A 22 17.186 38.778 31.537 1.00 0.00 N ATOM 333 CD2 HIS A 22 17.157 37.838 33.526 1.00 0.00 C ATOM 334 CE1 HIS A 22 18.393 38.904 32.069 1.00 0.00 C ATOM 335 NE2 HIS A 22 18.373 38.320 33.301 1.00 0.00 N ATOM 0 H HIS A 22 14.001 37.092 34.346 1.00 0.00 H new ATOM 0 HA HIS A 22 14.438 39.600 33.122 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.748 36.737 32.391 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.740 37.914 31.092 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.838 37.322 34.419 1.00 0.00 H new ATOM 0 HE1 HIS A 22 19.243 39.385 31.608 1.00 0.00 H new ATOM 0 HE2 HIS A 22 19.163 38.263 33.944 1.00 0.00 H new ATOM 343 N HIS A 23 11.738 37.980 32.226 1.00 0.00 N ATOM 344 CA HIS A 23 10.468 38.117 31.535 1.00 0.00 C ATOM 345 C HIS A 23 9.716 39.333 32.079 1.00 0.00 C ATOM 346 O HIS A 23 9.179 40.131 31.311 1.00 0.00 O ATOM 347 CB HIS A 23 9.654 36.825 31.631 1.00 0.00 C ATOM 348 CG HIS A 23 8.191 36.996 31.303 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.223 37.194 32.271 1.00 0.00 N ATOM 350 CD2 HIS A 23 7.541 36.996 30.103 1.00 0.00 C ATOM 351 CE1 HIS A 23 6.047 37.306 31.671 1.00 0.00 C ATOM 352 NE2 HIS A 23 6.246 37.183 30.327 1.00 0.00 N ATOM 0 H HIS A 23 11.850 37.108 32.743 1.00 0.00 H new ATOM 0 HA HIS A 23 10.645 38.288 30.473 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.084 36.086 30.955 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.745 36.424 32.641 1.00 0.00 H new ATOM 0 HD1 HIS A 23 7.387 37.245 33.276 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.002 36.866 29.135 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.098 37.466 32.160 1.00 0.00 H new ATOM 360 N TRP A 24 9.702 39.437 33.400 1.00 0.00 N ATOM 361 CA TRP A 24 9.025 40.544 34.056 1.00 0.00 C ATOM 362 C TRP A 24 9.836 41.815 33.798 1.00 0.00 C ATOM 363 O TRP A 24 9.272 42.864 33.492 1.00 0.00 O ATOM 364 CB TRP A 24 8.822 40.255 35.546 1.00 0.00 C ATOM 365 CG TRP A 24 8.351 41.466 36.354 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.929 42.013 37.432 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.173 42.262 36.104 1.00 0.00 C ATOM 368 NE1 TRP A 24 8.213 43.099 37.894 1.00 0.00 N ATOM 369 CE2 TRP A 24 7.113 43.255 37.060 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.192 42.147 35.103 1.00 0.00 C ATOM 371 CZ2 TRP A 24 6.088 44.209 37.110 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.177 43.108 35.167 1.00 0.00 C ATOM 373 CH2 TRP A 24 5.101 44.114 36.123 1.00 0.00 C ATOM 0 H TRP A 24 10.148 38.774 34.034 1.00 0.00 H new ATOM 0 HA TRP A 24 8.024 40.682 33.647 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.093 39.452 35.654 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.760 39.892 35.967 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.841 41.650 37.883 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.448 43.680 38.699 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.220 41.378 34.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.061 44.976 37.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.397 43.065 34.421 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.283 44.819 36.104 1.00 0.00 H new ATOM 384 N LEU A 25 11.147 41.679 33.932 1.00 0.00 N ATOM 385 CA LEU A 25 12.041 42.804 33.717 1.00 0.00 C ATOM 386 C LEU A 25 11.748 43.430 32.353 1.00 0.00 C ATOM 387 O LEU A 25 11.914 44.635 32.170 1.00 0.00 O ATOM 388 CB LEU A 25 13.499 42.371 33.895 1.00 0.00 C ATOM 389 CG LEU A 25 14.493 43.485 34.228 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.904 44.457 35.253 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.830 42.906 34.691 1.00 0.00 C ATOM 0 H LEU A 25 11.611 40.807 34.187 1.00 0.00 H new ATOM 0 HA LEU A 25 11.868 43.577 34.466 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.541 41.624 34.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.826 41.881 32.978 1.00 0.00 H new ATOM 0 HG LEU A 25 14.686 44.054 33.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.631 45.239 35.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.997 44.907 34.848 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.664 43.918 36.169 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.518 43.719 34.921 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.674 42.299 35.583 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.252 42.287 33.899 1.00 0.00 H new ATOM 403 N ASN A 26 11.315 42.584 31.430 1.00 0.00 N ATOM 404 CA ASN A 26 10.997 43.040 30.087 1.00 0.00 C ATOM 405 C ASN A 26 9.757 43.935 30.138 1.00 0.00 C ATOM 406 O ASN A 26 9.561 44.780 29.266 1.00 0.00 O ATOM 407 CB ASN A 26 10.690 41.860 29.163 1.00 0.00 C ATOM 408 CG ASN A 26 10.346 42.342 27.753 1.00 0.00 C ATOM 409 OD1 ASN A 26 10.589 43.478 27.381 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.769 41.417 26.990 1.00 0.00 N ATOM 0 H ASN A 26 11.177 41.585 31.585 1.00 0.00 H new ATOM 0 HA ASN A 26 11.859 43.584 29.702 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.550 41.192 29.123 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.858 41.284 29.567 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.502 41.641 26.031 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.594 40.484 27.364 1.00 0.00 H new ATOM 417 N PHE A 27 8.952 43.718 31.168 1.00 0.00 N ATOM 418 CA PHE A 27 7.735 44.494 31.343 1.00 0.00 C ATOM 419 C PHE A 27 7.980 45.695 32.260 1.00 0.00 C ATOM 420 O PHE A 27 7.384 46.755 32.071 1.00 0.00 O ATOM 421 CB PHE A 27 6.706 43.571 31.997 1.00 0.00 C ATOM 422 CG PHE A 27 5.262 43.847 31.569 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.936 45.044 31.012 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.307 42.895 31.746 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.596 45.300 30.616 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.968 43.151 31.349 1.00 0.00 C ATOM 427 CZ PHE A 27 2.641 44.349 30.793 1.00 0.00 C ATOM 0 H PHE A 27 9.118 43.017 31.890 1.00 0.00 H new ATOM 0 HA PHE A 27 7.390 44.869 30.379 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.955 42.538 31.756 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.779 43.672 33.080 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.695 45.799 30.871 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.567 41.945 32.188 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.336 46.251 30.174 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.209 42.395 31.488 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.622 44.544 30.492 1.00 0.00 H new ATOM 437 N LEU A 28 8.856 45.489 33.232 1.00 0.00 N ATOM 438 CA LEU A 28 9.186 46.542 34.177 1.00 0.00 C ATOM 439 C LEU A 28 10.096 47.566 33.496 1.00 0.00 C ATOM 440 O LEU A 28 10.294 48.666 34.012 1.00 0.00 O ATOM 441 CB LEU A 28 9.780 45.946 35.455 1.00 0.00 C ATOM 442 CG LEU A 28 9.895 46.899 36.647 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.545 47.546 36.965 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.489 46.186 37.864 1.00 0.00 C ATOM 0 H LEU A 28 9.347 44.608 33.386 1.00 0.00 H new ATOM 0 HA LEU A 28 8.285 47.072 34.487 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.169 45.094 35.753 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.774 45.561 35.225 1.00 0.00 H new ATOM 0 HG LEU A 28 10.581 47.702 36.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.655 48.218 37.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.199 48.110 36.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.818 46.771 37.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.560 46.886 38.697 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.848 45.351 38.145 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.483 45.813 37.618 1.00 0.00 H new ATOM 456 N GLN A 29 10.624 47.170 32.347 1.00 0.00 N ATOM 457 CA GLN A 29 11.508 48.041 31.590 1.00 0.00 C ATOM 458 C GLN A 29 10.692 49.018 30.742 1.00 0.00 C ATOM 459 O GLN A 29 10.737 50.227 30.968 1.00 0.00 O ATOM 460 CB GLN A 29 12.465 47.226 30.718 1.00 0.00 C ATOM 461 CG GLN A 29 13.814 47.034 31.414 1.00 0.00 C ATOM 462 CD GLN A 29 14.757 46.188 30.558 1.00 0.00 C ATOM 463 OE1 GLN A 29 14.444 45.080 30.152 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.928 46.768 30.307 1.00 0.00 N ATOM 0 H GLN A 29 10.457 46.258 31.922 1.00 0.00 H new ATOM 0 HA GLN A 29 12.110 48.616 32.294 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.024 46.254 30.498 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.613 47.732 29.764 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.268 48.006 31.610 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.663 46.552 32.380 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.126 47.698 30.677 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.627 46.283 29.744 1.00 0.00 H new ATOM 473 N ALA A 30 9.965 48.460 29.786 1.00 0.00 N ATOM 474 CA ALA A 30 9.140 49.267 28.905 1.00 0.00 C ATOM 475 C ALA A 30 8.256 50.192 29.745 1.00 0.00 C ATOM 476 O ALA A 30 7.942 51.304 29.326 1.00 0.00 O ATOM 477 CB ALA A 30 8.323 48.352 27.990 1.00 0.00 C ATOM 0 H ALA A 30 9.930 47.457 29.602 1.00 0.00 H new ATOM 0 HA ALA A 30 9.761 49.895 28.267 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.704 48.958 27.329 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.997 47.738 27.394 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.685 47.708 28.595 1.00 0.00 H new ATOM 483 N ALA A 31 7.879 49.695 30.915 1.00 0.00 N ATOM 484 CA ALA A 31 7.039 50.462 31.817 1.00 0.00 C ATOM 485 C ALA A 31 7.844 51.630 32.390 1.00 0.00 C ATOM 486 O ALA A 31 7.291 52.690 32.677 1.00 0.00 O ATOM 487 CB ALA A 31 6.488 49.543 32.908 1.00 0.00 C ATOM 0 H ALA A 31 8.140 48.771 31.258 1.00 0.00 H new ATOM 0 HA ALA A 31 6.186 50.881 31.283 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.857 50.119 33.585 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.898 48.748 32.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.315 49.105 33.467 1.00 0.00 H new ATOM 493 N TYR A 32 9.140 51.395 32.541 1.00 0.00 N ATOM 494 CA TYR A 32 10.028 52.413 33.075 1.00 0.00 C ATOM 495 C TYR A 32 10.429 53.415 31.990 1.00 0.00 C ATOM 496 O TYR A 32 10.883 54.516 32.295 1.00 0.00 O ATOM 497 CB TYR A 32 11.277 51.673 33.556 1.00 0.00 C ATOM 498 CG TYR A 32 11.703 52.033 34.981 1.00 0.00 C ATOM 499 CD1 TYR A 32 12.097 53.321 35.279 1.00 0.00 C ATOM 500 CD2 TYR A 32 11.695 51.068 35.968 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.498 53.660 36.620 1.00 0.00 C ATOM 502 CE2 TYR A 32 12.096 51.406 37.309 1.00 0.00 C ATOM 503 CZ TYR A 32 12.478 52.686 37.569 1.00 0.00 C ATOM 504 OH TYR A 32 12.857 53.006 38.835 1.00 0.00 O ATOM 0 H TYR A 32 9.596 50.514 32.303 1.00 0.00 H new ATOM 0 HA TYR A 32 9.538 52.969 33.874 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.094 50.600 33.502 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.100 51.890 32.876 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.105 54.075 34.506 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.388 50.059 35.734 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.808 54.665 36.866 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.094 50.661 38.091 1.00 0.00 H new ATOM 0 HH TYR A 32 12.792 52.212 39.406 1.00 0.00 H new ATOM 514 N ARG A 33 10.246 52.997 30.747 1.00 0.00 N ATOM 515 CA ARG A 33 10.584 53.843 29.615 1.00 0.00 C ATOM 516 C ARG A 33 9.445 54.823 29.327 1.00 0.00 C ATOM 517 O ARG A 33 9.588 55.723 28.501 1.00 0.00 O ATOM 518 CB ARG A 33 10.855 53.006 28.363 1.00 0.00 C ATOM 519 CG ARG A 33 12.163 53.433 27.692 1.00 0.00 C ATOM 520 CD ARG A 33 12.857 52.237 27.035 1.00 0.00 C ATOM 521 NE ARG A 33 13.176 52.550 25.625 1.00 0.00 N ATOM 522 CZ ARG A 33 12.257 52.626 24.639 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.950 52.412 24.903 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.654 52.913 23.414 1.00 0.00 N ATOM 0 H ARG A 33 9.868 52.083 30.498 1.00 0.00 H new ATOM 0 HA ARG A 33 11.488 54.395 29.872 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.907 51.951 28.631 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.029 53.117 27.661 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.959 54.197 26.942 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.826 53.882 28.432 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.770 51.993 27.578 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.212 51.359 27.085 1.00 0.00 H new ATOM 0 HE ARG A 33 14.152 52.719 25.382 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.651 52.191 25.853 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.262 52.471 24.153 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.643 53.074 23.223 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.972 52.974 22.658 1.00 0.00 H new ATOM 537 N LEU A 34 8.338 54.616 30.025 1.00 0.00 N ATOM 538 CA LEU A 34 7.174 55.470 29.856 1.00 0.00 C ATOM 539 C LEU A 34 7.181 56.554 30.936 1.00 0.00 C ATOM 540 O LEU A 34 6.957 57.727 30.643 1.00 0.00 O ATOM 541 CB LEU A 34 5.894 54.633 29.832 1.00 0.00 C ATOM 542 CG LEU A 34 5.788 53.602 28.707 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.599 52.665 28.933 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.727 54.285 27.339 1.00 0.00 C ATOM 0 H LEU A 34 8.222 53.869 30.709 1.00 0.00 H new ATOM 0 HA LEU A 34 7.212 55.979 28.893 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.807 54.112 30.785 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.042 55.310 29.759 1.00 0.00 H new ATOM 0 HG LEU A 34 6.689 52.989 28.720 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.546 51.942 28.119 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.725 52.138 29.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.678 53.247 28.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.652 53.529 26.558 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.855 54.938 27.297 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.630 54.876 27.187 1.00 0.00 H new ATOM 665 N PHE A 43 1.039 50.428 38.021 1.00 0.00 N ATOM 666 CA PHE A 43 1.347 49.026 38.248 1.00 0.00 C ATOM 667 C PHE A 43 0.068 48.206 38.432 1.00 0.00 C ATOM 668 O PHE A 43 0.102 46.977 38.382 1.00 0.00 O ATOM 669 CB PHE A 43 2.175 48.952 39.531 1.00 0.00 C ATOM 670 CG PHE A 43 3.673 49.175 39.318 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.306 48.591 38.265 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.374 49.958 40.183 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.696 48.799 38.067 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.765 50.165 39.985 1.00 0.00 C ATOM 675 CZ PHE A 43 6.397 49.581 38.931 1.00 0.00 C ATOM 0 HA PHE A 43 1.886 48.620 37.392 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.804 49.697 40.234 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.025 47.976 39.992 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.750 47.969 37.579 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.873 50.422 41.020 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.197 48.336 37.230 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.321 50.786 40.671 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.455 49.738 38.781 1.00 0.00 H new ATOM 685 N GLN A 44 -1.029 48.919 38.641 1.00 0.00 N ATOM 686 CA GLN A 44 -2.316 48.272 38.833 1.00 0.00 C ATOM 687 C GLN A 44 -2.773 47.604 37.535 1.00 0.00 C ATOM 688 O GLN A 44 -3.058 46.407 37.515 1.00 0.00 O ATOM 689 CB GLN A 44 -3.362 49.271 39.333 1.00 0.00 C ATOM 690 CG GLN A 44 -3.986 48.799 40.648 1.00 0.00 C ATOM 691 CD GLN A 44 -3.080 49.131 41.835 1.00 0.00 C ATOM 692 OE1 GLN A 44 -2.137 48.424 42.147 1.00 0.00 O ATOM 693 NE2 GLN A 44 -3.419 50.246 42.478 1.00 0.00 N ATOM 0 H GLN A 44 -1.053 49.938 38.682 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.203 47.501 39.595 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.899 50.247 39.476 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.141 49.395 38.581 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.958 49.273 40.784 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.159 47.724 40.607 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.221 50.792 42.164 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.877 50.554 43.285 1.00 0.00 H new ATOM 702 N GLN A 45 -2.830 48.406 36.482 1.00 0.00 N ATOM 703 CA GLN A 45 -3.248 47.907 35.183 1.00 0.00 C ATOM 704 C GLN A 45 -2.313 46.789 34.718 1.00 0.00 C ATOM 705 O GLN A 45 -2.663 46.011 33.831 1.00 0.00 O ATOM 706 CB GLN A 45 -3.305 49.038 34.153 1.00 0.00 C ATOM 707 CG GLN A 45 -2.086 49.954 34.277 1.00 0.00 C ATOM 708 CD GLN A 45 -2.431 51.223 35.059 1.00 0.00 C ATOM 709 OE1 GLN A 45 -2.165 51.344 36.244 1.00 0.00 O ATOM 710 NE2 GLN A 45 -3.037 52.158 34.333 1.00 0.00 N ATOM 0 H GLN A 45 -2.594 49.398 36.502 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.253 47.497 35.280 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.348 48.618 33.148 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.217 49.618 34.295 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.277 49.423 34.778 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.725 50.221 33.284 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.230 51.991 33.345 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.309 53.042 34.764 1.00 0.00 H new ATOM 719 N LEU A 46 -1.143 46.743 35.337 1.00 0.00 N ATOM 720 CA LEU A 46 -0.155 45.734 34.998 1.00 0.00 C ATOM 721 C LEU A 46 -0.428 44.466 35.809 1.00 0.00 C ATOM 722 O LEU A 46 -0.628 43.393 35.242 1.00 0.00 O ATOM 723 CB LEU A 46 1.261 46.286 35.178 1.00 0.00 C ATOM 724 CG LEU A 46 2.130 46.328 33.920 1.00 0.00 C ATOM 725 CD1 LEU A 46 3.273 47.333 34.076 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.641 44.932 33.559 1.00 0.00 C ATOM 0 H LEU A 46 -0.857 47.389 36.072 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.234 45.463 33.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.187 47.297 35.578 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.772 45.683 35.928 1.00 0.00 H new ATOM 0 HG LEU A 46 1.512 46.669 33.090 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.875 47.343 33.168 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.862 48.327 34.250 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.897 47.046 34.922 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.256 44.991 32.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.237 44.539 34.382 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.794 44.271 33.376 1.00 0.00 H new ATOM 738 N ARG A 47 -0.429 44.632 37.124 1.00 0.00 N ATOM 739 CA ARG A 47 -0.674 43.515 38.019 1.00 0.00 C ATOM 740 C ARG A 47 -2.000 42.836 37.668 1.00 0.00 C ATOM 741 O ARG A 47 -2.233 41.689 38.049 1.00 0.00 O ATOM 742 CB ARG A 47 -0.716 43.975 39.477 1.00 0.00 C ATOM 743 CG ARG A 47 -0.177 42.890 40.411 1.00 0.00 C ATOM 744 CD ARG A 47 1.045 43.390 41.185 1.00 0.00 C ATOM 745 NE ARG A 47 0.954 42.969 42.600 1.00 0.00 N ATOM 746 CZ ARG A 47 1.872 43.277 43.542 1.00 0.00 C ATOM 747 NH1 ARG A 47 2.961 44.010 43.224 1.00 0.00 N ATOM 748 NH2 ARG A 47 1.691 42.848 44.777 1.00 0.00 N ATOM 0 H ARG A 47 -0.264 45.524 37.591 1.00 0.00 H new ATOM 0 HA ARG A 47 0.146 42.807 37.897 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.126 44.884 39.592 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.741 44.222 39.754 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.956 42.587 41.111 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.092 42.007 39.831 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.956 42.994 40.737 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.105 44.477 41.123 1.00 0.00 H new ATOM 0 HE ARG A 47 0.148 42.411 42.882 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.095 44.335 42.267 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.649 44.238 43.941 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.867 42.293 45.008 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.375 43.072 45.500 1.00 0.00 H new ATOM 761 N ARG A 48 -2.833 43.572 36.948 1.00 0.00 N ATOM 762 CA ARG A 48 -4.129 43.054 36.543 1.00 0.00 C ATOM 763 C ARG A 48 -3.980 42.152 35.316 1.00 0.00 C ATOM 764 O ARG A 48 -4.476 41.025 35.305 1.00 0.00 O ATOM 765 CB ARG A 48 -5.098 44.192 36.215 1.00 0.00 C ATOM 766 CG ARG A 48 -6.548 43.764 36.454 1.00 0.00 C ATOM 767 CD ARG A 48 -7.363 44.905 37.066 1.00 0.00 C ATOM 768 NE ARG A 48 -8.329 45.425 36.073 1.00 0.00 N ATOM 769 CZ ARG A 48 -8.041 46.382 35.165 1.00 0.00 C ATOM 770 NH1 ARG A 48 -6.809 46.932 35.118 1.00 0.00 N ATOM 771 NH2 ARG A 48 -8.982 46.772 34.325 1.00 0.00 N ATOM 0 H ARG A 48 -2.636 44.522 36.635 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.531 42.477 37.376 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.865 45.061 36.830 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.971 44.494 35.176 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.000 43.455 35.511 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.571 42.899 37.117 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.893 44.551 37.950 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.698 45.704 37.392 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.272 45.036 36.075 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.088 46.625 35.771 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.599 47.654 34.429 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.910 46.351 34.368 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.781 47.494 33.633 1.00 0.00 H new ATOM 784 N PHE A 49 -3.295 42.679 34.312 1.00 0.00 N ATOM 785 CA PHE A 49 -3.074 41.935 33.084 1.00 0.00 C ATOM 786 C PHE A 49 -2.282 40.654 33.354 1.00 0.00 C ATOM 787 O PHE A 49 -2.555 39.614 32.757 1.00 0.00 O ATOM 788 CB PHE A 49 -2.260 42.837 32.155 1.00 0.00 C ATOM 789 CG PHE A 49 -1.850 42.169 30.840 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.782 41.527 30.085 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.556 42.218 30.427 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.401 40.908 28.865 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.176 41.599 29.207 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.107 40.956 28.453 1.00 0.00 C ATOM 0 H PHE A 49 -2.885 43.613 34.324 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.030 41.653 32.643 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.843 43.730 31.930 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.362 43.165 32.679 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.810 41.488 30.413 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.183 42.728 31.027 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.140 40.399 28.264 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.852 41.639 28.878 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.818 40.483 27.526 1.00 0.00 H new ATOM 804 N LEU A 50 -1.316 40.771 34.254 1.00 0.00 N ATOM 805 CA LEU A 50 -0.483 39.635 34.609 1.00 0.00 C ATOM 806 C LEU A 50 -1.342 38.574 35.299 1.00 0.00 C ATOM 807 O LEU A 50 -1.347 37.414 34.892 1.00 0.00 O ATOM 808 CB LEU A 50 0.717 40.092 35.442 1.00 0.00 C ATOM 809 CG LEU A 50 1.578 41.197 34.829 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.354 41.952 35.909 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.502 40.636 33.746 1.00 0.00 C ATOM 0 H LEU A 50 -1.092 41.635 34.748 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.065 39.174 33.714 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.352 40.438 36.409 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.353 39.227 35.632 1.00 0.00 H new ATOM 0 HG LEU A 50 0.916 41.916 34.347 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.958 42.732 35.445 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.654 42.405 36.611 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.004 41.258 36.442 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.103 41.443 33.327 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.159 39.883 34.182 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.903 40.182 32.957 1.00 0.00 H new ATOM 823 N LYS A 51 -2.049 39.010 36.332 1.00 0.00 N ATOM 824 CA LYS A 51 -2.910 38.112 37.082 1.00 0.00 C ATOM 825 C LYS A 51 -3.937 37.488 36.135 1.00 0.00 C ATOM 826 O LYS A 51 -4.431 36.389 36.386 1.00 0.00 O ATOM 827 CB LYS A 51 -3.536 38.840 38.274 1.00 0.00 C ATOM 828 CG LYS A 51 -4.025 37.846 39.329 1.00 0.00 C ATOM 829 CD LYS A 51 -5.022 38.506 40.283 1.00 0.00 C ATOM 830 CE LYS A 51 -4.301 39.369 41.319 1.00 0.00 C ATOM 831 NZ LYS A 51 -4.355 40.797 40.933 1.00 0.00 N ATOM 0 H LYS A 51 -2.043 39.973 36.667 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.329 37.294 37.507 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.804 39.515 38.717 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.370 39.453 37.933 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.495 36.993 38.840 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.175 37.462 39.894 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.721 39.121 39.716 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.609 37.739 40.788 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.761 39.233 42.298 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.263 39.049 41.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.861 41.369 41.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.895 40.924 40.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.347 41.103 40.871 1.00 0.00 H new ATOM 844 N LEU A 52 -4.228 38.215 35.066 1.00 0.00 N ATOM 845 CA LEU A 52 -5.187 37.746 34.080 1.00 0.00 C ATOM 846 C LEU A 52 -4.586 36.569 33.310 1.00 0.00 C ATOM 847 O LEU A 52 -5.184 35.496 33.242 1.00 0.00 O ATOM 848 CB LEU A 52 -5.641 38.899 33.184 1.00 0.00 C ATOM 849 CG LEU A 52 -6.432 38.506 31.935 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.144 39.719 31.332 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.533 37.805 30.915 1.00 0.00 C ATOM 0 H LEU A 52 -3.816 39.126 34.861 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.089 37.379 34.570 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.253 39.576 33.779 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.759 39.458 32.871 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.203 37.794 32.229 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.699 39.412 30.445 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.834 40.137 32.065 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.407 40.473 31.056 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.120 37.536 30.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.725 38.475 30.621 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.112 36.903 31.360 1.00 0.00 H new ATOM 863 N ALA A 53 -3.410 36.809 32.749 1.00 0.00 N ATOM 864 CA ALA A 53 -2.721 35.781 31.986 1.00 0.00 C ATOM 865 C ALA A 53 -2.426 34.588 32.896 1.00 0.00 C ATOM 866 O ALA A 53 -2.388 33.448 32.438 1.00 0.00 O ATOM 867 CB ALA A 53 -1.451 36.370 31.366 1.00 0.00 C ATOM 0 H ALA A 53 -2.917 37.700 32.807 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.348 35.425 31.169 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.934 35.599 30.794 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.717 37.195 30.705 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.796 36.735 32.157 1.00 0.00 H new ATOM 873 N LEU A 54 -2.225 34.891 34.170 1.00 0.00 N ATOM 874 CA LEU A 54 -1.935 33.858 35.149 1.00 0.00 C ATOM 875 C LEU A 54 -3.015 32.777 35.079 1.00 0.00 C ATOM 876 O LEU A 54 -2.748 31.608 35.353 1.00 0.00 O ATOM 877 CB LEU A 54 -1.766 34.470 36.541 1.00 0.00 C ATOM 878 CG LEU A 54 -0.404 34.258 37.207 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.728 34.364 36.184 1.00 0.00 C ATOM 880 CD2 LEU A 54 -0.211 35.223 38.378 1.00 0.00 C ATOM 0 H LEU A 54 -2.257 35.838 34.547 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.985 33.375 34.922 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.950 35.542 36.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.535 34.057 37.193 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.376 33.248 37.615 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.685 34.210 36.683 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.594 33.605 35.413 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.713 35.353 35.726 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.764 35.052 38.834 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.267 36.250 38.016 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.992 35.056 39.119 1.00 0.00 H new ATOM 892 N LYS A 55 -4.214 33.207 34.711 1.00 0.00 N ATOM 893 CA LYS A 55 -5.336 32.291 34.602 1.00 0.00 C ATOM 894 C LYS A 55 -5.112 31.356 33.412 1.00 0.00 C ATOM 895 O LYS A 55 -5.860 30.399 33.219 1.00 0.00 O ATOM 896 CB LYS A 55 -6.654 33.064 34.537 1.00 0.00 C ATOM 897 CG LYS A 55 -6.910 33.823 35.841 1.00 0.00 C ATOM 898 CD LYS A 55 -8.105 33.232 36.593 1.00 0.00 C ATOM 899 CE LYS A 55 -9.330 34.140 36.475 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.094 35.424 37.171 1.00 0.00 N ATOM 0 H LYS A 55 -4.432 34.177 34.485 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.404 31.665 35.491 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.627 33.765 33.703 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.476 32.373 34.347 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.022 33.780 36.471 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.096 34.875 35.623 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.339 32.245 36.193 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.848 33.097 37.644 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.553 34.325 35.424 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.201 33.643 36.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.003 35.821 37.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.483 35.264 37.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.630 36.091 36.522 1.00 0.00 H new ATOM 913 N THR A 56 -4.077 31.666 32.643 1.00 0.00 N ATOM 914 CA THR A 56 -3.745 30.864 31.477 1.00 0.00 C ATOM 915 C THR A 56 -2.300 30.367 31.566 1.00 0.00 C ATOM 916 O THR A 56 -1.395 30.974 30.995 1.00 0.00 O ATOM 917 CB THR A 56 -4.022 31.708 30.231 1.00 0.00 C ATOM 918 OG1 THR A 56 -5.247 32.374 30.527 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.352 30.851 29.007 1.00 0.00 C ATOM 0 H THR A 56 -3.458 32.461 32.805 1.00 0.00 H new ATOM 0 HA THR A 56 -4.361 29.967 31.424 1.00 0.00 H new ATOM 0 HB THR A 56 -3.155 32.333 30.016 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.500 32.945 29.772 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.540 31.498 28.150 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.512 30.192 28.787 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.239 30.252 29.211 1.00 0.00 H new ATOM 927 N PRO A 57 -2.126 29.239 32.304 1.00 0.00 N ATOM 928 CA PRO A 57 -0.807 28.653 32.474 1.00 0.00 C ATOM 929 C PRO A 57 -0.359 27.931 31.202 1.00 0.00 C ATOM 930 O PRO A 57 0.008 26.758 31.246 1.00 0.00 O ATOM 931 CB PRO A 57 -0.942 27.723 33.668 1.00 0.00 C ATOM 932 CG PRO A 57 -2.431 27.467 33.832 1.00 0.00 C ATOM 933 CD PRO A 57 -3.175 28.493 32.993 1.00 0.00 C ATOM 0 HA PRO A 57 -0.034 29.401 32.653 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.402 26.791 33.500 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.523 28.177 34.566 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.682 26.456 33.511 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.719 27.549 34.880 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.849 28.012 32.285 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.783 29.149 33.616 1.00 0.00 H new ATOM 941 N ILE A 58 -0.404 28.663 30.098 1.00 0.00 N ATOM 942 CA ILE A 58 -0.007 28.107 28.815 1.00 0.00 C ATOM 943 C ILE A 58 1.198 28.883 28.280 1.00 0.00 C ATOM 944 O ILE A 58 1.941 28.379 27.438 1.00 0.00 O ATOM 945 CB ILE A 58 -1.196 28.078 27.853 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.760 28.437 26.431 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.327 28.980 28.352 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.173 27.369 25.858 1.00 0.00 C ATOM 0 H ILE A 58 -0.709 29.636 30.065 1.00 0.00 H new ATOM 0 HA ILE A 58 0.306 27.069 28.929 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.586 27.061 27.822 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.638 28.539 25.793 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.254 29.403 26.435 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.160 28.941 27.650 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.661 28.637 29.331 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.966 30.006 28.431 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.468 27.648 24.847 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.061 27.287 26.485 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.344 26.410 25.833 1.00 0.00 H new ATOM 960 N TRP A 59 1.356 30.096 28.790 1.00 0.00 N ATOM 961 CA TRP A 59 2.458 30.946 28.373 1.00 0.00 C ATOM 962 C TRP A 59 3.589 30.786 29.390 1.00 0.00 C ATOM 963 O TRP A 59 4.752 31.033 29.075 1.00 0.00 O ATOM 964 CB TRP A 59 2.000 32.397 28.211 1.00 0.00 C ATOM 965 CG TRP A 59 1.169 32.922 29.384 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.133 32.724 29.625 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.641 33.745 30.471 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.535 33.356 30.784 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.579 33.997 31.315 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.923 34.259 30.734 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.689 34.770 32.477 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.017 35.029 31.900 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.957 35.292 32.759 1.00 0.00 C ATOM 0 H TRP A 59 0.739 30.510 29.488 1.00 0.00 H new ATOM 0 HA TRP A 59 2.827 30.646 27.392 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.877 33.032 28.087 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.413 32.482 27.296 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.787 32.143 28.992 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.476 33.353 31.178 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.768 34.075 30.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.158 34.954 33.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.981 35.448 32.149 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.111 35.897 33.641 1.00 0.00 H new ATOM 984 N LEU A 60 3.209 30.372 30.590 1.00 0.00 N ATOM 985 CA LEU A 60 4.177 30.175 31.656 1.00 0.00 C ATOM 986 C LEU A 60 5.082 28.993 31.305 1.00 0.00 C ATOM 987 O LEU A 60 6.306 29.125 31.292 1.00 0.00 O ATOM 988 CB LEU A 60 3.468 30.028 33.004 1.00 0.00 C ATOM 989 CG LEU A 60 3.715 31.147 34.018 1.00 0.00 C ATOM 990 CD1 LEU A 60 3.892 32.494 33.314 1.00 0.00 C ATOM 991 CD2 LEU A 60 2.604 31.190 35.068 1.00 0.00 C ATOM 0 H LEU A 60 2.244 30.167 30.848 1.00 0.00 H new ATOM 0 HA LEU A 60 4.819 31.050 31.754 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.395 29.960 32.822 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.776 29.084 33.453 1.00 0.00 H new ATOM 0 HG LEU A 60 4.646 30.934 34.544 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.066 33.273 34.057 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.744 32.441 32.637 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.992 32.729 32.746 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.804 31.994 35.776 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.647 31.368 34.578 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.568 30.239 35.599 1.00 0.00 H new ATOM 1003 N ASN A 61 4.447 27.863 31.029 1.00 0.00 N ATOM 1004 CA ASN A 61 5.180 26.658 30.678 1.00 0.00 C ATOM 1005 C ASN A 61 6.239 26.999 29.629 1.00 0.00 C ATOM 1006 O ASN A 61 7.433 26.811 29.862 1.00 0.00 O ATOM 1007 CB ASN A 61 4.248 25.601 30.084 1.00 0.00 C ATOM 1008 CG ASN A 61 4.199 24.354 30.969 1.00 0.00 C ATOM 1009 OD1 ASN A 61 5.163 23.984 31.619 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.025 23.729 30.958 1.00 0.00 N ATOM 0 H ASN A 61 3.433 27.757 31.041 1.00 0.00 H new ATOM 0 HA ASN A 61 5.639 26.265 31.585 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.245 26.014 29.976 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.590 25.329 29.085 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.891 22.886 31.517 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.259 24.093 30.391 1.00 0.00 H new ATOM 1017 N PRO A 62 5.754 27.507 28.465 1.00 0.00 N ATOM 1018 CA PRO A 62 6.646 27.875 27.379 1.00 0.00 C ATOM 1019 C PRO A 62 7.374 29.184 27.687 1.00 0.00 C ATOM 1020 O PRO A 62 8.306 29.564 26.977 1.00 0.00 O ATOM 1021 CB PRO A 62 5.755 27.964 26.150 1.00 0.00 C ATOM 1022 CG PRO A 62 4.335 28.101 26.675 1.00 0.00 C ATOM 1023 CD PRO A 62 4.348 27.743 28.152 1.00 0.00 C ATOM 0 HA PRO A 62 7.443 27.147 27.224 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.027 28.819 25.531 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.858 27.075 25.528 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.972 29.119 26.532 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.661 27.442 26.128 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.938 28.550 28.759 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.744 26.857 28.350 1.00 0.00 H new ATOM 1031 N ILE A 63 6.922 29.842 28.745 1.00 0.00 N ATOM 1032 CA ILE A 63 7.517 31.101 29.155 1.00 0.00 C ATOM 1033 C ILE A 63 7.909 31.904 27.913 1.00 0.00 C ATOM 1034 O ILE A 63 9.036 31.797 27.431 1.00 0.00 O ATOM 1035 CB ILE A 63 8.680 30.854 30.120 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.212 32.173 30.685 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.782 30.032 29.452 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.062 33.103 31.081 1.00 0.00 C ATOM 0 H ILE A 63 6.149 29.525 29.331 1.00 0.00 H new ATOM 0 HA ILE A 63 6.795 31.702 29.708 1.00 0.00 H new ATOM 0 HB ILE A 63 8.308 30.269 30.961 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.839 31.974 31.554 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.842 32.663 29.943 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.596 29.871 30.159 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.378 29.069 29.138 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.159 30.568 28.581 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.467 34.033 31.480 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.451 33.319 30.205 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.448 32.619 31.841 1.00 0.00 H new ATOM 1050 N ASP A 64 6.957 32.688 27.430 1.00 0.00 N ATOM 1051 CA ASP A 64 7.188 33.509 26.253 1.00 0.00 C ATOM 1052 C ASP A 64 6.206 34.681 26.252 1.00 0.00 C ATOM 1053 O ASP A 64 4.994 34.479 26.194 1.00 0.00 O ATOM 1054 CB ASP A 64 6.967 32.706 24.970 1.00 0.00 C ATOM 1055 CG ASP A 64 8.244 32.212 24.288 1.00 0.00 C ATOM 1056 OD1 ASP A 64 9.355 32.376 24.815 1.00 0.00 O ATOM 1057 OD2 ASP A 64 8.065 31.631 23.150 1.00 0.00 O ATOM 0 H ASP A 64 6.023 32.772 27.832 1.00 0.00 H new ATOM 0 HA ASP A 64 8.219 33.861 26.285 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.340 31.845 25.202 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.412 33.323 24.264 1.00 0.00 H new ATOM 1063 N TYR A 65 6.764 35.880 26.319 1.00 0.00 N ATOM 1064 CA TYR A 65 5.952 37.085 26.327 1.00 0.00 C ATOM 1065 C TYR A 65 5.192 37.243 25.008 1.00 0.00 C ATOM 1066 O TYR A 65 4.319 38.100 24.890 1.00 0.00 O ATOM 1067 CB TYR A 65 6.930 38.252 26.481 1.00 0.00 C ATOM 1068 CG TYR A 65 6.342 39.466 27.204 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.422 40.270 26.564 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.732 39.755 28.496 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.868 41.413 27.244 1.00 0.00 C ATOM 1072 CE2 TYR A 65 6.178 40.897 29.175 1.00 0.00 C ATOM 1073 CZ TYR A 65 5.273 41.670 28.516 1.00 0.00 C ATOM 1074 OH TYR A 65 4.750 42.748 29.159 1.00 0.00 O ATOM 0 H TYR A 65 7.770 36.043 26.368 1.00 0.00 H new ATOM 0 HA TYR A 65 5.217 37.047 27.131 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.808 37.907 27.027 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.270 38.560 25.492 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.117 40.043 25.553 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.452 39.125 28.997 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.147 42.051 26.754 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.474 41.135 30.186 1.00 0.00 H new ATOM 0 HH TYR A 65 5.142 42.817 30.054 1.00 0.00 H new ATOM 1084 N SER A 66 5.554 36.403 24.050 1.00 0.00 N ATOM 1085 CA SER A 66 4.917 36.438 22.744 1.00 0.00 C ATOM 1086 C SER A 66 3.442 36.054 22.871 1.00 0.00 C ATOM 1087 O SER A 66 2.599 36.561 22.132 1.00 0.00 O ATOM 1088 CB SER A 66 5.627 35.506 21.760 1.00 0.00 C ATOM 1089 OG SER A 66 4.886 34.310 21.531 1.00 0.00 O ATOM 0 H SER A 66 6.280 35.694 24.152 1.00 0.00 H new ATOM 0 HA SER A 66 4.988 37.454 22.355 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.779 36.025 20.814 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.614 35.253 22.147 1.00 0.00 H new ATOM 0 HG SER A 66 5.370 33.742 20.896 1.00 0.00 H new ATOM 1095 N LEU A 67 3.175 35.161 23.812 1.00 0.00 N ATOM 1096 CA LEU A 67 1.816 34.702 24.045 1.00 0.00 C ATOM 1097 C LEU A 67 1.098 35.693 24.964 1.00 0.00 C ATOM 1098 O LEU A 67 -0.129 35.697 25.042 1.00 0.00 O ATOM 1099 CB LEU A 67 1.818 33.266 24.573 1.00 0.00 C ATOM 1100 CG LEU A 67 0.443 32.623 24.772 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.570 31.111 24.972 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.314 33.292 25.921 1.00 0.00 C ATOM 0 H LEU A 67 3.877 34.743 24.423 1.00 0.00 H new ATOM 0 HA LEU A 67 1.259 34.672 23.109 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.390 32.647 23.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.346 33.251 25.527 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.143 32.780 23.866 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.421 30.678 25.111 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.041 30.666 24.095 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.181 30.910 25.852 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.287 32.816 26.041 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.257 33.187 26.843 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.452 34.350 25.698 1.00 0.00 H new ATOM 1114 N LEU A 68 1.895 36.511 25.636 1.00 0.00 N ATOM 1115 CA LEU A 68 1.351 37.505 26.546 1.00 0.00 C ATOM 1116 C LEU A 68 0.551 38.537 25.748 1.00 0.00 C ATOM 1117 O LEU A 68 -0.652 38.691 25.955 1.00 0.00 O ATOM 1118 CB LEU A 68 2.464 38.116 27.399 1.00 0.00 C ATOM 1119 CG LEU A 68 2.573 37.593 28.834 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.561 38.429 29.649 1.00 0.00 C ATOM 1121 CD2 LEU A 68 1.197 37.523 29.498 1.00 0.00 C ATOM 0 H LEU A 68 2.913 36.506 25.569 1.00 0.00 H new ATOM 0 HA LEU A 68 0.660 37.040 27.250 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.416 37.943 26.897 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.315 39.195 27.437 1.00 0.00 H new ATOM 0 HG LEU A 68 2.965 36.577 28.798 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.619 38.036 30.664 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.546 38.383 29.185 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.223 39.465 29.680 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.303 37.148 30.516 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.753 38.518 29.522 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.553 36.852 28.930 1.00 0.00 H new ATOM 1133 N ALA A 69 1.251 39.218 24.853 1.00 0.00 N ATOM 1134 CA ALA A 69 0.621 40.231 24.022 1.00 0.00 C ATOM 1135 C ALA A 69 -0.571 39.614 23.289 1.00 0.00 C ATOM 1136 O ALA A 69 -1.455 40.330 22.822 1.00 0.00 O ATOM 1137 CB ALA A 69 1.657 40.819 23.061 1.00 0.00 C ATOM 0 H ALA A 69 2.249 39.089 24.685 1.00 0.00 H new ATOM 0 HA ALA A 69 0.243 41.050 24.634 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.185 41.579 22.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.468 41.271 23.632 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.057 40.027 22.428 1.00 0.00 H new ATOM 1143 N SER A 70 -0.558 38.291 23.211 1.00 0.00 N ATOM 1144 CA SER A 70 -1.627 37.570 22.543 1.00 0.00 C ATOM 1145 C SER A 70 -2.889 37.585 23.409 1.00 0.00 C ATOM 1146 O SER A 70 -3.985 37.835 22.909 1.00 0.00 O ATOM 1147 CB SER A 70 -1.211 36.130 22.235 1.00 0.00 C ATOM 1148 OG SER A 70 -2.070 35.521 21.274 1.00 0.00 O ATOM 0 H SER A 70 0.177 37.700 23.600 1.00 0.00 H new ATOM 0 HA SER A 70 -1.838 38.069 21.597 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.186 36.120 21.863 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.222 35.545 23.154 1.00 0.00 H new ATOM 0 HG SER A 70 -1.771 34.604 21.103 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.692 37.314 24.690 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.800 37.293 25.629 1.00 0.00 C ATOM 1156 C LEU A 71 -4.568 38.613 25.534 1.00 0.00 C ATOM 1157 O LEU A 71 -5.788 38.637 25.691 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.301 36.972 27.039 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.809 35.663 27.650 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.699 34.611 27.690 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.423 35.903 29.030 1.00 0.00 C ATOM 0 H LEU A 71 -1.781 37.107 25.100 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.500 36.497 25.375 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.212 36.942 27.019 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.585 37.792 27.699 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.601 35.272 27.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.085 33.691 28.128 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.350 34.412 26.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.870 34.980 28.293 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.776 34.957 29.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.671 36.329 29.694 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.261 36.594 28.940 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.824 39.678 25.277 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.419 40.997 25.160 1.00 0.00 C ATOM 1175 C ILE A 72 -5.566 40.946 24.148 1.00 0.00 C ATOM 1176 O ILE A 72 -5.350 40.642 22.976 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.350 42.040 24.826 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.255 42.063 25.894 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.977 43.420 24.617 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.317 43.254 25.690 1.00 0.00 C ATOM 0 H ILE A 72 -2.813 39.654 25.146 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.847 41.308 26.113 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.877 41.756 23.886 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.708 42.118 26.884 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.684 41.135 25.855 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.196 44.143 24.381 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.690 43.375 23.794 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.492 43.727 25.527 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.548 43.248 26.462 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.847 43.183 24.709 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.887 44.181 25.753 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.791 41.256 24.651 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.971 41.248 23.804 1.00 0.00 C ATOM 1194 C PRO A 73 -7.998 42.475 22.890 1.00 0.00 C ATOM 1195 O PRO A 73 -9.016 43.159 22.793 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.146 41.199 24.767 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.601 41.650 26.112 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.083 41.620 26.034 1.00 0.00 C ATOM 0 HA PRO A 73 -7.995 40.397 23.124 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.952 41.852 24.433 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.558 40.192 24.830 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.951 42.655 26.348 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.955 40.994 26.907 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.654 42.589 26.287 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.665 40.894 26.731 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.868 42.715 22.242 1.00 0.00 N ATOM 1207 CA LYS A 74 -6.749 43.847 21.338 1.00 0.00 C ATOM 1208 C LYS A 74 -7.715 44.949 21.779 1.00 0.00 C ATOM 1209 O LYS A 74 -8.858 44.994 21.327 1.00 0.00 O ATOM 1210 CB LYS A 74 -6.947 43.400 19.889 1.00 0.00 C ATOM 1211 CG LYS A 74 -6.120 44.260 18.932 1.00 0.00 C ATOM 1212 CD LYS A 74 -4.683 43.743 18.831 1.00 0.00 C ATOM 1213 CE LYS A 74 -3.719 44.874 18.469 1.00 0.00 C ATOM 1214 NZ LYS A 74 -3.651 45.868 19.563 1.00 0.00 N ATOM 0 H LYS A 74 -6.026 42.145 22.325 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.744 44.266 21.383 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.659 42.354 19.785 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.002 43.468 19.625 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.581 44.257 17.944 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.115 45.293 19.279 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.386 43.296 19.780 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.627 42.957 18.077 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.726 44.466 18.278 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.047 45.359 17.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.709 46.308 19.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.374 46.600 19.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.822 45.395 20.473 1.00 0.00 H new ATOM 1227 N GLY A 75 -7.220 45.810 22.656 1.00 0.00 N ATOM 1228 CA GLY A 75 -8.025 46.908 23.162 1.00 0.00 C ATOM 1229 C GLY A 75 -7.958 46.979 24.690 1.00 0.00 C ATOM 1230 O GLY A 75 -8.547 47.869 25.299 1.00 0.00 O ATOM 0 H GLY A 75 -6.271 45.769 23.029 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.674 47.848 22.735 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.060 46.781 22.845 1.00 0.00 H new ATOM 1234 N TYR A 76 -7.234 46.028 25.262 1.00 0.00 N ATOM 1235 CA TYR A 76 -7.082 45.972 26.706 1.00 0.00 C ATOM 1236 C TYR A 76 -7.008 47.378 27.306 1.00 0.00 C ATOM 1237 O TYR A 76 -6.505 48.302 26.668 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.757 45.250 26.963 1.00 0.00 C ATOM 1239 CG TYR A 76 -5.560 44.810 28.415 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -6.195 43.679 28.885 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -4.746 45.544 29.254 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -6.009 43.264 30.251 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -4.560 45.129 30.620 1.00 0.00 C ATOM 1244 CZ TYR A 76 -5.201 44.010 31.052 1.00 0.00 C ATOM 1245 OH TYR A 76 -5.024 43.617 32.342 1.00 0.00 O ATOM 0 H TYR A 76 -6.747 45.291 24.752 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.931 45.463 27.161 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.702 44.373 26.318 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.936 45.908 26.679 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.832 43.105 28.228 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.249 46.429 28.886 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.500 42.380 30.631 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.925 45.694 31.287 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.628 44.351 32.856 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.529 47.498 28.556 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.526 48.775 29.248 1.00 0.00 C ATOM 1257 C PRO A 77 -6.126 49.118 29.761 1.00 0.00 C ATOM 1258 O PRO A 77 -5.149 48.466 29.394 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.546 48.620 30.364 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.741 47.123 30.546 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.132 46.425 29.340 1.00 0.00 C ATOM 0 HA PRO A 77 -7.792 49.607 28.596 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.191 49.082 31.285 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.486 49.108 30.105 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.263 46.784 31.465 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.801 46.883 30.631 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.387 45.689 29.643 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.890 45.893 28.766 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.073 50.140 30.602 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.808 50.578 31.170 1.00 0.00 C ATOM 1271 C GLY A 78 -3.767 50.813 30.074 1.00 0.00 C ATOM 1272 O GLY A 78 -4.083 50.741 28.887 1.00 0.00 O ATOM 0 H GLY A 78 -6.885 50.678 30.904 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.958 51.497 31.737 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.441 49.828 31.871 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.548 51.090 30.509 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.459 51.337 29.580 1.00 0.00 C ATOM 1278 C ARG A 79 -0.576 50.093 29.454 1.00 0.00 C ATOM 1279 O ARG A 79 0.585 50.189 29.059 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.601 52.519 30.037 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.407 53.819 30.022 1.00 0.00 C ATOM 1282 CD ARG A 79 -1.864 54.197 31.432 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.198 55.448 31.861 1.00 0.00 N ATOM 1284 CZ ARG A 79 -1.550 56.678 31.430 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -2.563 56.834 30.552 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -0.886 57.727 31.880 1.00 0.00 N ATOM 0 H ARG A 79 -2.290 51.149 31.494 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.898 51.575 28.611 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.224 52.332 31.043 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.267 52.617 29.384 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.800 54.623 29.605 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.275 53.705 29.373 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.946 54.327 31.450 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.628 53.392 32.128 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.425 55.376 32.523 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.070 56.018 30.208 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.822 57.767 30.232 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.121 57.600 32.542 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.138 58.664 31.565 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.160 48.955 29.800 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.441 47.694 29.730 1.00 0.00 C ATOM 1301 C VAL A 80 0.034 47.462 28.294 1.00 0.00 C ATOM 1302 O VAL A 80 1.167 47.035 28.073 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.321 46.560 30.260 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.525 45.481 29.195 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.733 45.963 31.540 1.00 0.00 C ATOM 0 H VAL A 80 -2.122 48.880 30.129 1.00 0.00 H new ATOM 0 HA VAL A 80 0.445 47.723 30.364 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.297 46.979 30.503 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.154 44.687 29.597 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.008 45.919 28.321 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.559 45.067 28.906 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.377 45.159 31.896 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.261 45.567 31.333 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.663 46.737 32.304 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.855 47.751 27.356 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.542 47.578 25.948 1.00 0.00 C ATOM 1317 C VAL A 81 0.498 48.620 25.530 1.00 0.00 C ATOM 1318 O VAL A 81 1.407 48.320 24.757 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.822 47.645 25.114 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.556 47.226 23.667 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.927 46.789 25.738 1.00 0.00 C ATOM 0 H VAL A 81 -1.793 48.104 27.544 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.107 46.594 25.772 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.163 48.680 25.106 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.483 47.283 23.096 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.816 47.893 23.225 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.180 46.203 23.648 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.827 46.854 25.126 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.598 45.751 25.790 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.145 47.152 26.743 1.00 0.00 H new ATOM 1331 N GLU A 82 0.332 49.822 26.062 1.00 0.00 N ATOM 1332 CA GLU A 82 1.244 50.910 25.754 1.00 0.00 C ATOM 1333 C GLU A 82 2.678 50.519 26.120 1.00 0.00 C ATOM 1334 O GLU A 82 3.630 50.979 25.492 1.00 0.00 O ATOM 1335 CB GLU A 82 0.826 52.195 26.470 1.00 0.00 C ATOM 1336 CG GLU A 82 1.734 53.363 26.076 1.00 0.00 C ATOM 1337 CD GLU A 82 1.197 54.685 26.627 1.00 0.00 C ATOM 1338 OE1 GLU A 82 1.453 55.749 26.043 1.00 0.00 O ATOM 1339 OE2 GLU A 82 0.489 54.581 27.700 1.00 0.00 O ATOM 0 H GLU A 82 -0.421 50.066 26.705 1.00 0.00 H new ATOM 0 HA GLU A 82 1.202 51.101 24.682 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.208 52.434 26.222 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.868 52.045 27.549 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.741 53.189 26.455 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.808 53.421 24.990 1.00 0.00 H new ATOM 1347 N ILE A 83 2.786 49.675 27.135 1.00 0.00 N ATOM 1348 CA ILE A 83 4.088 49.217 27.592 1.00 0.00 C ATOM 1349 C ILE A 83 4.556 48.059 26.709 1.00 0.00 C ATOM 1350 O ILE A 83 5.667 48.086 26.182 1.00 0.00 O ATOM 1351 CB ILE A 83 4.042 48.874 29.082 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.401 50.007 29.886 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.434 48.516 29.605 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.627 49.457 31.087 1.00 0.00 C ATOM 0 H ILE A 83 1.994 49.296 27.654 1.00 0.00 H new ATOM 0 HA ILE A 83 4.827 50.012 27.494 1.00 0.00 H new ATOM 0 HB ILE A 83 3.413 47.993 29.211 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.173 50.695 30.230 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.728 50.577 29.245 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.373 48.276 30.667 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.817 47.653 29.060 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.105 49.363 29.462 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.181 50.283 31.642 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.841 48.788 30.738 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.307 48.908 31.738 1.00 0.00 H new ATOM 1366 N ILE A 84 3.685 47.071 26.573 1.00 0.00 N ATOM 1367 CA ILE A 84 3.995 45.905 25.763 1.00 0.00 C ATOM 1368 C ILE A 84 4.215 46.343 24.313 1.00 0.00 C ATOM 1369 O ILE A 84 4.967 45.706 23.575 1.00 0.00 O ATOM 1370 CB ILE A 84 2.913 44.836 25.925 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.709 44.482 27.399 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.229 43.603 25.076 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.476 43.594 27.584 1.00 0.00 C ATOM 0 H ILE A 84 2.764 47.053 27.010 1.00 0.00 H new ATOM 0 HA ILE A 84 4.921 45.441 26.102 1.00 0.00 H new ATOM 0 HB ILE A 84 1.971 45.245 25.559 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.592 43.968 27.779 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.595 45.395 27.984 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.444 42.858 25.210 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.283 43.889 24.026 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.185 43.182 25.387 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.354 43.357 28.641 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.591 44.120 27.225 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.604 42.672 27.018 1.00 0.00 H new ATOM 1385 N ASN A 85 3.546 47.426 23.946 1.00 0.00 N ATOM 1386 CA ASN A 85 3.659 47.955 22.598 1.00 0.00 C ATOM 1387 C ASN A 85 5.118 48.321 22.320 1.00 0.00 C ATOM 1388 O ASN A 85 5.590 48.190 21.192 1.00 0.00 O ATOM 1389 CB ASN A 85 2.814 49.219 22.430 1.00 0.00 C ATOM 1390 CG ASN A 85 3.170 49.948 21.133 1.00 0.00 C ATOM 1391 OD1 ASN A 85 3.707 49.378 20.197 1.00 0.00 O ATOM 1392 ND2 ASN A 85 2.841 51.237 21.129 1.00 0.00 N ATOM 0 H ASN A 85 2.923 47.952 24.559 1.00 0.00 H new ATOM 0 HA ASN A 85 3.307 47.191 21.905 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.756 48.956 22.425 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.973 49.883 23.280 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.036 51.811 20.309 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.393 51.652 21.946 1.00 0.00 H new ATOM 1399 N ILE A 86 5.791 48.773 23.367 1.00 0.00 N ATOM 1400 CA ILE A 86 7.187 49.161 23.249 1.00 0.00 C ATOM 1401 C ILE A 86 8.023 47.932 22.883 1.00 0.00 C ATOM 1402 O ILE A 86 9.007 48.041 22.154 1.00 0.00 O ATOM 1403 CB ILE A 86 7.657 49.867 24.523 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.172 51.318 24.555 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.175 49.765 24.677 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.899 51.772 25.990 1.00 0.00 C ATOM 0 H ILE A 86 5.396 48.880 24.301 1.00 0.00 H new ATOM 0 HA ILE A 86 7.315 49.886 22.445 1.00 0.00 H new ATOM 0 HB ILE A 86 7.213 49.360 25.380 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.922 51.966 24.101 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.264 51.415 23.960 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.483 50.275 25.590 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.466 48.716 24.731 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.660 50.232 23.820 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.556 52.806 25.985 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.132 51.137 26.433 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.815 51.697 26.576 1.00 0.00 H new ATOM 1418 N LEU A 87 7.600 46.790 23.407 1.00 0.00 N ATOM 1419 CA LEU A 87 8.297 45.543 23.144 1.00 0.00 C ATOM 1420 C LEU A 87 8.033 45.111 21.701 1.00 0.00 C ATOM 1421 O LEU A 87 8.950 44.685 21.000 1.00 0.00 O ATOM 1422 CB LEU A 87 7.913 44.486 24.183 1.00 0.00 C ATOM 1423 CG LEU A 87 7.921 44.946 25.642 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.331 43.872 26.558 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.327 45.362 26.079 1.00 0.00 C ATOM 0 H LEU A 87 6.784 46.703 24.012 1.00 0.00 H new ATOM 0 HA LEU A 87 9.374 45.679 23.244 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.916 44.116 23.945 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.597 43.643 24.085 1.00 0.00 H new ATOM 0 HG LEU A 87 7.284 45.827 25.726 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.348 44.224 27.589 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.302 43.666 26.262 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.921 42.959 26.476 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.304 45.685 27.120 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.005 44.515 25.976 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.675 46.183 25.452 1.00 0.00 H new ATOM 1437 N VAL A 88 6.777 45.234 21.299 1.00 0.00 N ATOM 1438 CA VAL A 88 6.382 44.861 19.952 1.00 0.00 C ATOM 1439 C VAL A 88 6.965 45.867 18.957 1.00 0.00 C ATOM 1440 O VAL A 88 7.573 45.479 17.961 1.00 0.00 O ATOM 1441 CB VAL A 88 4.858 44.750 19.866 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.382 44.866 18.416 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.366 43.448 20.503 1.00 0.00 C ATOM 0 H VAL A 88 6.019 45.587 21.883 1.00 0.00 H new ATOM 0 HA VAL A 88 6.782 43.880 19.694 1.00 0.00 H new ATOM 0 HB VAL A 88 4.429 45.580 20.427 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.296 44.784 18.382 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.686 45.831 18.009 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.825 44.066 17.823 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.280 43.394 20.428 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.808 42.598 19.982 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.659 43.423 21.552 1.00 0.00 H new ATOM 1453 N LYS A 89 6.759 47.140 19.262 1.00 0.00 N ATOM 1454 CA LYS A 89 7.257 48.204 18.408 1.00 0.00 C ATOM 1455 C LYS A 89 8.760 48.018 18.192 1.00 0.00 C ATOM 1456 O LYS A 89 9.323 48.543 17.232 1.00 0.00 O ATOM 1457 CB LYS A 89 6.883 49.573 18.983 1.00 0.00 C ATOM 1458 CG LYS A 89 6.885 50.645 17.891 1.00 0.00 C ATOM 1459 CD LYS A 89 5.516 50.741 17.216 1.00 0.00 C ATOM 1460 CE LYS A 89 4.901 52.128 17.416 1.00 0.00 C ATOM 1461 NZ LYS A 89 3.972 52.122 18.567 1.00 0.00 N ATOM 0 H LYS A 89 6.254 47.458 20.089 1.00 0.00 H new ATOM 0 HA LYS A 89 6.785 48.156 17.427 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.897 49.521 19.444 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.588 49.847 19.768 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.150 51.610 18.324 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.646 50.410 17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.617 50.534 16.151 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.850 49.982 17.626 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.690 52.862 17.582 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.369 52.430 16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.078 52.577 18.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.787 51.141 18.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.398 52.644 19.359 1.00 0.00 H new ATOM 1474 N ASN A 90 9.368 47.269 19.100 1.00 0.00 N ATOM 1475 CA ASN A 90 10.795 47.007 19.020 1.00 0.00 C ATOM 1476 C ASN A 90 11.049 45.892 18.004 1.00 0.00 C ATOM 1477 O ASN A 90 11.640 46.129 16.952 1.00 0.00 O ATOM 1478 CB ASN A 90 11.347 46.550 20.372 1.00 0.00 C ATOM 1479 CG ASN A 90 12.874 46.455 20.337 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.451 45.513 19.820 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.492 47.480 20.915 1.00 0.00 N ATOM 0 H ASN A 90 8.899 46.835 19.895 1.00 0.00 H new ATOM 0 HA ASN A 90 11.291 47.930 18.721 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.040 47.250 21.149 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.925 45.579 20.632 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.511 47.510 20.944 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.947 48.236 21.329 1.00 0.00 H new