USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.595 X(o=-0.59,f=-0.36) USER MOD Single : A 23 HIS : no HD1:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 26 ASN :FLIP amide:sc= -2.82! C(o=-4!,f=-2.8!) USER MOD Single : A 29 GLN : amide:sc= -0.42 X(o=-0.42,f=0) 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) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-3.9!) 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= -4.04! USER MOD Single : A 61 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 65 TYR OH : rot -65:sc= -2.42! USER MOD Single : A 66 SER OG : rot 180:sc= -0.0452 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0488) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.76) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 11.121 38.187 37.396 1.00 0.00 N ATOM 313 CA THR A 21 11.876 39.395 37.114 1.00 0.00 C ATOM 314 C THR A 21 12.501 39.320 35.719 1.00 0.00 C ATOM 315 O THR A 21 12.398 40.266 34.939 1.00 0.00 O ATOM 316 CB THR A 21 12.906 39.581 38.231 1.00 0.00 C ATOM 317 OG1 THR A 21 12.274 40.479 39.140 1.00 0.00 O ATOM 318 CG2 THR A 21 14.149 40.338 37.761 1.00 0.00 C ATOM 0 HA THR A 21 11.228 40.271 37.100 1.00 0.00 H new ATOM 0 HB THR A 21 13.201 38.606 38.619 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.872 40.653 39.897 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.847 40.443 38.592 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.627 39.786 36.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.860 41.326 37.404 1.00 0.00 H new ATOM 326 N HIS A 22 13.132 38.188 35.449 1.00 0.00 N ATOM 327 CA HIS A 22 13.773 37.978 34.161 1.00 0.00 C ATOM 328 C HIS A 22 12.762 38.222 33.039 1.00 0.00 C ATOM 329 O HIS A 22 13.143 38.419 31.886 1.00 0.00 O ATOM 330 CB HIS A 22 14.411 36.589 34.092 1.00 0.00 C ATOM 331 CG HIS A 22 13.702 35.545 34.921 1.00 0.00 C ATOM 332 ND1 HIS A 22 12.611 34.833 34.455 1.00 0.00 N ATOM 333 CD2 HIS A 22 13.940 35.100 36.188 1.00 0.00 C ATOM 334 CE1 HIS A 22 12.216 34.000 35.408 1.00 0.00 C ATOM 335 NE2 HIS A 22 13.041 34.168 36.481 1.00 0.00 N ATOM 0 H HIS A 22 13.214 37.406 36.099 1.00 0.00 H new ATOM 0 HA HIS A 22 14.585 38.694 34.034 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.431 36.261 33.053 1.00 0.00 H new ATOM 0 HB3 HIS A 22 15.447 36.659 34.424 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.726 35.447 36.842 1.00 0.00 H new ATOM 0 HE1 HIS A 22 11.387 33.310 35.346 1.00 0.00 H new ATOM 0 HE2 HIS A 22 12.978 33.661 37.364 1.00 0.00 H new ATOM 343 N HIS A 23 11.492 38.201 33.416 1.00 0.00 N ATOM 344 CA HIS A 23 10.423 38.416 32.455 1.00 0.00 C ATOM 345 C HIS A 23 9.688 39.716 32.789 1.00 0.00 C ATOM 346 O HIS A 23 9.352 40.491 31.895 1.00 0.00 O ATOM 347 CB HIS A 23 9.489 37.205 32.399 1.00 0.00 C ATOM 348 CG HIS A 23 8.048 37.553 32.119 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.281 38.324 32.977 1.00 0.00 N ATOM 350 CD2 HIS A 23 7.240 37.229 31.068 1.00 0.00 C ATOM 351 CE1 HIS A 23 6.070 38.450 32.456 1.00 0.00 C ATOM 352 NE2 HIS A 23 6.046 37.771 31.274 1.00 0.00 N ATOM 0 H HIS A 23 11.179 38.039 34.373 1.00 0.00 H new ATOM 0 HA HIS A 23 10.844 38.522 31.455 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.843 36.521 31.628 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.545 36.672 33.348 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.524 36.633 30.213 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.246 38.995 32.891 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.243 37.692 30.650 1.00 0.00 H new ATOM 360 N TRP A 24 9.460 39.915 34.079 1.00 0.00 N ATOM 361 CA TRP A 24 8.771 41.107 34.542 1.00 0.00 C ATOM 362 C TRP A 24 9.642 42.318 34.202 1.00 0.00 C ATOM 363 O TRP A 24 9.137 43.339 33.736 1.00 0.00 O ATOM 364 CB TRP A 24 8.443 41.006 36.033 1.00 0.00 C ATOM 365 CG TRP A 24 7.840 42.282 36.625 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.304 43.018 37.645 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.636 42.947 36.189 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.489 44.103 37.897 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.443 44.058 36.983 1.00 0.00 C ATOM 370 CE3 TRP A 24 5.739 42.619 35.158 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.360 44.933 36.830 1.00 0.00 C ATOM 372 CZ3 TRP A 24 4.662 43.503 35.016 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.454 44.626 35.807 1.00 0.00 C ATOM 0 H TRP A 24 9.740 39.270 34.818 1.00 0.00 H new ATOM 0 HA TRP A 24 7.810 41.217 34.040 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.746 40.182 36.186 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.354 40.759 36.579 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.202 42.791 38.200 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.629 44.808 38.621 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.870 41.754 34.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.231 45.797 37.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.943 43.297 34.237 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.597 45.260 35.634 1.00 0.00 H new ATOM 384 N LEU A 25 10.934 42.165 34.448 1.00 0.00 N ATOM 385 CA LEU A 25 11.880 43.234 34.173 1.00 0.00 C ATOM 386 C LEU A 25 11.706 43.703 32.727 1.00 0.00 C ATOM 387 O LEU A 25 11.868 44.886 32.430 1.00 0.00 O ATOM 388 CB LEU A 25 13.304 42.789 34.508 1.00 0.00 C ATOM 389 CG LEU A 25 14.328 43.908 34.707 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.775 45.000 35.626 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.658 43.350 35.217 1.00 0.00 C ATOM 0 H LEU A 25 11.349 41.317 34.835 1.00 0.00 H new ATOM 0 HA LEU A 25 11.681 44.093 34.814 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.271 42.188 35.417 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.658 42.138 33.708 1.00 0.00 H new ATOM 0 HG LEU A 25 14.522 44.369 33.739 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.523 45.783 35.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.874 45.425 35.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.534 44.570 36.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.368 44.166 35.350 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.500 42.848 36.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.055 42.638 34.494 1.00 0.00 H new ATOM 403 N ASN A 26 11.379 42.752 31.865 1.00 0.00 N ATOM 404 CA ASN A 26 11.182 43.053 30.458 1.00 0.00 C ATOM 405 C ASN A 26 9.974 43.979 30.302 1.00 0.00 C ATOM 406 O ASN A 26 9.825 44.645 29.279 1.00 0.00 O ATOM 407 CB ASN A 26 10.908 41.779 29.655 1.00 0.00 C ATOM 408 CG ASN A 26 10.857 42.077 28.155 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.706 41.746 27.577 1.00 0.00 O flip ATOM 410 ND2 ASN A 26 11.799 42.573 27.562 1.00 0.00 N flip ATOM 0 H ASN A 26 11.245 41.772 32.114 1.00 0.00 H new ATOM 0 HA ASN A 26 12.090 43.527 30.085 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.686 41.043 29.857 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.963 41.340 29.975 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.655 42.803 28.067 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.731 42.758 26.561 1.00 0.00 H new ATOM 417 N PHE A 27 9.142 43.990 31.333 1.00 0.00 N ATOM 418 CA PHE A 27 7.952 44.824 31.325 1.00 0.00 C ATOM 419 C PHE A 27 8.146 46.066 32.196 1.00 0.00 C ATOM 420 O PHE A 27 7.718 47.160 31.829 1.00 0.00 O ATOM 421 CB PHE A 27 6.813 43.982 31.903 1.00 0.00 C ATOM 422 CG PHE A 27 5.445 44.277 31.284 1.00 0.00 C ATOM 423 CD1 PHE A 27 5.045 43.612 30.168 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.628 45.206 31.851 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.775 43.886 29.594 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.359 45.480 31.277 1.00 0.00 C ATOM 427 CZ PHE A 27 2.960 44.814 30.160 1.00 0.00 C ATOM 0 H PHE A 27 9.268 43.435 32.179 1.00 0.00 H new ATOM 0 HA PHE A 27 7.738 45.157 30.309 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.046 42.927 31.759 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.758 44.152 32.978 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.693 42.875 29.718 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.945 45.735 32.738 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.457 43.357 28.708 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.710 46.217 31.727 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.995 45.023 29.723 1.00 0.00 H new ATOM 437 N LEU A 28 8.792 45.857 33.334 1.00 0.00 N ATOM 438 CA LEU A 28 9.048 46.947 34.261 1.00 0.00 C ATOM 439 C LEU A 28 9.928 47.995 33.577 1.00 0.00 C ATOM 440 O LEU A 28 9.882 49.173 33.930 1.00 0.00 O ATOM 441 CB LEU A 28 9.633 46.411 35.568 1.00 0.00 C ATOM 442 CG LEU A 28 9.620 47.377 36.755 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.214 47.930 36.996 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.199 46.716 38.007 1.00 0.00 C ATOM 0 H LEU A 28 9.146 44.949 33.635 1.00 0.00 H new ATOM 0 HA LEU A 28 8.116 47.442 34.535 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.081 45.514 35.849 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.663 46.107 35.384 1.00 0.00 H new ATOM 0 HG LEU A 28 10.262 48.224 36.513 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.232 48.614 37.845 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.876 48.463 36.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.531 47.107 37.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.178 47.424 38.835 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.604 45.839 38.264 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.228 46.413 37.815 1.00 0.00 H new ATOM 456 N GLN A 29 10.707 47.530 32.612 1.00 0.00 N ATOM 457 CA GLN A 29 11.596 48.413 31.877 1.00 0.00 C ATOM 458 C GLN A 29 10.796 49.279 30.903 1.00 0.00 C ATOM 459 O GLN A 29 10.881 50.506 30.943 1.00 0.00 O ATOM 460 CB GLN A 29 12.676 47.617 31.142 1.00 0.00 C ATOM 461 CG GLN A 29 14.036 47.782 31.821 1.00 0.00 C ATOM 462 CD GLN A 29 15.144 47.116 31.002 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.617 47.641 30.007 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.529 45.933 31.473 1.00 0.00 N ATOM 0 H GLN A 29 10.741 46.553 32.322 1.00 0.00 H new ATOM 0 HA GLN A 29 12.096 49.068 32.590 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.403 46.562 31.119 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.739 47.953 30.107 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.258 48.842 31.945 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.004 47.344 32.819 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.091 45.551 32.311 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.262 45.408 30.996 1.00 0.00 H new ATOM 473 N ALA A 30 10.037 48.608 30.049 1.00 0.00 N ATOM 474 CA ALA A 30 9.222 49.301 29.066 1.00 0.00 C ATOM 475 C ALA A 30 8.305 50.296 29.780 1.00 0.00 C ATOM 476 O ALA A 30 8.112 51.416 29.310 1.00 0.00 O ATOM 477 CB ALA A 30 8.440 48.279 28.238 1.00 0.00 C ATOM 0 H ALA A 30 9.969 47.591 30.018 1.00 0.00 H new ATOM 0 HA ALA A 30 9.850 49.866 28.378 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.829 48.799 27.501 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.137 47.614 27.728 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.796 47.694 28.895 1.00 0.00 H new ATOM 483 N ALA A 31 7.763 49.851 30.904 1.00 0.00 N ATOM 484 CA ALA A 31 6.871 50.688 31.688 1.00 0.00 C ATOM 485 C ALA A 31 7.636 51.918 32.182 1.00 0.00 C ATOM 486 O ALA A 31 7.074 53.009 32.268 1.00 0.00 O ATOM 487 CB ALA A 31 6.280 49.869 32.837 1.00 0.00 C ATOM 0 H ALA A 31 7.925 48.921 31.291 1.00 0.00 H new ATOM 0 HA ALA A 31 6.039 51.040 31.077 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.611 50.497 33.425 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.723 49.024 32.433 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.085 49.501 33.473 1.00 0.00 H new ATOM 493 N TYR A 32 8.905 51.701 32.493 1.00 0.00 N ATOM 494 CA TYR A 32 9.752 52.779 32.976 1.00 0.00 C ATOM 495 C TYR A 32 10.175 53.700 31.829 1.00 0.00 C ATOM 496 O TYR A 32 10.579 54.838 32.060 1.00 0.00 O ATOM 497 CB TYR A 32 10.997 52.107 33.558 1.00 0.00 C ATOM 498 CG TYR A 32 11.298 52.503 35.006 1.00 0.00 C ATOM 499 CD1 TYR A 32 11.837 53.744 35.283 1.00 0.00 C ATOM 500 CD2 TYR A 32 11.031 51.622 36.033 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.119 54.117 36.645 1.00 0.00 C ATOM 502 CE2 TYR A 32 11.314 51.995 37.394 1.00 0.00 C ATOM 503 CZ TYR A 32 11.844 53.224 37.633 1.00 0.00 C ATOM 504 OH TYR A 32 12.112 53.577 38.919 1.00 0.00 O ATOM 0 H TYR A 32 9.368 50.795 32.420 1.00 0.00 H new ATOM 0 HA TYR A 32 9.221 53.385 33.710 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.871 51.025 33.506 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.857 52.358 32.937 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.047 54.434 34.479 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.609 50.652 35.816 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.540 55.084 36.877 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.110 51.314 38.207 1.00 0.00 H new ATOM 0 HH TYR A 32 11.864 52.842 39.518 1.00 0.00 H new ATOM 514 N ARG A 33 10.065 53.173 30.619 1.00 0.00 N ATOM 515 CA ARG A 33 10.430 53.934 29.436 1.00 0.00 C ATOM 516 C ARG A 33 9.252 54.793 28.973 1.00 0.00 C ATOM 517 O ARG A 33 9.387 55.591 28.046 1.00 0.00 O ATOM 518 CB ARG A 33 10.858 53.008 28.295 1.00 0.00 C ATOM 519 CG ARG A 33 12.222 53.418 27.736 1.00 0.00 C ATOM 520 CD ARG A 33 13.011 52.196 27.264 1.00 0.00 C ATOM 521 NE ARG A 33 12.625 51.849 25.878 1.00 0.00 N ATOM 522 CZ ARG A 33 13.202 52.374 24.778 1.00 0.00 C ATOM 523 NH1 ARG A 33 14.200 53.278 24.892 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.778 51.993 23.587 1.00 0.00 N ATOM 0 H ARG A 33 9.728 52.228 30.432 1.00 0.00 H new ATOM 0 HA ARG A 33 11.270 54.576 29.701 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.903 51.980 28.654 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.112 53.036 27.500 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.085 54.110 26.905 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.789 53.947 28.502 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.080 52.403 27.312 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.820 51.351 27.926 1.00 0.00 H new ATOM 0 HE ARG A 33 11.875 51.170 25.747 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.522 53.568 25.815 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.631 53.670 24.055 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.024 51.311 23.508 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.204 52.381 22.746 1.00 0.00 H new ATOM 537 N LEU A 34 8.123 54.600 29.637 1.00 0.00 N ATOM 538 CA LEU A 34 6.921 55.346 29.305 1.00 0.00 C ATOM 539 C LEU A 34 6.763 56.510 30.285 1.00 0.00 C ATOM 540 O LEU A 34 7.513 57.483 30.226 1.00 0.00 O ATOM 541 CB LEU A 34 5.708 54.416 29.255 1.00 0.00 C ATOM 542 CG LEU A 34 5.782 53.272 28.240 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.762 52.180 28.570 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.620 53.795 26.812 1.00 0.00 C ATOM 0 H LEU A 34 8.015 53.937 30.404 1.00 0.00 H new ATOM 0 HA LEU A 34 7.004 55.776 28.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.563 53.987 30.246 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.824 55.015 29.034 1.00 0.00 H new ATOM 0 HG LEU A 34 6.771 52.819 28.307 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.835 51.379 27.834 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.966 51.780 29.563 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.757 52.602 28.548 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.676 52.962 26.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.653 54.288 26.713 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.415 54.508 26.593 1.00 0.00 H new ATOM 665 N PHE A 43 0.681 50.037 38.021 1.00 0.00 N ATOM 666 CA PHE A 43 0.954 48.630 38.263 1.00 0.00 C ATOM 667 C PHE A 43 -0.340 47.862 38.539 1.00 0.00 C ATOM 668 O PHE A 43 -0.361 46.632 38.477 1.00 0.00 O ATOM 669 CB PHE A 43 1.851 48.555 39.499 1.00 0.00 C ATOM 670 CG PHE A 43 3.293 49.004 39.250 1.00 0.00 C ATOM 671 CD1 PHE A 43 3.965 48.556 38.157 1.00 0.00 C ATOM 672 CD2 PHE A 43 3.901 49.851 40.123 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.302 48.973 37.925 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.239 50.268 39.891 1.00 0.00 C ATOM 675 CZ PHE A 43 5.911 49.820 38.798 1.00 0.00 C ATOM 0 HA PHE A 43 1.430 48.186 37.388 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.420 49.173 40.286 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.859 47.529 39.868 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.482 47.883 37.465 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.367 50.206 40.992 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.835 48.618 37.056 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.722 50.941 40.583 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.929 50.136 38.623 1.00 0.00 H new ATOM 685 N GLN A 44 -1.387 48.615 38.838 1.00 0.00 N ATOM 686 CA GLN A 44 -2.681 48.021 39.123 1.00 0.00 C ATOM 687 C GLN A 44 -3.274 47.405 37.855 1.00 0.00 C ATOM 688 O GLN A 44 -3.648 46.232 37.846 1.00 0.00 O ATOM 689 CB GLN A 44 -3.637 49.050 39.731 1.00 0.00 C ATOM 690 CG GLN A 44 -4.965 48.400 40.125 1.00 0.00 C ATOM 691 CD GLN A 44 -6.150 49.223 39.615 1.00 0.00 C ATOM 692 OE1 GLN A 44 -6.762 48.916 38.605 1.00 0.00 O ATOM 693 NE2 GLN A 44 -6.439 50.280 40.368 1.00 0.00 N ATOM 0 H GLN A 44 -1.365 49.633 38.889 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.539 47.228 39.857 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.177 49.505 40.608 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.819 49.851 39.014 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.016 47.391 39.716 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.021 48.308 41.210 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.885 50.479 41.201 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.214 50.892 40.112 1.00 0.00 H new ATOM 702 N GLN A 45 -3.341 48.221 36.814 1.00 0.00 N ATOM 703 CA GLN A 45 -3.882 47.771 35.542 1.00 0.00 C ATOM 704 C GLN A 45 -3.005 46.663 34.956 1.00 0.00 C ATOM 705 O GLN A 45 -3.390 46.012 33.985 1.00 0.00 O ATOM 706 CB GLN A 45 -4.021 48.937 34.562 1.00 0.00 C ATOM 707 CG GLN A 45 -5.329 48.839 33.776 1.00 0.00 C ATOM 708 CD GLN A 45 -6.480 49.497 34.539 1.00 0.00 C ATOM 709 OE1 GLN A 45 -7.227 48.856 35.260 1.00 0.00 O ATOM 710 NE2 GLN A 45 -6.580 50.809 34.344 1.00 0.00 N ATOM 0 H GLN A 45 -3.029 49.192 36.825 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.879 47.366 35.716 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.990 49.880 35.107 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.177 48.939 33.872 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.210 49.320 32.805 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.566 47.792 33.587 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.921 51.285 33.727 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.315 51.339 34.811 1.00 0.00 H new ATOM 719 N LEU A 46 -1.845 46.483 35.569 1.00 0.00 N ATOM 720 CA LEU A 46 -0.911 45.465 35.119 1.00 0.00 C ATOM 721 C LEU A 46 -1.125 44.187 35.933 1.00 0.00 C ATOM 722 O LEU A 46 -1.369 43.122 35.369 1.00 0.00 O ATOM 723 CB LEU A 46 0.524 45.994 35.171 1.00 0.00 C ATOM 724 CG LEU A 46 1.236 46.134 33.823 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.489 47.001 33.954 1.00 0.00 C ATOM 726 CD2 LEU A 46 1.549 44.761 33.224 1.00 0.00 C ATOM 0 H LEU A 46 -1.530 47.025 36.374 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.096 45.213 34.075 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.513 46.970 35.657 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.113 45.329 35.803 1.00 0.00 H new ATOM 0 HG LEU A 46 0.564 46.642 33.131 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.977 47.085 32.983 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.209 47.994 34.307 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.175 46.543 34.666 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.055 44.888 32.267 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.195 44.206 33.904 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.621 44.210 33.074 1.00 0.00 H new ATOM 738 N ARG A 47 -1.026 44.337 37.246 1.00 0.00 N ATOM 739 CA ARG A 47 -1.206 43.208 38.143 1.00 0.00 C ATOM 740 C ARG A 47 -2.545 42.519 37.868 1.00 0.00 C ATOM 741 O ARG A 47 -2.733 41.356 38.221 1.00 0.00 O ATOM 742 CB ARG A 47 -1.162 43.654 39.605 1.00 0.00 C ATOM 743 CG ARG A 47 -0.605 42.544 40.501 1.00 0.00 C ATOM 744 CD ARG A 47 -1.684 42.007 41.442 1.00 0.00 C ATOM 745 NE ARG A 47 -1.665 40.527 41.442 1.00 0.00 N ATOM 746 CZ ARG A 47 -2.551 39.759 42.111 1.00 0.00 C ATOM 747 NH1 ARG A 47 -3.537 40.325 42.838 1.00 0.00 N ATOM 748 NH2 ARG A 47 -2.440 38.445 42.040 1.00 0.00 N ATOM 0 H ARG A 47 -0.824 45.223 37.710 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.390 42.509 37.963 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.543 44.546 39.698 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.164 43.925 39.936 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.219 41.733 39.884 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.233 42.928 41.083 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.516 42.381 42.452 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.664 42.366 41.128 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.937 40.058 40.903 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.617 41.341 42.885 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.202 39.737 43.340 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.693 38.025 41.486 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.101 37.850 42.539 1.00 0.00 H new ATOM 761 N ARG A 48 -3.440 43.266 37.239 1.00 0.00 N ATOM 762 CA ARG A 48 -4.755 42.742 36.912 1.00 0.00 C ATOM 763 C ARG A 48 -4.722 42.030 35.558 1.00 0.00 C ATOM 764 O ARG A 48 -5.636 41.277 35.226 1.00 0.00 O ATOM 765 CB ARG A 48 -5.798 43.862 36.866 1.00 0.00 C ATOM 766 CG ARG A 48 -5.712 44.639 35.550 1.00 0.00 C ATOM 767 CD ARG A 48 -6.744 45.768 35.513 1.00 0.00 C ATOM 768 NE ARG A 48 -8.110 45.204 35.462 1.00 0.00 N ATOM 769 CZ ARG A 48 -8.616 44.540 34.401 1.00 0.00 C ATOM 770 NH1 ARG A 48 -7.870 44.350 33.292 1.00 0.00 N ATOM 771 NH2 ARG A 48 -9.850 44.078 34.464 1.00 0.00 N ATOM 0 H ARG A 48 -3.280 44.230 36.947 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.033 42.033 37.692 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.796 43.439 36.978 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.644 44.542 37.704 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.710 45.053 35.432 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.878 43.962 34.712 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.635 46.400 36.394 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.571 46.402 34.643 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.708 45.324 36.280 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.916 44.709 33.251 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.260 43.847 32.495 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.407 44.225 35.306 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.247 43.574 33.671 1.00 0.00 H new ATOM 784 N PHE A 49 -3.659 42.295 34.813 1.00 0.00 N ATOM 785 CA PHE A 49 -3.494 41.689 33.502 1.00 0.00 C ATOM 786 C PHE A 49 -2.558 40.481 33.570 1.00 0.00 C ATOM 787 O PHE A 49 -2.742 39.506 32.844 1.00 0.00 O ATOM 788 CB PHE A 49 -2.873 42.751 32.593 1.00 0.00 C ATOM 789 CG PHE A 49 -2.287 42.193 31.294 1.00 0.00 C ATOM 790 CD1 PHE A 49 -3.018 41.338 30.531 1.00 0.00 C ATOM 791 CD2 PHE A 49 -1.035 42.552 30.904 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.475 40.820 29.326 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.491 42.034 29.699 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.223 41.178 28.935 1.00 0.00 C ATOM 0 H PHE A 49 -2.903 42.921 35.092 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.458 41.346 33.127 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.632 43.493 32.348 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.086 43.269 33.141 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.012 41.053 30.842 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.454 43.231 31.511 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.057 40.141 28.720 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.503 42.319 29.389 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.810 40.783 28.019 1.00 0.00 H new ATOM 804 N LEU A 50 -1.572 40.586 34.450 1.00 0.00 N ATOM 805 CA LEU A 50 -0.606 39.515 34.622 1.00 0.00 C ATOM 806 C LEU A 50 -1.293 38.314 35.275 1.00 0.00 C ATOM 807 O LEU A 50 -1.227 37.199 34.758 1.00 0.00 O ATOM 808 CB LEU A 50 0.618 40.016 35.391 1.00 0.00 C ATOM 809 CG LEU A 50 1.422 41.133 34.721 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.060 42.052 35.764 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.458 40.557 33.754 1.00 0.00 C ATOM 0 H LEU A 50 -1.422 41.396 35.051 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.231 39.181 33.654 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.289 40.369 36.368 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.284 39.171 35.565 1.00 0.00 H new ATOM 0 HG LEU A 50 0.736 41.743 34.133 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.625 42.836 35.261 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.280 42.503 36.377 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.730 41.472 36.399 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.016 41.371 33.291 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.145 39.911 34.300 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.952 39.978 32.981 1.00 0.00 H new ATOM 823 N LYS A 51 -1.937 38.581 36.401 1.00 0.00 N ATOM 824 CA LYS A 51 -2.636 37.537 37.130 1.00 0.00 C ATOM 825 C LYS A 51 -3.638 36.855 36.198 1.00 0.00 C ATOM 826 O LYS A 51 -3.975 35.687 36.389 1.00 0.00 O ATOM 827 CB LYS A 51 -3.267 38.103 38.404 1.00 0.00 C ATOM 828 CG LYS A 51 -4.635 38.721 38.111 1.00 0.00 C ATOM 829 CD LYS A 51 -5.172 39.469 39.333 1.00 0.00 C ATOM 830 CE LYS A 51 -5.980 38.534 40.235 1.00 0.00 C ATOM 831 NZ LYS A 51 -6.624 39.297 41.328 1.00 0.00 N ATOM 0 H LYS A 51 -1.989 39.506 36.827 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.936 36.770 37.463 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.373 37.310 39.144 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.609 38.857 38.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.555 39.406 37.267 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.337 37.939 37.822 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.342 39.896 39.896 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.799 40.300 39.009 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.739 38.018 39.647 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.327 37.769 40.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.168 38.648 41.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.894 39.769 41.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.263 40.011 40.923 1.00 0.00 H new ATOM 844 N LEU A 52 -4.090 37.612 35.208 1.00 0.00 N ATOM 845 CA LEU A 52 -5.047 37.095 34.246 1.00 0.00 C ATOM 846 C LEU A 52 -4.383 35.999 33.410 1.00 0.00 C ATOM 847 O LEU A 52 -4.915 34.897 33.290 1.00 0.00 O ATOM 848 CB LEU A 52 -5.636 38.234 33.411 1.00 0.00 C ATOM 849 CG LEU A 52 -6.404 37.816 32.155 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.167 39.002 31.560 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.472 37.165 31.133 1.00 0.00 C ATOM 0 H LEU A 52 -3.810 38.580 35.052 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.892 36.636 34.759 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.305 38.815 34.046 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.824 38.897 33.113 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.142 37.067 32.440 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.704 38.679 30.669 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.877 39.383 32.294 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.463 39.791 31.293 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.044 36.878 30.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.694 37.873 30.847 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.013 36.279 31.572 1.00 0.00 H new ATOM 863 N ALA A 53 -3.229 36.341 32.854 1.00 0.00 N ATOM 864 CA ALA A 53 -2.488 35.399 32.032 1.00 0.00 C ATOM 865 C ALA A 53 -2.104 34.184 32.879 1.00 0.00 C ATOM 866 O ALA A 53 -2.030 33.066 32.369 1.00 0.00 O ATOM 867 CB ALA A 53 -1.267 36.099 31.431 1.00 0.00 C ATOM 0 H ALA A 53 -2.790 37.256 32.957 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.102 35.044 31.204 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.710 35.394 30.814 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.594 36.938 30.817 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.626 36.464 32.233 1.00 0.00 H new ATOM 873 N LEU A 54 -1.869 34.442 34.157 1.00 0.00 N ATOM 874 CA LEU A 54 -1.495 33.382 35.078 1.00 0.00 C ATOM 875 C LEU A 54 -2.650 32.385 35.198 1.00 0.00 C ATOM 876 O LEU A 54 -2.482 31.299 35.749 1.00 0.00 O ATOM 877 CB LEU A 54 -1.049 33.971 36.418 1.00 0.00 C ATOM 878 CG LEU A 54 0.383 33.643 36.850 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.344 33.716 35.664 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.825 34.545 38.005 1.00 0.00 C ATOM 0 H LEU A 54 -1.930 35.370 34.577 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.636 32.830 34.696 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.154 35.055 36.369 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.731 33.619 37.192 1.00 0.00 H new ATOM 0 HG LEU A 54 0.404 32.617 37.216 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.354 33.479 35.999 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.037 33.000 34.902 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.328 34.722 35.244 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.845 34.293 38.294 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.785 35.587 37.689 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.160 34.398 38.856 1.00 0.00 H new ATOM 892 N LYS A 55 -3.797 32.792 34.674 1.00 0.00 N ATOM 893 CA LYS A 55 -4.979 31.947 34.715 1.00 0.00 C ATOM 894 C LYS A 55 -4.864 30.863 33.642 1.00 0.00 C ATOM 895 O LYS A 55 -5.728 29.994 33.538 1.00 0.00 O ATOM 896 CB LYS A 55 -6.247 32.796 34.599 1.00 0.00 C ATOM 897 CG LYS A 55 -6.815 32.742 33.179 1.00 0.00 C ATOM 898 CD LYS A 55 -8.181 33.426 33.109 1.00 0.00 C ATOM 899 CE LYS A 55 -8.035 34.948 33.130 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.111 35.563 33.938 1.00 0.00 N ATOM 0 H LYS A 55 -3.933 33.695 34.219 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.050 31.437 35.676 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.994 32.438 35.307 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.023 33.829 34.866 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.125 33.228 32.489 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.907 31.704 32.860 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.699 33.120 32.200 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.796 33.105 33.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.063 35.220 33.542 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.070 35.336 32.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.996 36.597 33.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.035 35.319 33.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.060 35.206 34.914 1.00 0.00 H new ATOM 913 N THR A 56 -3.791 30.950 32.871 1.00 0.00 N ATOM 914 CA THR A 56 -3.551 29.987 31.809 1.00 0.00 C ATOM 915 C THR A 56 -2.050 29.770 31.613 1.00 0.00 C ATOM 916 O THR A 56 -1.398 30.528 30.895 1.00 0.00 O ATOM 917 CB THR A 56 -4.263 30.486 30.550 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.123 29.411 29.624 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.528 31.650 29.884 1.00 0.00 C ATOM 0 H THR A 56 -3.077 31.673 32.960 1.00 0.00 H new ATOM 0 HA THR A 56 -3.957 29.008 32.064 1.00 0.00 H new ATOM 0 HB THR A 56 -5.277 30.796 30.804 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.688 29.578 28.841 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.075 31.965 28.996 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.458 32.484 30.583 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.526 31.332 29.598 1.00 0.00 H new ATOM 927 N PRO A 57 -1.530 28.707 32.282 1.00 0.00 N ATOM 928 CA PRO A 57 -0.116 28.382 32.189 1.00 0.00 C ATOM 929 C PRO A 57 0.210 27.737 30.840 1.00 0.00 C ATOM 930 O PRO A 57 0.568 26.562 30.780 1.00 0.00 O ATOM 931 CB PRO A 57 0.153 27.461 33.368 1.00 0.00 C ATOM 932 CG PRO A 57 -1.203 26.934 33.805 1.00 0.00 C ATOM 933 CD PRO A 57 -2.271 27.789 33.141 1.00 0.00 C ATOM 0 HA PRO A 57 0.523 29.264 32.235 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.815 26.644 33.082 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.643 27.999 34.180 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.317 25.889 33.517 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.298 26.978 34.890 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.964 27.178 32.563 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.862 28.329 33.881 1.00 0.00 H new ATOM 941 N ILE A 58 0.074 28.535 29.790 1.00 0.00 N ATOM 942 CA ILE A 58 0.350 28.057 28.447 1.00 0.00 C ATOM 943 C ILE A 58 1.463 28.904 27.827 1.00 0.00 C ATOM 944 O ILE A 58 2.140 28.464 26.898 1.00 0.00 O ATOM 945 CB ILE A 58 -0.935 28.026 27.615 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.666 28.469 26.176 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.036 28.857 28.275 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.250 27.476 25.458 1.00 0.00 C ATOM 0 H ILE A 58 -0.224 29.509 29.843 1.00 0.00 H new ATOM 0 HA ILE A 58 0.710 27.029 28.475 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.291 26.997 27.574 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.609 28.555 25.636 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.207 29.458 26.176 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.937 28.818 27.663 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.251 28.455 29.265 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.705 29.891 28.368 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.425 27.815 24.437 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.201 27.411 25.987 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.222 26.494 25.438 1.00 0.00 H new ATOM 960 N TRP A 59 1.618 30.104 28.365 1.00 0.00 N ATOM 961 CA TRP A 59 2.638 31.018 27.878 1.00 0.00 C ATOM 962 C TRP A 59 3.874 30.864 28.765 1.00 0.00 C ATOM 963 O TRP A 59 4.980 31.223 28.364 1.00 0.00 O ATOM 964 CB TRP A 59 2.111 32.453 27.830 1.00 0.00 C ATOM 965 CG TRP A 59 1.351 32.879 29.087 1.00 0.00 C ATOM 966 CD1 TRP A 59 0.083 32.596 29.420 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.863 33.682 30.171 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.257 33.155 30.636 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.860 33.836 31.107 1.00 0.00 C ATOM 970 CE3 TRP A 59 3.132 34.258 30.357 1.00 0.00 C ATOM 971 CZ2 TRP A 59 1.022 34.564 32.292 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.278 34.982 31.546 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.278 35.147 32.497 1.00 0.00 C ATOM 0 H TRP A 59 1.054 30.466 29.134 1.00 0.00 H new ATOM 0 HA TRP A 59 2.914 30.776 26.852 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.950 33.132 27.677 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.454 32.559 26.967 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.588 32.005 28.814 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.161 33.082 31.103 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.931 34.150 29.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.221 34.670 33.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.235 35.445 31.738 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.469 35.723 33.391 1.00 0.00 H new ATOM 984 N LEU A 60 3.646 30.329 29.956 1.00 0.00 N ATOM 985 CA LEU A 60 4.728 30.124 30.904 1.00 0.00 C ATOM 986 C LEU A 60 5.592 28.949 30.438 1.00 0.00 C ATOM 987 O LEU A 60 6.815 29.063 30.371 1.00 0.00 O ATOM 988 CB LEU A 60 4.175 29.956 32.321 1.00 0.00 C ATOM 989 CG LEU A 60 4.629 30.998 33.346 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.704 32.390 32.716 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.730 30.976 34.583 1.00 0.00 C ATOM 0 H LEU A 60 2.728 30.031 30.286 1.00 0.00 H new ATOM 0 HA LEU A 60 5.374 31.001 30.941 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.086 29.976 32.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.459 28.969 32.686 1.00 0.00 H new ATOM 0 HG LEU A 60 5.636 30.739 33.675 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.029 33.112 33.466 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.416 32.378 31.891 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.720 32.674 32.342 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.074 31.725 35.296 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.703 31.197 34.291 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.771 29.990 35.045 1.00 0.00 H new ATOM 1003 N ASN A 61 4.922 27.849 30.130 1.00 0.00 N ATOM 1004 CA ASN A 61 5.613 26.655 29.673 1.00 0.00 C ATOM 1005 C ASN A 61 6.598 27.034 28.566 1.00 0.00 C ATOM 1006 O ASN A 61 7.800 26.803 28.694 1.00 0.00 O ATOM 1007 CB ASN A 61 4.628 25.634 29.100 1.00 0.00 C ATOM 1008 CG ASN A 61 4.645 24.339 29.914 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.345 24.315 31.097 1.00 0.00 O ATOM 1010 ND2 ASN A 61 5.012 23.267 29.218 1.00 0.00 N ATOM 0 H ASN A 61 3.908 27.759 30.188 1.00 0.00 H new ATOM 0 HA ASN A 61 6.131 26.217 30.527 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.622 26.054 29.100 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.884 25.419 28.063 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.055 22.355 29.672 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.250 23.357 28.230 1.00 0.00 H new ATOM 1017 N PRO A 62 6.040 27.626 27.477 1.00 0.00 N ATOM 1018 CA PRO A 62 6.857 28.039 26.348 1.00 0.00 C ATOM 1019 C PRO A 62 7.644 29.309 26.676 1.00 0.00 C ATOM 1020 O PRO A 62 8.426 29.788 25.857 1.00 0.00 O ATOM 1021 CB PRO A 62 5.877 28.228 25.201 1.00 0.00 C ATOM 1022 CG PRO A 62 4.505 28.366 25.843 1.00 0.00 C ATOM 1023 CD PRO A 62 4.621 27.916 27.291 1.00 0.00 C ATOM 0 HA PRO A 62 7.617 27.303 26.088 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.126 29.114 24.617 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.905 27.378 24.519 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.161 29.399 25.791 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.772 27.759 25.312 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.283 28.694 27.976 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.008 27.035 27.482 1.00 0.00 H new ATOM 1031 N ILE A 63 7.409 29.818 27.877 1.00 0.00 N ATOM 1032 CA ILE A 63 8.087 31.024 28.325 1.00 0.00 C ATOM 1033 C ILE A 63 8.276 31.967 27.136 1.00 0.00 C ATOM 1034 O ILE A 63 9.296 31.912 26.451 1.00 0.00 O ATOM 1035 CB ILE A 63 9.391 30.669 29.043 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.987 31.898 29.733 1.00 0.00 C ATOM 1037 CG2 ILE A 63 10.384 30.011 28.084 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.902 32.710 30.443 1.00 0.00 C ATOM 0 H ILE A 63 6.759 29.418 28.554 1.00 0.00 H new ATOM 0 HA ILE A 63 7.480 31.554 29.059 1.00 0.00 H new ATOM 0 HB ILE A 63 9.166 29.940 29.821 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.741 31.584 30.454 1.00 0.00 H new ATOM 0 HG13 ILE A 63 10.491 32.524 28.997 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.302 29.769 28.620 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.948 29.097 27.680 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.611 30.697 27.268 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.353 33.577 30.925 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.162 33.043 29.715 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.416 32.089 31.196 1.00 0.00 H new ATOM 1050 N ASP A 64 7.278 32.813 26.928 1.00 0.00 N ATOM 1051 CA ASP A 64 7.322 33.768 25.833 1.00 0.00 C ATOM 1052 C ASP A 64 6.160 34.754 25.976 1.00 0.00 C ATOM 1053 O ASP A 64 5.001 34.380 25.807 1.00 0.00 O ATOM 1054 CB ASP A 64 7.181 33.065 24.482 1.00 0.00 C ATOM 1055 CG ASP A 64 6.287 31.824 24.488 1.00 0.00 C ATOM 1056 OD1 ASP A 64 5.599 31.537 25.480 1.00 0.00 O ATOM 1057 OD2 ASP A 64 6.314 31.126 23.404 1.00 0.00 O ATOM 0 H ASP A 64 6.434 32.857 27.499 1.00 0.00 H new ATOM 0 HA ASP A 64 8.282 34.283 25.873 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.783 33.777 23.759 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.173 32.778 24.134 1.00 0.00 H new ATOM 1063 N TYR A 65 6.512 35.993 26.284 1.00 0.00 N ATOM 1064 CA TYR A 65 5.514 37.035 26.451 1.00 0.00 C ATOM 1065 C TYR A 65 4.758 37.285 25.145 1.00 0.00 C ATOM 1066 O TYR A 65 3.748 37.987 25.132 1.00 0.00 O ATOM 1067 CB TYR A 65 6.284 38.301 26.830 1.00 0.00 C ATOM 1068 CG TYR A 65 5.562 39.189 27.845 1.00 0.00 C ATOM 1069 CD1 TYR A 65 4.381 39.813 27.498 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.091 39.367 29.108 1.00 0.00 C ATOM 1071 CE1 TYR A 65 3.701 40.649 28.453 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.410 40.202 30.063 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.249 40.803 29.689 1.00 0.00 C ATOM 1074 OH TYR A 65 3.607 41.592 30.591 1.00 0.00 O ATOM 0 H TYR A 65 7.475 36.299 26.422 1.00 0.00 H new ATOM 0 HA TYR A 65 4.784 36.748 27.207 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.254 38.016 27.238 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.476 38.881 25.927 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.967 39.674 26.510 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.016 38.880 29.380 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.776 41.143 28.194 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.812 40.348 31.055 1.00 0.00 H new ATOM 0 HH TYR A 65 3.608 42.519 30.274 1.00 0.00 H new ATOM 1084 N SER A 66 5.276 36.695 24.077 1.00 0.00 N ATOM 1085 CA SER A 66 4.663 36.846 22.768 1.00 0.00 C ATOM 1086 C SER A 66 3.216 36.349 22.808 1.00 0.00 C ATOM 1087 O SER A 66 2.406 36.718 21.959 1.00 0.00 O ATOM 1088 CB SER A 66 5.454 36.088 21.700 1.00 0.00 C ATOM 1089 OG SER A 66 5.391 34.677 21.888 1.00 0.00 O ATOM 0 H SER A 66 6.113 36.112 24.092 1.00 0.00 H new ATOM 0 HA SER A 66 4.671 37.904 22.506 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.064 36.340 20.714 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.495 36.410 21.723 1.00 0.00 H new ATOM 0 HG SER A 66 5.907 34.230 21.185 1.00 0.00 H new ATOM 1095 N LEU A 67 2.936 35.522 23.804 1.00 0.00 N ATOM 1096 CA LEU A 67 1.601 34.971 23.966 1.00 0.00 C ATOM 1097 C LEU A 67 0.802 35.855 24.926 1.00 0.00 C ATOM 1098 O LEU A 67 -0.425 35.788 24.962 1.00 0.00 O ATOM 1099 CB LEU A 67 1.674 33.505 24.396 1.00 0.00 C ATOM 1100 CG LEU A 67 0.334 32.779 24.534 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.539 31.265 24.622 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.464 33.319 25.721 1.00 0.00 C ATOM 0 H LEU A 67 3.610 35.220 24.507 1.00 0.00 H new ATOM 0 HA LEU A 67 1.070 34.973 23.014 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.285 32.965 23.673 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.193 33.453 25.353 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.254 32.974 23.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.428 30.772 24.720 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.037 30.912 23.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.155 31.031 25.490 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.411 32.785 25.795 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.107 33.175 26.639 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.657 34.382 25.576 1.00 0.00 H new ATOM 1114 N LEU A 68 1.532 36.664 25.680 1.00 0.00 N ATOM 1115 CA LEU A 68 0.908 37.561 26.637 1.00 0.00 C ATOM 1116 C LEU A 68 0.115 38.632 25.885 1.00 0.00 C ATOM 1117 O LEU A 68 -1.102 38.732 26.040 1.00 0.00 O ATOM 1118 CB LEU A 68 1.953 38.131 27.598 1.00 0.00 C ATOM 1119 CG LEU A 68 1.982 37.518 28.999 1.00 0.00 C ATOM 1120 CD1 LEU A 68 2.860 38.344 29.941 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.565 37.338 29.548 1.00 0.00 C ATOM 0 H LEU A 68 2.550 36.717 25.647 1.00 0.00 H new ATOM 0 HA LEU A 68 0.198 37.018 27.261 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.938 38.006 27.148 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.781 39.203 27.696 1.00 0.00 H new ATOM 0 HG LEU A 68 2.429 36.526 28.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.863 37.886 30.930 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.878 38.378 29.553 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.465 39.357 30.011 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.614 36.900 30.545 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.069 38.307 29.601 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.001 36.678 28.889 1.00 0.00 H new ATOM 1133 N ALA A 69 0.835 39.406 25.087 1.00 0.00 N ATOM 1134 CA ALA A 69 0.214 40.465 24.310 1.00 0.00 C ATOM 1135 C ALA A 69 -1.007 39.905 23.578 1.00 0.00 C ATOM 1136 O ALA A 69 -1.915 40.652 23.217 1.00 0.00 O ATOM 1137 CB ALA A 69 1.244 41.066 23.351 1.00 0.00 C ATOM 0 H ALA A 69 1.844 39.321 24.962 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.132 41.267 24.962 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.778 41.860 22.768 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.077 41.476 23.922 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.611 40.290 22.679 1.00 0.00 H new ATOM 1143 N SER A 70 -0.990 38.595 23.380 1.00 0.00 N ATOM 1144 CA SER A 70 -2.084 37.927 22.697 1.00 0.00 C ATOM 1145 C SER A 70 -3.263 37.742 23.654 1.00 0.00 C ATOM 1146 O SER A 70 -4.418 37.903 23.262 1.00 0.00 O ATOM 1147 CB SER A 70 -1.640 36.576 22.134 1.00 0.00 C ATOM 1148 OG SER A 70 -2.687 35.923 21.421 1.00 0.00 O ATOM 0 H SER A 70 -0.235 37.978 23.681 1.00 0.00 H new ATOM 0 HA SER A 70 -2.397 38.552 21.861 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.787 36.722 21.471 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.304 35.936 22.950 1.00 0.00 H new ATOM 0 HG SER A 70 -2.362 35.065 21.076 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.932 37.407 24.892 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.948 37.198 25.909 1.00 0.00 C ATOM 1156 C LEU A 71 -4.819 38.451 26.018 1.00 0.00 C ATOM 1157 O LEU A 71 -6.043 38.356 26.102 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.305 36.779 27.232 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.608 35.356 27.704 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.356 34.478 27.643 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.235 35.363 29.100 1.00 0.00 C ATOM 0 H LEU A 71 -1.973 37.275 25.214 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.605 36.375 25.627 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.224 36.887 27.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.629 37.474 28.007 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.340 34.920 27.024 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.600 33.472 27.984 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.992 34.435 26.617 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.583 34.901 28.285 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.441 34.339 29.412 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.546 35.826 29.806 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.166 35.929 29.078 1.00 0.00 H new ATOM 1173 N ILE A 72 -4.154 39.597 26.013 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.852 40.868 26.110 1.00 0.00 C ATOM 1175 C ILE A 72 -6.159 40.789 25.321 1.00 0.00 C ATOM 1176 O ILE A 72 -6.165 40.957 24.102 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.938 42.015 25.674 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.892 42.321 26.747 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -4.755 43.253 25.300 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -2.261 43.697 26.522 1.00 0.00 C ATOM 0 H ILE A 72 -3.139 39.672 25.943 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.118 41.079 27.146 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.399 41.702 24.780 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.356 42.287 27.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.117 41.555 26.733 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.082 44.054 24.994 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.428 43.010 24.478 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.338 43.578 26.162 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.521 43.889 27.299 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.777 43.720 25.546 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.035 44.463 26.561 1.00 0.00 H new ATOM 1192 N PRO A 73 -7.266 40.526 26.065 1.00 0.00 N ATOM 1193 CA PRO A 73 -8.577 40.421 25.448 1.00 0.00 C ATOM 1194 C PRO A 73 -9.117 41.803 25.072 1.00 0.00 C ATOM 1195 O PRO A 73 -9.468 42.595 25.944 1.00 0.00 O ATOM 1196 CB PRO A 73 -9.440 39.706 26.475 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.715 39.849 27.802 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.299 40.321 27.511 1.00 0.00 C ATOM 0 HA PRO A 73 -8.557 39.867 24.510 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.435 40.148 26.524 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.570 38.656 26.212 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.231 40.563 28.444 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.699 38.897 28.333 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.071 41.242 28.047 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.563 39.580 27.823 1.00 0.00 H new ATOM 1206 N LYS A 74 -9.165 42.050 23.771 1.00 0.00 N ATOM 1207 CA LYS A 74 -9.656 43.322 23.268 1.00 0.00 C ATOM 1208 C LYS A 74 -8.662 44.427 23.633 1.00 0.00 C ATOM 1209 O LYS A 74 -8.403 44.671 24.810 1.00 0.00 O ATOM 1210 CB LYS A 74 -11.077 43.584 23.769 1.00 0.00 C ATOM 1211 CG LYS A 74 -12.041 42.502 23.276 1.00 0.00 C ATOM 1212 CD LYS A 74 -12.699 42.915 21.958 1.00 0.00 C ATOM 1213 CE LYS A 74 -13.758 43.995 22.189 1.00 0.00 C ATOM 1214 NZ LYS A 74 -14.990 43.401 22.754 1.00 0.00 N ATOM 0 H LYS A 74 -8.872 41.391 23.050 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.725 43.300 22.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.083 43.612 24.859 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.414 44.561 23.423 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.502 41.564 23.140 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.808 42.322 24.029 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.940 43.286 21.269 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.158 42.045 21.488 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.369 44.754 22.867 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.987 44.495 21.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.747 44.114 22.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.284 42.591 22.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.806 43.080 23.726 1.00 0.00 H new ATOM 1227 N GLY A 75 -8.132 45.066 22.600 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.173 46.139 22.796 1.00 0.00 C ATOM 1229 C GLY A 75 -7.484 46.928 24.070 1.00 0.00 C ATOM 1230 O GLY A 75 -8.550 47.533 24.184 1.00 0.00 O ATOM 0 H GLY A 75 -8.349 44.861 21.625 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.167 45.725 22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.191 46.809 21.936 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.538 46.895 24.995 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.698 47.600 26.257 1.00 0.00 C ATOM 1236 C TYR A 76 -6.150 49.025 26.162 1.00 0.00 C ATOM 1237 O TYR A 76 -5.500 49.380 25.180 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.878 46.817 27.284 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.685 45.772 28.058 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.980 46.048 28.448 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.116 44.553 28.368 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.738 45.065 29.176 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.875 43.569 29.096 1.00 0.00 C ATOM 1244 CZ TYR A 76 -8.148 43.874 29.464 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.865 42.945 30.152 1.00 0.00 O ATOM 0 H TYR A 76 -5.657 46.391 24.897 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.752 47.668 26.528 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.054 46.319 26.773 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.437 47.518 27.992 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.425 47.002 28.207 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.102 44.337 28.065 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.752 45.268 29.487 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.443 42.611 29.344 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.318 42.143 30.286 1.00 0.00 H new ATOM 1255 N PRO A 77 -6.441 49.824 27.224 1.00 0.00 N ATOM 1256 CA PRO A 77 -5.985 51.202 27.270 1.00 0.00 C ATOM 1257 C PRO A 77 -4.488 51.274 27.581 1.00 0.00 C ATOM 1258 O PRO A 77 -3.868 50.262 27.906 1.00 0.00 O ATOM 1259 CB PRO A 77 -6.844 51.866 28.333 1.00 0.00 C ATOM 1260 CG PRO A 77 -7.426 50.736 29.165 1.00 0.00 C ATOM 1261 CD PRO A 77 -7.208 49.437 28.404 1.00 0.00 C ATOM 0 HA PRO A 77 -6.093 51.713 26.313 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.250 52.540 28.951 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.634 52.464 27.879 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.943 50.692 30.141 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.489 50.901 29.343 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.665 48.710 29.008 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.156 48.976 28.127 1.00 0.00 H new ATOM 1269 N GLY A 78 -3.950 52.480 27.470 1.00 0.00 N ATOM 1270 CA GLY A 78 -2.539 52.697 27.735 1.00 0.00 C ATOM 1271 C GLY A 78 -2.163 52.208 29.135 1.00 0.00 C ATOM 1272 O GLY A 78 -3.033 51.838 29.923 1.00 0.00 O ATOM 0 H GLY A 78 -4.467 53.317 27.200 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.941 52.173 26.990 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.307 53.758 27.642 1.00 0.00 H new ATOM 1276 N ARG A 79 -0.864 52.222 29.404 1.00 0.00 N ATOM 1277 CA ARG A 79 -0.362 51.786 30.695 1.00 0.00 C ATOM 1278 C ARG A 79 -0.276 50.258 30.741 1.00 0.00 C ATOM 1279 O ARG A 79 0.109 49.686 31.760 1.00 0.00 O ATOM 1280 CB ARG A 79 -1.265 52.272 31.831 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.658 53.737 31.629 1.00 0.00 C ATOM 1282 CD ARG A 79 -3.130 53.963 31.977 1.00 0.00 C ATOM 1283 NE ARG A 79 -3.543 55.325 31.571 1.00 0.00 N ATOM 1284 CZ ARG A 79 -4.015 55.639 30.346 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -4.139 54.690 29.395 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -4.355 56.889 30.092 1.00 0.00 N ATOM 0 H ARG A 79 -0.145 52.529 28.749 1.00 0.00 H new ATOM 0 HA ARG A 79 0.631 52.215 30.827 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.162 51.654 31.878 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -0.749 52.158 32.785 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.031 54.375 32.253 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.477 54.026 30.594 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.749 53.221 31.473 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.283 53.832 33.048 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.466 56.073 32.260 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.875 53.726 29.599 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.497 54.937 28.472 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.259 57.601 30.816 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.713 57.143 29.171 1.00 0.00 H new ATOM 1299 N VAL A 80 -0.638 49.643 29.625 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.605 48.193 29.525 1.00 0.00 C ATOM 1301 C VAL A 80 -0.006 47.793 28.176 1.00 0.00 C ATOM 1302 O VAL A 80 1.185 47.499 28.084 1.00 0.00 O ATOM 1303 CB VAL A 80 -2.006 47.621 29.751 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -2.086 46.167 29.285 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -2.421 47.751 31.218 1.00 0.00 C ATOM 0 H VAL A 80 -0.956 50.122 28.782 1.00 0.00 H new ATOM 0 HA VAL A 80 0.033 47.771 30.302 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.706 48.203 29.152 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.092 45.785 29.457 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.854 46.113 28.221 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.369 45.566 29.844 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.420 47.337 31.351 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.716 47.206 31.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.423 48.803 31.504 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.859 47.794 27.162 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.429 47.435 25.822 1.00 0.00 C ATOM 1317 C VAL A 81 0.708 48.363 25.389 1.00 0.00 C ATOM 1318 O VAL A 81 1.662 47.925 24.748 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.623 47.463 24.863 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.282 46.771 23.543 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.859 46.835 25.510 1.00 0.00 C ATOM 0 H VAL A 81 -1.846 48.038 27.242 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.041 46.417 25.806 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.853 48.506 24.643 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.147 46.805 22.880 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.443 47.282 23.071 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.013 45.732 23.736 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.693 46.867 24.809 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.645 45.799 25.773 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.121 47.391 26.410 1.00 0.00 H new ATOM 1331 N GLU A 82 0.568 49.627 25.756 1.00 0.00 N ATOM 1332 CA GLU A 82 1.571 50.622 25.415 1.00 0.00 C ATOM 1333 C GLU A 82 2.942 50.196 25.942 1.00 0.00 C ATOM 1334 O GLU A 82 3.971 50.654 25.448 1.00 0.00 O ATOM 1335 CB GLU A 82 1.182 52.000 25.950 1.00 0.00 C ATOM 1336 CG GLU A 82 1.764 53.113 25.076 1.00 0.00 C ATOM 1337 CD GLU A 82 2.446 54.183 25.932 1.00 0.00 C ATOM 1338 OE1 GLU A 82 2.123 54.324 27.121 1.00 0.00 O ATOM 1339 OE2 GLU A 82 3.342 54.881 25.321 1.00 0.00 O ATOM 0 H GLU A 82 -0.225 49.986 26.287 1.00 0.00 H new ATOM 0 HA GLU A 82 1.627 50.694 24.329 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.096 52.088 25.982 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.541 52.111 26.973 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.483 52.691 24.374 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.970 53.568 24.484 1.00 0.00 H new ATOM 1347 N ILE A 83 2.912 49.323 26.939 1.00 0.00 N ATOM 1348 CA ILE A 83 4.140 48.830 27.538 1.00 0.00 C ATOM 1349 C ILE A 83 4.606 47.582 26.784 1.00 0.00 C ATOM 1350 O ILE A 83 5.804 47.379 26.594 1.00 0.00 O ATOM 1351 CB ILE A 83 3.950 48.605 29.040 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.514 49.896 29.737 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.212 48.011 29.669 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.527 49.601 30.867 1.00 0.00 C ATOM 0 H ILE A 83 2.057 48.945 27.346 1.00 0.00 H new ATOM 0 HA ILE A 83 4.933 49.572 27.447 1.00 0.00 H new ATOM 0 HB ILE A 83 3.149 47.879 29.178 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.388 50.411 30.137 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.053 50.567 29.012 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.050 47.861 30.736 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.437 47.054 29.198 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.048 48.694 29.521 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.233 50.535 31.346 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.644 49.108 30.460 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.000 48.949 31.602 1.00 0.00 H new ATOM 1366 N ILE A 84 3.634 46.781 26.375 1.00 0.00 N ATOM 1367 CA ILE A 84 3.930 45.559 25.645 1.00 0.00 C ATOM 1368 C ILE A 84 4.312 45.910 24.205 1.00 0.00 C ATOM 1369 O ILE A 84 5.147 45.240 23.600 1.00 0.00 O ATOM 1370 CB ILE A 84 2.762 44.577 25.749 1.00 0.00 C ATOM 1371 CG1 ILE A 84 1.984 44.786 27.050 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.245 43.133 25.595 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.128 43.562 27.380 1.00 0.00 C ATOM 0 H ILE A 84 2.641 46.953 26.535 1.00 0.00 H new ATOM 0 HA ILE A 84 4.786 45.049 26.087 1.00 0.00 H new ATOM 0 HB ILE A 84 2.074 44.776 24.927 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.680 44.979 27.867 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.347 45.666 26.960 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.395 42.455 25.673 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.719 43.010 24.621 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.965 42.904 26.381 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.586 43.737 28.309 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.417 43.387 26.572 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.770 42.689 27.494 1.00 0.00 H new ATOM 1385 N ASN A 85 3.682 46.960 23.698 1.00 0.00 N ATOM 1386 CA ASN A 85 3.946 47.407 22.342 1.00 0.00 C ATOM 1387 C ASN A 85 5.446 47.656 22.174 1.00 0.00 C ATOM 1388 O ASN A 85 6.009 47.381 21.115 1.00 0.00 O ATOM 1389 CB ASN A 85 3.213 48.716 22.042 1.00 0.00 C ATOM 1390 CG ASN A 85 1.992 48.470 21.153 1.00 0.00 C ATOM 1391 OD1 ASN A 85 0.854 48.665 21.549 1.00 0.00 O ATOM 1392 ND2 ASN A 85 2.290 48.032 19.934 1.00 0.00 N ATOM 0 H ASN A 85 2.990 47.514 24.203 1.00 0.00 H new ATOM 0 HA ASN A 85 3.598 46.633 21.658 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.899 49.183 22.975 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.892 49.412 21.549 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.545 47.838 19.265 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.264 47.890 19.667 1.00 0.00 H new ATOM 1399 N ILE A 86 6.050 48.173 23.233 1.00 0.00 N ATOM 1400 CA ILE A 86 7.474 48.461 23.216 1.00 0.00 C ATOM 1401 C ILE A 86 8.253 47.154 23.059 1.00 0.00 C ATOM 1402 O ILE A 86 9.175 47.071 22.249 1.00 0.00 O ATOM 1403 CB ILE A 86 7.872 49.269 24.453 1.00 0.00 C ATOM 1404 CG1 ILE A 86 7.444 50.732 24.314 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.369 49.135 24.738 1.00 0.00 C ATOM 1406 CD1 ILE A 86 7.143 51.347 25.683 1.00 0.00 C ATOM 0 H ILE A 86 5.579 48.400 24.109 1.00 0.00 H new ATOM 0 HA ILE A 86 7.725 49.087 22.360 1.00 0.00 H new ATOM 0 HB ILE A 86 7.343 48.859 25.313 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.233 51.300 23.821 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.560 50.798 23.679 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.625 49.719 25.622 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.614 48.087 24.912 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.936 49.503 23.883 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.841 52.387 25.556 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.337 50.791 26.162 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.036 51.302 26.306 1.00 0.00 H new ATOM 1418 N LEU A 87 7.854 46.166 23.845 1.00 0.00 N ATOM 1419 CA LEU A 87 8.504 44.867 23.803 1.00 0.00 C ATOM 1420 C LEU A 87 8.310 44.250 22.416 1.00 0.00 C ATOM 1421 O LEU A 87 9.242 43.680 21.852 1.00 0.00 O ATOM 1422 CB LEU A 87 8.004 43.981 24.946 1.00 0.00 C ATOM 1423 CG LEU A 87 7.973 44.628 26.332 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.346 43.686 27.362 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.369 45.089 26.753 1.00 0.00 C ATOM 0 H LEU A 87 7.088 46.238 24.515 1.00 0.00 H new ATOM 0 HA LEU A 87 9.578 44.972 23.958 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.997 43.642 24.703 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.636 43.094 24.995 1.00 0.00 H new ATOM 0 HG LEU A 87 7.343 45.516 26.281 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.336 44.170 28.339 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.325 43.449 27.064 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.930 42.767 27.418 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.319 45.545 27.742 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.042 44.232 26.783 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.743 45.819 26.035 1.00 0.00 H new ATOM 1437 N VAL A 88 7.094 44.384 21.908 1.00 0.00 N ATOM 1438 CA VAL A 88 6.766 43.847 20.598 1.00 0.00 C ATOM 1439 C VAL A 88 7.576 44.587 19.532 1.00 0.00 C ATOM 1440 O VAL A 88 8.246 43.961 18.712 1.00 0.00 O ATOM 1441 CB VAL A 88 5.257 43.923 20.365 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.922 43.748 18.882 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.515 42.894 21.220 1.00 0.00 C ATOM 0 H VAL A 88 6.323 44.857 22.380 1.00 0.00 H new ATOM 0 HA VAL A 88 7.037 42.793 20.537 1.00 0.00 H new ATOM 0 HB VAL A 88 4.922 44.914 20.670 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.842 43.806 18.744 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.405 44.536 18.304 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.280 42.777 18.540 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.444 42.971 21.034 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.857 41.892 20.962 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.715 43.085 22.274 1.00 0.00 H new ATOM 1453 N LYS A 89 7.485 45.907 19.577 1.00 0.00 N ATOM 1454 CA LYS A 89 8.201 46.739 18.624 1.00 0.00 C ATOM 1455 C LYS A 89 9.703 46.632 18.888 1.00 0.00 C ATOM 1456 O LYS A 89 10.512 47.119 18.100 1.00 0.00 O ATOM 1457 CB LYS A 89 7.670 48.173 18.661 1.00 0.00 C ATOM 1458 CG LYS A 89 7.361 48.681 17.250 1.00 0.00 C ATOM 1459 CD LYS A 89 8.616 49.250 16.585 1.00 0.00 C ATOM 1460 CE LYS A 89 8.789 50.733 16.919 1.00 0.00 C ATOM 1461 NZ LYS A 89 9.747 51.367 15.986 1.00 0.00 N ATOM 0 H LYS A 89 6.927 46.422 20.258 1.00 0.00 H new ATOM 0 HA LYS A 89 8.031 46.387 17.607 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.768 48.215 19.272 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.405 48.825 19.133 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.962 47.866 16.645 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.590 49.450 17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.492 48.694 16.918 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.549 49.122 15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.826 51.240 16.860 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.144 50.842 17.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.852 52.373 16.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.670 50.894 16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.393 51.280 15.012 1.00 0.00 H new ATOM 1474 N ASN A 90 10.032 45.993 20.001 1.00 0.00 N ATOM 1475 CA ASN A 90 11.425 45.816 20.379 1.00 0.00 C ATOM 1476 C ASN A 90 12.162 45.077 19.261 1.00 0.00 C ATOM 1477 O ASN A 90 13.290 45.429 18.918 1.00 0.00 O ATOM 1478 CB ASN A 90 11.547 44.983 21.657 1.00 0.00 C ATOM 1479 CG ASN A 90 12.926 45.158 22.295 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.891 44.502 21.940 1.00 0.00 O ATOM 1481 ND2 ASN A 90 12.964 46.078 23.256 1.00 0.00 N ATOM 0 H ASN A 90 9.359 45.591 20.653 1.00 0.00 H new ATOM 0 HA ASN A 90 11.857 46.802 20.549 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.774 45.281 22.365 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.379 43.931 21.427 1.00 0.00 H new ATOM 0 HD21 ASN A 90 13.839 46.269 23.744 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.118 46.592 23.504 1.00 0.00 H new