USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.42) USER MOD Single : A 26 ASN : amide:sc= -3.77! C(o=-3.8!,f=-4!) USER MOD Single : A 29 GLN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.998 X(o=-1,f=-0.63) USER MOD Single : A 45 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.12) 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= 0 USER MOD Single : A 61 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.096) USER MOD Single : A 65 TYR OH : rot 165:sc= -3.82! 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+ -171:sc= 0 (180deg=-0.037) USER MOD Single : A 76 TYR OH : rot 180:sc= -1.99 USER MOD Single : A 85 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0399 X(o=-0.04,f=0) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 11.836 37.073 35.827 1.00 0.00 N ATOM 313 CA THR A 21 12.408 38.407 35.848 1.00 0.00 C ATOM 314 C THR A 21 12.951 38.776 34.465 1.00 0.00 C ATOM 315 O THR A 21 12.728 39.886 33.983 1.00 0.00 O ATOM 316 CB THR A 21 13.471 38.450 36.948 1.00 0.00 C ATOM 317 OG1 THR A 21 12.721 38.612 38.148 1.00 0.00 O ATOM 318 CG2 THR A 21 14.337 39.709 36.877 1.00 0.00 C ATOM 0 HA THR A 21 11.651 39.157 36.078 1.00 0.00 H new ATOM 0 HB THR A 21 14.107 37.568 36.873 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.332 38.648 38.913 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.074 39.689 37.679 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.848 39.745 35.915 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.706 40.591 36.986 1.00 0.00 H new ATOM 326 N HIS A 22 13.652 37.825 33.866 1.00 0.00 N ATOM 327 CA HIS A 22 14.228 38.036 32.549 1.00 0.00 C ATOM 328 C HIS A 22 13.111 38.295 31.537 1.00 0.00 C ATOM 329 O HIS A 22 13.370 38.751 30.424 1.00 0.00 O ATOM 330 CB HIS A 22 15.125 36.862 32.154 1.00 0.00 C ATOM 331 CG HIS A 22 16.422 37.274 31.499 1.00 0.00 C ATOM 332 ND1 HIS A 22 17.651 36.763 31.881 1.00 0.00 N ATOM 333 CD2 HIS A 22 16.669 38.150 30.483 1.00 0.00 C ATOM 334 CE1 HIS A 22 18.587 37.315 31.124 1.00 0.00 C ATOM 335 NE2 HIS A 22 17.976 38.175 30.259 1.00 0.00 N ATOM 0 H HIS A 22 13.834 36.906 34.269 1.00 0.00 H new ATOM 0 HA HIS A 22 14.869 38.918 32.565 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.350 36.274 33.044 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.576 36.212 31.473 1.00 0.00 H new ATOM 0 HD2 HIS A 22 15.926 38.726 29.951 1.00 0.00 H new ATOM 0 HE1 HIS A 22 19.647 37.119 31.181 1.00 0.00 H new ATOM 0 HE2 HIS A 22 18.447 38.744 29.555 1.00 0.00 H new ATOM 343 N HIS A 23 11.891 37.995 31.959 1.00 0.00 N ATOM 344 CA HIS A 23 10.734 38.191 31.102 1.00 0.00 C ATOM 345 C HIS A 23 9.903 39.366 31.622 1.00 0.00 C ATOM 346 O HIS A 23 9.349 40.133 30.837 1.00 0.00 O ATOM 347 CB HIS A 23 9.923 36.899 30.982 1.00 0.00 C ATOM 348 CG HIS A 23 8.700 36.857 31.868 1.00 0.00 C ATOM 349 ND1 HIS A 23 7.412 36.793 31.365 1.00 0.00 N ATOM 350 CD2 HIS A 23 8.582 36.869 33.226 1.00 0.00 C ATOM 351 CE1 HIS A 23 6.566 36.770 32.385 1.00 0.00 C ATOM 352 NE2 HIS A 23 7.293 36.819 33.537 1.00 0.00 N ATOM 0 H HIS A 23 11.679 37.618 32.883 1.00 0.00 H new ATOM 0 HA HIS A 23 11.062 38.442 30.093 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.612 36.772 29.945 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.566 36.054 31.228 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.400 36.912 33.930 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.489 36.721 32.316 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.909 36.817 34.482 1.00 0.00 H new ATOM 360 N TRP A 24 9.845 39.470 32.941 1.00 0.00 N ATOM 361 CA TRP A 24 9.092 40.539 33.575 1.00 0.00 C ATOM 362 C TRP A 24 9.833 41.853 33.323 1.00 0.00 C ATOM 363 O TRP A 24 9.216 42.865 32.994 1.00 0.00 O ATOM 364 CB TRP A 24 8.875 40.250 35.062 1.00 0.00 C ATOM 365 CG TRP A 24 8.345 41.446 35.857 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.864 41.996 36.963 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.165 42.221 35.560 1.00 0.00 C ATOM 368 NE1 TRP A 24 8.109 43.064 37.400 1.00 0.00 N ATOM 369 CE2 TRP A 24 7.042 43.205 36.519 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.232 42.095 34.516 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.999 44.140 36.530 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.195 43.035 34.540 1.00 0.00 C ATOM 373 CH2 TRP A 24 5.058 44.033 35.499 1.00 0.00 C ATOM 0 H TRP A 24 10.307 38.832 33.589 1.00 0.00 H new ATOM 0 HA TRP A 24 8.093 40.615 33.145 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.175 39.421 35.162 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.819 39.925 35.500 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.762 41.647 37.451 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.298 43.643 38.218 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.309 41.333 33.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.925 44.902 37.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.450 42.982 33.760 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.229 44.723 35.448 1.00 0.00 H new ATOM 384 N LEU A 25 11.147 41.796 33.488 1.00 0.00 N ATOM 385 CA LEU A 25 11.979 42.969 33.283 1.00 0.00 C ATOM 386 C LEU A 25 11.695 43.555 31.899 1.00 0.00 C ATOM 387 O LEU A 25 11.837 44.758 31.688 1.00 0.00 O ATOM 388 CB LEU A 25 13.452 42.629 33.516 1.00 0.00 C ATOM 389 CG LEU A 25 14.368 43.807 33.854 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.717 44.729 34.886 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.745 43.318 34.309 1.00 0.00 C ATOM 0 H LEU A 25 11.656 40.955 33.761 1.00 0.00 H new ATOM 0 HA LEU A 25 11.735 43.741 34.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.513 41.903 34.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.837 42.140 32.621 1.00 0.00 H new ATOM 0 HG LEU A 25 14.518 44.394 32.948 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.389 45.558 35.109 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.780 45.118 34.487 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.517 44.169 35.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.376 44.175 34.543 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.635 42.695 35.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.206 42.735 33.512 1.00 0.00 H new ATOM 403 N ASN A 26 11.297 42.677 30.990 1.00 0.00 N ATOM 404 CA ASN A 26 10.992 43.092 29.631 1.00 0.00 C ATOM 405 C ASN A 26 9.702 43.915 29.632 1.00 0.00 C ATOM 406 O ASN A 26 9.444 44.672 28.698 1.00 0.00 O ATOM 407 CB ASN A 26 10.780 41.880 28.720 1.00 0.00 C ATOM 408 CG ASN A 26 10.591 42.316 27.266 1.00 0.00 C ATOM 409 OD1 ASN A 26 11.328 43.130 26.734 1.00 0.00 O ATOM 410 ND2 ASN A 26 9.566 41.730 26.655 1.00 0.00 N ATOM 0 H ASN A 26 11.179 41.680 31.168 1.00 0.00 H new ATOM 0 HA ASN A 26 11.832 43.679 29.260 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.636 41.210 28.794 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.906 41.319 29.052 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.357 41.953 25.682 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.989 41.057 27.159 1.00 0.00 H new ATOM 417 N PHE A 27 8.926 43.737 30.691 1.00 0.00 N ATOM 418 CA PHE A 27 7.668 44.454 30.825 1.00 0.00 C ATOM 419 C PHE A 27 7.826 45.670 31.741 1.00 0.00 C ATOM 420 O PHE A 27 7.177 46.694 31.535 1.00 0.00 O ATOM 421 CB PHE A 27 6.666 43.484 31.452 1.00 0.00 C ATOM 422 CG PHE A 27 5.213 43.744 31.050 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.873 44.915 30.448 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.261 42.805 31.293 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.525 45.158 30.073 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.913 43.046 30.920 1.00 0.00 C ATOM 427 CZ PHE A 27 2.573 44.217 30.318 1.00 0.00 C ATOM 0 H PHE A 27 9.143 43.108 31.464 1.00 0.00 H new ATOM 0 HA PHE A 27 7.335 44.808 29.850 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.934 42.467 31.168 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.748 43.544 32.537 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.629 45.661 30.255 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.531 41.874 31.770 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.256 46.088 29.594 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.157 42.299 31.114 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.547 44.400 30.034 1.00 0.00 H new ATOM 437 N LEU A 28 8.691 45.516 32.732 1.00 0.00 N ATOM 438 CA LEU A 28 8.942 46.588 33.680 1.00 0.00 C ATOM 439 C LEU A 28 9.809 47.658 33.015 1.00 0.00 C ATOM 440 O LEU A 28 9.684 48.842 33.321 1.00 0.00 O ATOM 441 CB LEU A 28 9.538 46.031 34.974 1.00 0.00 C ATOM 442 CG LEU A 28 9.574 46.992 36.165 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.188 47.582 36.433 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.156 46.308 37.403 1.00 0.00 C ATOM 0 H LEU A 28 9.227 44.665 32.899 1.00 0.00 H new ATOM 0 HA LEU A 28 8.007 47.068 33.968 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.968 45.148 35.262 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.556 45.700 34.769 1.00 0.00 H new ATOM 0 HG LEU A 28 10.235 47.822 35.916 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.240 48.261 37.284 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.849 48.128 35.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.487 46.777 36.654 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.170 47.012 38.235 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.541 45.448 37.667 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.172 45.976 37.191 1.00 0.00 H new ATOM 456 N GLN A 29 10.669 47.203 32.116 1.00 0.00 N ATOM 457 CA GLN A 29 11.557 48.106 31.404 1.00 0.00 C ATOM 458 C GLN A 29 10.746 49.105 30.575 1.00 0.00 C ATOM 459 O GLN A 29 10.999 50.308 30.623 1.00 0.00 O ATOM 460 CB GLN A 29 12.539 47.331 30.523 1.00 0.00 C ATOM 461 CG GLN A 29 13.860 47.088 31.256 1.00 0.00 C ATOM 462 CD GLN A 29 14.894 46.451 30.325 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.624 47.123 29.614 1.00 0.00 O ATOM 464 NE2 GLN A 29 14.915 45.121 30.369 1.00 0.00 N ATOM 0 H GLN A 29 10.770 46.220 31.864 1.00 0.00 H new ATOM 0 HA GLN A 29 12.141 48.662 32.138 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.099 46.377 30.234 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.726 47.887 29.604 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.245 48.032 31.642 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.690 46.439 32.115 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.276 44.621 30.987 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.570 44.602 29.785 1.00 0.00 H new ATOM 473 N ALA A 30 9.789 48.568 29.833 1.00 0.00 N ATOM 474 CA ALA A 30 8.939 49.396 28.995 1.00 0.00 C ATOM 475 C ALA A 30 8.177 50.390 29.873 1.00 0.00 C ATOM 476 O ALA A 30 8.116 51.578 29.561 1.00 0.00 O ATOM 477 CB ALA A 30 8.003 48.504 28.177 1.00 0.00 C ATOM 0 H ALA A 30 9.583 47.570 29.795 1.00 0.00 H new ATOM 0 HA ALA A 30 9.539 49.971 28.290 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.365 49.126 27.548 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.593 47.837 27.548 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.383 47.913 28.851 1.00 0.00 H new ATOM 483 N ALA A 31 7.614 49.867 30.952 1.00 0.00 N ATOM 484 CA ALA A 31 6.858 50.695 31.877 1.00 0.00 C ATOM 485 C ALA A 31 7.751 51.825 32.391 1.00 0.00 C ATOM 486 O ALA A 31 7.289 52.949 32.580 1.00 0.00 O ATOM 487 CB ALA A 31 6.311 49.824 33.010 1.00 0.00 C ATOM 0 H ALA A 31 7.666 48.881 31.207 1.00 0.00 H new ATOM 0 HA ALA A 31 6.005 51.152 31.374 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.744 50.444 33.704 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.660 49.055 32.595 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.139 49.352 33.538 1.00 0.00 H new ATOM 493 N TYR A 32 9.016 51.489 32.601 1.00 0.00 N ATOM 494 CA TYR A 32 9.978 52.461 33.089 1.00 0.00 C ATOM 495 C TYR A 32 10.414 53.410 31.970 1.00 0.00 C ATOM 496 O TYR A 32 11.052 54.429 32.228 1.00 0.00 O ATOM 497 CB TYR A 32 11.191 51.656 33.559 1.00 0.00 C ATOM 498 CG TYR A 32 11.609 51.945 35.002 1.00 0.00 C ATOM 499 CD1 TYR A 32 10.976 51.301 36.045 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.617 52.851 35.260 1.00 0.00 C ATOM 501 CE1 TYR A 32 11.369 51.573 37.404 1.00 0.00 C ATOM 502 CE2 TYR A 32 13.010 53.123 36.619 1.00 0.00 C ATOM 503 CZ TYR A 32 12.366 52.471 37.624 1.00 0.00 C ATOM 504 OH TYR A 32 12.737 52.728 38.907 1.00 0.00 O ATOM 0 H TYR A 32 9.396 50.556 32.442 1.00 0.00 H new ATOM 0 HA TYR A 32 9.543 53.064 33.886 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.969 50.593 33.462 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.032 51.867 32.899 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.186 50.593 35.843 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.111 53.356 34.443 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.883 51.075 38.230 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.798 53.829 36.835 1.00 0.00 H new ATOM 0 HH TYR A 32 13.461 53.388 38.912 1.00 0.00 H new ATOM 514 N ARG A 33 10.050 53.042 30.750 1.00 0.00 N ATOM 515 CA ARG A 33 10.395 53.847 29.591 1.00 0.00 C ATOM 516 C ARG A 33 9.263 54.824 29.267 1.00 0.00 C ATOM 517 O ARG A 33 9.435 55.732 28.456 1.00 0.00 O ATOM 518 CB ARG A 33 10.664 52.967 28.369 1.00 0.00 C ATOM 519 CG ARG A 33 12.072 53.208 27.819 1.00 0.00 C ATOM 520 CD ARG A 33 12.026 53.563 26.332 1.00 0.00 C ATOM 521 NE ARG A 33 11.495 54.934 26.155 1.00 0.00 N ATOM 522 CZ ARG A 33 12.151 56.053 26.529 1.00 0.00 C ATOM 523 NH1 ARG A 33 13.371 55.973 27.102 1.00 0.00 N ATOM 524 NH2 ARG A 33 11.583 57.227 26.324 1.00 0.00 N ATOM 0 H ARG A 33 9.519 52.197 30.539 1.00 0.00 H new ATOM 0 HA ARG A 33 11.302 54.402 29.832 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.550 51.917 28.640 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.926 53.178 27.595 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.550 54.015 28.375 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.681 52.316 27.965 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.025 53.493 25.902 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.398 52.849 25.798 1.00 0.00 H new ATOM 0 HE ARG A 33 10.577 55.039 25.724 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.804 55.062 27.255 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.860 56.823 27.382 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.662 57.279 25.889 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.065 58.082 26.601 1.00 0.00 H new ATOM 537 N LEU A 34 8.131 54.604 29.918 1.00 0.00 N ATOM 538 CA LEU A 34 6.970 55.454 29.711 1.00 0.00 C ATOM 539 C LEU A 34 7.013 56.620 30.701 1.00 0.00 C ATOM 540 O LEU A 34 6.809 57.770 30.318 1.00 0.00 O ATOM 541 CB LEU A 34 5.682 54.631 29.785 1.00 0.00 C ATOM 542 CG LEU A 34 5.497 53.575 28.693 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.419 52.563 29.087 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.201 54.230 27.343 1.00 0.00 C ATOM 0 H LEU A 34 7.992 53.849 30.590 1.00 0.00 H new ATOM 0 HA LEU A 34 6.988 55.885 28.710 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.648 54.133 30.754 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.834 55.315 29.748 1.00 0.00 H new ATOM 0 HG LEU A 34 6.432 53.025 28.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.307 51.823 28.294 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.710 52.063 30.011 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.471 53.081 29.237 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.074 53.458 26.584 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.287 54.820 27.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.031 54.880 27.064 1.00 0.00 H new ATOM 665 N PHE A 43 1.136 50.011 38.295 1.00 0.00 N ATOM 666 CA PHE A 43 1.312 48.572 38.401 1.00 0.00 C ATOM 667 C PHE A 43 -0.032 47.868 38.591 1.00 0.00 C ATOM 668 O PHE A 43 -0.126 46.650 38.446 1.00 0.00 O ATOM 669 CB PHE A 43 2.188 48.317 39.629 1.00 0.00 C ATOM 670 CG PHE A 43 3.666 48.655 39.421 1.00 0.00 C ATOM 671 CD1 PHE A 43 4.059 49.952 39.324 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.585 47.656 39.334 1.00 0.00 C ATOM 673 CE1 PHE A 43 5.431 50.266 39.131 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.956 47.969 39.142 1.00 0.00 C ATOM 675 CZ PHE A 43 6.351 49.267 39.044 1.00 0.00 C ATOM 0 HA PHE A 43 1.768 48.185 37.490 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.806 48.905 40.464 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.102 47.268 39.912 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.328 50.744 39.394 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.272 46.625 39.411 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.744 51.297 39.053 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.686 47.176 39.074 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.394 49.505 38.897 1.00 0.00 H new ATOM 685 N GLN A 44 -1.041 48.665 38.914 1.00 0.00 N ATOM 686 CA GLN A 44 -2.377 48.133 39.127 1.00 0.00 C ATOM 687 C GLN A 44 -2.949 47.596 37.813 1.00 0.00 C ATOM 688 O GLN A 44 -3.379 46.446 37.744 1.00 0.00 O ATOM 689 CB GLN A 44 -3.298 49.192 39.734 1.00 0.00 C ATOM 690 CG GLN A 44 -4.552 48.550 40.330 1.00 0.00 C ATOM 691 CD GLN A 44 -4.185 47.441 41.317 1.00 0.00 C ATOM 692 OE1 GLN A 44 -3.893 47.679 42.478 1.00 0.00 O ATOM 693 NE2 GLN A 44 -4.215 46.218 40.794 1.00 0.00 N ATOM 0 H GLN A 44 -0.960 49.675 39.033 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.310 47.308 39.836 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.764 49.743 40.508 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.583 49.913 38.968 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.148 49.309 40.836 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.170 48.140 39.531 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.468 46.088 39.814 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.985 45.410 41.373 1.00 0.00 H new ATOM 702 N GLN A 45 -2.937 48.455 36.805 1.00 0.00 N ATOM 703 CA GLN A 45 -3.450 48.082 35.498 1.00 0.00 C ATOM 704 C GLN A 45 -2.623 46.936 34.910 1.00 0.00 C ATOM 705 O GLN A 45 -3.115 46.173 34.081 1.00 0.00 O ATOM 706 CB GLN A 45 -3.469 49.284 34.552 1.00 0.00 C ATOM 707 CG GLN A 45 -4.893 49.589 34.081 1.00 0.00 C ATOM 708 CD GLN A 45 -5.595 50.549 35.044 1.00 0.00 C ATOM 709 OE1 GLN A 45 -5.729 50.293 36.230 1.00 0.00 O ATOM 710 NE2 GLN A 45 -6.034 51.666 34.470 1.00 0.00 N ATOM 0 H GLN A 45 -2.580 49.408 36.867 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.478 47.739 35.618 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.055 50.156 35.058 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.832 49.083 33.690 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.864 50.026 33.083 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.462 48.662 34.007 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.889 51.818 33.472 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.516 52.371 35.028 1.00 0.00 H new ATOM 719 N LEU A 46 -1.382 46.851 35.366 1.00 0.00 N ATOM 720 CA LEU A 46 -0.483 45.811 34.896 1.00 0.00 C ATOM 721 C LEU A 46 -0.792 44.506 35.629 1.00 0.00 C ATOM 722 O LEU A 46 -1.081 43.488 35.001 1.00 0.00 O ATOM 723 CB LEU A 46 0.974 46.261 35.029 1.00 0.00 C ATOM 724 CG LEU A 46 1.725 46.501 33.718 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.892 47.468 33.924 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.179 45.179 33.096 1.00 0.00 C ATOM 0 H LEU A 46 -0.978 47.485 36.056 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.639 45.625 33.833 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.997 47.182 35.612 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.515 45.508 35.602 1.00 0.00 H new ATOM 0 HG LEU A 46 1.039 46.970 33.012 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.409 47.621 32.977 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.513 48.423 34.289 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.586 47.050 34.653 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.710 45.378 32.165 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.842 44.660 33.788 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.309 44.556 32.891 1.00 0.00 H new ATOM 738 N ARG A 47 -0.721 44.575 36.950 1.00 0.00 N ATOM 739 CA ARG A 47 -0.990 43.410 37.777 1.00 0.00 C ATOM 740 C ARG A 47 -2.362 42.824 37.437 1.00 0.00 C ATOM 741 O ARG A 47 -2.635 41.661 37.734 1.00 0.00 O ATOM 742 CB ARG A 47 -0.951 43.770 39.264 1.00 0.00 C ATOM 743 CG ARG A 47 -0.404 42.607 40.095 1.00 0.00 C ATOM 744 CD ARG A 47 0.075 43.090 41.465 1.00 0.00 C ATOM 745 NE ARG A 47 -1.076 43.230 42.384 1.00 0.00 N ATOM 746 CZ ARG A 47 -1.049 43.944 43.529 1.00 0.00 C ATOM 747 NH1 ARG A 47 0.074 44.591 43.906 1.00 0.00 N ATOM 748 NH2 ARG A 47 -2.138 44.001 44.274 1.00 0.00 N ATOM 0 H ARG A 47 -0.481 45.420 37.469 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.215 42.671 37.573 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.328 44.652 39.412 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.954 44.026 39.606 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.178 41.851 40.222 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.421 42.132 39.564 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.796 42.384 41.877 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.588 44.046 41.363 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.945 42.757 42.137 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.910 44.542 43.324 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.086 45.129 44.773 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.983 43.510 43.981 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.134 44.536 45.142 1.00 0.00 H new ATOM 761 N ARG A 48 -3.189 43.655 36.820 1.00 0.00 N ATOM 762 CA ARG A 48 -4.525 43.233 36.436 1.00 0.00 C ATOM 763 C ARG A 48 -4.473 42.411 35.147 1.00 0.00 C ATOM 764 O ARG A 48 -5.199 41.427 35.005 1.00 0.00 O ATOM 765 CB ARG A 48 -5.445 44.438 36.228 1.00 0.00 C ATOM 766 CG ARG A 48 -6.269 44.724 37.484 1.00 0.00 C ATOM 767 CD ARG A 48 -7.442 43.750 37.604 1.00 0.00 C ATOM 768 NE ARG A 48 -8.673 44.371 37.066 1.00 0.00 N ATOM 769 CZ ARG A 48 -9.785 43.682 36.733 1.00 0.00 C ATOM 770 NH1 ARG A 48 -9.830 42.340 36.881 1.00 0.00 N ATOM 771 NH2 ARG A 48 -10.828 44.339 36.260 1.00 0.00 N ATOM 0 H ARG A 48 -2.960 44.619 36.576 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.924 42.621 37.245 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.849 45.314 35.972 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.112 44.249 35.387 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.634 44.644 38.366 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.643 45.747 37.453 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.220 42.832 37.060 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.591 43.474 38.648 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.682 45.383 36.939 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.020 41.840 37.247 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.674 41.827 36.627 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.786 45.352 36.151 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.676 43.833 36.004 1.00 0.00 H new ATOM 784 N PHE A 49 -3.609 42.843 34.242 1.00 0.00 N ATOM 785 CA PHE A 49 -3.451 42.159 32.969 1.00 0.00 C ATOM 786 C PHE A 49 -2.595 40.900 33.126 1.00 0.00 C ATOM 787 O PHE A 49 -2.814 39.907 32.434 1.00 0.00 O ATOM 788 CB PHE A 49 -2.742 43.130 32.024 1.00 0.00 C ATOM 789 CG PHE A 49 -2.146 42.464 30.781 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.942 41.738 29.952 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.821 42.600 30.507 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.389 41.120 28.798 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.268 41.983 29.354 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.063 41.256 28.524 1.00 0.00 C ATOM 0 H PHE A 49 -3.010 43.659 34.364 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.426 41.857 32.585 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.450 43.897 31.709 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.946 43.636 32.570 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.994 41.631 30.170 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.190 43.177 31.166 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.021 40.543 28.139 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.784 42.091 29.136 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.642 40.787 27.647 1.00 0.00 H new ATOM 804 N LEU A 50 -1.639 40.983 34.039 1.00 0.00 N ATOM 805 CA LEU A 50 -0.750 39.862 34.295 1.00 0.00 C ATOM 806 C LEU A 50 -1.534 38.739 34.977 1.00 0.00 C ATOM 807 O LEU A 50 -1.517 37.598 34.518 1.00 0.00 O ATOM 808 CB LEU A 50 0.478 40.322 35.083 1.00 0.00 C ATOM 809 CG LEU A 50 1.340 41.397 34.417 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.001 42.297 35.463 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.364 40.769 33.470 1.00 0.00 C ATOM 0 H LEU A 50 -1.460 41.809 34.611 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.366 39.458 33.358 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.144 40.700 36.049 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.105 39.452 35.280 1.00 0.00 H new ATOM 0 HG LEU A 50 0.690 42.031 33.814 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.608 43.052 34.962 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.232 42.787 36.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.635 41.694 36.113 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.964 41.554 33.010 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.014 40.098 34.031 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.845 40.207 32.694 1.00 0.00 H new ATOM 823 N LYS A 51 -2.202 39.103 36.062 1.00 0.00 N ATOM 824 CA LYS A 51 -2.990 38.141 36.812 1.00 0.00 C ATOM 825 C LYS A 51 -3.984 37.456 35.870 1.00 0.00 C ATOM 826 O LYS A 51 -4.368 36.310 36.094 1.00 0.00 O ATOM 827 CB LYS A 51 -3.650 38.811 38.018 1.00 0.00 C ATOM 828 CG LYS A 51 -4.152 37.769 39.019 1.00 0.00 C ATOM 829 CD LYS A 51 -3.873 38.210 40.457 1.00 0.00 C ATOM 830 CE LYS A 51 -2.484 37.754 40.911 1.00 0.00 C ATOM 831 NZ LYS A 51 -1.983 38.623 41.999 1.00 0.00 N ATOM 0 H LYS A 51 -2.213 40.051 36.439 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.348 37.361 37.222 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.936 39.474 38.506 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.483 39.430 37.684 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.223 37.616 38.883 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.666 36.812 38.828 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.945 39.295 40.529 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.631 37.796 41.122 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.528 36.720 41.254 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.793 37.781 40.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.040 38.300 42.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.922 39.604 41.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.635 38.577 42.808 1.00 0.00 H new ATOM 844 N LEU A 52 -4.370 38.188 34.836 1.00 0.00 N ATOM 845 CA LEU A 52 -5.311 37.667 33.859 1.00 0.00 C ATOM 846 C LEU A 52 -4.671 36.490 33.119 1.00 0.00 C ATOM 847 O LEU A 52 -5.263 35.416 33.027 1.00 0.00 O ATOM 848 CB LEU A 52 -5.796 38.784 32.933 1.00 0.00 C ATOM 849 CG LEU A 52 -6.508 38.335 31.656 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.264 39.498 31.012 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.526 37.681 30.681 1.00 0.00 C ATOM 0 H LEU A 52 -4.048 39.138 34.653 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.203 37.286 34.355 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.473 39.427 33.496 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.938 39.394 32.651 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.246 37.580 31.925 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.761 39.152 30.106 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.008 39.880 31.711 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.562 40.293 30.759 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.058 37.371 29.782 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.748 38.396 30.414 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.072 36.809 31.152 1.00 0.00 H new ATOM 863 N ALA A 53 -3.471 36.733 32.612 1.00 0.00 N ATOM 864 CA ALA A 53 -2.745 35.706 31.884 1.00 0.00 C ATOM 865 C ALA A 53 -2.459 34.530 32.818 1.00 0.00 C ATOM 866 O ALA A 53 -2.401 33.383 32.379 1.00 0.00 O ATOM 867 CB ALA A 53 -1.468 36.306 31.294 1.00 0.00 C ATOM 0 H ALA A 53 -2.984 37.626 32.691 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.342 35.329 31.054 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.923 35.536 30.748 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.728 37.118 30.615 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.842 36.692 32.098 1.00 0.00 H new ATOM 873 N LEU A 54 -2.287 34.854 34.092 1.00 0.00 N ATOM 874 CA LEU A 54 -2.008 33.838 35.093 1.00 0.00 C ATOM 875 C LEU A 54 -3.076 32.746 35.015 1.00 0.00 C ATOM 876 O LEU A 54 -2.799 31.581 35.294 1.00 0.00 O ATOM 877 CB LEU A 54 -1.878 34.474 36.478 1.00 0.00 C ATOM 878 CG LEU A 54 -0.550 34.239 37.201 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.627 34.314 36.225 1.00 0.00 C ATOM 880 CD2 LEU A 54 -0.385 35.209 38.373 1.00 0.00 C ATOM 0 H LEU A 54 -2.336 35.806 34.454 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.048 33.360 34.896 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.030 35.549 36.378 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.684 34.095 37.107 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.561 33.231 37.616 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.559 34.143 36.765 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.510 33.552 35.454 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.652 35.300 35.760 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.567 35.021 38.870 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.405 36.234 38.003 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.200 35.064 39.083 1.00 0.00 H new ATOM 892 N LYS A 55 -4.276 33.161 34.634 1.00 0.00 N ATOM 893 CA LYS A 55 -5.387 32.232 34.516 1.00 0.00 C ATOM 894 C LYS A 55 -5.139 31.295 33.333 1.00 0.00 C ATOM 895 O LYS A 55 -5.869 30.323 33.143 1.00 0.00 O ATOM 896 CB LYS A 55 -6.713 32.991 34.433 1.00 0.00 C ATOM 897 CG LYS A 55 -7.900 32.037 34.580 1.00 0.00 C ATOM 898 CD LYS A 55 -8.626 31.856 33.246 1.00 0.00 C ATOM 899 CE LYS A 55 -9.839 32.784 33.152 1.00 0.00 C ATOM 900 NZ LYS A 55 -10.989 32.074 32.548 1.00 0.00 N ATOM 0 H LYS A 55 -4.503 34.128 34.403 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.459 31.608 35.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.752 33.749 35.215 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.778 33.514 33.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.551 31.070 34.942 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.593 32.426 35.326 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.941 32.063 32.424 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.947 30.820 33.140 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.107 33.144 34.145 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.589 33.660 32.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.804 32.718 32.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.735 31.752 31.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.237 31.252 33.135 1.00 0.00 H new ATOM 913 N THR A 56 -4.106 31.619 32.569 1.00 0.00 N ATOM 914 CA THR A 56 -3.753 30.819 31.409 1.00 0.00 C ATOM 915 C THR A 56 -2.315 30.312 31.529 1.00 0.00 C ATOM 916 O THR A 56 -1.394 30.912 30.976 1.00 0.00 O ATOM 917 CB THR A 56 -3.998 31.664 30.157 1.00 0.00 C ATOM 918 OG1 THR A 56 -5.222 32.342 30.429 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.309 30.812 28.926 1.00 0.00 C ATOM 0 H THR A 56 -3.502 32.425 32.731 1.00 0.00 H new ATOM 0 HA THR A 56 -4.375 29.926 31.341 1.00 0.00 H new ATOM 0 HB THR A 56 -3.121 32.280 29.959 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.537 32.787 29.615 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.474 31.461 28.066 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.470 30.147 28.722 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.205 30.219 29.111 1.00 0.00 H new ATOM 927 N PRO A 57 -2.163 29.184 32.272 1.00 0.00 N ATOM 928 CA PRO A 57 -0.852 28.589 32.471 1.00 0.00 C ATOM 929 C PRO A 57 -0.382 27.863 31.210 1.00 0.00 C ATOM 930 O PRO A 57 -0.016 26.689 31.264 1.00 0.00 O ATOM 931 CB PRO A 57 -1.018 27.662 33.664 1.00 0.00 C ATOM 932 CG PRO A 57 -2.511 27.417 33.798 1.00 0.00 C ATOM 933 CD PRO A 57 -3.231 28.446 32.940 1.00 0.00 C ATOM 0 HA PRO A 57 -0.078 29.332 32.665 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.481 26.726 33.509 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.614 28.115 34.569 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.763 26.407 33.475 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.820 27.505 34.840 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.893 27.967 32.218 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.848 29.107 33.549 1.00 0.00 H new ATOM 941 N ILE A 58 -0.406 28.591 30.102 1.00 0.00 N ATOM 942 CA ILE A 58 0.014 28.030 28.830 1.00 0.00 C ATOM 943 C ILE A 58 1.235 28.796 28.317 1.00 0.00 C ATOM 944 O ILE A 58 1.991 28.286 27.491 1.00 0.00 O ATOM 945 CB ILE A 58 -1.156 28.007 27.843 1.00 0.00 C ATOM 946 CG1 ILE A 58 -0.688 28.365 26.431 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.292 28.915 28.318 1.00 0.00 C ATOM 948 CD1 ILE A 58 0.245 27.288 25.873 1.00 0.00 C ATOM 0 H ILE A 58 -0.710 29.564 30.060 1.00 0.00 H new ATOM 0 HA ILE A 58 0.318 26.991 28.954 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.551 26.992 27.804 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.552 28.478 25.776 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.172 29.325 26.447 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.110 28.880 27.599 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.648 28.574 29.290 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.928 29.939 28.404 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.563 27.567 24.868 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.119 27.194 26.517 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.282 26.334 25.835 1.00 0.00 H new ATOM 960 N TRP A 59 1.391 30.008 28.829 1.00 0.00 N ATOM 961 CA TRP A 59 2.507 30.849 28.434 1.00 0.00 C ATOM 962 C TRP A 59 3.612 30.692 29.482 1.00 0.00 C ATOM 963 O TRP A 59 4.784 30.931 29.195 1.00 0.00 O ATOM 964 CB TRP A 59 2.063 32.300 28.247 1.00 0.00 C ATOM 965 CG TRP A 59 1.204 32.841 29.394 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.105 32.647 29.606 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.652 33.674 30.483 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.532 33.294 30.748 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.569 33.938 31.299 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.927 34.190 30.770 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.653 34.724 32.454 1.00 0.00 C ATOM 972 CZ3 TRP A 59 2.995 34.973 31.929 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.915 35.248 32.760 1.00 0.00 C ATOM 0 H TRP A 59 0.763 30.427 29.514 1.00 0.00 H new ATOM 0 HA TRP A 59 2.899 30.539 27.465 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.947 32.929 28.141 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.501 32.380 27.317 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.745 32.059 28.965 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.482 33.299 31.119 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.787 33.998 30.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.209 34.916 33.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.954 35.393 32.196 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.049 35.863 33.638 1.00 0.00 H new ATOM 984 N LEU A 60 3.198 30.294 30.676 1.00 0.00 N ATOM 985 CA LEU A 60 4.137 30.103 31.767 1.00 0.00 C ATOM 986 C LEU A 60 5.045 28.912 31.452 1.00 0.00 C ATOM 987 O LEU A 60 6.268 29.037 31.470 1.00 0.00 O ATOM 988 CB LEU A 60 3.392 29.973 33.099 1.00 0.00 C ATOM 989 CG LEU A 60 3.607 31.107 34.101 1.00 0.00 C ATOM 990 CD1 LEU A 60 3.810 32.443 33.383 1.00 0.00 C ATOM 991 CD2 LEU A 60 2.462 31.170 35.114 1.00 0.00 C ATOM 0 H LEU A 60 2.225 30.099 30.911 1.00 0.00 H new ATOM 0 HA LEU A 60 4.781 30.976 31.871 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.325 29.897 32.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.692 29.037 33.570 1.00 0.00 H new ATOM 0 HG LEU A 60 4.520 30.899 34.659 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.961 33.233 34.119 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.685 32.379 32.736 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.930 32.671 32.782 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.641 31.986 35.815 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.522 31.341 34.590 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.407 30.228 35.660 1.00 0.00 H new ATOM 1003 N ASN A 61 4.410 27.783 31.171 1.00 0.00 N ATOM 1004 CA ASN A 61 5.145 26.572 30.850 1.00 0.00 C ATOM 1005 C ASN A 61 6.230 26.894 29.820 1.00 0.00 C ATOM 1006 O ASN A 61 7.416 26.705 30.083 1.00 0.00 O ATOM 1007 CB ASN A 61 4.222 25.510 30.249 1.00 0.00 C ATOM 1008 CG ASN A 61 4.148 24.274 31.149 1.00 0.00 C ATOM 1009 OD1 ASN A 61 3.950 24.360 32.350 1.00 0.00 O ATOM 1010 ND2 ASN A 61 4.319 23.125 30.503 1.00 0.00 N ATOM 0 H ASN A 61 3.395 27.682 31.159 1.00 0.00 H new ATOM 0 HA ASN A 61 5.582 26.190 31.773 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.224 25.926 30.113 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.585 25.224 29.262 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.288 22.243 31.014 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.481 23.125 29.496 1.00 0.00 H new ATOM 1017 N PRO A 62 5.770 27.388 28.640 1.00 0.00 N ATOM 1018 CA PRO A 62 6.688 27.739 27.568 1.00 0.00 C ATOM 1019 C PRO A 62 7.414 29.051 27.875 1.00 0.00 C ATOM 1020 O PRO A 62 8.345 29.430 27.166 1.00 0.00 O ATOM 1021 CB PRO A 62 5.824 27.817 26.320 1.00 0.00 C ATOM 1022 CG PRO A 62 4.393 27.964 26.811 1.00 0.00 C ATOM 1023 CD PRO A 62 4.373 27.626 28.294 1.00 0.00 C ATOM 0 HA PRO A 62 7.485 27.006 27.440 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.112 28.664 25.698 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.937 26.921 25.710 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.035 28.980 26.646 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.729 27.299 26.259 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.954 28.444 28.881 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.761 26.746 28.491 1.00 0.00 H new ATOM 1031 N ILE A 63 6.960 29.708 28.932 1.00 0.00 N ATOM 1032 CA ILE A 63 7.554 30.968 29.342 1.00 0.00 C ATOM 1033 C ILE A 63 7.953 31.767 28.099 1.00 0.00 C ATOM 1034 O ILE A 63 9.086 31.669 27.632 1.00 0.00 O ATOM 1035 CB ILE A 63 8.710 30.725 30.314 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.223 32.044 30.896 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.828 29.920 29.646 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.062 32.966 31.272 1.00 0.00 C ATOM 0 H ILE A 63 6.187 29.391 29.517 1.00 0.00 H new ATOM 0 HA ILE A 63 6.829 31.570 29.890 1.00 0.00 H new ATOM 0 HB ILE A 63 8.337 30.129 31.147 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.833 31.844 31.777 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.866 32.541 30.169 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.638 29.761 30.358 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.437 28.956 29.320 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.206 30.469 28.784 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.454 33.896 31.683 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.468 33.184 30.384 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.435 32.476 32.017 1.00 0.00 H new ATOM 1050 N ASP A 64 6.999 32.538 27.598 1.00 0.00 N ATOM 1051 CA ASP A 64 7.238 33.353 26.419 1.00 0.00 C ATOM 1052 C ASP A 64 6.233 34.506 26.390 1.00 0.00 C ATOM 1053 O ASP A 64 5.027 34.282 26.290 1.00 0.00 O ATOM 1054 CB ASP A 64 7.055 32.536 25.139 1.00 0.00 C ATOM 1055 CG ASP A 64 6.684 33.350 23.898 1.00 0.00 C ATOM 1056 OD1 ASP A 64 5.566 33.875 23.790 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.611 33.436 23.006 1.00 0.00 O ATOM 0 H ASP A 64 6.059 32.616 27.987 1.00 0.00 H new ATOM 0 HA ASP A 64 8.262 33.724 26.467 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.979 31.995 24.937 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.279 31.790 25.310 1.00 0.00 H new ATOM 1063 N TYR A 65 6.766 35.716 26.480 1.00 0.00 N ATOM 1064 CA TYR A 65 5.931 36.905 26.464 1.00 0.00 C ATOM 1065 C TYR A 65 5.231 37.066 25.113 1.00 0.00 C ATOM 1066 O TYR A 65 4.272 37.828 24.995 1.00 0.00 O ATOM 1067 CB TYR A 65 6.878 38.088 26.679 1.00 0.00 C ATOM 1068 CG TYR A 65 6.191 39.344 27.220 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.408 40.116 26.386 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.355 39.704 28.542 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.763 41.298 26.895 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.710 40.887 29.051 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.945 41.624 28.203 1.00 0.00 C ATOM 1074 OH TYR A 65 4.335 42.741 28.684 1.00 0.00 O ATOM 0 H TYR A 65 7.766 35.898 26.564 1.00 0.00 H new ATOM 0 HA TYR A 65 5.159 36.842 27.231 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.665 37.789 27.372 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.362 38.330 25.733 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.279 39.833 25.352 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.967 39.099 29.195 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.149 41.912 26.253 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.831 41.182 30.083 1.00 0.00 H new ATOM 0 HH TYR A 65 4.350 42.726 29.664 1.00 0.00 H new ATOM 1084 N SER A 66 5.738 36.338 24.130 1.00 0.00 N ATOM 1085 CA SER A 66 5.173 36.391 22.792 1.00 0.00 C ATOM 1086 C SER A 66 3.718 35.921 22.819 1.00 0.00 C ATOM 1087 O SER A 66 2.931 36.273 21.942 1.00 0.00 O ATOM 1088 CB SER A 66 5.988 35.539 21.816 1.00 0.00 C ATOM 1089 OG SER A 66 6.090 36.150 20.532 1.00 0.00 O ATOM 0 H SER A 66 6.534 35.708 24.233 1.00 0.00 H new ATOM 0 HA SER A 66 5.208 37.424 22.447 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.987 35.378 22.222 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.523 34.558 21.715 1.00 0.00 H new ATOM 0 HG SER A 66 6.619 35.577 19.938 1.00 0.00 H new ATOM 1095 N LEU A 67 3.403 35.133 23.837 1.00 0.00 N ATOM 1096 CA LEU A 67 2.056 34.612 23.991 1.00 0.00 C ATOM 1097 C LEU A 67 1.234 35.576 24.848 1.00 0.00 C ATOM 1098 O LEU A 67 0.005 35.539 24.827 1.00 0.00 O ATOM 1099 CB LEU A 67 2.093 33.182 24.537 1.00 0.00 C ATOM 1100 CG LEU A 67 0.742 32.475 24.661 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.927 30.975 24.896 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.118 33.125 25.747 1.00 0.00 C ATOM 0 H LEU A 67 4.058 34.843 24.563 1.00 0.00 H new ATOM 0 HA LEU A 67 1.561 34.546 23.022 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.735 32.584 23.890 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.562 33.202 25.521 1.00 0.00 H new ATOM 0 HG LEU A 67 0.209 32.588 23.717 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.049 30.497 24.980 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.473 30.540 24.059 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.489 30.818 25.817 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.073 32.604 25.815 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.398 33.064 26.705 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.293 34.171 25.495 1.00 0.00 H new ATOM 1114 N LEU A 68 1.947 36.416 25.583 1.00 0.00 N ATOM 1115 CA LEU A 68 1.299 37.389 26.447 1.00 0.00 C ATOM 1116 C LEU A 68 0.546 38.407 25.588 1.00 0.00 C ATOM 1117 O LEU A 68 -0.670 38.544 25.702 1.00 0.00 O ATOM 1118 CB LEU A 68 2.316 38.021 27.399 1.00 0.00 C ATOM 1119 CG LEU A 68 2.301 37.502 28.838 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.207 38.346 29.736 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.872 37.424 29.378 1.00 0.00 C ATOM 0 H LEU A 68 2.967 36.443 25.599 1.00 0.00 H new ATOM 0 HA LEU A 68 0.561 36.901 27.084 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.314 37.866 26.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.144 39.097 27.420 1.00 0.00 H new ATOM 0 HG LEU A 68 2.702 36.488 28.839 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.177 37.955 30.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.230 38.306 29.361 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.860 39.379 29.734 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.890 37.052 30.402 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.422 38.416 29.360 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.285 36.748 28.757 1.00 0.00 H new ATOM 1133 N ALA A 69 1.302 39.095 24.744 1.00 0.00 N ATOM 1134 CA ALA A 69 0.722 40.097 23.866 1.00 0.00 C ATOM 1135 C ALA A 69 -0.486 39.496 23.142 1.00 0.00 C ATOM 1136 O ALA A 69 -1.359 40.225 22.674 1.00 0.00 O ATOM 1137 CB ALA A 69 1.790 40.604 22.894 1.00 0.00 C ATOM 0 H ALA A 69 2.311 38.978 24.650 1.00 0.00 H new ATOM 0 HA ALA A 69 0.370 40.954 24.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.355 41.356 22.235 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.613 41.046 23.456 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.164 39.772 22.298 1.00 0.00 H new ATOM 1143 N SER A 70 -0.497 38.173 23.074 1.00 0.00 N ATOM 1144 CA SER A 70 -1.582 37.466 22.417 1.00 0.00 C ATOM 1145 C SER A 70 -2.830 37.485 23.301 1.00 0.00 C ATOM 1146 O SER A 70 -3.936 37.715 22.814 1.00 0.00 O ATOM 1147 CB SER A 70 -1.184 36.025 22.090 1.00 0.00 C ATOM 1148 OG SER A 70 -1.982 35.474 21.047 1.00 0.00 O ATOM 0 H SER A 70 0.229 37.572 23.464 1.00 0.00 H new ATOM 0 HA SER A 70 -1.802 37.974 21.478 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.135 35.997 21.797 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.282 35.410 22.985 1.00 0.00 H new ATOM 0 HG SER A 70 -1.696 34.554 20.867 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.611 37.239 24.584 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.704 37.225 25.541 1.00 0.00 C ATOM 1156 C LEU A 71 -4.451 38.559 25.476 1.00 0.00 C ATOM 1157 O LEU A 71 -5.678 38.593 25.555 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.189 36.876 26.938 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.686 35.554 27.527 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.560 34.520 27.580 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.329 35.772 28.898 1.00 0.00 C ATOM 0 H LEU A 71 -1.692 37.048 24.983 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.422 36.445 25.287 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.100 36.849 26.906 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.468 37.681 27.618 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.458 35.156 26.869 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.940 33.590 28.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.188 34.335 26.572 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.749 34.897 28.203 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.674 34.817 29.294 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.596 36.204 29.579 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.176 36.451 28.799 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.679 39.626 25.331 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.252 40.959 25.255 1.00 0.00 C ATOM 1175 C ILE A 72 -5.552 40.906 24.451 1.00 0.00 C ATOM 1176 O ILE A 72 -5.525 40.829 23.223 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.227 41.952 24.701 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.063 42.138 25.676 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.892 43.283 24.341 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -2.035 43.562 26.232 1.00 0.00 C ATOM 0 H ILE A 72 -2.662 39.594 25.264 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.507 41.321 26.251 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.814 41.540 23.781 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.154 41.426 26.496 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.122 41.923 25.170 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.142 43.970 23.950 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.659 43.114 23.585 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.350 43.714 25.232 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.198 43.667 26.922 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.920 44.271 25.412 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.967 43.765 26.759 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.690 40.949 25.194 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.998 40.905 24.564 1.00 0.00 C ATOM 1194 C PRO A 73 -8.335 42.246 23.907 1.00 0.00 C ATOM 1195 O PRO A 73 -8.357 43.280 24.573 1.00 0.00 O ATOM 1196 CB PRO A 73 -8.961 40.533 25.680 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.231 40.836 26.978 1.00 0.00 C ATOM 1198 CD PRO A 73 -6.761 41.040 26.650 1.00 0.00 C ATOM 0 HA PRO A 73 -8.050 40.179 23.753 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.884 41.108 25.607 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.236 39.480 25.623 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.644 41.728 27.449 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.354 40.016 27.685 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.407 42.008 27.004 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.140 40.280 27.125 1.00 0.00 H new ATOM 1206 N LYS A 74 -8.589 42.185 22.608 1.00 0.00 N ATOM 1207 CA LYS A 74 -8.924 43.381 21.853 1.00 0.00 C ATOM 1208 C LYS A 74 -8.201 44.583 22.465 1.00 0.00 C ATOM 1209 O LYS A 74 -8.808 45.630 22.686 1.00 0.00 O ATOM 1210 CB LYS A 74 -10.441 43.554 21.768 1.00 0.00 C ATOM 1211 CG LYS A 74 -11.054 42.546 20.792 1.00 0.00 C ATOM 1212 CD LYS A 74 -12.567 42.738 20.685 1.00 0.00 C ATOM 1213 CE LYS A 74 -13.287 42.100 21.874 1.00 0.00 C ATOM 1214 NZ LYS A 74 -13.366 40.632 21.707 1.00 0.00 N ATOM 0 H LYS A 74 -8.570 41.326 22.059 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.579 43.291 20.823 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.882 43.423 22.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.678 44.568 21.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.598 42.663 19.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.835 41.532 21.126 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.800 43.802 20.643 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.928 42.296 19.757 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.759 42.339 22.797 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.290 42.516 21.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.986 40.232 22.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.752 40.410 20.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.415 40.221 21.796 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.916 44.392 22.721 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.105 45.449 23.303 1.00 0.00 C ATOM 1229 C GLY A 75 -6.687 45.915 24.640 1.00 0.00 C ATOM 1230 O GLY A 75 -7.835 46.351 24.701 1.00 0.00 O ATOM 0 H GLY A 75 -6.416 43.522 22.537 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.086 45.091 23.451 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.050 46.291 22.613 1.00 0.00 H new ATOM 1234 N TYR A 76 -5.869 45.804 25.675 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.288 46.209 27.007 1.00 0.00 C ATOM 1236 C TYR A 76 -6.192 47.727 27.174 1.00 0.00 C ATOM 1237 O TYR A 76 -5.855 48.439 26.230 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.315 45.538 27.977 1.00 0.00 C ATOM 1239 CG TYR A 76 -5.987 44.609 28.990 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.106 43.887 28.628 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -5.475 44.493 30.266 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -7.738 43.013 29.581 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -6.108 43.619 31.220 1.00 0.00 C ATOM 1244 CZ TYR A 76 -7.208 42.922 30.830 1.00 0.00 C ATOM 1245 OH TYR A 76 -7.807 42.096 31.731 1.00 0.00 O ATOM 0 H TYR A 76 -4.918 45.440 25.619 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.324 45.921 27.188 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.584 44.967 27.405 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.765 46.310 28.516 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.508 43.978 27.630 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.599 45.058 30.550 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.614 42.442 29.310 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.718 43.520 32.222 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.320 42.131 32.581 1.00 0.00 H new ATOM 1255 N PRO A 77 -6.502 48.189 28.415 1.00 0.00 N ATOM 1256 CA PRO A 77 -6.454 49.609 28.719 1.00 0.00 C ATOM 1257 C PRO A 77 -5.009 50.090 28.863 1.00 0.00 C ATOM 1258 O PRO A 77 -4.082 49.282 28.899 1.00 0.00 O ATOM 1259 CB PRO A 77 -7.263 49.765 29.997 1.00 0.00 C ATOM 1260 CG PRO A 77 -7.342 48.379 30.613 1.00 0.00 C ATOM 1261 CD PRO A 77 -6.906 47.374 29.558 1.00 0.00 C ATOM 0 HA PRO A 77 -6.871 50.225 27.922 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.784 50.468 30.678 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.258 50.155 29.784 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.699 48.314 31.491 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.358 48.167 30.946 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.082 46.757 29.916 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.719 46.698 29.295 1.00 0.00 H new ATOM 1269 N GLY A 78 -4.862 51.404 28.943 1.00 0.00 N ATOM 1270 CA GLY A 78 -3.545 52.002 29.083 1.00 0.00 C ATOM 1271 C GLY A 78 -2.824 51.459 30.318 1.00 0.00 C ATOM 1272 O GLY A 78 -3.431 50.786 31.149 1.00 0.00 O ATOM 0 H GLY A 78 -5.633 52.071 28.914 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.952 51.797 28.192 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.640 53.085 29.160 1.00 0.00 H new ATOM 1276 N ARG A 79 -1.540 51.774 30.401 1.00 0.00 N ATOM 1277 CA ARG A 79 -0.730 51.326 31.520 1.00 0.00 C ATOM 1278 C ARG A 79 -0.451 49.827 31.407 1.00 0.00 C ATOM 1279 O ARG A 79 0.116 49.226 32.320 1.00 0.00 O ATOM 1280 CB ARG A 79 -1.428 51.609 32.853 1.00 0.00 C ATOM 1281 CG ARG A 79 -0.540 52.453 33.769 1.00 0.00 C ATOM 1282 CD ARG A 79 -0.968 53.922 33.745 1.00 0.00 C ATOM 1283 NE ARG A 79 -2.394 54.040 34.127 1.00 0.00 N ATOM 1284 CZ ARG A 79 -2.828 54.171 35.398 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -1.950 54.203 36.423 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -4.126 54.267 35.625 1.00 0.00 N ATOM 0 H ARG A 79 -1.040 52.335 29.711 1.00 0.00 H new ATOM 0 HA ARG A 79 0.210 51.877 31.490 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.368 52.130 32.672 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.674 50.668 33.345 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.595 52.071 34.788 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.500 52.368 33.453 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.350 54.501 34.431 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.814 54.338 32.749 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.092 54.021 33.383 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.949 54.128 36.240 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.287 54.302 37.380 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.783 54.242 34.845 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.471 54.367 36.580 1.00 0.00 H new ATOM 1299 N VAL A 80 -0.861 49.264 30.280 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.661 47.845 30.036 1.00 0.00 C ATOM 1301 C VAL A 80 -0.086 47.650 28.631 1.00 0.00 C ATOM 1302 O VAL A 80 1.125 47.510 28.467 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.972 47.087 30.256 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.907 45.690 29.636 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -2.319 47.012 31.744 1.00 0.00 C ATOM 0 H VAL A 80 -1.331 49.764 29.526 1.00 0.00 H new ATOM 0 HA VAL A 80 0.060 47.433 30.742 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.767 47.639 29.755 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.851 45.172 29.806 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.728 45.776 28.564 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.095 45.126 30.095 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.255 46.468 31.872 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.522 46.494 32.278 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.427 48.020 32.144 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.981 47.648 27.655 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.577 47.473 26.271 1.00 0.00 C ATOM 1317 C VAL A 81 0.423 48.567 25.893 1.00 0.00 C ATOM 1318 O VAL A 81 1.396 48.307 25.186 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.810 47.449 25.365 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.431 47.066 23.933 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.882 46.510 25.920 1.00 0.00 C ATOM 0 H VAL A 81 -1.985 47.765 27.795 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.074 46.515 26.138 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.228 48.455 25.342 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.325 47.056 23.310 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.721 47.793 23.538 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.976 46.076 23.930 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.747 46.512 25.256 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.480 45.499 25.989 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.184 46.848 26.911 1.00 0.00 H new ATOM 1331 N GLU A 82 0.148 49.768 26.379 1.00 0.00 N ATOM 1332 CA GLU A 82 1.012 50.903 26.101 1.00 0.00 C ATOM 1333 C GLU A 82 2.454 50.582 26.499 1.00 0.00 C ATOM 1334 O GLU A 82 3.392 51.202 25.999 1.00 0.00 O ATOM 1335 CB GLU A 82 0.512 52.160 26.816 1.00 0.00 C ATOM 1336 CG GLU A 82 1.325 53.387 26.400 1.00 0.00 C ATOM 1337 CD GLU A 82 0.549 54.678 26.671 1.00 0.00 C ATOM 1338 OE1 GLU A 82 0.028 54.865 27.782 1.00 0.00 O ATOM 1339 OE2 GLU A 82 0.498 55.503 25.682 1.00 0.00 O ATOM 0 H GLU A 82 -0.661 49.980 26.963 1.00 0.00 H new ATOM 0 HA GLU A 82 0.987 51.100 25.029 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.541 52.321 26.583 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.582 52.021 27.895 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.268 53.404 26.946 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.571 53.322 25.340 1.00 0.00 H new ATOM 1347 N ILE A 83 2.586 49.616 27.395 1.00 0.00 N ATOM 1348 CA ILE A 83 3.898 49.206 27.867 1.00 0.00 C ATOM 1349 C ILE A 83 4.409 48.052 27.002 1.00 0.00 C ATOM 1350 O ILE A 83 5.606 47.949 26.741 1.00 0.00 O ATOM 1351 CB ILE A 83 3.855 48.882 29.361 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.373 50.089 30.170 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.209 48.367 29.850 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.439 49.654 31.301 1.00 0.00 C ATOM 0 H ILE A 83 1.806 49.105 27.807 1.00 0.00 H new ATOM 0 HA ILE A 83 4.611 50.024 27.763 1.00 0.00 H new ATOM 0 HB ILE A 83 3.132 48.081 29.516 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.230 50.619 30.585 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.854 50.787 29.513 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.150 48.144 30.915 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.473 47.461 29.304 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.971 49.128 29.680 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.111 50.531 31.860 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.571 49.146 30.881 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.968 48.975 31.969 1.00 0.00 H new ATOM 1366 N ILE A 84 3.474 47.213 26.581 1.00 0.00 N ATOM 1367 CA ILE A 84 3.813 46.070 25.750 1.00 0.00 C ATOM 1368 C ILE A 84 4.125 46.550 24.331 1.00 0.00 C ATOM 1369 O ILE A 84 5.005 46.005 23.667 1.00 0.00 O ATOM 1370 CB ILE A 84 2.707 45.014 25.813 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.310 44.722 27.262 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.117 43.745 25.063 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.239 43.631 27.326 1.00 0.00 C ATOM 0 H ILE A 84 2.482 47.302 26.800 1.00 0.00 H new ATOM 0 HA ILE A 84 4.711 45.580 26.126 1.00 0.00 H new ATOM 0 HB ILE A 84 1.825 45.412 25.312 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.188 44.409 27.828 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.936 45.632 27.731 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.313 43.011 25.123 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.310 43.986 24.018 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.020 43.332 25.513 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.974 43.442 28.366 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.354 43.957 26.780 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.625 42.715 26.878 1.00 0.00 H new ATOM 1385 N ASN A 85 3.386 47.565 23.909 1.00 0.00 N ATOM 1386 CA ASN A 85 3.573 48.125 22.581 1.00 0.00 C ATOM 1387 C ASN A 85 5.041 48.515 22.398 1.00 0.00 C ATOM 1388 O ASN A 85 5.567 48.459 21.288 1.00 0.00 O ATOM 1389 CB ASN A 85 2.723 49.382 22.389 1.00 0.00 C ATOM 1390 CG ASN A 85 2.361 49.580 20.916 1.00 0.00 C ATOM 1391 OD1 ASN A 85 2.608 48.736 20.071 1.00 0.00 O ATOM 1392 ND2 ASN A 85 1.762 50.739 20.657 1.00 0.00 N ATOM 0 H ASN A 85 2.657 48.014 24.463 1.00 0.00 H new ATOM 0 HA ASN A 85 3.273 47.372 21.853 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.813 49.304 22.983 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.268 50.253 22.753 1.00 0.00 H new ATOM 0 HD21 ASN A 85 1.480 50.965 19.703 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.585 51.401 21.412 1.00 0.00 H new ATOM 1399 N ILE A 86 5.661 48.898 23.504 1.00 0.00 N ATOM 1400 CA ILE A 86 7.058 49.296 23.480 1.00 0.00 C ATOM 1401 C ILE A 86 7.922 48.088 23.113 1.00 0.00 C ATOM 1402 O ILE A 86 8.937 48.229 22.435 1.00 0.00 O ATOM 1403 CB ILE A 86 7.451 49.954 24.805 1.00 0.00 C ATOM 1404 CG1 ILE A 86 6.879 51.369 24.904 1.00 0.00 C ATOM 1405 CG2 ILE A 86 8.968 49.933 24.998 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.588 51.742 26.359 1.00 0.00 C ATOM 0 H ILE A 86 5.221 48.941 24.423 1.00 0.00 H new ATOM 0 HA ILE A 86 7.225 50.053 22.713 1.00 0.00 H new ATOM 0 HB ILE A 86 7.016 49.373 25.618 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.585 52.081 24.476 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.963 51.437 24.317 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.221 50.406 25.947 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.320 48.901 25.002 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.446 50.476 24.183 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.182 52.753 26.401 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.864 51.042 26.776 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.511 51.697 26.938 1.00 0.00 H new ATOM 1418 N LEU A 87 7.486 46.926 23.579 1.00 0.00 N ATOM 1419 CA LEU A 87 8.207 45.694 23.309 1.00 0.00 C ATOM 1420 C LEU A 87 7.990 45.291 21.849 1.00 0.00 C ATOM 1421 O LEU A 87 8.929 44.884 21.167 1.00 0.00 O ATOM 1422 CB LEU A 87 7.808 44.609 24.311 1.00 0.00 C ATOM 1423 CG LEU A 87 7.763 45.036 25.780 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.201 43.918 26.659 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.139 45.505 26.257 1.00 0.00 C ATOM 0 H LEU A 87 6.643 46.812 24.142 1.00 0.00 H new ATOM 0 HA LEU A 87 9.278 45.842 23.444 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.825 44.230 24.033 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.508 43.779 24.216 1.00 0.00 H new ATOM 0 HG LEU A 87 7.086 45.885 25.868 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.180 44.248 27.698 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.189 43.674 26.335 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.833 43.034 26.572 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.079 45.803 27.304 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.857 44.692 26.151 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.462 46.355 25.656 1.00 0.00 H new ATOM 1437 N VAL A 88 6.745 45.419 21.411 1.00 0.00 N ATOM 1438 CA VAL A 88 6.394 45.073 20.044 1.00 0.00 C ATOM 1439 C VAL A 88 7.115 46.019 19.082 1.00 0.00 C ATOM 1440 O VAL A 88 7.773 45.571 18.144 1.00 0.00 O ATOM 1441 CB VAL A 88 4.874 45.093 19.875 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.487 45.176 18.397 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.230 43.876 20.543 1.00 0.00 C ATOM 0 H VAL A 88 5.968 45.757 21.979 1.00 0.00 H new ATOM 0 HA VAL A 88 6.721 44.060 19.809 1.00 0.00 H new ATOM 0 HB VAL A 88 4.495 45.986 20.371 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.401 45.189 18.305 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.898 46.088 17.964 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.886 44.311 17.867 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.149 43.916 20.407 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.619 42.964 20.090 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.462 43.880 21.608 1.00 0.00 H new ATOM 1453 N LYS A 89 6.967 47.308 19.348 1.00 0.00 N ATOM 1454 CA LYS A 89 7.596 48.320 18.516 1.00 0.00 C ATOM 1455 C LYS A 89 9.116 48.160 18.588 1.00 0.00 C ATOM 1456 O LYS A 89 9.843 48.729 17.775 1.00 0.00 O ATOM 1457 CB LYS A 89 7.106 49.716 18.908 1.00 0.00 C ATOM 1458 CG LYS A 89 6.745 50.537 17.668 1.00 0.00 C ATOM 1459 CD LYS A 89 5.249 50.440 17.362 1.00 0.00 C ATOM 1460 CE LYS A 89 4.700 51.784 16.879 1.00 0.00 C ATOM 1461 NZ LYS A 89 4.339 52.641 18.030 1.00 0.00 N ATOM 0 H LYS A 89 6.421 47.675 20.127 1.00 0.00 H new ATOM 0 HA LYS A 89 7.310 48.188 17.473 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.236 49.631 19.559 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.880 50.231 19.477 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.021 51.580 17.825 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.319 50.181 16.812 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.078 49.679 16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.711 50.123 18.256 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.445 52.287 16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.824 51.621 16.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.968 53.549 17.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.612 52.166 18.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.183 52.811 18.614 1.00 0.00 H new ATOM 1474 N ASN A 90 9.552 47.384 19.570 1.00 0.00 N ATOM 1475 CA ASN A 90 10.972 47.141 19.759 1.00 0.00 C ATOM 1476 C ASN A 90 11.445 46.094 18.749 1.00 0.00 C ATOM 1477 O ASN A 90 12.243 46.396 17.863 1.00 0.00 O ATOM 1478 CB ASN A 90 11.258 46.608 21.164 1.00 0.00 C ATOM 1479 CG ASN A 90 12.378 47.404 21.836 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.460 46.904 22.098 1.00 0.00 O ATOM 1481 ND2 ASN A 90 12.059 48.668 22.100 1.00 0.00 N ATOM 0 H ASN A 90 8.946 46.915 20.243 1.00 0.00 H new ATOM 0 HA ASN A 90 11.497 48.086 19.619 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.353 46.665 21.769 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.538 45.556 21.108 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.739 49.283 22.548 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.135 49.023 21.854 1.00 0.00 H new