USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot -36:sc= 0.257 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.219 K(o=-0.98,f=-2.7) USER MOD Set 2.2: A 39 CYS SG : rot 180:sc= -0.76 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 175:sc= 0 (180deg=-0.026) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0991 K(o=0.099,f=-1.8!) USER MOD Single : A 46 MET CE :methyl -133:sc=-0.00337 (180deg=-1.69!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00824) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 175:sc= 0.0268 USER MOD Single : A 62 GLN : amide:sc= -0.239 K(o=-0.24,f=-1) USER MOD Single : A 64 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-0.66) USER MOD Single : A 65 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.15) USER MOD Single : A 66 GLN : amide:sc= -0.544 K(o=-0.54,f=0.083) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -170:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.22! C(o=-2.2!,f=-3.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 81 GLN : amide:sc=-0.00883 K(o=-0.0088,f=-1.1) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.62! C(o=-2.6!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 6.990 8.024 3.762 1.00 0.00 N ATOM 398 CA GLU A 28 5.751 8.695 4.138 1.00 0.00 C ATOM 399 C GLU A 28 4.895 8.986 2.908 1.00 0.00 C ATOM 400 O GLU A 28 5.267 9.794 2.057 1.00 0.00 O ATOM 401 CB GLU A 28 6.055 9.997 4.881 1.00 0.00 C ATOM 402 CG GLU A 28 4.904 10.490 5.742 1.00 0.00 C ATOM 403 CD GLU A 28 4.906 9.872 7.127 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.002 9.545 7.629 1.00 0.00 O ATOM 405 OE2 GLU A 28 3.812 9.715 7.709 1.00 0.00 O ATOM 0 HA GLU A 28 5.194 8.030 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.932 9.849 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.311 10.769 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.961 11.575 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.960 10.260 5.247 1.00 0.00 H new ATOM 412 N TRP A 29 3.748 8.323 2.823 1.00 0.00 N ATOM 413 CA TRP A 29 2.839 8.509 1.697 1.00 0.00 C ATOM 414 C TRP A 29 1.726 9.488 2.054 1.00 0.00 C ATOM 415 O TRP A 29 1.008 9.294 3.034 1.00 0.00 O ATOM 416 CB TRP A 29 2.239 7.168 1.272 1.00 0.00 C ATOM 417 CG TRP A 29 3.183 6.321 0.474 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.290 5.668 0.937 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.105 6.038 -0.928 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.904 4.996 -0.092 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.196 5.207 -1.246 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.218 6.405 -1.944 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.423 4.738 -2.538 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.445 5.939 -3.225 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.539 5.113 -3.513 1.00 0.00 C ATOM 0 H TRP A 29 3.425 7.652 3.520 1.00 0.00 H new ATOM 0 HA TRP A 29 3.409 8.923 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.932 6.618 2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.340 7.351 0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.632 5.678 1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.750 4.432 -0.010 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.371 7.041 -1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.266 4.101 -2.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.767 6.217 -4.018 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.688 4.765 -4.525 1.00 0.00 H new ATOM 436 N GLN A 30 1.588 10.539 1.251 1.00 0.00 N ATOM 437 CA GLN A 30 0.561 11.548 1.483 1.00 0.00 C ATOM 438 C GLN A 30 -0.312 11.730 0.247 1.00 0.00 C ATOM 439 O GLN A 30 0.111 11.441 -0.873 1.00 0.00 O ATOM 440 CB GLN A 30 1.205 12.881 1.870 1.00 0.00 C ATOM 441 CG GLN A 30 2.424 12.731 2.765 1.00 0.00 C ATOM 442 CD GLN A 30 3.327 13.948 2.730 1.00 0.00 C ATOM 443 OE1 GLN A 30 3.733 14.404 1.661 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.645 14.483 3.903 1.00 0.00 N ATOM 0 H GLN A 30 2.174 10.714 0.435 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.071 11.206 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.494 13.412 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.465 13.498 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.098 12.555 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.991 11.853 2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.286 14.072 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.248 15.305 3.942 1.00 0.00 H new ATOM 453 N TYR A 31 -1.532 12.211 0.456 1.00 0.00 N ATOM 454 CA TYR A 31 -2.467 12.430 -0.642 1.00 0.00 C ATOM 455 C TYR A 31 -2.923 13.885 -0.687 1.00 0.00 C ATOM 456 O TYR A 31 -3.156 14.507 0.350 1.00 0.00 O ATOM 457 CB TYR A 31 -3.679 11.508 -0.498 1.00 0.00 C ATOM 458 CG TYR A 31 -4.528 11.809 0.716 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.068 11.526 1.997 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.790 12.374 0.584 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.840 11.798 3.110 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.568 12.650 1.692 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.089 12.361 2.952 1.00 0.00 C ATOM 464 OH TYR A 31 -6.862 12.633 4.057 1.00 0.00 O ATOM 0 H TYR A 31 -1.897 12.457 1.376 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.953 12.201 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.296 11.591 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.335 10.475 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.090 11.086 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.170 12.601 -0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.468 11.571 4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.547 13.090 1.572 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.712 13.029 3.772 1.00 0.00 H new ATOM 474 N ILE A 32 -3.047 14.421 -1.897 1.00 0.00 N ATOM 475 CA ILE A 32 -3.477 15.802 -2.079 1.00 0.00 C ATOM 476 C ILE A 32 -4.987 15.887 -2.272 1.00 0.00 C ATOM 477 O ILE A 32 -5.513 15.492 -3.313 1.00 0.00 O ATOM 478 CB ILE A 32 -2.778 16.454 -3.287 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.354 16.871 -2.916 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.576 17.653 -3.776 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.318 15.806 -3.203 1.00 0.00 C ATOM 0 H ILE A 32 -2.856 13.920 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.199 16.341 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.724 15.724 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.094 17.776 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.322 17.121 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.070 18.103 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.573 17.329 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.658 18.387 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.668 16.171 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.553 14.907 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.322 15.572 -4.268 1.00 0.00 H new ATOM 493 N ASP A 33 -5.678 16.407 -1.264 1.00 0.00 N ATOM 494 CA ASP A 33 -7.129 16.547 -1.324 1.00 0.00 C ATOM 495 C ASP A 33 -7.527 17.687 -2.256 1.00 0.00 C ATOM 496 O ASP A 33 -6.688 18.491 -2.665 1.00 0.00 O ATOM 497 CB ASP A 33 -7.697 16.794 0.075 1.00 0.00 C ATOM 498 CG ASP A 33 -9.193 17.035 0.058 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.954 16.045 0.040 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.604 18.214 0.063 1.00 0.00 O ATOM 0 H ASP A 33 -5.258 16.739 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.543 15.619 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.477 15.936 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.198 17.655 0.520 1.00 0.00 H new ATOM 505 N LYS A 34 -8.811 17.750 -2.591 1.00 0.00 N ATOM 506 CA LYS A 34 -9.322 18.790 -3.476 1.00 0.00 C ATOM 507 C LYS A 34 -8.516 20.077 -3.324 1.00 0.00 C ATOM 508 O LYS A 34 -7.762 20.457 -4.219 1.00 0.00 O ATOM 509 CB LYS A 34 -10.798 19.062 -3.178 1.00 0.00 C ATOM 510 CG LYS A 34 -11.685 17.839 -3.331 1.00 0.00 C ATOM 511 CD LYS A 34 -12.250 17.732 -4.737 1.00 0.00 C ATOM 512 CE LYS A 34 -13.346 18.760 -4.976 1.00 0.00 C ATOM 513 NZ LYS A 34 -14.655 18.314 -4.424 1.00 0.00 N ATOM 0 H LYS A 34 -9.518 17.092 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.224 18.439 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.890 19.442 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.156 19.846 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.112 16.941 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.503 17.889 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.450 17.875 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.649 16.730 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.062 19.707 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.446 18.942 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.375 19.042 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.939 17.423 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.567 18.165 -3.399 1.00 0.00 H new ATOM 527 N ASN A 35 -8.680 20.742 -2.185 1.00 0.00 N ATOM 528 CA ASN A 35 -7.967 21.985 -1.916 1.00 0.00 C ATOM 529 C ASN A 35 -7.141 21.873 -0.638 1.00 0.00 C ATOM 530 O ASN A 35 -6.718 22.881 -0.071 1.00 0.00 O ATOM 531 CB ASN A 35 -8.955 23.148 -1.798 1.00 0.00 C ATOM 532 CG ASN A 35 -8.299 24.491 -2.056 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.106 24.566 -2.350 1.00 0.00 O ATOM 534 ND2 ASN A 35 -9.079 25.561 -1.947 1.00 0.00 N ATOM 0 H ASN A 35 -9.300 20.441 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.290 22.175 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.770 23.002 -2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.396 23.147 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.694 26.491 -2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.063 25.452 -1.701 1.00 0.00 H new ATOM 541 N ILE A 36 -6.916 20.642 -0.191 1.00 0.00 N ATOM 542 CA ILE A 36 -6.140 20.399 1.018 1.00 0.00 C ATOM 543 C ILE A 36 -5.090 19.317 0.789 1.00 0.00 C ATOM 544 O ILE A 36 -5.249 18.455 -0.076 1.00 0.00 O ATOM 545 CB ILE A 36 -7.044 19.981 2.193 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.144 21.021 2.413 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.218 19.799 3.458 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.372 20.793 1.559 1.00 0.00 C ATOM 0 H ILE A 36 -7.260 19.798 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.644 21.337 1.268 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.514 19.028 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.435 21.013 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.743 22.012 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.871 19.504 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.468 19.025 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.723 20.737 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.110 21.568 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.095 20.831 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.798 19.816 1.787 1.00 0.00 H new ATOM 560 N THR A 37 -4.016 19.367 1.571 1.00 0.00 N ATOM 561 CA THR A 37 -2.940 18.391 1.455 1.00 0.00 C ATOM 562 C THR A 37 -2.734 17.640 2.765 1.00 0.00 C ATOM 563 O THR A 37 -2.081 18.140 3.681 1.00 0.00 O ATOM 564 CB THR A 37 -1.615 19.063 1.048 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.825 19.916 -0.083 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.560 18.019 0.713 1.00 0.00 C ATOM 0 H THR A 37 -3.868 20.074 2.292 1.00 0.00 H new ATOM 0 HA THR A 37 -3.236 17.686 0.678 1.00 0.00 H new ATOM 0 HB THR A 37 -1.261 19.658 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.978 20.341 -0.334 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.367 18.517 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.381 17.390 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.909 17.402 -0.115 1.00 0.00 H new ATOM 574 N GLN A 38 -3.295 16.438 2.848 1.00 0.00 N ATOM 575 CA GLN A 38 -3.173 15.619 4.048 1.00 0.00 C ATOM 576 C GLN A 38 -2.271 14.415 3.795 1.00 0.00 C ATOM 577 O GLN A 38 -1.793 14.209 2.679 1.00 0.00 O ATOM 578 CB GLN A 38 -4.552 15.150 4.513 1.00 0.00 C ATOM 579 CG GLN A 38 -5.468 16.284 4.942 1.00 0.00 C ATOM 580 CD GLN A 38 -5.037 16.922 6.247 1.00 0.00 C ATOM 581 OE1 GLN A 38 -5.299 16.392 7.327 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.370 18.067 6.155 1.00 0.00 N ATOM 0 H GLN A 38 -3.838 16.010 2.099 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.722 16.229 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.029 14.595 3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.429 14.458 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.489 17.044 4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.485 15.905 5.046 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.174 18.471 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.053 18.542 7.000 1.00 0.00 H new ATOM 591 N CYS A 39 -2.043 13.624 4.838 1.00 0.00 N ATOM 592 CA CYS A 39 -1.197 12.441 4.729 1.00 0.00 C ATOM 593 C CYS A 39 -1.970 11.183 5.112 1.00 0.00 C ATOM 594 O CYS A 39 -3.023 11.258 5.746 1.00 0.00 O ATOM 595 CB CYS A 39 0.037 12.587 5.620 1.00 0.00 C ATOM 596 SG CYS A 39 0.852 14.196 5.495 1.00 0.00 S ATOM 0 H CYS A 39 -2.432 13.780 5.768 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.877 12.347 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.255 12.419 6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.754 11.808 5.360 1.00 0.00 H new ATOM 0 HG CYS A 39 1.883 14.223 6.287 1.00 0.00 H new ATOM 602 N PHE A 40 -1.441 10.028 4.722 1.00 0.00 N ATOM 603 CA PHE A 40 -2.083 8.753 5.022 1.00 0.00 C ATOM 604 C PHE A 40 -1.779 8.315 6.452 1.00 0.00 C ATOM 605 O PHE A 40 -0.992 8.951 7.153 1.00 0.00 O ATOM 606 CB PHE A 40 -1.617 7.679 4.037 1.00 0.00 C ATOM 607 CG PHE A 40 -2.230 7.810 2.673 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.592 7.633 2.491 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.445 8.110 1.571 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.159 7.752 1.236 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.006 8.231 0.314 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.365 8.053 0.147 1.00 0.00 C ATOM 0 H PHE A 40 -0.570 9.948 4.198 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.160 8.884 4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.532 7.728 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.859 6.696 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.218 7.399 3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.382 8.251 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.222 7.610 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.383 8.464 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.806 8.149 -0.834 1.00 0.00 H new ATOM 622 N ASP A 41 -2.409 7.226 6.877 1.00 0.00 N ATOM 623 CA ASP A 41 -2.207 6.701 8.222 1.00 0.00 C ATOM 624 C ASP A 41 -0.958 5.828 8.283 1.00 0.00 C ATOM 625 O ASP A 41 -0.274 5.632 7.277 1.00 0.00 O ATOM 626 CB ASP A 41 -3.429 5.897 8.668 1.00 0.00 C ATOM 627 CG ASP A 41 -4.524 6.776 9.239 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.314 7.355 10.326 1.00 0.00 O ATOM 629 OD2 ASP A 41 -5.591 6.886 8.599 1.00 0.00 O ATOM 0 H ASP A 41 -3.064 6.689 6.309 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.071 7.545 8.898 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.822 5.338 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.126 5.166 9.418 1.00 0.00 H new ATOM 634 N LYS A 42 -0.665 5.305 9.469 1.00 0.00 N ATOM 635 CA LYS A 42 0.502 4.452 9.662 1.00 0.00 C ATOM 636 C LYS A 42 0.314 3.107 8.967 1.00 0.00 C ATOM 637 O LYS A 42 1.268 2.528 8.447 1.00 0.00 O ATOM 638 CB LYS A 42 0.759 4.235 11.155 1.00 0.00 C ATOM 639 CG LYS A 42 -0.348 3.467 11.857 1.00 0.00 C ATOM 640 CD LYS A 42 0.090 2.989 13.231 1.00 0.00 C ATOM 641 CE LYS A 42 -1.096 2.536 14.068 1.00 0.00 C ATOM 642 NZ LYS A 42 -0.814 2.628 15.527 1.00 0.00 N ATOM 0 H LYS A 42 -1.220 5.457 10.311 1.00 0.00 H new ATOM 0 HA LYS A 42 1.364 4.952 9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.699 3.696 11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.881 5.204 11.639 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.228 4.103 11.955 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.640 2.611 11.249 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.796 2.166 13.123 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.615 3.793 13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.965 3.148 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.349 1.507 13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.647 2.310 16.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.000 2.024 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.597 3.614 15.777 1.00 0.00 H new ATOM 656 N MET A 43 -0.921 2.617 8.960 1.00 0.00 N ATOM 657 CA MET A 43 -1.234 1.342 8.326 1.00 0.00 C ATOM 658 C MET A 43 -1.348 1.500 6.813 1.00 0.00 C ATOM 659 O MET A 43 -0.892 0.646 6.052 1.00 0.00 O ATOM 660 CB MET A 43 -2.536 0.772 8.891 1.00 0.00 C ATOM 661 CG MET A 43 -3.740 1.675 8.671 1.00 0.00 C ATOM 662 SD MET A 43 -5.301 0.852 9.039 1.00 0.00 S ATOM 663 CE MET A 43 -5.216 0.748 10.825 1.00 0.00 C ATOM 0 H MET A 43 -1.722 3.084 9.386 1.00 0.00 H new ATOM 0 HA MET A 43 -0.420 0.649 8.541 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.729 -0.197 8.430 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.413 0.598 9.960 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.644 2.561 9.298 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.749 2.017 7.636 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.151 0.342 11.211 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.391 0.096 11.113 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.054 1.743 11.240 1.00 0.00 H new ATOM 673 N THR A 44 -1.961 2.599 6.382 1.00 0.00 N ATOM 674 CA THR A 44 -2.136 2.869 4.961 1.00 0.00 C ATOM 675 C THR A 44 -0.823 3.297 4.316 1.00 0.00 C ATOM 676 O THR A 44 -0.553 2.970 3.161 1.00 0.00 O ATOM 677 CB THR A 44 -3.193 3.964 4.723 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.394 3.649 5.436 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.500 4.107 3.240 1.00 0.00 C ATOM 0 H THR A 44 -2.344 3.316 6.998 1.00 0.00 H new ATOM 0 HA THR A 44 -2.476 1.940 4.503 1.00 0.00 H new ATOM 0 HB THR A 44 -2.792 4.910 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.060 4.351 5.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.249 4.886 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.590 4.376 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.882 3.162 2.855 1.00 0.00 H new ATOM 687 N ASN A 45 -0.010 4.029 5.071 1.00 0.00 N ATOM 688 CA ASN A 45 1.276 4.501 4.572 1.00 0.00 C ATOM 689 C ASN A 45 2.036 3.377 3.875 1.00 0.00 C ATOM 690 O ASN A 45 2.588 3.565 2.791 1.00 0.00 O ATOM 691 CB ASN A 45 2.116 5.065 5.720 1.00 0.00 C ATOM 692 CG ASN A 45 3.596 5.105 5.388 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.002 5.678 4.377 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.409 4.493 6.241 1.00 0.00 N ATOM 0 H ASN A 45 -0.219 4.308 6.030 1.00 0.00 H new ATOM 0 HA ASN A 45 1.087 5.292 3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.772 6.072 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.963 4.457 6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.415 4.485 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.028 4.031 7.066 1.00 0.00 H new ATOM 701 N MET A 46 2.060 2.207 4.506 1.00 0.00 N ATOM 702 CA MET A 46 2.751 1.051 3.946 1.00 0.00 C ATOM 703 C MET A 46 1.931 0.417 2.827 1.00 0.00 C ATOM 704 O MET A 46 2.476 -0.017 1.812 1.00 0.00 O ATOM 705 CB MET A 46 3.030 0.018 5.039 1.00 0.00 C ATOM 706 CG MET A 46 1.872 -0.936 5.283 1.00 0.00 C ATOM 707 SD MET A 46 2.182 -2.071 6.649 1.00 0.00 S ATOM 708 CE MET A 46 1.845 -1.011 8.053 1.00 0.00 C ATOM 0 H MET A 46 1.609 2.035 5.405 1.00 0.00 H new ATOM 0 HA MET A 46 3.699 1.392 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.914 -0.559 4.766 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.264 0.538 5.968 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.970 -0.360 5.492 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.681 -1.509 4.376 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.645 -1.112 8.786 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.787 0.025 7.721 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.898 -1.300 8.508 1.00 0.00 H new ATOM 718 N LYS A 47 0.617 0.366 3.019 1.00 0.00 N ATOM 719 CA LYS A 47 -0.280 -0.215 2.027 1.00 0.00 C ATOM 720 C LYS A 47 0.007 0.349 0.639 1.00 0.00 C ATOM 721 O LYS A 47 -0.262 -0.299 -0.373 1.00 0.00 O ATOM 722 CB LYS A 47 -1.738 0.055 2.407 1.00 0.00 C ATOM 723 CG LYS A 47 -2.251 -0.842 3.520 1.00 0.00 C ATOM 724 CD LYS A 47 -3.744 -0.662 3.737 1.00 0.00 C ATOM 725 CE LYS A 47 -4.178 -1.189 5.097 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.262 -2.675 5.115 1.00 0.00 N ATOM 0 H LYS A 47 0.149 0.720 3.853 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.110 -1.291 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.838 1.096 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.365 -0.078 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.041 -1.883 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.718 -0.618 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.999 0.395 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.292 -1.183 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.472 -0.856 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.149 -0.767 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.561 -2.994 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.954 -2.992 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.330 -3.078 4.892 1.00 0.00 H new ATOM 740 N LEU A 48 0.555 1.559 0.598 1.00 0.00 N ATOM 741 CA LEU A 48 0.880 2.209 -0.666 1.00 0.00 C ATOM 742 C LEU A 48 2.312 1.896 -1.088 1.00 0.00 C ATOM 743 O LEU A 48 2.546 1.355 -2.167 1.00 0.00 O ATOM 744 CB LEU A 48 0.690 3.723 -0.547 1.00 0.00 C ATOM 745 CG LEU A 48 -0.695 4.193 -0.101 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.634 5.623 0.412 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.692 4.076 -1.245 1.00 0.00 C ATOM 0 H LEU A 48 0.783 2.109 1.426 1.00 0.00 H new ATOM 0 HA LEU A 48 0.204 1.823 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.427 4.107 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.910 4.174 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.031 3.551 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.629 5.940 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.047 5.676 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.277 6.279 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.672 4.415 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.361 4.693 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.758 3.036 -1.566 1.00 0.00 H new ATOM 759 N GLU A 49 3.265 2.239 -0.227 1.00 0.00 N ATOM 760 CA GLU A 49 4.674 1.993 -0.510 1.00 0.00 C ATOM 761 C GLU A 49 4.894 0.552 -0.960 1.00 0.00 C ATOM 762 O GLU A 49 5.713 0.283 -1.840 1.00 0.00 O ATOM 763 CB GLU A 49 5.525 2.289 0.727 1.00 0.00 C ATOM 764 CG GLU A 49 5.580 1.137 1.717 1.00 0.00 C ATOM 765 CD GLU A 49 6.674 0.139 1.390 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.131 0.121 0.228 1.00 0.00 O ATOM 767 OE2 GLU A 49 7.072 -0.624 2.295 1.00 0.00 O ATOM 0 H GLU A 49 3.087 2.688 0.672 1.00 0.00 H new ATOM 0 HA GLU A 49 4.978 2.658 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.539 2.534 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.127 3.170 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.742 1.532 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.618 0.625 1.727 1.00 0.00 H new ATOM 774 N VAL A 50 4.159 -0.372 -0.350 1.00 0.00 N ATOM 775 CA VAL A 50 4.272 -1.785 -0.688 1.00 0.00 C ATOM 776 C VAL A 50 3.867 -2.039 -2.135 1.00 0.00 C ATOM 777 O VAL A 50 4.601 -2.672 -2.894 1.00 0.00 O ATOM 778 CB VAL A 50 3.401 -2.655 0.238 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.872 -2.538 1.680 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.937 -2.264 0.113 1.00 0.00 C ATOM 0 H VAL A 50 3.478 -0.167 0.381 1.00 0.00 H new ATOM 0 HA VAL A 50 5.318 -2.059 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 50 3.503 -3.696 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.245 -3.159 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.907 -2.871 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.802 -1.499 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.336 -2.889 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.815 -1.217 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.609 -2.405 -0.917 1.00 0.00 H new ATOM 790 N ALA A 51 2.694 -1.541 -2.511 1.00 0.00 N ATOM 791 CA ALA A 51 2.191 -1.712 -3.869 1.00 0.00 C ATOM 792 C ALA A 51 3.131 -1.073 -4.886 1.00 0.00 C ATOM 793 O ALA A 51 3.259 -1.553 -6.013 1.00 0.00 O ATOM 794 CB ALA A 51 0.795 -1.120 -3.993 1.00 0.00 C ATOM 0 H ALA A 51 2.074 -1.016 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 51 2.141 -2.780 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.432 -1.255 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.123 -1.624 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.829 -0.056 -3.757 1.00 0.00 H new ATOM 800 N TRP A 52 3.785 0.010 -4.482 1.00 0.00 N ATOM 801 CA TRP A 52 4.712 0.714 -5.360 1.00 0.00 C ATOM 802 C TRP A 52 5.985 -0.099 -5.572 1.00 0.00 C ATOM 803 O TRP A 52 6.559 -0.100 -6.661 1.00 0.00 O ATOM 804 CB TRP A 52 5.059 2.084 -4.775 1.00 0.00 C ATOM 805 CG TRP A 52 5.886 2.931 -5.695 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.476 4.042 -6.376 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.262 2.733 -6.037 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.515 4.547 -7.120 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.622 3.763 -6.928 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.226 1.788 -5.674 1.00 0.00 C ATOM 811 CZ2 TRP A 52 8.903 3.870 -7.462 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.497 1.897 -6.205 1.00 0.00 C ATOM 813 CH2 TRP A 52 9.827 2.932 -7.090 1.00 0.00 C ATOM 0 H TRP A 52 3.691 0.419 -3.553 1.00 0.00 H new ATOM 0 HA TRP A 52 4.226 0.851 -6.326 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.137 2.613 -4.536 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.598 1.945 -3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.482 4.462 -6.336 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.469 5.372 -7.718 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.982 0.988 -4.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.159 4.666 -8.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.249 1.172 -5.933 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.830 2.990 -7.486 1.00 0.00 H new ATOM 824 N LYS A 53 6.422 -0.790 -4.524 1.00 0.00 N ATOM 825 CA LYS A 53 7.626 -1.609 -4.596 1.00 0.00 C ATOM 826 C LYS A 53 7.330 -2.957 -5.245 1.00 0.00 C ATOM 827 O LYS A 53 8.176 -3.521 -5.938 1.00 0.00 O ATOM 828 CB LYS A 53 8.206 -1.822 -3.196 1.00 0.00 C ATOM 829 CG LYS A 53 8.767 -0.556 -2.571 1.00 0.00 C ATOM 830 CD LYS A 53 10.237 -0.371 -2.909 1.00 0.00 C ATOM 831 CE LYS A 53 11.114 -1.339 -2.131 1.00 0.00 C ATOM 832 NZ LYS A 53 11.293 -0.912 -0.716 1.00 0.00 N ATOM 0 H LYS A 53 5.960 -0.799 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 53 8.357 -1.083 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.428 -2.224 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.995 -2.572 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.201 0.306 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.644 -0.598 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.387 -0.521 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.537 0.653 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.668 -2.333 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.088 -1.414 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.951 -1.560 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.679 0.053 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.374 -0.930 -0.229 1.00 0.00 H new ATOM 846 N ALA A 54 6.123 -3.465 -5.018 1.00 0.00 N ATOM 847 CA ALA A 54 5.715 -4.745 -5.584 1.00 0.00 C ATOM 848 C ALA A 54 5.414 -4.615 -7.074 1.00 0.00 C ATOM 849 O ALA A 54 4.978 -5.571 -7.715 1.00 0.00 O ATOM 850 CB ALA A 54 4.502 -5.287 -4.844 1.00 0.00 C ATOM 0 H ALA A 54 5.411 -3.010 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 54 6.541 -5.446 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.209 -6.243 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.750 -5.426 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.677 -4.580 -4.932 1.00 0.00 H new ATOM 856 N LYS A 55 5.648 -3.426 -7.618 1.00 0.00 N ATOM 857 CA LYS A 55 5.402 -3.170 -9.033 1.00 0.00 C ATOM 858 C LYS A 55 3.924 -3.338 -9.367 1.00 0.00 C ATOM 859 O LYS A 55 3.571 -3.899 -10.405 1.00 0.00 O ATOM 860 CB LYS A 55 6.242 -4.115 -9.896 1.00 0.00 C ATOM 861 CG LYS A 55 7.738 -3.893 -9.762 1.00 0.00 C ATOM 862 CD LYS A 55 8.474 -4.262 -11.039 1.00 0.00 C ATOM 863 CE LYS A 55 9.777 -3.490 -11.174 1.00 0.00 C ATOM 864 NZ LYS A 55 10.346 -3.599 -12.546 1.00 0.00 N ATOM 0 H LYS A 55 6.008 -2.624 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 55 5.689 -2.140 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.010 -5.145 -9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.957 -3.990 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.931 -2.848 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.122 -4.489 -8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.682 -5.332 -11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.837 -4.057 -11.900 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.604 -2.441 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.499 -3.867 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.234 -3.059 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.535 -4.598 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.667 -3.216 -13.235 1.00 0.00 H new ATOM 878 N LYS A 56 3.062 -2.846 -8.483 1.00 0.00 N ATOM 879 CA LYS A 56 1.621 -2.939 -8.685 1.00 0.00 C ATOM 880 C LYS A 56 1.134 -1.849 -9.635 1.00 0.00 C ATOM 881 O LYS A 56 1.899 -0.970 -10.033 1.00 0.00 O ATOM 882 CB LYS A 56 0.890 -2.827 -7.345 1.00 0.00 C ATOM 883 CG LYS A 56 1.308 -3.879 -6.334 1.00 0.00 C ATOM 884 CD LYS A 56 0.814 -5.261 -6.729 1.00 0.00 C ATOM 885 CE LYS A 56 1.866 -6.025 -7.517 1.00 0.00 C ATOM 886 NZ LYS A 56 1.705 -7.499 -7.373 1.00 0.00 N ATOM 0 H LYS A 56 3.337 -2.378 -7.619 1.00 0.00 H new ATOM 0 HA LYS A 56 1.403 -3.909 -9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.071 -1.838 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.183 -2.908 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.395 -3.891 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.914 -3.618 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.549 -5.823 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.093 -5.167 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.799 -5.754 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.859 -5.733 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.441 -7.984 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.794 -7.762 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.767 -7.782 -7.723 1.00 0.00 H new ATOM 900 N LYS A 57 -0.144 -1.912 -9.994 1.00 0.00 N ATOM 901 CA LYS A 57 -0.735 -0.929 -10.895 1.00 0.00 C ATOM 902 C LYS A 57 -1.607 0.058 -10.126 1.00 0.00 C ATOM 903 O LYS A 57 -1.745 1.216 -10.521 1.00 0.00 O ATOM 904 CB LYS A 57 -1.566 -1.630 -11.972 1.00 0.00 C ATOM 905 CG LYS A 57 -1.704 -0.826 -13.253 1.00 0.00 C ATOM 906 CD LYS A 57 -0.392 -0.763 -14.016 1.00 0.00 C ATOM 907 CE LYS A 57 -0.155 -2.030 -14.824 1.00 0.00 C ATOM 908 NZ LYS A 57 0.933 -1.854 -15.824 1.00 0.00 N ATOM 0 H LYS A 57 -0.790 -2.634 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 57 0.074 -0.376 -11.372 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.108 -2.591 -12.204 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.559 -1.838 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.472 -1.274 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.037 0.184 -13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.399 0.099 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.431 -0.618 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.100 -2.848 -14.150 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.076 -2.313 -15.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.064 -2.739 -16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.679 -1.090 -16.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.818 -1.609 -15.335 1.00 0.00 H new ATOM 922 N ASP A 58 -2.190 -0.406 -9.027 1.00 0.00 N ATOM 923 CA ASP A 58 -3.047 0.438 -8.202 1.00 0.00 C ATOM 924 C ASP A 58 -3.433 -0.277 -6.911 1.00 0.00 C ATOM 925 O ASP A 58 -3.742 -1.469 -6.917 1.00 0.00 O ATOM 926 CB ASP A 58 -4.306 0.835 -8.975 1.00 0.00 C ATOM 927 CG ASP A 58 -4.865 -0.309 -9.797 1.00 0.00 C ATOM 928 OD1 ASP A 58 -5.700 -1.070 -9.264 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.468 -0.445 -10.974 1.00 0.00 O ATOM 0 H ASP A 58 -2.085 -1.362 -8.686 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.489 1.338 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.066 1.180 -8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.076 1.673 -9.633 1.00 0.00 H new ATOM 934 N THR A 59 -3.412 0.458 -5.804 1.00 0.00 N ATOM 935 CA THR A 59 -3.756 -0.105 -4.505 1.00 0.00 C ATOM 936 C THR A 59 -5.007 0.553 -3.934 1.00 0.00 C ATOM 937 O THR A 59 -5.132 1.778 -3.938 1.00 0.00 O ATOM 938 CB THR A 59 -2.601 0.054 -3.498 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.939 -0.580 -2.260 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.295 1.524 -3.254 1.00 0.00 C ATOM 0 H THR A 59 -3.160 1.446 -5.781 1.00 0.00 H new ATOM 0 HA THR A 59 -3.946 -1.167 -4.662 1.00 0.00 H new ATOM 0 HB THR A 59 -1.714 -0.421 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.170 -0.546 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.476 1.612 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.009 1.997 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.180 2.018 -2.854 1.00 0.00 H new ATOM 948 N VAL A 60 -5.931 -0.267 -3.443 1.00 0.00 N ATOM 949 CA VAL A 60 -7.171 0.237 -2.866 1.00 0.00 C ATOM 950 C VAL A 60 -7.004 0.542 -1.382 1.00 0.00 C ATOM 951 O VAL A 60 -6.427 -0.249 -0.636 1.00 0.00 O ATOM 952 CB VAL A 60 -8.323 -0.770 -3.045 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.458 -0.461 -2.081 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.818 -0.763 -4.484 1.00 0.00 C ATOM 0 H VAL A 60 -5.844 -1.283 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.416 1.157 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.948 -1.768 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.262 -1.183 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.092 -0.522 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.835 0.544 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.632 -1.480 -4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.176 0.234 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.001 -1.038 -5.151 1.00 0.00 H new ATOM 964 N VAL A 61 -7.512 1.695 -0.959 1.00 0.00 N ATOM 965 CA VAL A 61 -7.421 2.105 0.437 1.00 0.00 C ATOM 966 C VAL A 61 -8.684 2.836 0.879 1.00 0.00 C ATOM 967 O VAL A 61 -9.341 3.498 0.078 1.00 0.00 O ATOM 968 CB VAL A 61 -6.203 3.017 0.675 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.910 2.269 0.388 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.303 4.272 -0.178 1.00 0.00 C ATOM 0 H VAL A 61 -7.991 2.362 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.306 1.196 1.027 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.195 3.317 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.061 2.930 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.837 1.403 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.905 1.937 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.434 4.905 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.337 3.994 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.210 4.818 0.082 1.00 0.00 H new ATOM 980 N GLN A 62 -9.015 2.710 2.160 1.00 0.00 N ATOM 981 CA GLN A 62 -10.200 3.359 2.709 1.00 0.00 C ATOM 982 C GLN A 62 -9.931 4.833 2.993 1.00 0.00 C ATOM 983 O GLN A 62 -9.298 5.177 3.992 1.00 0.00 O ATOM 984 CB GLN A 62 -10.646 2.653 3.991 1.00 0.00 C ATOM 985 CG GLN A 62 -11.260 1.284 3.750 1.00 0.00 C ATOM 986 CD GLN A 62 -10.215 0.199 3.575 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.190 0.193 4.257 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.470 -0.727 2.659 1.00 0.00 N ATOM 0 H GLN A 62 -8.480 2.165 2.836 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.997 3.290 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.787 2.545 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.371 3.281 4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.908 1.028 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.890 1.324 2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.332 -0.683 2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.804 -1.482 2.498 1.00 0.00 H new ATOM 997 N ILE A 63 -10.416 5.699 2.109 1.00 0.00 N ATOM 998 CA ILE A 63 -10.228 7.136 2.266 1.00 0.00 C ATOM 999 C ILE A 63 -11.561 7.844 2.486 1.00 0.00 C ATOM 1000 O ILE A 63 -12.495 7.689 1.699 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.530 7.749 1.038 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.134 7.147 0.864 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.446 9.262 1.177 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.432 7.603 -0.396 1.00 0.00 C ATOM 0 H ILE A 63 -10.942 5.431 1.277 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.595 7.278 3.142 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.119 7.517 0.151 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.523 7.412 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.215 6.060 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.950 9.681 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.451 9.676 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.877 9.514 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.448 7.137 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.022 7.314 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.319 8.687 -0.378 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.641 8.623 3.560 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.859 9.358 3.882 1.00 0.00 C ATOM 1018 C HIS A 64 -14.017 8.400 4.146 1.00 0.00 C ATOM 1019 O HIS A 64 -15.167 8.698 3.825 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.220 10.312 2.743 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.294 11.484 2.627 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.730 12.763 2.356 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -10.949 11.564 2.750 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.693 13.580 2.314 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.599 12.877 2.550 1.00 0.00 N ATOM 0 H HIS A 64 -10.877 8.762 4.222 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.676 9.938 4.787 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.215 9.761 1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.236 10.676 2.893 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.276 10.747 2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.732 14.642 2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.650 13.249 2.579 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.705 7.249 4.732 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.720 6.247 5.038 1.00 0.00 C ATOM 1036 C ASN A 65 -15.307 5.660 3.758 1.00 0.00 C ATOM 1037 O ASN A 65 -16.455 5.217 3.737 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.834 6.862 5.887 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.303 7.525 7.144 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -15.341 6.945 8.229 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -14.805 8.748 7.002 1.00 0.00 N ATOM 0 H ASN A 65 -12.758 6.987 5.005 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.244 5.444 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.376 7.597 5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.548 6.086 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.434 9.245 7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.794 9.191 6.083 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.511 5.659 2.694 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.952 5.126 1.410 1.00 0.00 C ATOM 1050 C GLN A 66 -13.787 4.496 0.653 1.00 0.00 C ATOM 1051 O GLN A 66 -12.702 5.072 0.574 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.586 6.232 0.566 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.918 7.587 0.735 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.788 8.731 0.257 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -15.336 9.600 -0.490 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -17.045 8.739 0.685 1.00 0.00 N ATOM 0 H GLN A 66 -13.557 6.021 2.695 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.697 4.353 1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.544 5.945 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.640 6.320 0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.672 7.738 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.978 7.596 0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -17.378 7.999 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.678 9.485 0.396 1.00 0.00 H new ATOM 1065 N ASP A 67 -14.020 3.311 0.099 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.990 2.604 -0.653 1.00 0.00 C ATOM 1067 C ASP A 67 -12.561 3.407 -1.876 1.00 0.00 C ATOM 1068 O ASP A 67 -13.398 3.870 -2.653 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.499 1.227 -1.084 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.888 1.286 -1.687 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.817 1.750 -0.993 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.048 0.867 -2.852 1.00 0.00 O ATOM 0 H ASP A 67 -14.912 2.820 0.157 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.124 2.476 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.809 0.799 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.508 0.560 -0.222 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.253 3.570 -2.042 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.713 4.320 -3.170 1.00 0.00 C ATOM 1079 C PHE A 68 -9.636 3.516 -3.892 1.00 0.00 C ATOM 1080 O PHE A 68 -9.128 2.524 -3.368 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.135 5.654 -2.694 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.117 6.789 -2.757 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.373 6.669 -2.184 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.784 7.977 -3.388 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.278 7.712 -2.241 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.685 9.023 -3.448 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.934 8.891 -2.873 1.00 0.00 C ATOM 0 H PHE A 68 -10.547 3.193 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.528 4.513 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.785 5.544 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.265 5.902 -3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.648 5.750 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.809 8.087 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.254 7.605 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.413 9.943 -3.944 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.640 9.707 -2.917 1.00 0.00 H new ATOM 1097 N THR A 69 -9.292 3.950 -5.101 1.00 0.00 N ATOM 1098 CA THR A 69 -8.277 3.271 -5.897 1.00 0.00 C ATOM 1099 C THR A 69 -7.068 4.169 -6.128 1.00 0.00 C ATOM 1100 O THR A 69 -7.141 5.147 -6.872 1.00 0.00 O ATOM 1101 CB THR A 69 -8.839 2.823 -7.260 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.077 2.129 -7.075 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.849 1.923 -7.983 1.00 0.00 C ATOM 0 H THR A 69 -9.702 4.769 -5.550 1.00 0.00 H new ATOM 0 HA THR A 69 -7.969 2.391 -5.333 1.00 0.00 H new ATOM 0 HB THR A 69 -9.009 3.711 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.428 1.849 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.267 1.619 -8.943 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.918 2.465 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.651 1.039 -7.377 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.953 3.831 -5.487 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.726 4.606 -5.625 1.00 0.00 C ATOM 1113 C VAL A 70 -3.866 4.075 -6.766 1.00 0.00 C ATOM 1114 O VAL A 70 -3.225 3.031 -6.640 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.902 4.588 -4.324 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.651 5.441 -4.473 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.746 5.066 -3.153 1.00 0.00 C ATOM 0 H VAL A 70 -5.875 3.025 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.022 5.632 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.592 3.562 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.081 5.417 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.038 5.050 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.936 6.469 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.148 5.047 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.087 6.084 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.609 4.410 -3.035 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.856 4.800 -7.879 1.00 0.00 N ATOM 1128 CA ASP A 71 -3.073 4.403 -9.043 1.00 0.00 C ATOM 1129 C ASP A 71 -1.616 4.828 -8.889 1.00 0.00 C ATOM 1130 O ASP A 71 -1.314 6.015 -8.759 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.663 5.016 -10.315 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.418 4.156 -11.539 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -2.358 4.322 -12.178 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.287 3.317 -11.859 1.00 0.00 O ATOM 0 H ASP A 71 -4.381 5.666 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.110 3.316 -9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.736 5.158 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.228 6.003 -10.475 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.716 3.851 -8.901 1.00 0.00 N ATOM 1140 CA LEU A 72 0.711 4.123 -8.761 1.00 0.00 C ATOM 1141 C LEU A 72 1.309 4.587 -10.085 1.00 0.00 C ATOM 1142 O LEU A 72 2.151 5.485 -10.117 1.00 0.00 O ATOM 1143 CB LEU A 72 1.442 2.873 -8.268 1.00 0.00 C ATOM 1144 CG LEU A 72 0.922 2.261 -6.967 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.342 0.803 -6.858 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.422 3.053 -5.767 1.00 0.00 C ATOM 0 H LEU A 72 -0.949 2.863 -9.006 1.00 0.00 H new ATOM 0 HA LEU A 72 0.834 4.921 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.390 2.114 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.495 3.121 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.167 2.305 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.963 0.384 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.934 0.243 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.430 0.736 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.042 2.603 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.512 3.042 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.071 4.082 -5.838 1.00 0.00 H new ATOM 1158 N SER A 73 0.867 3.970 -11.177 1.00 0.00 N ATOM 1159 CA SER A 73 1.361 4.319 -12.504 1.00 0.00 C ATOM 1160 C SER A 73 1.433 5.833 -12.676 1.00 0.00 C ATOM 1161 O SER A 73 2.306 6.350 -13.374 1.00 0.00 O ATOM 1162 CB SER A 73 0.459 3.714 -13.582 1.00 0.00 C ATOM 1163 OG SER A 73 0.907 2.423 -13.956 1.00 0.00 O ATOM 0 H SER A 73 0.168 3.227 -11.169 1.00 0.00 H new ATOM 0 HA SER A 73 2.366 3.911 -12.610 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.565 3.654 -13.213 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.445 4.365 -14.456 1.00 0.00 H new ATOM 0 HG SER A 73 0.416 2.123 -14.749 1.00 0.00 H new ATOM 1169 N THR A 74 0.508 6.540 -12.035 1.00 0.00 N ATOM 1170 CA THR A 74 0.464 7.995 -12.117 1.00 0.00 C ATOM 1171 C THR A 74 0.443 8.623 -10.728 1.00 0.00 C ATOM 1172 O THR A 74 0.653 9.826 -10.578 1.00 0.00 O ATOM 1173 CB THR A 74 -0.769 8.476 -12.905 1.00 0.00 C ATOM 1174 OG1 THR A 74 -0.751 9.903 -13.018 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.054 8.032 -12.222 1.00 0.00 C ATOM 0 H THR A 74 -0.221 6.128 -11.453 1.00 0.00 H new ATOM 0 HA THR A 74 1.366 8.310 -12.641 1.00 0.00 H new ATOM 0 HB THR A 74 -0.733 8.033 -13.900 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.386 10.292 -12.196 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.911 8.383 -12.796 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.078 6.944 -12.163 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.095 8.451 -11.216 1.00 0.00 H new ATOM 1183 N ASN A 75 0.189 7.801 -9.715 1.00 0.00 N ATOM 1184 CA ASN A 75 0.141 8.278 -8.338 1.00 0.00 C ATOM 1185 C ASN A 75 -1.081 9.163 -8.111 1.00 0.00 C ATOM 1186 O ASN A 75 -0.961 10.303 -7.660 1.00 0.00 O ATOM 1187 CB ASN A 75 1.416 9.053 -8.000 1.00 0.00 C ATOM 1188 CG ASN A 75 2.647 8.455 -8.654 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.835 7.239 -8.652 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.492 9.311 -9.217 1.00 0.00 N ATOM 0 H ASN A 75 0.013 6.802 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 75 0.066 7.411 -7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.304 10.089 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.553 9.068 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.338 8.968 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.295 10.312 -9.194 1.00 0.00 H new ATOM 1197 N THR A 76 -2.258 8.630 -8.425 1.00 0.00 N ATOM 1198 CA THR A 76 -3.502 9.370 -8.256 1.00 0.00 C ATOM 1199 C THR A 76 -4.622 8.459 -7.767 1.00 0.00 C ATOM 1200 O THR A 76 -4.792 7.347 -8.266 1.00 0.00 O ATOM 1201 CB THR A 76 -3.939 10.041 -9.571 1.00 0.00 C ATOM 1202 OG1 THR A 76 -2.942 10.975 -10.000 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.270 10.757 -9.397 1.00 0.00 C ATOM 0 H THR A 76 -2.375 7.688 -8.798 1.00 0.00 H new ATOM 0 HA THR A 76 -3.312 10.141 -7.509 1.00 0.00 H new ATOM 0 HB THR A 76 -4.058 9.265 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.227 11.396 -10.838 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.558 11.223 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.034 10.038 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.173 11.523 -8.628 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.383 8.937 -6.788 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.489 8.166 -6.234 1.00 0.00 C ATOM 1213 C ALA A 77 -7.807 8.537 -6.905 1.00 0.00 C ATOM 1214 O ALA A 77 -7.998 9.674 -7.337 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.581 8.381 -4.731 1.00 0.00 C ATOM 0 H ALA A 77 -5.254 9.855 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.297 7.111 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.411 7.799 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.652 8.060 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.746 9.438 -4.524 1.00 0.00 H new ATOM 1221 N THR A 78 -8.715 7.569 -6.989 1.00 0.00 N ATOM 1222 CA THR A 78 -10.015 7.794 -7.609 1.00 0.00 C ATOM 1223 C THR A 78 -11.078 6.887 -7.001 1.00 0.00 C ATOM 1224 O THR A 78 -10.786 5.767 -6.580 1.00 0.00 O ATOM 1225 CB THR A 78 -9.961 7.554 -9.130 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.809 8.196 -9.687 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.218 8.081 -9.806 1.00 0.00 C ATOM 0 H THR A 78 -8.574 6.623 -6.636 1.00 0.00 H new ATOM 0 HA THR A 78 -10.279 8.835 -7.422 1.00 0.00 H new ATOM 0 HB THR A 78 -9.897 6.480 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.781 8.037 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.157 7.900 -10.879 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.091 7.569 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.308 9.152 -9.623 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.313 7.376 -6.957 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.421 6.608 -6.402 1.00 0.00 C ATOM 1237 C ALA A 79 -14.682 6.779 -7.242 1.00 0.00 C ATOM 1238 O ALA A 79 -14.879 7.794 -7.911 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.682 7.024 -4.962 1.00 0.00 C ATOM 0 H ALA A 79 -12.572 8.301 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.145 5.554 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.512 6.443 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.789 6.844 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.932 8.084 -4.929 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.558 5.763 -7.209 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.816 5.778 -7.961 1.00 0.00 C ATOM 1247 C PRO A 80 -17.814 6.786 -7.402 1.00 0.00 C ATOM 1248 O PRO A 80 -18.936 6.900 -7.895 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.346 4.352 -7.794 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.739 3.869 -6.522 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.388 4.523 -6.433 1.00 0.00 C ATOM 0 HA PRO A 80 -16.666 6.073 -9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.435 4.338 -7.744 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.057 3.721 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.359 4.137 -5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.648 2.783 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.109 4.730 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.606 3.890 -6.853 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.398 7.515 -6.372 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.257 8.514 -5.747 1.00 0.00 C ATOM 1261 C GLN A 81 -18.153 9.852 -6.471 1.00 0.00 C ATOM 1262 O GLN A 81 -19.136 10.581 -6.594 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.884 8.688 -4.273 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.869 7.385 -3.491 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.249 6.772 -3.351 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.262 7.459 -3.486 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.295 5.473 -3.080 1.00 0.00 N ATOM 0 H GLN A 81 -16.472 7.433 -5.953 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.287 8.164 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.900 9.152 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.591 9.374 -3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.209 6.675 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.454 7.565 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.430 4.943 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.195 5.005 -2.975 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.954 10.168 -6.950 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.743 11.419 -7.657 1.00 0.00 C ATOM 1278 C GLY A 82 -15.650 12.262 -7.030 1.00 0.00 C ATOM 1279 O GLY A 82 -15.716 13.490 -7.053 1.00 0.00 O ATOM 0 H GLY A 82 -16.125 9.581 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.484 11.207 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.673 11.987 -7.670 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.644 11.600 -6.469 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.533 12.298 -5.831 1.00 0.00 C ATOM 1285 C GLN A 83 -12.197 11.703 -6.264 1.00 0.00 C ATOM 1286 O GLN A 83 -12.037 10.484 -6.323 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.666 12.229 -4.309 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.459 13.382 -3.715 1.00 0.00 C ATOM 1289 CD GLN A 83 -15.199 12.991 -2.451 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -14.587 12.650 -1.439 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.525 13.040 -2.503 1.00 0.00 N ATOM 0 H GLN A 83 -14.575 10.583 -6.443 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.564 13.342 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.147 11.290 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.670 12.217 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.783 14.208 -3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.175 13.744 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.991 13.329 -3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.077 12.789 -1.683 1.00 0.00 H new ATOM 1300 N THR A 84 -11.238 12.573 -6.566 1.00 0.00 N ATOM 1301 CA THR A 84 -9.916 12.135 -6.995 1.00 0.00 C ATOM 1302 C THR A 84 -8.819 12.916 -6.279 1.00 0.00 C ATOM 1303 O THR A 84 -8.954 14.115 -6.038 1.00 0.00 O ATOM 1304 CB THR A 84 -9.736 12.297 -8.516 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.678 13.686 -8.858 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.878 11.631 -9.269 1.00 0.00 C ATOM 0 H THR A 84 -11.353 13.586 -6.521 1.00 0.00 H new ATOM 0 HA THR A 84 -9.834 11.079 -6.738 1.00 0.00 H new ATOM 0 HB THR A 84 -8.802 11.814 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.562 13.780 -9.827 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.730 11.758 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.901 10.568 -9.029 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.823 12.089 -8.976 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.733 12.228 -5.944 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.612 12.858 -5.255 1.00 0.00 C ATOM 1316 C PHE A 85 -5.285 12.438 -5.881 1.00 0.00 C ATOM 1317 O PHE A 85 -5.247 11.603 -6.784 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.627 12.491 -3.770 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.999 12.185 -3.242 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.961 13.179 -3.157 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.328 10.903 -2.830 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.225 12.901 -2.672 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.590 10.619 -2.344 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.539 11.619 -2.264 1.00 0.00 C ATOM 0 H PHE A 85 -7.605 11.235 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.716 13.938 -5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.984 11.625 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.201 13.314 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.720 14.183 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.590 10.117 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.966 13.685 -2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.834 9.616 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.525 11.399 -1.883 1.00 0.00 H new ATOM 1334 N THR A 86 -4.196 13.026 -5.394 1.00 0.00 N ATOM 1335 CA THR A 86 -2.867 12.716 -5.905 1.00 0.00 C ATOM 1336 C THR A 86 -1.938 12.264 -4.784 1.00 0.00 C ATOM 1337 O THR A 86 -1.774 12.960 -3.781 1.00 0.00 O ATOM 1338 CB THR A 86 -2.241 13.931 -6.616 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.069 14.337 -7.712 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.845 13.601 -7.123 1.00 0.00 C ATOM 0 H THR A 86 -4.209 13.720 -4.646 1.00 0.00 H new ATOM 0 HA THR A 86 -2.986 11.905 -6.624 1.00 0.00 H new ATOM 0 HB THR A 86 -2.166 14.746 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.665 15.111 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.423 14.474 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.210 13.320 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.901 12.772 -7.829 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.332 11.094 -4.959 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.417 10.550 -3.962 1.00 0.00 C ATOM 1350 C VAL A 87 1.035 10.805 -4.351 1.00 0.00 C ATOM 1351 O VAL A 87 1.399 10.711 -5.523 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.629 9.036 -3.774 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.840 8.771 -2.893 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.779 8.348 -5.122 1.00 0.00 C ATOM 0 H VAL A 87 -1.458 10.505 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.632 11.059 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 87 0.249 8.623 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.974 7.696 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.687 9.230 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.729 9.197 -3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.928 7.279 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.638 8.763 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.122 8.508 -5.715 1.00 0.00 H new ATOM 1364 N GLN A 88 1.859 11.127 -3.360 1.00 0.00 N ATOM 1365 CA GLN A 88 3.272 11.396 -3.599 1.00 0.00 C ATOM 1366 C GLN A 88 4.146 10.647 -2.598 1.00 0.00 C ATOM 1367 O GLN A 88 3.857 10.627 -1.401 1.00 0.00 O ATOM 1368 CB GLN A 88 3.549 12.898 -3.512 1.00 0.00 C ATOM 1369 CG GLN A 88 3.132 13.518 -2.188 1.00 0.00 C ATOM 1370 CD GLN A 88 2.707 14.966 -2.331 1.00 0.00 C ATOM 1371 OE1 GLN A 88 2.828 15.558 -3.403 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.204 15.545 -1.246 1.00 0.00 N ATOM 0 H GLN A 88 1.573 11.208 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 88 3.518 11.046 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.614 13.072 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.023 13.403 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.309 12.942 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.962 13.454 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.122 15.016 -0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.900 16.518 -1.282 1.00 0.00 H new ATOM 1381 N ARG A 89 5.213 10.032 -3.095 1.00 0.00 N ATOM 1382 CA ARG A 89 6.128 9.281 -2.244 1.00 0.00 C ATOM 1383 C ARG A 89 7.232 10.184 -1.702 1.00 0.00 C ATOM 1384 O ARG A 89 7.866 10.927 -2.452 1.00 0.00 O ATOM 1385 CB ARG A 89 6.743 8.117 -3.024 1.00 0.00 C ATOM 1386 CG ARG A 89 7.271 7.001 -2.137 1.00 0.00 C ATOM 1387 CD ARG A 89 7.593 5.753 -2.944 1.00 0.00 C ATOM 1388 NE ARG A 89 7.760 4.578 -2.092 1.00 0.00 N ATOM 1389 CZ ARG A 89 8.449 3.501 -2.452 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.033 3.451 -3.642 1.00 0.00 N ATOM 1391 NH2 ARG A 89 8.556 2.472 -1.622 1.00 0.00 N ATOM 0 H ARG A 89 5.466 10.039 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 89 5.560 8.886 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.993 7.708 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.558 8.495 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.167 7.341 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.531 6.761 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.794 5.569 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.505 5.918 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 89 7.324 4.585 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.953 4.241 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.562 2.623 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.109 2.507 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.085 1.646 -1.900 1.00 0.00 H new ATOM 1405 N LEU A 90 7.456 10.115 -0.394 1.00 0.00 N ATOM 1406 CA LEU A 90 8.483 10.926 0.250 1.00 0.00 C ATOM 1407 C LEU A 90 9.281 10.099 1.252 1.00 0.00 C ATOM 1408 O LEU A 90 8.729 9.249 1.951 1.00 0.00 O ATOM 1409 CB LEU A 90 7.846 12.126 0.954 1.00 0.00 C ATOM 1410 CG LEU A 90 6.638 12.750 0.255 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.370 11.982 0.594 1.00 0.00 C ATOM 1412 CD2 LEU A 90 6.496 14.215 0.642 1.00 0.00 C ATOM 0 H LEU A 90 6.940 9.506 0.241 1.00 0.00 H new ATOM 0 HA LEU A 90 9.165 11.285 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.542 11.816 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.607 12.896 1.077 1.00 0.00 H new ATOM 0 HG LEU A 90 6.796 12.693 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.521 12.440 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.473 10.947 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.207 12.007 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.631 14.643 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.361 14.295 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.394 14.758 0.348 1.00 0.00 H new