USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 430 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 49 CYS SG : rot -154:sc= -0.88 USER MOD Set 1.2: A 52 CYS SG : rot 135:sc= 0.968 USER MOD Set 1.3: A 55 TYR OH : rot 180:sc= 0.113 USER MOD Set 1.4: A 67 HIS : no HE2:sc= -12.6! C(o=-12!,f=-13!) USER MOD Set 1.5: A 69 SER OG : rot 180:sc= 0 USER MOD Set 1.6: A 70 HIS : no HE2:sc= -0.0605 K(o=-12,f=-14) USER MOD Set 2.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 GLN : amide:sc= 1.22 K(o=1.2,f=-0.051) USER MOD Set 3.1: A 34 CYS SG : rot 138:sc= -0.393 USER MOD Set 3.2: A 36 ASN : amide:sc= 0.052 X(o=-0.87,f=-1) USER MOD Set 3.3: A 37 CYS SG : rot -58:sc= -0.555 USER MOD Set 3.4: A 58 CYS SG : rot -130:sc= 0.915 USER MOD Set 3.5: A 61 CYS SG : rot 145:sc= -0.887 USER MOD Single : A 35 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.34) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.316 (180deg=0.309) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -2.32! (180deg=-2.32!) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.815 (180deg=0.794) USER MOD Single : A 50 THR OG1 : rot -55:sc= -0.142 USER MOD Single : A 56 HIS : no HE2:sc= -9.81! C(o=-9.8!,f=-12!) USER MOD Single : A 64 SER OG : rot -88:sc= 1.2 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= -1.31 K(o=-1.3,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 426 N LEU A 30 4.581 11.017 9.639 1.00 0.00 N ATOM 427 CA LEU A 30 5.764 10.165 9.578 1.00 0.00 C ATOM 428 C LEU A 30 5.379 8.692 9.674 1.00 0.00 C ATOM 429 O LEU A 30 5.917 7.852 8.954 1.00 0.00 O ATOM 430 CB LEU A 30 6.735 10.525 10.703 1.00 0.00 C ATOM 431 CG LEU A 30 7.322 11.936 10.658 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.072 12.244 11.945 1.00 0.00 C ATOM 433 CD2 LEU A 30 8.239 12.094 9.454 1.00 0.00 C ATOM 0 HA LEU A 30 6.253 10.332 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.220 10.398 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.558 9.810 10.688 1.00 0.00 H new ATOM 0 HG LEU A 30 6.501 12.647 10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.483 13.252 11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.388 12.173 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.884 11.528 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.648 13.104 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.054 11.374 9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.673 11.917 8.540 1.00 0.00 H new ATOM 445 N GLY A 31 4.443 8.387 10.567 1.00 0.00 N ATOM 446 CA GLY A 31 4.000 7.016 10.739 1.00 0.00 C ATOM 447 C GLY A 31 5.119 6.015 10.527 1.00 0.00 C ATOM 448 O GLY A 31 6.058 5.947 11.320 1.00 0.00 O ATOM 0 H GLY A 31 3.983 9.065 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.591 6.892 11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.192 6.808 10.037 1.00 0.00 H new ATOM 452 N ILE A 32 5.018 5.236 9.455 1.00 0.00 N ATOM 453 CA ILE A 32 6.028 4.233 9.142 1.00 0.00 C ATOM 454 C ILE A 32 6.240 4.118 7.636 1.00 0.00 C ATOM 455 O ILE A 32 5.297 4.156 6.847 1.00 0.00 O ATOM 456 CB ILE A 32 5.643 2.851 9.702 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.545 2.904 11.228 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.656 1.803 9.267 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.541 1.930 11.803 1.00 0.00 C ATOM 0 H ILE A 32 4.247 5.280 8.789 1.00 0.00 H new ATOM 0 HA ILE A 32 6.954 4.561 9.613 1.00 0.00 H new ATOM 0 HB ILE A 32 4.667 2.573 9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.526 2.696 11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.273 3.915 11.532 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.371 0.831 9.670 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.681 1.751 8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.644 2.075 9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.525 2.023 12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.551 2.151 11.405 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.823 0.913 11.530 1.00 0.00 H new ATOM 471 N PRO A 33 7.509 3.972 7.227 1.00 0.00 N ATOM 472 CA PRO A 33 7.875 3.846 5.813 1.00 0.00 C ATOM 473 C PRO A 33 7.426 2.517 5.215 1.00 0.00 C ATOM 474 O PRO A 33 7.201 1.544 5.935 1.00 0.00 O ATOM 475 CB PRO A 33 9.404 3.934 5.833 1.00 0.00 C ATOM 476 CG PRO A 33 9.791 3.475 7.197 1.00 0.00 C ATOM 477 CD PRO A 33 8.684 3.918 8.113 1.00 0.00 C ATOM 0 HA PRO A 33 7.398 4.610 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.847 3.303 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.745 4.952 5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.911 2.392 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.744 3.909 7.499 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.536 3.216 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.896 4.890 8.559 1.00 0.00 H new ATOM 485 N CYS A 34 7.297 2.483 3.892 1.00 0.00 N ATOM 486 CA CYS A 34 6.875 1.274 3.196 1.00 0.00 C ATOM 487 C CYS A 34 7.917 0.169 3.343 1.00 0.00 C ATOM 488 O CYS A 34 9.117 0.436 3.394 1.00 0.00 O ATOM 489 CB CYS A 34 6.636 1.570 1.714 1.00 0.00 C ATOM 490 SG CYS A 34 5.732 0.259 0.830 1.00 0.00 S ATOM 0 H CYS A 34 7.479 3.279 3.281 1.00 0.00 H new ATOM 0 HA CYS A 34 5.943 0.933 3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.079 2.503 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.598 1.726 1.226 1.00 0.00 H new ATOM 0 HG CYS A 34 4.858 0.797 0.032 1.00 0.00 H new ATOM 495 N ASN A 35 7.449 -1.073 3.411 1.00 0.00 N ATOM 496 CA ASN A 35 8.340 -2.219 3.552 1.00 0.00 C ATOM 497 C ASN A 35 8.670 -2.823 2.191 1.00 0.00 C ATOM 498 O ASN A 35 9.486 -3.738 2.088 1.00 0.00 O ATOM 499 CB ASN A 35 7.702 -3.280 4.452 1.00 0.00 C ATOM 500 CG ASN A 35 8.734 -4.083 5.220 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.282 -3.618 6.220 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.005 -5.297 4.754 1.00 0.00 N ATOM 0 H ASN A 35 6.458 -1.312 3.371 1.00 0.00 H new ATOM 0 HA ASN A 35 9.266 -1.873 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.025 -2.796 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.100 -3.955 3.843 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.691 -5.884 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.527 -5.642 3.922 1.00 0.00 H new ATOM 509 N ASN A 36 8.029 -2.304 1.148 1.00 0.00 N ATOM 510 CA ASN A 36 8.254 -2.792 -0.207 1.00 0.00 C ATOM 511 C ASN A 36 9.119 -1.817 -1.000 1.00 0.00 C ATOM 512 O ASN A 36 10.287 -2.091 -1.278 1.00 0.00 O ATOM 513 CB ASN A 36 6.918 -3.005 -0.923 1.00 0.00 C ATOM 514 CG ASN A 36 7.038 -3.955 -2.100 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.252 -5.154 -1.924 1.00 0.00 O ATOM 516 ND2 ASN A 36 6.899 -3.421 -3.307 1.00 0.00 N ATOM 0 H ASN A 36 7.350 -1.546 1.216 1.00 0.00 H new ATOM 0 HA ASN A 36 8.779 -3.745 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.188 -3.398 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.539 -2.045 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.969 -4.010 -4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.722 -2.421 -3.405 1.00 0.00 H new ATOM 523 N CYS A 37 8.538 -0.678 -1.360 1.00 0.00 N ATOM 524 CA CYS A 37 9.254 0.339 -2.120 1.00 0.00 C ATOM 525 C CYS A 37 10.148 1.173 -1.206 1.00 0.00 C ATOM 526 O CYS A 37 11.098 1.810 -1.661 1.00 0.00 O ATOM 527 CB CYS A 37 8.266 1.249 -2.853 1.00 0.00 C ATOM 528 SG CYS A 37 7.281 2.316 -1.753 1.00 0.00 S ATOM 0 H CYS A 37 7.572 -0.436 -1.137 1.00 0.00 H new ATOM 0 HA CYS A 37 9.883 -0.167 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.817 1.877 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.590 0.632 -3.444 1.00 0.00 H new ATOM 0 HG CYS A 37 6.623 1.579 -0.908 1.00 0.00 H new ATOM 533 N LYS A 38 9.836 1.164 0.085 1.00 0.00 N ATOM 534 CA LYS A 38 10.610 1.917 1.065 1.00 0.00 C ATOM 535 C LYS A 38 10.459 3.418 0.840 1.00 0.00 C ATOM 536 O LYS A 38 11.434 4.166 0.912 1.00 0.00 O ATOM 537 CB LYS A 38 12.087 1.525 0.988 1.00 0.00 C ATOM 538 CG LYS A 38 12.331 0.035 1.157 1.00 0.00 C ATOM 539 CD LYS A 38 11.879 -0.452 2.524 1.00 0.00 C ATOM 540 CE LYS A 38 12.715 -1.630 3.000 1.00 0.00 C ATOM 541 NZ LYS A 38 12.486 -2.844 2.169 1.00 0.00 N ATOM 0 H LYS A 38 9.052 0.643 0.478 1.00 0.00 H new ATOM 0 HA LYS A 38 10.227 1.676 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.489 1.844 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.638 2.064 1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.798 -0.513 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.392 -0.178 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.953 0.363 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.830 -0.744 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.771 -1.362 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.473 -1.851 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.021 -3.642 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.472 -3.075 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.804 -2.663 1.196 1.00 0.00 H new ATOM 555 N GLN A 39 9.232 3.851 0.570 1.00 0.00 N ATOM 556 CA GLN A 39 8.954 5.263 0.336 1.00 0.00 C ATOM 557 C GLN A 39 8.762 6.006 1.654 1.00 0.00 C ATOM 558 O GLN A 39 7.868 5.683 2.436 1.00 0.00 O ATOM 559 CB GLN A 39 7.710 5.422 -0.539 1.00 0.00 C ATOM 560 CG GLN A 39 7.451 6.856 -0.973 1.00 0.00 C ATOM 561 CD GLN A 39 6.696 6.941 -2.285 1.00 0.00 C ATOM 562 OE1 GLN A 39 7.292 7.122 -3.347 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.376 6.809 -2.219 1.00 0.00 N ATOM 0 H GLN A 39 8.414 3.244 0.508 1.00 0.00 H new ATOM 0 HA GLN A 39 9.811 5.695 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.817 4.797 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.842 5.054 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.883 7.369 -0.197 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.402 7.379 -1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.923 6.660 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.816 6.856 -3.070 1.00 0.00 H new ATOM 572 N PHE A 40 9.608 7.003 1.895 1.00 0.00 N ATOM 573 CA PHE A 40 9.532 7.791 3.119 1.00 0.00 C ATOM 574 C PHE A 40 9.922 9.243 2.857 1.00 0.00 C ATOM 575 O PHE A 40 10.977 9.536 2.294 1.00 0.00 O ATOM 576 CB PHE A 40 10.442 7.192 4.193 1.00 0.00 C ATOM 577 CG PHE A 40 9.912 7.357 5.589 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.609 6.999 5.896 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.716 7.871 6.593 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.118 7.150 7.179 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.230 8.023 7.879 1.00 0.00 C ATOM 582 CZ PHE A 40 8.929 7.663 8.171 1.00 0.00 C ATOM 0 H PHE A 40 10.354 7.284 1.258 1.00 0.00 H new ATOM 0 HA PHE A 40 8.501 7.769 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.581 6.130 3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.424 7.660 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.970 6.597 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.733 8.156 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.101 6.867 7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.867 8.423 8.654 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.547 7.783 9.174 1.00 0.00 H new ATOM 592 N PRO A 41 9.051 10.174 3.273 1.00 0.00 N ATOM 593 CA PRO A 41 7.792 9.836 3.944 1.00 0.00 C ATOM 594 C PRO A 41 6.790 9.180 3.000 1.00 0.00 C ATOM 595 O PRO A 41 6.947 9.233 1.780 1.00 0.00 O ATOM 596 CB PRO A 41 7.269 11.193 4.421 1.00 0.00 C ATOM 597 CG PRO A 41 7.880 12.183 3.490 1.00 0.00 C ATOM 598 CD PRO A 41 9.228 11.628 3.122 1.00 0.00 C ATOM 0 HA PRO A 41 7.939 9.114 4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.180 11.233 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.559 11.389 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.260 12.320 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.976 13.159 3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.508 11.895 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.012 12.008 3.778 1.00 0.00 H new ATOM 606 N ILE A 42 5.761 8.564 3.572 1.00 0.00 N ATOM 607 CA ILE A 42 4.733 7.900 2.781 1.00 0.00 C ATOM 608 C ILE A 42 3.581 8.850 2.468 1.00 0.00 C ATOM 609 O ILE A 42 2.560 8.848 3.155 1.00 0.00 O ATOM 610 CB ILE A 42 4.179 6.659 3.505 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.215 5.534 3.499 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.884 6.198 2.851 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.704 4.239 4.092 1.00 0.00 C ATOM 0 H ILE A 42 5.617 8.511 4.580 1.00 0.00 H new ATOM 0 HA ILE A 42 5.205 7.586 1.850 1.00 0.00 H new ATOM 0 HB ILE A 42 3.965 6.925 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.537 5.353 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.094 5.858 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.505 5.320 3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.146 6.998 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.073 5.945 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.491 3.486 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.409 4.405 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.843 3.892 3.521 1.00 0.00 H new ATOM 625 N GLU A 43 3.753 9.658 1.427 1.00 0.00 N ATOM 626 CA GLU A 43 2.726 10.611 1.023 1.00 0.00 C ATOM 627 C GLU A 43 1.340 9.975 1.079 1.00 0.00 C ATOM 628 O GLU A 43 0.412 10.533 1.664 1.00 0.00 O ATOM 629 CB GLU A 43 3.006 11.128 -0.390 1.00 0.00 C ATOM 630 CG GLU A 43 4.263 11.976 -0.490 1.00 0.00 C ATOM 631 CD GLU A 43 5.517 11.141 -0.657 1.00 0.00 C ATOM 632 OE1 GLU A 43 5.429 10.054 -1.268 1.00 0.00 O ATOM 633 OE2 GLU A 43 6.586 11.572 -0.178 1.00 0.00 O ATOM 0 H GLU A 43 4.593 9.672 0.848 1.00 0.00 H new ATOM 0 HA GLU A 43 2.750 11.449 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.096 10.279 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.153 11.716 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.170 12.659 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.356 12.589 0.407 1.00 0.00 H new ATOM 640 N GLY A 44 1.208 8.803 0.466 1.00 0.00 N ATOM 641 CA GLY A 44 -0.067 8.110 0.457 1.00 0.00 C ATOM 642 C GLY A 44 -0.445 7.574 1.823 1.00 0.00 C ATOM 643 O GLY A 44 0.244 7.828 2.811 1.00 0.00 O ATOM 0 H GLY A 44 1.961 8.321 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.844 8.790 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.024 7.285 -0.254 1.00 0.00 H new ATOM 647 N LYS A 45 -1.545 6.831 1.881 1.00 0.00 N ATOM 648 CA LYS A 45 -2.016 6.257 3.137 1.00 0.00 C ATOM 649 C LYS A 45 -0.968 5.325 3.735 1.00 0.00 C ATOM 650 O LYS A 45 0.028 4.999 3.089 1.00 0.00 O ATOM 651 CB LYS A 45 -3.325 5.496 2.914 1.00 0.00 C ATOM 652 CG LYS A 45 -4.565 6.354 3.090 1.00 0.00 C ATOM 653 CD LYS A 45 -5.068 6.321 4.524 1.00 0.00 C ATOM 654 CE LYS A 45 -6.276 7.225 4.712 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.269 6.635 5.653 1.00 0.00 N ATOM 0 H LYS A 45 -2.128 6.612 1.073 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.193 7.073 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.324 5.076 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.371 4.658 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.340 7.382 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.350 6.002 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.332 5.299 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.270 6.633 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.949 8.194 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.751 7.402 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.078 7.281 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.600 5.722 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.824 6.489 6.581 1.00 0.00 H new ATOM 669 N CYS A 46 -1.200 4.897 4.972 1.00 0.00 N ATOM 670 CA CYS A 46 -0.276 4.001 5.657 1.00 0.00 C ATOM 671 C CYS A 46 -0.930 2.650 5.929 1.00 0.00 C ATOM 672 O CYS A 46 -1.852 2.547 6.738 1.00 0.00 O ATOM 673 CB CYS A 46 0.194 4.627 6.971 1.00 0.00 C ATOM 674 SG CYS A 46 1.211 6.107 6.760 1.00 0.00 S ATOM 0 H CYS A 46 -2.020 5.156 5.520 1.00 0.00 H new ATOM 0 HA CYS A 46 0.586 3.843 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.679 4.881 7.573 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.763 3.885 7.532 1.00 0.00 H new ATOM 0 HG CYS A 46 1.558 6.565 7.926 1.00 0.00 H new ATOM 680 N TYR A 47 -0.448 1.618 5.247 1.00 0.00 N ATOM 681 CA TYR A 47 -0.988 0.273 5.412 1.00 0.00 C ATOM 682 C TYR A 47 -0.096 -0.565 6.322 1.00 0.00 C ATOM 683 O TYR A 47 1.104 -0.314 6.438 1.00 0.00 O ATOM 684 CB TYR A 47 -1.134 -0.411 4.051 1.00 0.00 C ATOM 685 CG TYR A 47 -2.065 0.314 3.106 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.812 1.624 2.718 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.197 -0.312 2.599 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.660 2.290 1.855 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.050 0.346 1.734 1.00 0.00 C ATOM 690 CZ TYR A 47 -3.778 1.647 1.366 1.00 0.00 C ATOM 691 OH TYR A 47 -4.624 2.307 0.504 1.00 0.00 O ATOM 0 H TYR A 47 0.316 1.686 4.574 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.971 0.358 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.151 -0.493 3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.501 -1.426 4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.937 2.130 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.414 -1.330 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.449 3.309 1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.925 -0.156 1.348 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.362 1.714 0.252 1.00 0.00 H new ATOM 701 N LYS A 48 -0.691 -1.563 6.967 1.00 0.00 N ATOM 702 CA LYS A 48 0.048 -2.441 7.866 1.00 0.00 C ATOM 703 C LYS A 48 -0.483 -3.869 7.790 1.00 0.00 C ATOM 704 O LYS A 48 -1.694 -4.094 7.819 1.00 0.00 O ATOM 705 CB LYS A 48 -0.045 -1.927 9.305 1.00 0.00 C ATOM 706 CG LYS A 48 1.059 -2.447 10.209 1.00 0.00 C ATOM 707 CD LYS A 48 1.198 -1.601 11.463 1.00 0.00 C ATOM 708 CE LYS A 48 0.022 -1.803 12.406 1.00 0.00 C ATOM 709 NZ LYS A 48 -0.262 -0.582 13.208 1.00 0.00 N ATOM 0 H LYS A 48 -1.683 -1.784 6.884 1.00 0.00 H new ATOM 0 HA LYS A 48 1.092 -2.443 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.012 -0.838 9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.010 -2.213 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.847 -3.479 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.004 -2.451 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.125 -1.858 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.268 -0.549 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.863 -2.073 11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.233 -2.637 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.130 -0.725 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.534 -0.397 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.388 0.230 12.571 1.00 0.00 H new ATOM 723 N CYS A 49 0.429 -4.830 7.694 1.00 0.00 N ATOM 724 CA CYS A 49 0.052 -6.237 7.615 1.00 0.00 C ATOM 725 C CYS A 49 -0.239 -6.801 9.003 1.00 0.00 C ATOM 726 O CYS A 49 0.597 -6.726 9.905 1.00 0.00 O ATOM 727 CB CYS A 49 1.164 -7.047 6.947 1.00 0.00 C ATOM 728 SG CYS A 49 0.722 -8.782 6.612 1.00 0.00 S ATOM 0 H CYS A 49 1.435 -4.661 7.669 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.854 -6.311 7.014 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.436 -6.565 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.048 -7.025 7.584 1.00 0.00 H new ATOM 0 HG CYS A 49 1.801 -9.506 6.577 1.00 0.00 H new ATOM 733 N THR A 50 -1.431 -7.366 9.168 1.00 0.00 N ATOM 734 CA THR A 50 -1.834 -7.942 10.445 1.00 0.00 C ATOM 735 C THR A 50 -1.410 -9.402 10.547 1.00 0.00 C ATOM 736 O THR A 50 -1.841 -10.121 11.449 1.00 0.00 O ATOM 737 CB THR A 50 -3.358 -7.845 10.649 1.00 0.00 C ATOM 738 OG1 THR A 50 -4.020 -8.854 9.878 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.872 -6.472 10.244 1.00 0.00 C ATOM 0 H THR A 50 -2.134 -7.437 8.433 1.00 0.00 H new ATOM 0 HA THR A 50 -1.334 -7.366 11.224 1.00 0.00 H new ATOM 0 HB THR A 50 -3.571 -7.998 11.707 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.748 -8.780 8.940 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.950 -6.428 10.397 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.387 -5.708 10.852 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.647 -6.295 9.192 1.00 0.00 H new ATOM 747 N GLU A 51 -0.563 -9.835 9.618 1.00 0.00 N ATOM 748 CA GLU A 51 -0.082 -11.211 9.606 1.00 0.00 C ATOM 749 C GLU A 51 1.440 -11.256 9.699 1.00 0.00 C ATOM 750 O GLU A 51 2.015 -12.232 10.182 1.00 0.00 O ATOM 751 CB GLU A 51 -0.547 -11.926 8.335 1.00 0.00 C ATOM 752 CG GLU A 51 -2.059 -12.010 8.203 1.00 0.00 C ATOM 753 CD GLU A 51 -2.509 -13.228 7.420 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.003 -14.334 7.702 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.366 -13.075 6.525 1.00 0.00 O ATOM 0 H GLU A 51 -0.196 -9.253 8.865 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.497 -11.722 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.143 -11.405 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.133 -12.934 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.506 -12.036 9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.428 -11.110 7.711 1.00 0.00 H new ATOM 762 N CYS A 52 2.087 -10.193 9.234 1.00 0.00 N ATOM 763 CA CYS A 52 3.543 -10.110 9.263 1.00 0.00 C ATOM 764 C CYS A 52 4.016 -9.292 10.461 1.00 0.00 C ATOM 765 O CYS A 52 3.216 -8.885 11.303 1.00 0.00 O ATOM 766 CB CYS A 52 4.065 -9.487 7.967 1.00 0.00 C ATOM 767 SG CYS A 52 3.940 -10.578 6.514 1.00 0.00 S ATOM 0 H CYS A 52 1.626 -9.376 8.832 1.00 0.00 H new ATOM 0 HA CYS A 52 3.939 -11.121 9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.510 -8.570 7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.108 -9.204 8.107 1.00 0.00 H new ATOM 0 HG CYS A 52 3.460 -9.908 5.508 1.00 0.00 H new ATOM 772 N ILE A 53 5.322 -9.055 10.529 1.00 0.00 N ATOM 773 CA ILE A 53 5.902 -8.284 11.622 1.00 0.00 C ATOM 774 C ILE A 53 6.571 -7.015 11.105 1.00 0.00 C ATOM 775 O ILE A 53 7.371 -7.060 10.171 1.00 0.00 O ATOM 776 CB ILE A 53 6.935 -9.113 12.408 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.331 -10.453 12.832 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.423 -8.337 13.622 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.369 -10.340 13.994 1.00 0.00 C ATOM 0 H ILE A 53 5.998 -9.386 9.841 1.00 0.00 H new ATOM 0 HA ILE A 53 5.083 -8.014 12.288 1.00 0.00 H new ATOM 0 HB ILE A 53 7.789 -9.311 11.760 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.811 -10.894 11.981 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.136 -11.136 13.102 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.152 -8.936 14.167 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.888 -7.407 13.296 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.579 -8.112 14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.979 -11.327 14.241 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.890 -9.929 14.859 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.544 -9.682 13.721 1.00 0.00 H new ATOM 791 N GLU A 54 6.240 -5.885 11.721 1.00 0.00 N ATOM 792 CA GLU A 54 6.810 -4.603 11.324 1.00 0.00 C ATOM 793 C GLU A 54 6.682 -4.394 9.818 1.00 0.00 C ATOM 794 O GLU A 54 7.589 -3.867 9.174 1.00 0.00 O ATOM 795 CB GLU A 54 8.281 -4.524 11.737 1.00 0.00 C ATOM 796 CG GLU A 54 8.492 -4.532 13.242 1.00 0.00 C ATOM 797 CD GLU A 54 8.426 -3.144 13.848 1.00 0.00 C ATOM 798 OE1 GLU A 54 8.844 -2.181 13.172 1.00 0.00 O ATOM 799 OE2 GLU A 54 7.954 -3.021 14.998 1.00 0.00 O ATOM 0 H GLU A 54 5.580 -5.831 12.497 1.00 0.00 H new ATOM 0 HA GLU A 54 6.254 -3.815 11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.818 -5.365 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.718 -3.616 11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.736 -5.164 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.461 -4.977 13.467 1.00 0.00 H new ATOM 806 N TYR A 55 5.549 -4.812 9.263 1.00 0.00 N ATOM 807 CA TYR A 55 5.303 -4.674 7.833 1.00 0.00 C ATOM 808 C TYR A 55 4.270 -3.585 7.561 1.00 0.00 C ATOM 809 O TYR A 55 3.199 -3.562 8.169 1.00 0.00 O ATOM 810 CB TYR A 55 4.825 -6.003 7.246 1.00 0.00 C ATOM 811 CG TYR A 55 5.189 -6.188 5.790 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.378 -5.683 4.781 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.344 -6.867 5.423 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.706 -5.850 3.450 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.681 -7.038 4.094 1.00 0.00 C ATOM 816 CZ TYR A 55 5.859 -6.528 3.111 1.00 0.00 C ATOM 817 OH TYR A 55 6.190 -6.696 1.786 1.00 0.00 O ATOM 0 H TYR A 55 4.787 -5.249 9.782 1.00 0.00 H new ATOM 0 HA TYR A 55 6.240 -4.389 7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.253 -6.821 7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.742 -6.069 7.352 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.475 -5.151 5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.990 -7.268 6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.063 -5.452 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.583 -7.568 3.826 1.00 0.00 H new ATOM 0 HH TYR A 55 7.031 -7.194 1.720 1.00 0.00 H new ATOM 827 N HIS A 56 4.599 -2.682 6.642 1.00 0.00 N ATOM 828 CA HIS A 56 3.700 -1.590 6.287 1.00 0.00 C ATOM 829 C HIS A 56 3.846 -1.224 4.813 1.00 0.00 C ATOM 830 O HIS A 56 4.958 -1.065 4.309 1.00 0.00 O ATOM 831 CB HIS A 56 3.982 -0.366 7.159 1.00 0.00 C ATOM 832 CG HIS A 56 4.236 -0.700 8.596 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.388 -1.318 9.034 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.477 -0.497 9.699 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.327 -1.482 10.343 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.178 -0.992 10.772 1.00 0.00 N ATOM 0 H HIS A 56 5.481 -2.685 6.130 1.00 0.00 H new ATOM 0 HA HIS A 56 2.677 -1.923 6.461 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.847 0.163 6.759 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.134 0.317 7.098 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.166 -1.604 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.502 -0.033 9.730 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.088 -1.939 10.958 1.00 0.00 H new ATOM 844 N LEU A 57 2.716 -1.092 4.127 1.00 0.00 N ATOM 845 CA LEU A 57 2.717 -0.745 2.710 1.00 0.00 C ATOM 846 C LEU A 57 2.101 0.632 2.486 1.00 0.00 C ATOM 847 O LEU A 57 1.456 1.188 3.375 1.00 0.00 O ATOM 848 CB LEU A 57 1.950 -1.797 1.906 1.00 0.00 C ATOM 849 CG LEU A 57 2.744 -3.035 1.489 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.901 -3.935 0.600 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.028 -2.630 0.778 1.00 0.00 C ATOM 0 H LEU A 57 1.787 -1.220 4.529 1.00 0.00 H new ATOM 0 HA LEU A 57 3.752 -0.719 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.093 -2.122 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.557 -1.322 1.007 1.00 0.00 H new ATOM 0 HG LEU A 57 3.010 -3.593 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.483 -4.811 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.011 -4.252 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.604 -3.388 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.581 -3.524 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.784 -2.050 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.640 -2.026 1.448 1.00 0.00 H new ATOM 863 N CYS A 58 2.303 1.177 1.290 1.00 0.00 N ATOM 864 CA CYS A 58 1.766 2.488 0.947 1.00 0.00 C ATOM 865 C CYS A 58 0.658 2.367 -0.095 1.00 0.00 C ATOM 866 O CYS A 58 0.688 1.478 -0.945 1.00 0.00 O ATOM 867 CB CYS A 58 2.879 3.396 0.421 1.00 0.00 C ATOM 868 SG CYS A 58 3.708 2.767 -1.074 1.00 0.00 S ATOM 0 H CYS A 58 2.835 0.730 0.543 1.00 0.00 H new ATOM 0 HA CYS A 58 1.344 2.928 1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.460 4.379 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.623 3.533 1.206 1.00 0.00 H new ATOM 0 HG CYS A 58 4.996 2.793 -0.900 1.00 0.00 H new ATOM 873 N GLN A 59 -0.316 3.268 -0.022 1.00 0.00 N ATOM 874 CA GLN A 59 -1.433 3.261 -0.959 1.00 0.00 C ATOM 875 C GLN A 59 -0.975 2.835 -2.350 1.00 0.00 C ATOM 876 O GLN A 59 -1.728 2.212 -3.097 1.00 0.00 O ATOM 877 CB GLN A 59 -2.080 4.646 -1.025 1.00 0.00 C ATOM 878 CG GLN A 59 -2.980 4.841 -2.235 1.00 0.00 C ATOM 879 CD GLN A 59 -4.298 4.105 -2.105 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.278 4.647 -1.593 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.331 2.861 -2.571 1.00 0.00 N ATOM 0 H GLN A 59 -0.354 4.011 0.675 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.169 2.540 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.663 4.809 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.296 5.403 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.174 5.905 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.461 4.495 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.496 2.450 -2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.192 2.317 -2.512 1.00 0.00 H new ATOM 890 N GLU A 60 0.264 3.175 -2.690 1.00 0.00 N ATOM 891 CA GLU A 60 0.821 2.827 -3.992 1.00 0.00 C ATOM 892 C GLU A 60 1.029 1.320 -4.110 1.00 0.00 C ATOM 893 O GLU A 60 0.339 0.645 -4.875 1.00 0.00 O ATOM 894 CB GLU A 60 2.149 3.555 -4.214 1.00 0.00 C ATOM 895 CG GLU A 60 2.428 3.882 -5.671 1.00 0.00 C ATOM 896 CD GLU A 60 3.796 4.502 -5.878 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.908 5.741 -5.772 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.754 3.748 -6.147 1.00 0.00 O ATOM 0 H GLU A 60 0.901 3.691 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 60 0.111 3.139 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.148 4.480 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.961 2.939 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.352 2.971 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.664 4.567 -6.039 1.00 0.00 H new ATOM 905 N CYS A 61 1.984 0.799 -3.348 1.00 0.00 N ATOM 906 CA CYS A 61 2.285 -0.628 -3.367 1.00 0.00 C ATOM 907 C CYS A 61 1.016 -1.454 -3.176 1.00 0.00 C ATOM 908 O CYS A 61 0.933 -2.597 -3.625 1.00 0.00 O ATOM 909 CB CYS A 61 3.298 -0.971 -2.273 1.00 0.00 C ATOM 910 SG CYS A 61 5.010 -0.488 -2.667 1.00 0.00 S ATOM 0 H CYS A 61 2.563 1.343 -2.709 1.00 0.00 H new ATOM 0 HA CYS A 61 2.713 -0.871 -4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.997 -0.480 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.268 -2.045 -2.089 1.00 0.00 H new ATOM 0 HG CYS A 61 5.615 -0.111 -1.580 1.00 0.00 H new ATOM 915 N PHE A 62 0.028 -0.866 -2.509 1.00 0.00 N ATOM 916 CA PHE A 62 -1.237 -1.546 -2.259 1.00 0.00 C ATOM 917 C PHE A 62 -2.028 -1.716 -3.552 1.00 0.00 C ATOM 918 O PHE A 62 -2.791 -2.670 -3.705 1.00 0.00 O ATOM 919 CB PHE A 62 -2.067 -0.765 -1.238 1.00 0.00 C ATOM 920 CG PHE A 62 -3.112 -1.598 -0.552 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.753 -2.526 0.413 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.452 -1.454 -0.872 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.712 -3.294 1.047 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.415 -2.219 -0.241 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.045 -3.141 0.718 1.00 0.00 C ATOM 0 H PHE A 62 0.080 0.080 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.016 -2.535 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.400 -0.342 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.553 0.072 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.712 -2.651 0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.748 -0.736 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.419 -4.013 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.457 -2.096 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.796 -3.741 1.210 1.00 0.00 H new ATOM 935 N ASP A 63 -1.841 -0.784 -4.480 1.00 0.00 N ATOM 936 CA ASP A 63 -2.536 -0.830 -5.761 1.00 0.00 C ATOM 937 C ASP A 63 -2.181 -2.101 -6.527 1.00 0.00 C ATOM 938 O ASP A 63 -2.967 -2.586 -7.341 1.00 0.00 O ATOM 939 CB ASP A 63 -2.186 0.400 -6.600 1.00 0.00 C ATOM 940 CG ASP A 63 -3.053 0.523 -7.837 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.253 0.188 -7.757 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.531 0.955 -8.886 1.00 0.00 O ATOM 0 H ASP A 63 -1.214 0.013 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.608 -0.833 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.299 1.296 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.139 0.347 -6.898 1.00 0.00 H new ATOM 947 N SER A 64 -0.993 -2.634 -6.261 1.00 0.00 N ATOM 948 CA SER A 64 -0.532 -3.845 -6.928 1.00 0.00 C ATOM 949 C SER A 64 -1.275 -5.071 -6.404 1.00 0.00 C ATOM 950 O SER A 64 -1.284 -6.124 -7.041 1.00 0.00 O ATOM 951 CB SER A 64 0.974 -4.023 -6.726 1.00 0.00 C ATOM 952 OG SER A 64 1.262 -4.484 -5.417 1.00 0.00 O ATOM 0 H SER A 64 -0.332 -2.246 -5.588 1.00 0.00 H new ATOM 0 HA SER A 64 -0.739 -3.744 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.361 -4.732 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.482 -3.075 -6.901 1.00 0.00 H new ATOM 0 HG SER A 64 1.365 -3.717 -4.815 1.00 0.00 H new ATOM 958 N TYR A 65 -1.897 -4.924 -5.240 1.00 0.00 N ATOM 959 CA TYR A 65 -2.641 -6.019 -4.628 1.00 0.00 C ATOM 960 C TYR A 65 -1.787 -7.280 -4.548 1.00 0.00 C ATOM 961 O TYR A 65 -2.274 -8.388 -4.777 1.00 0.00 O ATOM 962 CB TYR A 65 -3.917 -6.302 -5.422 1.00 0.00 C ATOM 963 CG TYR A 65 -5.079 -5.415 -5.036 1.00 0.00 C ATOM 964 CD1 TYR A 65 -5.057 -4.052 -5.304 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.200 -5.940 -4.404 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.116 -3.238 -4.953 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.264 -5.134 -4.051 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.218 -3.783 -4.327 1.00 0.00 C ATOM 969 OH TYR A 65 -8.275 -2.976 -3.976 1.00 0.00 O ATOM 0 H TYR A 65 -1.901 -4.058 -4.701 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.910 -5.721 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.710 -6.174 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.202 -7.344 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.197 -3.622 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.240 -6.997 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.082 -2.180 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.128 -5.559 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.970 -3.516 -3.545 1.00 0.00 H new ATOM 979 N CYS A 66 -0.511 -7.104 -4.222 1.00 0.00 N ATOM 980 CA CYS A 66 0.412 -8.227 -4.112 1.00 0.00 C ATOM 981 C CYS A 66 0.371 -8.830 -2.712 1.00 0.00 C ATOM 982 O CYS A 66 0.033 -10.002 -2.539 1.00 0.00 O ATOM 983 CB CYS A 66 1.836 -7.779 -4.445 1.00 0.00 C ATOM 984 SG CYS A 66 2.968 -9.136 -4.826 1.00 0.00 S ATOM 0 H CYS A 66 -0.093 -6.194 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 66 0.102 -8.990 -4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.802 -7.099 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.234 -7.214 -3.602 1.00 0.00 H new ATOM 0 HG CYS A 66 4.145 -8.656 -5.096 1.00 0.00 H new ATOM 990 N HIS A 67 0.717 -8.023 -1.714 1.00 0.00 N ATOM 991 CA HIS A 67 0.720 -8.477 -0.328 1.00 0.00 C ATOM 992 C HIS A 67 -0.704 -8.677 0.181 1.00 0.00 C ATOM 993 O HIS A 67 -0.918 -9.252 1.249 1.00 0.00 O ATOM 994 CB HIS A 67 1.455 -7.471 0.558 1.00 0.00 C ATOM 995 CG HIS A 67 2.133 -8.096 1.738 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.463 -7.890 2.038 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.657 -8.926 2.696 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.776 -8.567 3.129 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.698 -9.204 3.548 1.00 0.00 N ATOM 0 H HIS A 67 0.999 -7.051 -1.839 1.00 0.00 H new ATOM 0 HA HIS A 67 1.239 -9.434 -0.286 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.198 -6.946 -0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.745 -6.723 0.911 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.105 -7.306 1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.647 -9.300 2.775 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.748 -8.595 3.598 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.675 -8.199 -0.589 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.080 -8.324 -0.216 1.00 0.00 C ATOM 1009 C LEU A 68 -3.369 -9.708 0.358 1.00 0.00 C ATOM 1010 O LEU A 68 -4.321 -9.889 1.117 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.975 -8.065 -1.429 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.388 -6.611 -1.660 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.694 -6.306 -0.942 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.289 -5.665 -1.198 1.00 0.00 C ATOM 0 H LEU A 68 -1.515 -7.721 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.295 -7.580 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.457 -8.421 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.878 -8.666 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.542 -6.462 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.972 -5.267 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.479 -6.961 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.568 -6.472 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.600 -4.635 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.103 -5.815 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.376 -5.867 -1.758 1.00 0.00 H new ATOM 1026 N SER A 69 -2.540 -10.680 -0.008 1.00 0.00 N ATOM 1027 CA SER A 69 -2.708 -12.047 0.469 1.00 0.00 C ATOM 1028 C SER A 69 -2.936 -12.072 1.977 1.00 0.00 C ATOM 1029 O SER A 69 -3.567 -12.989 2.506 1.00 0.00 O ATOM 1030 CB SER A 69 -1.480 -12.888 0.114 1.00 0.00 C ATOM 1031 OG SER A 69 -1.224 -13.864 1.110 1.00 0.00 O ATOM 0 H SER A 69 -1.745 -10.546 -0.633 1.00 0.00 H new ATOM 0 HA SER A 69 -3.584 -12.471 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.636 -13.377 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.611 -12.240 0.004 1.00 0.00 H new ATOM 0 HG SER A 69 -0.435 -14.389 0.859 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.419 -11.059 2.665 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.567 -10.963 4.113 1.00 0.00 C ATOM 1039 C HIS A 70 -3.508 -9.823 4.489 1.00 0.00 C ATOM 1040 O HIS A 70 -3.607 -8.824 3.775 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.204 -10.753 4.773 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.313 -11.955 4.703 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.990 -11.954 5.154 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.545 -13.203 4.232 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.522 -13.148 4.963 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.610 -13.925 4.405 1.00 0.00 N ATOM 0 H HIS A 70 -1.894 -10.293 2.243 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.996 -11.898 4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.703 -9.912 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.353 -10.482 5.818 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.469 -11.155 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.467 -13.564 3.800 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.530 -13.439 5.219 1.00 0.00 H new ATOM 1054 N THR A 71 -4.199 -9.978 5.614 1.00 0.00 N ATOM 1055 CA THR A 71 -5.133 -8.963 6.083 1.00 0.00 C ATOM 1056 C THR A 71 -4.403 -7.685 6.480 1.00 0.00 C ATOM 1057 O THR A 71 -3.814 -7.605 7.558 1.00 0.00 O ATOM 1058 CB THR A 71 -5.953 -9.468 7.286 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.444 -10.788 7.026 1.00 0.00 O ATOM 1060 CG2 THR A 71 -7.120 -8.535 7.575 1.00 0.00 C ATOM 0 H THR A 71 -4.129 -10.797 6.217 1.00 0.00 H new ATOM 0 HA THR A 71 -5.809 -8.749 5.255 1.00 0.00 H new ATOM 0 HB THR A 71 -5.300 -9.490 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.962 -11.102 7.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.684 -8.912 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.741 -7.538 7.802 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.771 -8.486 6.702 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.447 -6.688 5.604 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.789 -5.413 5.863 1.00 0.00 C ATOM 1070 C PHE A 72 -4.752 -4.427 6.519 1.00 0.00 C ATOM 1071 O PHE A 72 -5.952 -4.684 6.614 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.245 -4.821 4.561 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.844 -5.260 4.243 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.469 -6.586 4.387 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.901 -4.346 3.799 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.181 -6.993 4.095 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.388 -4.747 3.505 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.749 -6.072 3.654 1.00 0.00 C ATOM 0 H PHE A 72 -4.932 -6.738 4.708 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.959 -5.594 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.902 -5.106 3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.270 -3.733 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.192 -7.310 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.177 -3.309 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.098 -8.030 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.113 -4.025 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.757 -6.387 3.426 1.00 0.00 H new ATOM 1088 N THR A 73 -4.216 -3.298 6.972 1.00 0.00 N ATOM 1089 CA THR A 73 -5.025 -2.274 7.621 1.00 0.00 C ATOM 1090 C THR A 73 -4.497 -0.878 7.312 1.00 0.00 C ATOM 1091 O THR A 73 -3.288 -0.644 7.322 1.00 0.00 O ATOM 1092 CB THR A 73 -5.061 -2.471 9.148 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.747 -2.768 9.635 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.013 -3.595 9.527 1.00 0.00 C ATOM 0 H THR A 73 -3.224 -3.070 6.901 1.00 0.00 H new ATOM 0 HA THR A 73 -6.036 -2.372 7.226 1.00 0.00 H new ATOM 0 HB THR A 73 -5.417 -1.546 9.603 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.778 -2.890 10.607 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.021 -3.715 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.018 -3.353 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.683 -4.524 9.062 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.410 0.048 7.039 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.036 1.422 6.727 1.00 0.00 C ATOM 1104 C PHE A 74 -5.321 2.345 7.908 1.00 0.00 C ATOM 1105 O PHE A 74 -6.143 2.032 8.770 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.793 1.911 5.490 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.209 2.320 5.776 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.203 1.366 5.927 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.547 3.658 5.894 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.507 1.739 6.191 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.850 4.037 6.158 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.831 3.077 6.306 1.00 0.00 C ATOM 0 H PHE A 74 -6.415 -0.128 7.028 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.966 1.443 6.522 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.259 2.758 5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.796 1.120 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.955 0.319 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.784 4.414 5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.272 0.986 6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.100 5.084 6.248 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.850 3.371 6.511 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.634 3.483 7.941 1.00 0.00 N ATOM 1123 CA ARG A 75 -4.811 4.450 9.017 1.00 0.00 C ATOM 1124 C ARG A 75 -5.257 5.801 8.465 1.00 0.00 C ATOM 1125 O ARG A 75 -4.721 6.282 7.468 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.510 4.614 9.804 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.472 5.468 9.094 1.00 0.00 C ATOM 1128 CD ARG A 75 -2.602 6.934 9.477 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.325 7.638 9.387 1.00 0.00 N ATOM 1130 CZ ARG A 75 -1.068 8.777 10.021 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.995 9.338 10.786 1.00 0.00 N ATOM 1132 NH2 ARG A 75 0.118 9.358 9.890 1.00 0.00 N ATOM 0 H ARG A 75 -3.950 3.757 7.235 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.586 4.075 9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.735 5.061 10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.086 3.629 9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.473 5.112 9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.587 5.361 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.329 7.416 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.987 7.010 10.494 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.591 7.233 8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.908 8.895 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.795 10.212 11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.833 8.930 9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.314 10.232 10.377 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.243 6.407 9.121 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.761 7.701 8.694 1.00 0.00 C ATOM 1148 C GLU A 76 -5.877 8.836 9.203 1.00 0.00 C ATOM 1149 O GLU A 76 -5.024 8.634 10.068 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.194 7.892 9.196 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.235 7.175 8.353 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.638 7.325 8.907 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -11.083 8.477 9.094 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.292 6.290 9.152 1.00 0.00 O ATOM 0 H GLU A 76 -6.698 6.022 9.949 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.759 7.723 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.261 7.534 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.425 8.957 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.206 7.567 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.983 6.116 8.294 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.086 10.030 8.660 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.310 11.199 9.058 1.00 0.00 C ATOM 1163 C LYS A 77 -5.268 11.333 10.577 1.00 0.00 C ATOM 1164 O LYS A 77 -6.060 10.713 11.286 1.00 0.00 O ATOM 1165 CB LYS A 77 -5.906 12.466 8.440 1.00 0.00 C ATOM 1166 CG LYS A 77 -7.359 12.701 8.814 1.00 0.00 C ATOM 1167 CD LYS A 77 -7.906 13.961 8.165 1.00 0.00 C ATOM 1168 CE LYS A 77 -9.134 14.478 8.898 1.00 0.00 C ATOM 1169 NZ LYS A 77 -10.332 13.632 8.638 1.00 0.00 N ATOM 0 H LYS A 77 -6.787 10.214 7.942 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.291 11.069 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.315 13.326 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.825 12.403 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.958 11.843 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.448 12.781 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.135 14.731 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.162 13.755 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.933 14.504 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.338 15.502 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.148 14.017 9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.539 13.627 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.147 12.660 8.958 1.00 0.00 H new ATOM 1183 N ARG A 78 -4.339 12.146 11.069 1.00 0.00 N ATOM 1184 CA ARG A 78 -4.194 12.361 12.503 1.00 0.00 C ATOM 1185 C ARG A 78 -5.558 12.398 13.188 1.00 0.00 C ATOM 1186 O ARG A 78 -6.571 12.698 12.559 1.00 0.00 O ATOM 1187 CB ARG A 78 -3.442 13.666 12.772 1.00 0.00 C ATOM 1188 CG ARG A 78 -1.950 13.576 12.495 1.00 0.00 C ATOM 1189 CD ARG A 78 -1.200 12.978 13.675 1.00 0.00 C ATOM 1190 NE ARG A 78 0.246 13.140 13.543 1.00 0.00 N ATOM 1191 CZ ARG A 78 0.864 14.312 13.625 1.00 0.00 C ATOM 1192 NH1 ARG A 78 0.167 15.420 13.837 1.00 0.00 N ATOM 1193 NH2 ARG A 78 2.183 14.379 13.495 1.00 0.00 N ATOM 0 H ARG A 78 -3.676 12.667 10.495 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.622 11.529 12.913 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.871 14.456 12.156 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.593 13.955 13.812 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.780 12.967 11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.558 14.570 12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.536 13.454 14.597 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.440 11.918 13.758 1.00 0.00 H new ATOM 0 HE ARG A 78 0.812 12.307 13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.847 15.373 13.938 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.645 16.319 13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.723 13.529 13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.657 15.280 13.558 1.00 0.00 H new ATOM 1207 N ASN A 79 -5.573 12.089 14.481 1.00 0.00 N ATOM 1208 CA ASN A 79 -6.812 12.085 15.251 1.00 0.00 C ATOM 1209 C ASN A 79 -7.739 10.967 14.785 1.00 0.00 C ATOM 1210 O ASN A 79 -8.961 11.113 14.803 1.00 0.00 O ATOM 1211 CB ASN A 79 -7.519 13.436 15.124 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.454 13.710 16.286 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -8.985 12.786 16.902 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -8.659 14.986 16.592 1.00 0.00 N ATOM 0 H ASN A 79 -4.742 11.838 15.017 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.560 11.911 16.297 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.774 14.229 15.066 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.084 13.461 14.192 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.278 15.232 17.365 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.198 15.720 16.054 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.149 9.851 14.368 1.00 0.00 N ATOM 1222 CA GLN A 80 -7.922 8.709 13.896 1.00 0.00 C ATOM 1223 C GLN A 80 -7.249 7.397 14.289 1.00 0.00 C ATOM 1224 O GLN A 80 -6.125 7.389 14.790 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.093 8.773 12.378 1.00 0.00 C ATOM 1226 CG GLN A 80 -8.644 10.101 11.884 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.060 10.360 12.359 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -10.829 9.426 12.590 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.412 11.631 12.508 1.00 0.00 N ATOM 0 H GLN A 80 -6.138 9.714 14.348 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.905 8.748 14.366 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.129 8.590 11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.761 7.972 12.062 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.997 10.908 12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.622 10.116 10.794 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.742 12.373 12.305 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.352 11.866 12.826 1.00 0.00 H new ATOM 1238 N LYS A 81 -7.945 6.289 14.058 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.416 4.971 14.386 1.00 0.00 C ATOM 1240 C LYS A 81 -7.419 4.063 13.160 1.00 0.00 C ATOM 1241 O LYS A 81 -7.982 4.409 12.122 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.239 4.333 15.508 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.172 5.095 16.820 1.00 0.00 C ATOM 1244 CD LYS A 81 -8.353 4.169 18.012 1.00 0.00 C ATOM 1245 CE LYS A 81 -8.942 4.906 19.205 1.00 0.00 C ATOM 1246 NZ LYS A 81 -10.422 5.039 19.100 1.00 0.00 N ATOM 0 H LYS A 81 -8.877 6.278 13.645 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.387 5.094 14.723 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.279 4.264 15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.887 3.314 15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.212 5.605 16.897 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.944 5.864 16.835 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.006 3.341 17.735 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.391 3.737 18.288 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.689 4.373 20.122 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.493 5.896 19.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.785 5.547 19.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.663 5.570 18.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.853 4.094 19.056 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.788 2.901 13.289 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.719 1.944 12.191 1.00 0.00 C ATOM 1262 C TRP A 82 -8.087 1.328 11.919 1.00 0.00 C ATOM 1263 O TRP A 82 -9.030 1.524 12.686 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.705 0.843 12.510 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.405 1.369 13.038 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.113 1.681 14.335 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.221 1.645 12.281 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.820 2.135 14.430 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.251 2.121 13.184 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -2.886 1.535 10.929 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.971 2.487 12.777 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.615 1.898 10.526 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.670 2.369 11.447 1.00 0.00 C ATOM 0 H TRP A 82 -6.317 2.599 14.142 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.397 2.477 11.297 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.138 0.162 13.243 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.514 0.262 11.608 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.798 1.585 15.164 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.358 2.434 15.289 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.608 1.173 10.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.242 2.851 13.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.345 1.817 9.483 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.315 2.644 11.101 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.189 0.583 10.823 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.443 -0.060 10.450 1.00 0.00 C ATOM 1286 C ARG A 83 -9.257 -0.942 9.219 1.00 0.00 C ATOM 1287 O ARG A 83 -8.538 -0.580 8.287 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.520 0.992 10.179 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.011 2.199 9.407 1.00 0.00 C ATOM 1290 CD ARG A 83 -10.737 3.470 9.820 1.00 0.00 C ATOM 1291 NE ARG A 83 -10.336 3.922 11.150 1.00 0.00 N ATOM 1292 CZ ARG A 83 -11.039 4.784 11.876 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -12.171 5.286 11.403 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -10.609 5.147 13.078 1.00 0.00 N ATOM 0 H ARG A 83 -7.418 0.410 10.178 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.761 -0.689 11.282 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.334 0.531 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.936 1.328 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.941 2.317 9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.146 2.032 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.533 4.256 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.813 3.294 9.806 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.469 3.556 11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.504 5.011 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.709 5.948 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.738 4.764 13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.150 5.809 13.635 1.00 0.00 H new ATOM 1308 N SER A 84 -9.908 -2.100 9.223 1.00 0.00 N ATOM 1309 CA SER A 84 -9.811 -3.035 8.108 1.00 0.00 C ATOM 1310 C SER A 84 -9.989 -2.314 6.776 1.00 0.00 C ATOM 1311 O SER A 84 -10.458 -1.175 6.731 1.00 0.00 O ATOM 1312 CB SER A 84 -10.862 -4.138 8.248 1.00 0.00 C ATOM 1313 OG SER A 84 -10.494 -5.071 9.249 1.00 0.00 O ATOM 0 H SER A 84 -10.508 -2.414 9.986 1.00 0.00 H new ATOM 0 HA SER A 84 -8.818 -3.484 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.827 -3.696 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.983 -4.652 7.294 1.00 0.00 H new ATOM 0 HG SER A 84 -11.183 -5.764 9.319 1.00 0.00 H new