USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=24 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 35 ASN : amide:sc= -1.32 K(o=-9.6,f=-13!) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -8.24! C(o=-9.6!,f=-12!) USER MOD Set 2.1: A 49 CYS SG : rot -154:sc= -1.39 USER MOD Set 2.2: A 52 CYS SG : rot 135:sc= 0.907 USER MOD Set 2.3: A 55 TYR OH : rot 180:sc= 0.162 USER MOD Set 2.4: A 67 HIS : no HE2:sc= -12.7! C(o=-13!,f=-14!) USER MOD Set 2.5: A 70 HIS : no HE2:sc= -0.102 X(o=-13,f=-13) USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 59 GLN : amide:sc= 1.04 K(o=1,f=-0.05) USER MOD Set 4.1: A 34 CYS SG : rot 135:sc= -3.69! USER MOD Set 4.2: A 37 CYS SG : rot -66:sc= -0.764! USER MOD Set 4.3: A 58 CYS SG : rot -129:sc= 0.864 USER MOD Set 4.4: A 61 CYS SG : rot 149:sc= -0.038 USER MOD Single : A 36 ASN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.272) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0916) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0862 (180deg=-0.423) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.951 USER MOD Single : A 64 SER OG : rot 180:sc= 0 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 69 SER OG : rot 180:sc= 0.00415 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+ -176:sc= 0 (180deg=-0.00915) USER MOD Single : A 79 ASN : amide:sc= -7.69! C(o=-7.7!,f=-6.1!) USER MOD Single : A 80 GLN : amide:sc= -2.06 K(o=-2.1,f=-3.8!) 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 5.497 11.303 9.423 1.00 0.00 N ATOM 427 CA LEU A 30 6.578 10.331 9.541 1.00 0.00 C ATOM 428 C LEU A 30 6.033 8.907 9.545 1.00 0.00 C ATOM 429 O LEU A 30 6.591 8.016 8.906 1.00 0.00 O ATOM 430 CB LEU A 30 7.382 10.585 10.818 1.00 0.00 C ATOM 431 CG LEU A 30 7.870 12.018 11.030 1.00 0.00 C ATOM 432 CD1 LEU A 30 7.956 12.339 12.514 1.00 0.00 C ATOM 433 CD2 LEU A 30 9.219 12.227 10.358 1.00 0.00 C ATOM 0 HA LEU A 30 7.233 10.447 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.768 10.302 11.673 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.249 9.924 10.815 1.00 0.00 H new ATOM 0 HG LEU A 30 7.150 12.698 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.305 13.363 12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.971 12.231 12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.654 11.653 12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.551 13.253 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.948 11.538 10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.125 12.040 9.288 1.00 0.00 H new ATOM 445 N GLY A 31 4.937 8.700 10.268 1.00 0.00 N ATOM 446 CA GLY A 31 4.333 7.382 10.340 1.00 0.00 C ATOM 447 C GLY A 31 5.350 6.269 10.187 1.00 0.00 C ATOM 448 O GLY A 31 6.254 6.127 11.011 1.00 0.00 O ATOM 0 H GLY A 31 4.456 9.421 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.820 7.272 11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.577 7.289 9.560 1.00 0.00 H new ATOM 452 N ILE A 32 5.202 5.476 9.131 1.00 0.00 N ATOM 453 CA ILE A 32 6.116 4.370 8.873 1.00 0.00 C ATOM 454 C ILE A 32 6.338 4.177 7.377 1.00 0.00 C ATOM 455 O ILE A 32 5.403 4.205 6.577 1.00 0.00 O ATOM 456 CB ILE A 32 5.590 3.054 9.477 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.482 3.172 10.998 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.498 1.895 9.093 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.428 2.271 11.601 1.00 0.00 C ATOM 0 H ILE A 32 4.458 5.579 8.441 1.00 0.00 H new ATOM 0 HA ILE A 32 7.063 4.626 9.348 1.00 0.00 H new ATOM 0 HB ILE A 32 4.595 2.859 9.076 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.449 2.934 11.442 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.257 4.206 11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.113 0.972 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.528 1.800 8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.504 2.081 9.469 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.408 2.408 12.682 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.453 2.523 11.185 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.663 1.232 11.371 1.00 0.00 H new ATOM 471 N PRO A 33 7.605 3.973 6.989 1.00 0.00 N ATOM 472 CA PRO A 33 7.981 3.769 5.586 1.00 0.00 C ATOM 473 C PRO A 33 7.496 2.427 5.046 1.00 0.00 C ATOM 474 O PRO A 33 7.234 1.498 5.810 1.00 0.00 O ATOM 475 CB PRO A 33 9.510 3.812 5.618 1.00 0.00 C ATOM 476 CG PRO A 33 9.872 3.408 7.006 1.00 0.00 C ATOM 477 CD PRO A 33 8.770 3.927 7.888 1.00 0.00 C ATOM 0 HA PRO A 33 7.534 4.517 4.931 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.941 3.132 4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.883 4.810 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.959 2.325 7.087 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.835 3.828 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.594 3.270 8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.007 4.912 8.289 1.00 0.00 H new ATOM 485 N CYS A 34 7.381 2.333 3.726 1.00 0.00 N ATOM 486 CA CYS A 34 6.928 1.106 3.083 1.00 0.00 C ATOM 487 C CYS A 34 7.946 -0.015 3.273 1.00 0.00 C ATOM 488 O CYS A 34 9.140 0.237 3.433 1.00 0.00 O ATOM 489 CB CYS A 34 6.690 1.345 1.591 1.00 0.00 C ATOM 490 SG CYS A 34 5.776 0.005 0.760 1.00 0.00 S ATOM 0 H CYS A 34 7.596 3.093 3.080 1.00 0.00 H new ATOM 0 HA CYS A 34 5.990 0.805 3.550 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.139 2.277 1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.653 1.475 1.097 1.00 0.00 H new ATOM 0 HG CYS A 34 4.850 0.515 0.004 1.00 0.00 H new ATOM 495 N ASN A 35 7.465 -1.254 3.255 1.00 0.00 N ATOM 496 CA ASN A 35 8.332 -2.414 3.426 1.00 0.00 C ATOM 497 C ASN A 35 8.750 -2.984 2.074 1.00 0.00 C ATOM 498 O ASN A 35 9.754 -3.688 1.970 1.00 0.00 O ATOM 499 CB ASN A 35 7.622 -3.491 4.249 1.00 0.00 C ATOM 500 CG ASN A 35 7.864 -3.334 5.738 1.00 0.00 C ATOM 501 OD1 ASN A 35 7.417 -2.365 6.352 1.00 0.00 O ATOM 502 ND2 ASN A 35 8.575 -4.290 6.325 1.00 0.00 N ATOM 0 H ASN A 35 6.479 -1.480 3.124 1.00 0.00 H new ATOM 0 HA ASN A 35 9.228 -2.092 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.551 -3.448 4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.966 -4.475 3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.771 -4.239 7.325 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.925 -5.075 5.776 1.00 0.00 H new ATOM 509 N ASN A 36 7.974 -2.674 1.041 1.00 0.00 N ATOM 510 CA ASN A 36 8.263 -3.155 -0.305 1.00 0.00 C ATOM 511 C ASN A 36 9.117 -2.149 -1.070 1.00 0.00 C ATOM 512 O ASN A 36 10.312 -2.362 -1.277 1.00 0.00 O ATOM 513 CB ASN A 36 6.962 -3.421 -1.065 1.00 0.00 C ATOM 514 CG ASN A 36 7.109 -4.524 -2.095 1.00 0.00 C ATOM 515 OD1 ASN A 36 6.465 -5.568 -1.999 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.961 -4.296 -3.088 1.00 0.00 N ATOM 0 H ASN A 36 7.140 -2.091 1.110 1.00 0.00 H new ATOM 0 HA ASN A 36 8.821 -4.087 -0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.179 -3.692 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.640 -2.505 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.102 -5.002 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.474 -3.415 -3.128 1.00 0.00 H new ATOM 523 N CYS A 37 8.495 -1.051 -1.488 1.00 0.00 N ATOM 524 CA CYS A 37 9.196 -0.011 -2.231 1.00 0.00 C ATOM 525 C CYS A 37 10.116 0.787 -1.312 1.00 0.00 C ATOM 526 O CYS A 37 11.122 1.345 -1.753 1.00 0.00 O ATOM 527 CB CYS A 37 8.193 0.927 -2.906 1.00 0.00 C ATOM 528 SG CYS A 37 7.371 2.083 -1.763 1.00 0.00 S ATOM 0 H CYS A 37 7.507 -0.859 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 37 9.804 -0.493 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.709 1.500 -3.676 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.434 0.328 -3.409 1.00 0.00 H new ATOM 0 HG CYS A 37 6.617 1.417 -0.940 1.00 0.00 H new ATOM 533 N LYS A 38 9.766 0.837 -0.032 1.00 0.00 N ATOM 534 CA LYS A 38 10.560 1.565 0.952 1.00 0.00 C ATOM 535 C LYS A 38 10.482 3.068 0.708 1.00 0.00 C ATOM 536 O LYS A 38 11.489 3.772 0.792 1.00 0.00 O ATOM 537 CB LYS A 38 12.019 1.104 0.902 1.00 0.00 C ATOM 538 CG LYS A 38 12.183 -0.404 0.981 1.00 0.00 C ATOM 539 CD LYS A 38 11.706 -0.948 2.317 1.00 0.00 C ATOM 540 CE LYS A 38 12.462 -2.209 2.707 1.00 0.00 C ATOM 541 NZ LYS A 38 12.032 -2.724 4.037 1.00 0.00 N ATOM 0 H LYS A 38 8.937 0.382 0.350 1.00 0.00 H new ATOM 0 HA LYS A 38 10.152 1.353 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.473 1.463 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.565 1.564 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.621 -0.875 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.231 -0.665 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.839 -0.189 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.639 -1.164 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.301 -2.977 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.532 -2.000 2.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.727 -3.417 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.967 -1.934 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.102 -3.181 3.948 1.00 0.00 H new ATOM 555 N GLN A 39 9.282 3.554 0.408 1.00 0.00 N ATOM 556 CA GLN A 39 9.075 4.974 0.154 1.00 0.00 C ATOM 557 C GLN A 39 8.913 5.743 1.461 1.00 0.00 C ATOM 558 O GLN A 39 8.041 5.432 2.272 1.00 0.00 O ATOM 559 CB GLN A 39 7.843 5.181 -0.729 1.00 0.00 C ATOM 560 CG GLN A 39 7.635 6.626 -1.154 1.00 0.00 C ATOM 561 CD GLN A 39 6.967 6.745 -2.510 1.00 0.00 C ATOM 562 OE1 GLN A 39 7.545 6.378 -3.534 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.744 7.260 -2.525 1.00 0.00 N ATOM 0 H GLN A 39 8.439 2.985 0.335 1.00 0.00 H new ATOM 0 HA GLN A 39 9.954 5.357 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.936 4.559 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.959 4.838 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.027 7.136 -0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.599 7.135 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.302 7.551 -1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.246 7.365 -3.409 1.00 0.00 H new ATOM 572 N PHE A 40 9.759 6.749 1.658 1.00 0.00 N ATOM 573 CA PHE A 40 9.711 7.562 2.868 1.00 0.00 C ATOM 574 C PHE A 40 10.109 9.004 2.570 1.00 0.00 C ATOM 575 O PHE A 40 11.162 9.278 1.993 1.00 0.00 O ATOM 576 CB PHE A 40 10.634 6.977 3.938 1.00 0.00 C ATOM 577 CG PHE A 40 10.137 7.189 5.340 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.825 6.898 5.675 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.983 7.680 6.322 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.364 7.091 6.964 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.528 7.875 7.612 1.00 0.00 C ATOM 582 CZ PHE A 40 9.217 7.582 7.933 1.00 0.00 C ATOM 0 H PHE A 40 10.486 7.021 0.996 1.00 0.00 H new ATOM 0 HA PHE A 40 8.686 7.556 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.751 5.908 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.622 7.427 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.154 6.516 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.009 7.913 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.339 6.858 7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.197 8.256 8.369 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.859 7.737 8.940 1.00 0.00 H new ATOM 592 N PRO A 41 9.247 9.951 2.970 1.00 0.00 N ATOM 593 CA PRO A 41 7.990 9.637 3.657 1.00 0.00 C ATOM 594 C PRO A 41 6.978 8.967 2.734 1.00 0.00 C ATOM 595 O PRO A 41 7.166 8.924 1.518 1.00 0.00 O ATOM 596 CB PRO A 41 7.479 11.009 4.105 1.00 0.00 C ATOM 597 CG PRO A 41 8.091 11.972 3.148 1.00 0.00 C ATOM 598 CD PRO A 41 9.433 11.400 2.784 1.00 0.00 C ATOM 0 HA PRO A 41 8.137 8.933 4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.391 11.056 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.777 11.227 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.466 12.093 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.197 12.958 3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.708 11.641 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.223 11.789 3.426 1.00 0.00 H new ATOM 606 N ILE A 42 5.905 8.447 3.320 1.00 0.00 N ATOM 607 CA ILE A 42 4.862 7.780 2.549 1.00 0.00 C ATOM 608 C ILE A 42 3.726 8.742 2.215 1.00 0.00 C ATOM 609 O ILE A 42 2.700 8.765 2.894 1.00 0.00 O ATOM 610 CB ILE A 42 4.288 6.569 3.308 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.316 5.436 3.356 1.00 0.00 C ATOM 612 CG2 ILE A 42 3.000 6.095 2.652 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.775 4.155 3.950 1.00 0.00 C ATOM 0 H ILE A 42 5.735 8.474 4.325 1.00 0.00 H new ATOM 0 HA ILE A 42 5.325 7.433 1.625 1.00 0.00 H new ATOM 0 HB ILE A 42 4.062 6.873 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.672 5.236 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.177 5.762 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.606 5.239 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.267 6.902 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.202 5.804 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.557 3.396 3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.445 4.339 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.932 3.805 3.354 1.00 0.00 H new ATOM 625 N GLU A 43 3.917 9.532 1.164 1.00 0.00 N ATOM 626 CA GLU A 43 2.907 10.494 0.739 1.00 0.00 C ATOM 627 C GLU A 43 1.510 9.887 0.817 1.00 0.00 C ATOM 628 O GLU A 43 0.607 10.455 1.430 1.00 0.00 O ATOM 629 CB GLU A 43 3.191 10.969 -0.688 1.00 0.00 C ATOM 630 CG GLU A 43 4.422 11.852 -0.802 1.00 0.00 C ATOM 631 CD GLU A 43 4.136 13.299 -0.452 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.500 13.541 0.596 1.00 0.00 O ATOM 633 OE2 GLU A 43 4.548 14.190 -1.224 1.00 0.00 O ATOM 0 H GLU A 43 4.761 9.525 0.591 1.00 0.00 H new ATOM 0 HA GLU A 43 2.950 11.349 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.317 10.099 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.325 11.518 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.201 11.470 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.810 11.798 -1.819 1.00 0.00 H new ATOM 640 N GLY A 44 1.339 8.727 0.189 1.00 0.00 N ATOM 641 CA GLY A 44 0.050 8.061 0.198 1.00 0.00 C ATOM 642 C GLY A 44 -0.330 7.551 1.574 1.00 0.00 C ATOM 643 O GLY A 44 0.371 7.805 2.554 1.00 0.00 O ATOM 0 H GLY A 44 2.071 8.237 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.715 8.753 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.071 7.226 -0.502 1.00 0.00 H new ATOM 647 N LYS A 45 -1.443 6.829 1.649 1.00 0.00 N ATOM 648 CA LYS A 45 -1.916 6.282 2.915 1.00 0.00 C ATOM 649 C LYS A 45 -0.884 5.334 3.518 1.00 0.00 C ATOM 650 O LYS A 45 0.144 5.047 2.902 1.00 0.00 O ATOM 651 CB LYS A 45 -3.243 5.546 2.712 1.00 0.00 C ATOM 652 CG LYS A 45 -4.463 6.432 2.889 1.00 0.00 C ATOM 653 CD LYS A 45 -4.809 6.618 4.357 1.00 0.00 C ATOM 654 CE LYS A 45 -5.843 7.716 4.552 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.262 9.070 4.333 1.00 0.00 N ATOM 0 H LYS A 45 -2.034 6.609 0.848 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.069 7.111 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.260 5.114 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.301 4.717 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.277 7.404 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.312 5.992 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.191 5.681 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.906 6.864 4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.672 7.561 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.252 7.655 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.937 9.793 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.377 9.159 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.065 9.204 3.321 1.00 0.00 H new ATOM 669 N CYS A 46 -1.164 4.850 4.722 1.00 0.00 N ATOM 670 CA CYS A 46 -0.260 3.933 5.407 1.00 0.00 C ATOM 671 C CYS A 46 -0.949 2.602 5.693 1.00 0.00 C ATOM 672 O CYS A 46 -2.027 2.565 6.286 1.00 0.00 O ATOM 673 CB CYS A 46 0.237 4.555 6.713 1.00 0.00 C ATOM 674 SG CYS A 46 1.688 3.736 7.416 1.00 0.00 S ATOM 0 H CYS A 46 -2.010 5.077 5.245 1.00 0.00 H new ATOM 0 HA CYS A 46 0.593 3.747 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.475 5.604 6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.571 4.531 7.445 1.00 0.00 H new ATOM 0 HG CYS A 46 2.034 4.335 8.517 1.00 0.00 H new ATOM 680 N TYR A 47 -0.319 1.513 5.268 1.00 0.00 N ATOM 681 CA TYR A 47 -0.873 0.180 5.474 1.00 0.00 C ATOM 682 C TYR A 47 0.048 -0.662 6.352 1.00 0.00 C ATOM 683 O TYR A 47 1.257 -0.436 6.402 1.00 0.00 O ATOM 684 CB TYR A 47 -1.094 -0.517 4.131 1.00 0.00 C ATOM 685 CG TYR A 47 -2.062 0.208 3.224 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.799 1.500 2.785 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.240 -0.399 2.806 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.682 2.166 1.957 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.128 0.259 1.977 1.00 0.00 C ATOM 690 CZ TYR A 47 -3.845 1.542 1.556 1.00 0.00 C ATOM 691 OH TYR A 47 -4.726 2.202 0.730 1.00 0.00 O ATOM 0 H TYR A 47 0.576 1.527 4.779 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.832 0.287 5.981 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.136 -0.616 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.465 -1.526 4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.889 1.992 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.465 -1.403 3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.463 3.170 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.038 -0.228 1.660 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.494 1.623 0.541 1.00 0.00 H new ATOM 701 N LYS A 48 -0.534 -1.637 7.043 1.00 0.00 N ATOM 702 CA LYS A 48 0.232 -2.517 7.919 1.00 0.00 C ATOM 703 C LYS A 48 -0.297 -3.946 7.851 1.00 0.00 C ATOM 704 O LYS A 48 -1.507 -4.169 7.796 1.00 0.00 O ATOM 705 CB LYS A 48 0.177 -2.009 9.361 1.00 0.00 C ATOM 706 CG LYS A 48 1.298 -2.540 10.237 1.00 0.00 C ATOM 707 CD LYS A 48 1.322 -1.852 11.591 1.00 0.00 C ATOM 708 CE LYS A 48 0.218 -2.370 12.499 1.00 0.00 C ATOM 709 NZ LYS A 48 0.423 -3.799 12.864 1.00 0.00 N ATOM 0 H LYS A 48 -1.534 -1.838 7.013 1.00 0.00 H new ATOM 0 HA LYS A 48 1.268 -2.515 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.217 -0.920 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.780 -2.291 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.175 -3.614 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.254 -2.391 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.290 -2.013 12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.209 -0.776 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.180 -1.766 13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.745 -2.257 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.124 -4.021 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.104 -4.406 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.433 -3.970 13.045 1.00 0.00 H new ATOM 723 N CYS A 49 0.617 -4.911 7.857 1.00 0.00 N ATOM 724 CA CYS A 49 0.243 -6.319 7.798 1.00 0.00 C ATOM 725 C CYS A 49 0.015 -6.880 9.198 1.00 0.00 C ATOM 726 O CYS A 49 0.910 -6.857 10.043 1.00 0.00 O ATOM 727 CB CYS A 49 1.328 -7.126 7.083 1.00 0.00 C ATOM 728 SG CYS A 49 0.874 -8.861 6.762 1.00 0.00 S ATOM 0 H CYS A 49 1.622 -4.743 7.902 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.689 -6.399 7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.561 -6.641 6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.237 -7.105 7.684 1.00 0.00 H new ATOM 0 HG CYS A 49 1.952 -9.583 6.676 1.00 0.00 H new ATOM 733 N THR A 50 -1.192 -7.385 9.438 1.00 0.00 N ATOM 734 CA THR A 50 -1.539 -7.952 10.735 1.00 0.00 C ATOM 735 C THR A 50 -1.102 -9.409 10.833 1.00 0.00 C ATOM 736 O THR A 50 -1.474 -10.116 11.769 1.00 0.00 O ATOM 737 CB THR A 50 -3.054 -7.863 10.999 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.738 -8.897 10.282 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.597 -6.505 10.583 1.00 0.00 C ATOM 0 H THR A 50 -1.945 -7.413 8.751 1.00 0.00 H new ATOM 0 HA THR A 50 -1.011 -7.366 11.488 1.00 0.00 H new ATOM 0 HB THR A 50 -3.222 -7.991 12.068 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.700 -8.834 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.669 -6.466 10.779 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.095 -5.723 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.417 -6.352 9.519 1.00 0.00 H new ATOM 747 N GLU A 51 -0.310 -9.851 9.862 1.00 0.00 N ATOM 748 CA GLU A 51 0.177 -11.226 9.840 1.00 0.00 C ATOM 749 C GLU A 51 1.703 -11.263 9.875 1.00 0.00 C ATOM 750 O GLU A 51 2.301 -12.231 10.344 1.00 0.00 O ATOM 751 CB GLU A 51 -0.333 -11.952 8.594 1.00 0.00 C ATOM 752 CG GLU A 51 -1.849 -12.014 8.503 1.00 0.00 C ATOM 753 CD GLU A 51 -2.339 -13.248 7.772 1.00 0.00 C ATOM 754 OE1 GLU A 51 -1.733 -14.325 7.954 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.329 -13.138 7.019 1.00 0.00 O ATOM 0 H GLU A 51 0.008 -9.278 9.081 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.203 -11.733 10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.056 -11.451 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.065 -12.967 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.270 -12.000 9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.215 -11.124 7.992 1.00 0.00 H new ATOM 762 N CYS A 52 2.326 -10.201 9.374 1.00 0.00 N ATOM 763 CA CYS A 52 3.781 -10.111 9.346 1.00 0.00 C ATOM 764 C CYS A 52 4.299 -9.307 10.535 1.00 0.00 C ATOM 765 O CYS A 52 3.531 -8.915 11.414 1.00 0.00 O ATOM 766 CB CYS A 52 4.247 -9.467 8.039 1.00 0.00 C ATOM 767 SG CYS A 52 4.154 -10.570 6.592 1.00 0.00 S ATOM 0 H CYS A 52 1.846 -9.391 8.982 1.00 0.00 H new ATOM 0 HA CYS A 52 4.184 -11.122 9.410 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.641 -8.581 7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.276 -9.129 8.160 1.00 0.00 H new ATOM 0 HG CYS A 52 3.639 -9.925 5.587 1.00 0.00 H new ATOM 772 N ILE A 53 5.605 -9.066 10.554 1.00 0.00 N ATOM 773 CA ILE A 53 6.226 -8.308 11.634 1.00 0.00 C ATOM 774 C ILE A 53 6.743 -6.963 11.135 1.00 0.00 C ATOM 775 O ILE A 53 7.438 -6.892 10.122 1.00 0.00 O ATOM 776 CB ILE A 53 7.390 -9.088 12.273 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.902 -10.443 12.790 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.015 -8.279 13.399 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.823 -10.334 13.845 1.00 0.00 C ATOM 0 H ILE A 53 6.254 -9.384 9.834 1.00 0.00 H new ATOM 0 HA ILE A 53 5.455 -8.142 12.386 1.00 0.00 H new ATOM 0 HB ILE A 53 8.151 -9.263 11.513 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.522 -11.027 11.952 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.749 -10.992 13.203 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.836 -8.844 13.840 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.394 -7.337 13.003 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.263 -8.076 14.162 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.525 -11.332 14.165 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.206 -9.777 14.701 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.960 -9.814 13.430 1.00 0.00 H new ATOM 791 N GLU A 54 6.401 -5.900 11.855 1.00 0.00 N ATOM 792 CA GLU A 54 6.832 -4.557 11.485 1.00 0.00 C ATOM 793 C GLU A 54 6.746 -4.355 9.974 1.00 0.00 C ATOM 794 O GLU A 54 7.652 -3.791 9.360 1.00 0.00 O ATOM 795 CB GLU A 54 8.264 -4.307 11.963 1.00 0.00 C ATOM 796 CG GLU A 54 9.282 -5.259 11.360 1.00 0.00 C ATOM 797 CD GLU A 54 10.677 -5.052 11.918 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.046 -3.888 12.177 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.398 -6.056 12.097 1.00 0.00 O ATOM 0 H GLU A 54 5.827 -5.942 12.697 1.00 0.00 H new ATOM 0 HA GLU A 54 6.165 -3.843 11.969 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.546 -3.283 11.717 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.296 -4.395 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.969 -6.286 11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.304 -5.124 10.279 1.00 0.00 H new ATOM 806 N TYR A 55 5.652 -4.819 9.383 1.00 0.00 N ATOM 807 CA TYR A 55 5.448 -4.693 7.944 1.00 0.00 C ATOM 808 C TYR A 55 4.418 -3.611 7.633 1.00 0.00 C ATOM 809 O TYR A 55 3.357 -3.550 8.254 1.00 0.00 O ATOM 810 CB TYR A 55 4.996 -6.029 7.353 1.00 0.00 C ATOM 811 CG TYR A 55 5.330 -6.186 5.887 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.518 -5.630 4.905 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.458 -6.889 5.483 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.819 -5.772 3.565 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.768 -7.035 4.144 1.00 0.00 C ATOM 816 CZ TYR A 55 5.945 -6.475 3.189 1.00 0.00 C ATOM 817 OH TYR A 55 6.249 -6.617 1.855 1.00 0.00 O ATOM 0 H TYR A 55 4.892 -5.286 9.877 1.00 0.00 H new ATOM 0 HA TYR A 55 6.397 -4.406 7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.462 -6.840 7.912 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.919 -6.129 7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.637 -5.077 5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.104 -7.329 6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.176 -5.335 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.649 -7.584 3.847 1.00 0.00 H new ATOM 0 HH TYR A 55 7.074 -7.138 1.761 1.00 0.00 H new ATOM 827 N HIS A 56 4.740 -2.758 6.665 1.00 0.00 N ATOM 828 CA HIS A 56 3.843 -1.679 6.269 1.00 0.00 C ATOM 829 C HIS A 56 3.977 -1.380 4.778 1.00 0.00 C ATOM 830 O HIS A 56 5.068 -1.467 4.213 1.00 0.00 O ATOM 831 CB HIS A 56 4.138 -0.418 7.082 1.00 0.00 C ATOM 832 CG HIS A 56 4.406 -0.688 8.530 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.570 -1.272 8.984 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.654 -0.450 9.629 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.521 -1.382 10.299 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.369 -0.890 10.716 1.00 0.00 N ATOM 0 H HIS A 56 5.615 -2.794 6.141 1.00 0.00 H new ATOM 0 HA HIS A 56 2.820 -1.999 6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.000 0.089 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.292 0.264 6.999 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.347 -1.572 8.396 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.673 0.002 9.648 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.292 -1.803 10.927 1.00 0.00 H new ATOM 844 N LEU A 57 2.862 -1.030 4.147 1.00 0.00 N ATOM 845 CA LEU A 57 2.855 -0.719 2.722 1.00 0.00 C ATOM 846 C LEU A 57 2.281 0.671 2.471 1.00 0.00 C ATOM 847 O LEU A 57 1.708 1.290 3.368 1.00 0.00 O ATOM 848 CB LEU A 57 2.042 -1.765 1.956 1.00 0.00 C ATOM 849 CG LEU A 57 2.804 -3.015 1.513 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.902 -3.928 0.697 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.041 -2.630 0.715 1.00 0.00 C ATOM 0 H LEU A 57 1.951 -0.954 4.600 1.00 0.00 H new ATOM 0 HA LEU A 57 3.885 -0.736 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.206 -2.076 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.618 -1.290 1.071 1.00 0.00 H new ATOM 0 HG LEU A 57 3.125 -3.557 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.461 -4.812 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.047 -4.231 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.550 -3.396 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.571 -3.532 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.743 -2.066 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.696 -2.017 1.333 1.00 0.00 H new ATOM 863 N CYS A 58 2.437 1.157 1.244 1.00 0.00 N ATOM 864 CA CYS A 58 1.933 2.474 0.872 1.00 0.00 C ATOM 865 C CYS A 58 0.807 2.357 -0.150 1.00 0.00 C ATOM 866 O CYS A 58 0.812 1.461 -0.994 1.00 0.00 O ATOM 867 CB CYS A 58 3.064 3.334 0.305 1.00 0.00 C ATOM 868 SG CYS A 58 3.813 2.669 -1.217 1.00 0.00 S ATOM 0 H CYS A 58 2.909 0.658 0.490 1.00 0.00 H new ATOM 0 HA CYS A 58 1.537 2.951 1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.679 4.333 0.101 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.840 3.440 1.063 1.00 0.00 H new ATOM 0 HG CYS A 58 5.106 2.631 -1.084 1.00 0.00 H new ATOM 873 N GLN A 59 -0.157 3.269 -0.068 1.00 0.00 N ATOM 874 CA GLN A 59 -1.290 3.267 -0.986 1.00 0.00 C ATOM 875 C GLN A 59 -0.864 2.807 -2.376 1.00 0.00 C ATOM 876 O GLN A 59 -1.600 2.093 -3.056 1.00 0.00 O ATOM 877 CB GLN A 59 -1.910 4.663 -1.066 1.00 0.00 C ATOM 878 CG GLN A 59 -2.868 4.837 -2.234 1.00 0.00 C ATOM 879 CD GLN A 59 -4.150 4.047 -2.059 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.094 4.507 -1.415 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.192 2.851 -2.634 1.00 0.00 N ATOM 0 H GLN A 59 -0.176 4.018 0.624 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.034 2.568 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.442 4.869 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.113 5.402 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.109 5.894 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.375 4.523 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.387 2.509 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.029 2.275 -2.551 1.00 0.00 H new ATOM 890 N GLU A 60 0.330 3.221 -2.791 1.00 0.00 N ATOM 891 CA GLU A 60 0.852 2.851 -4.102 1.00 0.00 C ATOM 892 C GLU A 60 1.003 1.337 -4.220 1.00 0.00 C ATOM 893 O GLU A 60 0.305 0.691 -5.002 1.00 0.00 O ATOM 894 CB GLU A 60 2.202 3.530 -4.347 1.00 0.00 C ATOM 895 CG GLU A 60 2.472 3.835 -5.811 1.00 0.00 C ATOM 896 CD GLU A 60 1.243 4.348 -6.536 1.00 0.00 C ATOM 897 OE1 GLU A 60 0.487 3.518 -7.082 1.00 0.00 O ATOM 898 OE2 GLU A 60 1.038 5.580 -6.558 1.00 0.00 O ATOM 0 H GLU A 60 0.953 3.811 -2.240 1.00 0.00 H new ATOM 0 HA GLU A 60 0.141 3.188 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.241 4.459 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.997 2.889 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.268 4.576 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.831 2.933 -6.306 1.00 0.00 H new ATOM 905 N CYS A 61 1.920 0.777 -3.438 1.00 0.00 N ATOM 906 CA CYS A 61 2.165 -0.660 -3.454 1.00 0.00 C ATOM 907 C CYS A 61 0.860 -1.436 -3.304 1.00 0.00 C ATOM 908 O CYS A 61 0.690 -2.506 -3.888 1.00 0.00 O ATOM 909 CB CYS A 61 3.133 -1.046 -2.334 1.00 0.00 C ATOM 910 SG CYS A 61 4.881 -0.700 -2.710 1.00 0.00 S ATOM 0 H CYS A 61 2.506 1.297 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 61 2.611 -0.917 -4.415 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.855 -0.510 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.022 -2.109 -2.122 1.00 0.00 H new ATOM 0 HG CYS A 61 5.514 -0.416 -1.610 1.00 0.00 H new ATOM 915 N PHE A 62 -0.060 -0.889 -2.516 1.00 0.00 N ATOM 916 CA PHE A 62 -1.350 -1.529 -2.287 1.00 0.00 C ATOM 917 C PHE A 62 -2.144 -1.631 -3.586 1.00 0.00 C ATOM 918 O PHE A 62 -2.941 -2.552 -3.768 1.00 0.00 O ATOM 919 CB PHE A 62 -2.153 -0.748 -1.245 1.00 0.00 C ATOM 920 CG PHE A 62 -3.283 -1.536 -0.646 1.00 0.00 C ATOM 921 CD1 PHE A 62 -3.042 -2.482 0.337 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.588 -1.330 -1.067 1.00 0.00 C ATOM 923 CE1 PHE A 62 -4.080 -3.208 0.890 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.629 -2.053 -0.517 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.375 -2.994 0.462 1.00 0.00 C ATOM 0 H PHE A 62 0.064 -0.004 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.167 -2.536 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.483 -0.426 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.554 0.153 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.031 -2.654 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.793 -0.597 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.878 -3.942 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.641 -1.882 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.188 -3.561 0.892 1.00 0.00 H new ATOM 935 N ASP A 63 -1.922 -0.678 -4.485 1.00 0.00 N ATOM 936 CA ASP A 63 -2.615 -0.660 -5.767 1.00 0.00 C ATOM 937 C ASP A 63 -2.349 -1.943 -6.547 1.00 0.00 C ATOM 938 O ASP A 63 -3.149 -2.345 -7.393 1.00 0.00 O ATOM 939 CB ASP A 63 -2.178 0.552 -6.591 1.00 0.00 C ATOM 940 CG ASP A 63 -2.928 0.663 -7.903 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.115 1.053 -7.877 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.330 0.360 -8.956 1.00 0.00 O ATOM 0 H ASP A 63 -1.267 0.092 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.685 -0.590 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.336 1.459 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.109 0.484 -6.792 1.00 0.00 H new ATOM 947 N SER A 64 -1.220 -2.582 -6.259 1.00 0.00 N ATOM 948 CA SER A 64 -0.846 -3.818 -6.937 1.00 0.00 C ATOM 949 C SER A 64 -1.509 -5.023 -6.275 1.00 0.00 C ATOM 950 O SER A 64 -1.612 -6.094 -6.872 1.00 0.00 O ATOM 951 CB SER A 64 0.674 -3.989 -6.928 1.00 0.00 C ATOM 952 OG SER A 64 1.061 -5.148 -7.646 1.00 0.00 O ATOM 0 H SER A 64 -0.548 -2.264 -5.561 1.00 0.00 H new ATOM 0 HA SER A 64 -1.192 -3.757 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.145 -3.110 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.029 -4.059 -5.900 1.00 0.00 H new ATOM 0 HG SER A 64 2.037 -5.234 -7.627 1.00 0.00 H new ATOM 958 N TYR A 65 -1.956 -4.838 -5.038 1.00 0.00 N ATOM 959 CA TYR A 65 -2.606 -5.910 -4.293 1.00 0.00 C ATOM 960 C TYR A 65 -1.711 -7.143 -4.219 1.00 0.00 C ATOM 961 O TYR A 65 -2.185 -8.275 -4.327 1.00 0.00 O ATOM 962 CB TYR A 65 -3.942 -6.274 -4.944 1.00 0.00 C ATOM 963 CG TYR A 65 -5.032 -5.255 -4.698 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.916 -3.955 -5.176 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.178 -5.592 -3.988 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.909 -3.021 -4.954 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.177 -4.664 -3.763 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.038 -3.381 -4.247 1.00 0.00 C ATOM 969 OH TYR A 65 -8.030 -2.454 -4.023 1.00 0.00 O ATOM 0 H TYR A 65 -1.880 -3.957 -4.530 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.788 -5.555 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.795 -6.385 -6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.269 -7.242 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.034 -3.670 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.290 -6.596 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.802 -2.015 -5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.062 -4.943 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.756 -2.869 -3.511 1.00 0.00 H new ATOM 979 N CYS A 66 -0.416 -6.915 -4.034 1.00 0.00 N ATOM 980 CA CYS A 66 0.547 -8.007 -3.945 1.00 0.00 C ATOM 981 C CYS A 66 0.516 -8.648 -2.561 1.00 0.00 C ATOM 982 O CYS A 66 0.241 -9.841 -2.424 1.00 0.00 O ATOM 983 CB CYS A 66 1.956 -7.498 -4.253 1.00 0.00 C ATOM 984 SG CYS A 66 3.191 -8.807 -4.434 1.00 0.00 S ATOM 0 H CYS A 66 -0.008 -5.984 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 66 0.272 -8.762 -4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.926 -6.912 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.270 -6.825 -3.455 1.00 0.00 H new ATOM 0 HG CYS A 66 4.349 -8.278 -4.695 1.00 0.00 H new ATOM 990 N HIS A 67 0.802 -7.849 -1.538 1.00 0.00 N ATOM 991 CA HIS A 67 0.808 -8.339 -0.164 1.00 0.00 C ATOM 992 C HIS A 67 -0.616 -8.524 0.353 1.00 0.00 C ATOM 993 O HIS A 67 -0.832 -9.126 1.406 1.00 0.00 O ATOM 994 CB HIS A 67 1.570 -7.371 0.742 1.00 0.00 C ATOM 995 CG HIS A 67 2.253 -8.041 1.894 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.579 -7.831 2.209 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.785 -8.920 2.811 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.897 -8.553 3.268 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.826 -9.223 3.653 1.00 0.00 N ATOM 0 H HIS A 67 1.033 -6.860 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 67 1.309 -9.307 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.314 -6.840 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.876 -6.624 1.126 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.215 -7.214 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.780 -9.310 2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.868 -8.589 3.739 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.583 -8.002 -0.393 1.00 0.00 N ATOM 1008 CA LEU A 68 -2.987 -8.109 -0.010 1.00 0.00 C ATOM 1009 C LEU A 68 -3.298 -9.500 0.534 1.00 0.00 C ATOM 1010 O LEU A 68 -4.191 -9.667 1.365 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.887 -7.804 -1.208 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.318 -6.346 -1.369 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.607 -6.083 -0.606 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.216 -5.409 -0.897 1.00 0.00 C ATOM 0 H LEU A 68 -1.421 -7.501 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.181 -7.380 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.367 -8.111 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.783 -8.420 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.501 -6.156 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.898 -5.040 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.396 -6.729 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.452 -6.291 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.540 -4.375 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.001 -5.600 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.316 -5.579 -1.488 1.00 0.00 H new ATOM 1026 N SER A 69 -2.556 -10.495 0.060 1.00 0.00 N ATOM 1027 CA SER A 69 -2.754 -11.872 0.497 1.00 0.00 C ATOM 1028 C SER A 69 -2.970 -11.937 2.006 1.00 0.00 C ATOM 1029 O SER A 69 -3.751 -12.752 2.499 1.00 0.00 O ATOM 1030 CB SER A 69 -1.550 -12.732 0.106 1.00 0.00 C ATOM 1031 OG SER A 69 -1.227 -12.563 -1.264 1.00 0.00 O ATOM 0 H SER A 69 -1.812 -10.374 -0.627 1.00 0.00 H new ATOM 0 HA SER A 69 -3.645 -12.259 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.691 -12.463 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.768 -13.781 0.305 1.00 0.00 H new ATOM 0 HG SER A 69 -0.454 -13.121 -1.489 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.273 -11.072 2.735 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.388 -11.029 4.189 1.00 0.00 C ATOM 1039 C HIS A 70 -3.361 -9.938 4.625 1.00 0.00 C ATOM 1040 O HIS A 70 -3.603 -8.978 3.893 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.017 -10.790 4.823 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.160 -12.017 4.879 1.00 0.00 C ATOM 1043 ND1 HIS A 70 1.175 -11.987 5.219 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.457 -13.315 4.636 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.664 -13.214 5.181 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.694 -14.039 4.831 1.00 0.00 N ATOM 0 H HIS A 70 -1.622 -10.391 2.343 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.774 -11.991 4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.495 -10.018 4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.155 -10.407 5.834 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.703 -11.149 5.462 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.419 -13.708 4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.684 -13.495 5.399 1.00 0.00 H new ATOM 1054 N THR A 71 -3.918 -10.093 5.822 1.00 0.00 N ATOM 1055 CA THR A 71 -4.866 -9.123 6.355 1.00 0.00 C ATOM 1056 C THR A 71 -4.181 -7.796 6.664 1.00 0.00 C ATOM 1057 O THR A 71 -3.505 -7.658 7.683 1.00 0.00 O ATOM 1058 CB THR A 71 -5.546 -9.646 7.634 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.947 -11.009 7.453 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.759 -8.798 7.988 1.00 0.00 C ATOM 0 H THR A 71 -3.729 -10.881 6.441 1.00 0.00 H new ATOM 0 HA THR A 71 -5.624 -8.968 5.587 1.00 0.00 H new ATOM 0 HB THR A 71 -4.828 -9.584 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.377 -11.335 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.223 -9.187 8.895 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.446 -7.767 8.154 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.478 -8.832 7.170 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.360 -6.823 5.777 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.758 -5.506 5.955 1.00 0.00 C ATOM 1070 C PHE A 72 -4.773 -4.516 6.518 1.00 0.00 C ATOM 1071 O PHE A 72 -5.983 -4.711 6.395 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.207 -4.990 4.625 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.786 -5.399 4.365 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.397 -6.722 4.498 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.839 -4.461 3.988 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.089 -7.102 4.259 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.470 -4.835 3.747 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.845 -6.157 3.885 1.00 0.00 C ATOM 0 H PHE A 72 -4.917 -6.921 4.928 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.938 -5.602 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.836 -5.356 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.272 -3.902 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.124 -7.465 4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.127 -3.425 3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.201 -8.137 4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.198 -4.094 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.868 -6.451 3.701 1.00 0.00 H new ATOM 1088 N THR A 73 -4.273 -3.451 7.136 1.00 0.00 N ATOM 1089 CA THR A 73 -5.134 -2.430 7.719 1.00 0.00 C ATOM 1090 C THR A 73 -4.587 -1.032 7.454 1.00 0.00 C ATOM 1091 O THR A 73 -3.382 -0.798 7.545 1.00 0.00 O ATOM 1092 CB THR A 73 -5.290 -2.628 9.239 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.048 -3.056 9.807 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.373 -3.652 9.542 1.00 0.00 C ATOM 0 H THR A 73 -3.275 -3.273 7.246 1.00 0.00 H new ATOM 0 HA THR A 73 -6.110 -2.531 7.244 1.00 0.00 H new ATOM 0 HB THR A 73 -5.580 -1.675 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.155 -3.178 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.465 -3.775 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.323 -3.308 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.108 -4.607 9.089 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.481 -0.105 7.125 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.087 1.271 6.846 1.00 0.00 C ATOM 1104 C PHE A 74 -5.488 2.195 7.992 1.00 0.00 C ATOM 1105 O PHE A 74 -6.428 1.909 8.734 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.725 1.752 5.541 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.107 2.314 5.721 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.181 1.477 5.975 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.331 3.678 5.636 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.454 1.990 6.141 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.601 4.197 5.802 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.664 3.352 6.053 1.00 0.00 C ATOM 0 H PHE A 74 -6.482 -0.282 7.045 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.002 1.298 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.087 2.514 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.768 0.920 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.022 0.411 6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.504 4.344 5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.283 1.327 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.762 5.263 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.658 3.756 6.180 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.769 3.304 8.130 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.048 4.269 9.187 1.00 0.00 C ATOM 1124 C ARG A 75 -5.819 5.466 8.639 1.00 0.00 C ATOM 1125 O ARG A 75 -6.109 5.536 7.446 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.744 4.741 9.833 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.849 5.531 8.893 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.466 6.874 8.533 1.00 0.00 C ATOM 1129 NE ARG A 75 -2.451 7.879 8.230 1.00 0.00 N ATOM 1130 CZ ARG A 75 -1.840 8.609 9.157 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -2.139 8.445 10.438 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -0.927 9.504 8.803 1.00 0.00 N ATOM 0 H ARG A 75 -3.989 3.557 7.523 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.662 3.777 9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.981 5.358 10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.195 3.873 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.878 5.690 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.675 4.954 7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.123 6.752 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.085 7.222 9.360 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.197 8.029 7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.840 7.757 10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.668 9.007 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.693 9.632 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.459 10.064 9.515 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.147 6.406 9.521 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.886 7.599 9.125 1.00 0.00 C ATOM 1148 C GLU A 76 -6.201 8.860 9.644 1.00 0.00 C ATOM 1149 O GLU A 76 -5.317 8.794 10.499 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.322 7.534 9.648 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.288 6.855 8.691 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.709 6.827 9.219 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -11.357 7.894 9.240 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.174 5.736 9.612 1.00 0.00 O ATOM 0 H GLU A 76 -5.913 6.364 10.513 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.905 7.638 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.330 7.000 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.673 8.546 9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.270 7.375 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.953 5.834 8.506 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.615 10.009 9.122 1.00 0.00 N ATOM 1162 CA LYS A 77 -6.044 11.287 9.531 1.00 0.00 C ATOM 1163 C LYS A 77 -6.003 11.402 11.051 1.00 0.00 C ATOM 1164 O LYS A 77 -6.647 10.628 11.760 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.855 12.443 8.943 1.00 0.00 C ATOM 1166 CG LYS A 77 -8.325 12.412 9.325 1.00 0.00 C ATOM 1167 CD LYS A 77 -9.005 13.739 9.035 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.519 13.620 9.121 1.00 0.00 C ATOM 1169 NZ LYS A 77 -11.093 12.964 7.914 1.00 0.00 N ATOM 0 H LYS A 77 -7.345 10.082 8.414 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.023 11.339 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.422 13.386 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.770 12.419 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.828 11.617 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.421 12.177 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.657 14.490 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.722 14.084 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.788 13.047 10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.955 14.612 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.131 12.963 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.801 13.486 7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.749 11.984 7.854 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.243 12.374 11.546 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.119 12.590 12.983 1.00 0.00 C ATOM 1185 C ARG A 78 -6.448 12.335 13.688 1.00 0.00 C ATOM 1186 O ARG A 78 -7.507 12.350 13.062 1.00 0.00 O ATOM 1187 CB ARG A 78 -4.645 14.016 13.266 1.00 0.00 C ATOM 1188 CG ARG A 78 -3.894 14.159 14.580 1.00 0.00 C ATOM 1189 CD ARG A 78 -2.530 13.489 14.518 1.00 0.00 C ATOM 1190 NE ARG A 78 -1.860 13.489 15.816 1.00 0.00 N ATOM 1191 CZ ARG A 78 -1.137 14.507 16.270 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -0.991 15.600 15.534 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -0.559 14.432 17.461 1.00 0.00 N ATOM 0 H ARG A 78 -4.704 13.024 10.974 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.382 11.886 13.369 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.000 14.344 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.508 14.681 13.276 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.771 15.216 14.817 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.481 13.718 15.386 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.646 12.463 14.170 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.906 14.004 13.788 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.952 12.662 16.406 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.434 15.661 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.436 16.380 15.884 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.669 13.592 18.029 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.004 15.214 17.809 1.00 0.00 H new ATOM 1207 N ASN A 79 -6.383 12.101 14.994 1.00 0.00 N ATOM 1208 CA ASN A 79 -7.581 11.841 15.785 1.00 0.00 C ATOM 1209 C ASN A 79 -8.426 10.742 15.147 1.00 0.00 C ATOM 1210 O ASN A 79 -9.618 10.927 14.901 1.00 0.00 O ATOM 1211 CB ASN A 79 -8.410 13.119 15.927 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.979 13.590 14.603 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -10.046 13.144 14.179 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -8.268 14.496 13.942 1.00 0.00 N ATOM 0 H ASN A 79 -5.514 12.086 15.528 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.268 11.506 16.774 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.226 12.943 16.628 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.788 13.907 16.353 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.601 14.850 13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.389 14.838 14.331 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.800 9.600 14.883 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.494 8.472 14.274 1.00 0.00 C ATOM 1223 C GLN A 80 -7.828 7.153 14.653 1.00 0.00 C ATOM 1224 O GLN A 80 -6.881 7.127 15.440 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.523 8.624 12.753 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.339 9.815 12.275 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.783 9.753 12.732 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.260 8.711 13.181 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.488 10.873 12.621 1.00 0.00 N ATOM 0 H GLN A 80 -6.814 9.431 15.081 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.517 8.462 14.650 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.501 8.724 12.387 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.932 7.714 12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.884 10.734 12.644 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.308 9.859 11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.053 11.714 12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.465 10.892 12.914 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.327 6.060 14.088 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.780 4.737 14.365 1.00 0.00 C ATOM 1240 C LYS A 81 -7.838 3.854 13.122 1.00 0.00 C ATOM 1241 O LYS A 81 -8.653 4.077 12.228 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.549 4.074 15.510 1.00 0.00 C ATOM 1243 CG LYS A 81 -10.056 4.098 15.326 1.00 0.00 C ATOM 1244 CD LYS A 81 -10.532 2.936 14.471 1.00 0.00 C ATOM 1245 CE LYS A 81 -12.035 2.733 14.592 1.00 0.00 C ATOM 1246 NZ LYS A 81 -12.789 3.591 13.637 1.00 0.00 N ATOM 0 H LYS A 81 -9.110 6.064 13.435 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.737 4.856 14.657 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.220 3.039 15.606 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.298 4.577 16.444 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.543 4.057 16.300 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.352 5.038 14.861 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.271 3.119 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.015 2.025 14.773 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.276 1.686 14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.351 2.959 15.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.809 3.423 13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.579 4.591 13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.506 3.358 12.664 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.969 2.850 13.075 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.922 1.933 11.942 1.00 0.00 C ATOM 1262 C TRP A 82 -8.260 1.224 11.760 1.00 0.00 C ATOM 1263 O TRP A 82 -9.154 1.342 12.598 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.809 0.903 12.140 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.491 1.515 12.509 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.107 1.949 13.745 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.386 1.763 11.633 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.830 2.452 13.691 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.365 2.349 12.407 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.159 1.546 10.272 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.138 2.719 11.862 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.941 1.914 9.733 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.943 2.495 10.527 1.00 0.00 C ATOM 0 H TRP A 82 -6.288 2.651 13.808 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.715 2.515 11.044 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.107 0.202 12.920 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.690 0.327 11.222 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.718 1.904 14.635 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.312 2.840 14.480 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.922 1.099 9.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.368 3.167 12.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.755 1.751 8.682 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.001 2.771 10.076 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.390 0.489 10.661 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.620 -0.237 10.369 1.00 0.00 C ATOM 1286 C ARG A 83 -9.456 -1.106 9.125 1.00 0.00 C ATOM 1287 O ARG A 83 -8.554 -0.888 8.317 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.780 0.740 10.172 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.727 1.490 8.851 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.522 2.785 8.914 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.951 2.543 9.091 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.896 3.369 8.656 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.565 4.485 8.022 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -15.175 3.079 8.856 1.00 0.00 N ATOM 0 H ARG A 83 -7.659 0.380 9.958 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.840 -0.885 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.720 0.191 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.780 1.461 10.990 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.690 1.710 8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.122 0.857 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.153 3.397 9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.362 3.354 7.998 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.239 1.693 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.583 4.711 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.293 5.117 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.433 2.221 9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.900 3.714 8.522 1.00 0.00 H new ATOM 1308 N SER A 84 -10.335 -2.093 8.979 1.00 0.00 N ATOM 1309 CA SER A 84 -10.286 -2.997 7.836 1.00 0.00 C ATOM 1310 C SER A 84 -10.406 -2.225 6.526 1.00 0.00 C ATOM 1311 O SER A 84 -10.901 -1.098 6.500 1.00 0.00 O ATOM 1312 CB SER A 84 -11.404 -4.037 7.933 1.00 0.00 C ATOM 1313 OG SER A 84 -11.136 -5.153 7.103 1.00 0.00 O ATOM 0 H SER A 84 -11.089 -2.287 9.638 1.00 0.00 H new ATOM 0 HA SER A 84 -9.323 -3.507 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.510 -4.366 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.352 -3.584 7.644 1.00 0.00 H new ATOM 0 HG SER A 84 -11.864 -5.804 7.184 1.00 0.00 H new