USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=23 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 34 CYS SG : rot 137:sc= -1.73! USER MOD Set 1.2: A 36 ASN : amide:sc= 0 X(o=-1.3,f=-1.4) USER MOD Set 1.3: A 37 CYS SG : rot -55:sc= -0.271 USER MOD Set 1.4: A 58 CYS SG : rot -130:sc= 0.959 USER MOD Set 1.5: A 61 CYS SG : rot 150:sc= -0.25 USER MOD Set 2.1: A 49 CYS SG : rot -153:sc= -0.516 USER MOD Set 2.2: A 52 CYS SG : rot 135:sc= 0.867 USER MOD Set 2.3: A 55 TYR OH : rot 180:sc= 0.3 USER MOD Set 2.4: A 67 HIS : no HE2:sc= -7.1! C(o=-6.6!,f=-13!) USER MOD Set 2.5: A 70 HIS : no HE2:sc= -0.15 X(o=-6.6,f=-6.8) USER MOD Single : A 35 ASN : amide:sc= -0.533 K(o=-0.53,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00165) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.03 (180deg=-0.231) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.199 (180deg=-0.785) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 56 HIS : no HD1:sc= -6.67! C(o=-6.7!,f=-10!) USER MOD Single : A 59 GLN : amide:sc= 0.786 K(o=0.79,f=0) 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 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= -0.441 K(o=-0.44,f=-2.6!) USER MOD Single : A 80 GLN : amide:sc= -2.87! C(o=-2.9!,f=-3.5!) USER MOD Single : A 81 LYS NZ :NH3+ -107:sc= -1.79! (180deg=-3.72!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 426 N LEU A 30 4.292 10.976 8.699 1.00 0.00 N ATOM 427 CA LEU A 30 5.439 10.109 8.456 1.00 0.00 C ATOM 428 C LEU A 30 5.115 8.663 8.818 1.00 0.00 C ATOM 429 O LEU A 30 5.473 7.736 8.093 1.00 0.00 O ATOM 430 CB LEU A 30 6.647 10.590 9.262 1.00 0.00 C ATOM 431 CG LEU A 30 7.523 11.649 8.592 1.00 0.00 C ATOM 432 CD1 LEU A 30 8.303 11.043 7.436 1.00 0.00 C ATOM 433 CD2 LEU A 30 6.673 12.817 8.110 1.00 0.00 C ATOM 0 HA LEU A 30 5.678 10.153 7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.289 10.990 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.270 9.727 9.495 1.00 0.00 H new ATOM 0 HG LEU A 30 8.235 12.023 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.921 11.812 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.940 10.241 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.608 10.642 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.313 13.561 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.937 12.459 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.160 13.268 8.959 1.00 0.00 H new ATOM 445 N GLY A 31 4.433 8.479 9.944 1.00 0.00 N ATOM 446 CA GLY A 31 4.070 7.144 10.381 1.00 0.00 C ATOM 447 C GLY A 31 5.190 6.143 10.181 1.00 0.00 C ATOM 448 O GLY A 31 6.165 6.133 10.934 1.00 0.00 O ATOM 0 H GLY A 31 4.125 9.231 10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.797 7.172 11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.189 6.813 9.832 1.00 0.00 H new ATOM 452 N ILE A 32 5.052 5.298 9.164 1.00 0.00 N ATOM 453 CA ILE A 32 6.062 4.289 8.868 1.00 0.00 C ATOM 454 C ILE A 32 6.276 4.151 7.365 1.00 0.00 C ATOM 455 O ILE A 32 5.333 4.170 6.574 1.00 0.00 O ATOM 456 CB ILE A 32 5.672 2.917 9.448 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.513 3.007 10.967 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.715 1.871 9.082 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.476 2.056 11.524 1.00 0.00 C ATOM 0 H ILE A 32 4.251 5.292 8.532 1.00 0.00 H new ATOM 0 HA ILE A 32 6.989 4.622 9.335 1.00 0.00 H new ATOM 0 HB ILE A 32 4.717 2.616 9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.474 2.800 11.438 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.240 4.027 11.236 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.425 0.907 9.499 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.785 1.791 7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.683 2.165 9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.417 2.175 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.505 2.277 11.081 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.758 1.030 11.286 1.00 0.00 H new ATOM 471 N PRO A 33 7.546 4.006 6.959 1.00 0.00 N ATOM 472 CA PRO A 33 7.914 3.859 5.548 1.00 0.00 C ATOM 473 C PRO A 33 7.474 2.518 4.971 1.00 0.00 C ATOM 474 O PRO A 33 7.176 1.580 5.711 1.00 0.00 O ATOM 475 CB PRO A 33 9.442 3.957 5.568 1.00 0.00 C ATOM 476 CG PRO A 33 9.831 3.524 6.939 1.00 0.00 C ATOM 477 CD PRO A 33 8.721 3.974 7.847 1.00 0.00 C ATOM 0 HA PRO A 33 7.433 4.610 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.890 3.316 4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.776 4.974 5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.958 2.442 6.985 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.781 3.970 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.578 3.284 8.679 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.926 4.954 8.277 1.00 0.00 H new ATOM 485 N CYS A 34 7.436 2.433 3.645 1.00 0.00 N ATOM 486 CA CYS A 34 7.033 1.207 2.968 1.00 0.00 C ATOM 487 C CYS A 34 8.104 0.129 3.109 1.00 0.00 C ATOM 488 O CYS A 34 9.288 0.432 3.253 1.00 0.00 O ATOM 489 CB CYS A 34 6.763 1.482 1.487 1.00 0.00 C ATOM 490 SG CYS A 34 5.923 0.119 0.619 1.00 0.00 S ATOM 0 H CYS A 34 7.680 3.200 3.018 1.00 0.00 H new ATOM 0 HA CYS A 34 6.117 0.848 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.155 2.383 1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.710 1.687 0.988 1.00 0.00 H new ATOM 0 HG CYS A 34 4.987 0.602 -0.144 1.00 0.00 H new ATOM 495 N ASN A 35 7.679 -1.129 3.066 1.00 0.00 N ATOM 496 CA ASN A 35 8.602 -2.252 3.190 1.00 0.00 C ATOM 497 C ASN A 35 9.015 -2.770 1.816 1.00 0.00 C ATOM 498 O ASN A 35 9.999 -3.497 1.685 1.00 0.00 O ATOM 499 CB ASN A 35 7.960 -3.380 4.001 1.00 0.00 C ATOM 500 CG ASN A 35 8.237 -3.253 5.486 1.00 0.00 C ATOM 501 OD1 ASN A 35 7.886 -2.253 6.112 1.00 0.00 O ATOM 502 ND2 ASN A 35 8.871 -4.271 6.058 1.00 0.00 N ATOM 0 H ASN A 35 6.702 -1.397 2.946 1.00 0.00 H new ATOM 0 HA ASN A 35 9.494 -1.902 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.883 -3.377 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.335 -4.339 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.085 -4.243 7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.143 -5.080 5.500 1.00 0.00 H new ATOM 509 N ASN A 36 8.255 -2.391 0.793 1.00 0.00 N ATOM 510 CA ASN A 36 8.542 -2.817 -0.572 1.00 0.00 C ATOM 511 C ASN A 36 9.366 -1.766 -1.308 1.00 0.00 C ATOM 512 O ASN A 36 10.563 -1.947 -1.535 1.00 0.00 O ATOM 513 CB ASN A 36 7.240 -3.083 -1.329 1.00 0.00 C ATOM 514 CG ASN A 36 7.435 -4.022 -2.504 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.876 -5.160 -2.336 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.107 -3.550 -3.701 1.00 0.00 N ATOM 0 H ASN A 36 7.436 -1.790 0.884 1.00 0.00 H new ATOM 0 HA ASN A 36 9.122 -3.739 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.506 -3.509 -0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.831 -2.138 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.217 -4.137 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.745 -2.601 -3.793 1.00 0.00 H new ATOM 523 N CYS A 37 8.719 -0.666 -1.678 1.00 0.00 N ATOM 524 CA CYS A 37 9.390 0.415 -2.388 1.00 0.00 C ATOM 525 C CYS A 37 10.228 1.258 -1.430 1.00 0.00 C ATOM 526 O CYS A 37 11.195 1.902 -1.836 1.00 0.00 O ATOM 527 CB CYS A 37 8.365 1.300 -3.100 1.00 0.00 C ATOM 528 SG CYS A 37 7.310 2.269 -1.974 1.00 0.00 S ATOM 0 H CYS A 37 7.729 -0.500 -1.497 1.00 0.00 H new ATOM 0 HA CYS A 37 10.054 -0.029 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.891 1.984 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.730 0.672 -3.725 1.00 0.00 H new ATOM 0 HG CYS A 37 6.722 1.469 -1.134 1.00 0.00 H new ATOM 533 N LYS A 38 9.849 1.247 -0.157 1.00 0.00 N ATOM 534 CA LYS A 38 10.565 2.008 0.861 1.00 0.00 C ATOM 535 C LYS A 38 10.341 3.506 0.679 1.00 0.00 C ATOM 536 O LYS A 38 11.249 4.308 0.890 1.00 0.00 O ATOM 537 CB LYS A 38 12.062 1.695 0.803 1.00 0.00 C ATOM 538 CG LYS A 38 12.371 0.208 0.768 1.00 0.00 C ATOM 539 CD LYS A 38 12.396 -0.390 2.164 1.00 0.00 C ATOM 540 CE LYS A 38 13.791 -0.333 2.770 1.00 0.00 C ATOM 541 NZ LYS A 38 14.673 -1.405 2.230 1.00 0.00 N ATOM 0 H LYS A 38 9.050 0.720 0.195 1.00 0.00 H new ATOM 0 HA LYS A 38 10.176 1.716 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.490 2.167 -0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.551 2.139 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.623 -0.306 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.335 0.047 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.698 0.149 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.058 -1.425 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.236 0.641 2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.721 -0.431 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.604 -1.354 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.244 -2.334 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.788 -1.276 1.204 1.00 0.00 H new ATOM 555 N GLN A 39 9.125 3.874 0.286 1.00 0.00 N ATOM 556 CA GLN A 39 8.783 5.276 0.076 1.00 0.00 C ATOM 557 C GLN A 39 8.653 6.009 1.407 1.00 0.00 C ATOM 558 O GLN A 39 7.824 5.653 2.246 1.00 0.00 O ATOM 559 CB GLN A 39 7.478 5.391 -0.713 1.00 0.00 C ATOM 560 CG GLN A 39 7.122 6.819 -1.094 1.00 0.00 C ATOM 561 CD GLN A 39 6.158 6.889 -2.262 1.00 0.00 C ATOM 562 OE1 GLN A 39 6.543 7.239 -3.378 1.00 0.00 O ATOM 563 NE2 GLN A 39 4.898 6.555 -2.011 1.00 0.00 N ATOM 0 H GLN A 39 8.362 3.222 0.107 1.00 0.00 H new ATOM 0 HA GLN A 39 9.587 5.739 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.557 4.791 -1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.666 4.969 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.681 7.321 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.033 7.361 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.623 6.271 -1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.205 6.582 -2.758 1.00 0.00 H new ATOM 572 N PHE A 40 9.476 7.035 1.595 1.00 0.00 N ATOM 573 CA PHE A 40 9.454 7.818 2.825 1.00 0.00 C ATOM 574 C PHE A 40 9.796 9.279 2.546 1.00 0.00 C ATOM 575 O PHE A 40 10.833 9.600 1.965 1.00 0.00 O ATOM 576 CB PHE A 40 10.438 7.237 3.843 1.00 0.00 C ATOM 577 CG PHE A 40 10.004 7.421 5.269 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.731 7.052 5.673 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.869 7.964 6.205 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.329 7.220 6.984 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.473 8.133 7.518 1.00 0.00 C ATOM 582 CZ PHE A 40 9.200 7.762 7.908 1.00 0.00 C ATOM 0 H PHE A 40 10.167 7.344 0.911 1.00 0.00 H new ATOM 0 HA PHE A 40 8.446 7.772 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.567 6.173 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.412 7.707 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.045 6.628 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.864 8.258 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.334 6.928 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.158 8.555 8.239 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.887 7.896 8.933 1.00 0.00 H new ATOM 592 N PRO A 41 8.904 10.186 2.969 1.00 0.00 N ATOM 593 CA PRO A 41 7.666 9.816 3.662 1.00 0.00 C ATOM 594 C PRO A 41 6.670 9.123 2.738 1.00 0.00 C ATOM 595 O PRO A 41 6.844 9.112 1.519 1.00 0.00 O ATOM 596 CB PRO A 41 7.109 11.161 4.136 1.00 0.00 C ATOM 597 CG PRO A 41 7.676 12.161 3.189 1.00 0.00 C ATOM 598 CD PRO A 41 9.034 11.644 2.804 1.00 0.00 C ATOM 0 HA PRO A 41 7.847 9.106 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.019 11.168 4.114 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.408 11.374 5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.038 12.273 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.750 13.143 3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.290 11.911 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.816 12.053 3.444 1.00 0.00 H new ATOM 606 N ILE A 42 5.626 8.548 3.325 1.00 0.00 N ATOM 607 CA ILE A 42 4.602 7.854 2.554 1.00 0.00 C ATOM 608 C ILE A 42 3.416 8.769 2.269 1.00 0.00 C ATOM 609 O ILE A 42 2.372 8.665 2.912 1.00 0.00 O ATOM 610 CB ILE A 42 4.102 6.595 3.286 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.191 5.522 3.303 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.838 6.065 2.624 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.731 4.203 3.884 1.00 0.00 C ATOM 0 H ILE A 42 5.467 8.549 4.333 1.00 0.00 H new ATOM 0 HA ILE A 42 5.063 7.556 1.612 1.00 0.00 H new ATOM 0 HB ILE A 42 3.865 6.861 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.544 5.358 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.041 5.887 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.496 5.175 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.061 6.829 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.050 5.811 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.555 3.490 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.405 4.353 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.901 3.815 3.294 1.00 0.00 H new ATOM 625 N GLU A 43 3.584 9.663 1.299 1.00 0.00 N ATOM 626 CA GLU A 43 2.525 10.595 0.929 1.00 0.00 C ATOM 627 C GLU A 43 1.168 9.898 0.911 1.00 0.00 C ATOM 628 O GLU A 43 0.187 10.412 1.446 1.00 0.00 O ATOM 629 CB GLU A 43 2.814 11.210 -0.443 1.00 0.00 C ATOM 630 CG GLU A 43 3.892 12.279 -0.416 1.00 0.00 C ATOM 631 CD GLU A 43 5.291 11.699 -0.483 1.00 0.00 C ATOM 632 OE1 GLU A 43 5.787 11.222 0.559 1.00 0.00 O ATOM 633 OE2 GLU A 43 5.891 11.722 -1.578 1.00 0.00 O ATOM 0 H GLU A 43 4.442 9.761 0.756 1.00 0.00 H new ATOM 0 HA GLU A 43 2.496 11.388 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.116 10.419 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.895 11.643 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.744 12.960 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.791 12.869 0.495 1.00 0.00 H new ATOM 640 N GLY A 44 1.121 8.723 0.289 1.00 0.00 N ATOM 641 CA GLY A 44 -0.120 7.975 0.212 1.00 0.00 C ATOM 642 C GLY A 44 -0.544 7.415 1.555 1.00 0.00 C ATOM 643 O GLY A 44 0.132 7.620 2.563 1.00 0.00 O ATOM 0 H GLY A 44 1.920 8.277 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.908 8.623 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.004 7.157 -0.499 1.00 0.00 H new ATOM 647 N LYS A 45 -1.670 6.709 1.571 1.00 0.00 N ATOM 648 CA LYS A 45 -2.185 6.118 2.800 1.00 0.00 C ATOM 649 C LYS A 45 -1.124 5.256 3.477 1.00 0.00 C ATOM 650 O LYS A 45 -0.049 5.028 2.920 1.00 0.00 O ATOM 651 CB LYS A 45 -3.428 5.276 2.504 1.00 0.00 C ATOM 652 CG LYS A 45 -4.725 6.065 2.563 1.00 0.00 C ATOM 653 CD LYS A 45 -5.215 6.226 3.992 1.00 0.00 C ATOM 654 CE LYS A 45 -6.250 7.335 4.105 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.643 8.682 3.915 1.00 0.00 N ATOM 0 H LYS A 45 -2.243 6.532 0.746 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.455 6.929 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.328 4.831 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.479 4.455 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.575 7.048 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.487 5.559 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.647 5.287 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.370 6.447 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.031 7.180 3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.728 7.287 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.285 9.408 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.735 8.728 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.484 8.851 2.901 1.00 0.00 H new ATOM 669 N CYS A 46 -1.433 4.778 4.677 1.00 0.00 N ATOM 670 CA CYS A 46 -0.506 3.940 5.429 1.00 0.00 C ATOM 671 C CYS A 46 -1.120 2.575 5.719 1.00 0.00 C ATOM 672 O CYS A 46 -2.120 2.471 6.430 1.00 0.00 O ATOM 673 CB CYS A 46 -0.113 4.625 6.738 1.00 0.00 C ATOM 674 SG CYS A 46 1.265 5.786 6.579 1.00 0.00 S ATOM 0 H CYS A 46 -2.319 4.956 5.150 1.00 0.00 H new ATOM 0 HA CYS A 46 0.387 3.794 4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.979 5.157 7.131 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.151 3.862 7.470 1.00 0.00 H new ATOM 0 HG CYS A 46 1.522 6.316 7.738 1.00 0.00 H new ATOM 680 N TYR A 47 -0.517 1.530 5.164 1.00 0.00 N ATOM 681 CA TYR A 47 -1.007 0.171 5.361 1.00 0.00 C ATOM 682 C TYR A 47 0.017 -0.675 6.112 1.00 0.00 C ATOM 683 O TYR A 47 1.216 -0.397 6.076 1.00 0.00 O ATOM 684 CB TYR A 47 -1.330 -0.477 4.013 1.00 0.00 C ATOM 685 CG TYR A 47 -2.281 0.335 3.163 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.854 1.487 2.515 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.607 -0.051 3.008 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.720 2.232 1.739 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.479 0.687 2.232 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.031 1.828 1.600 1.00 0.00 C ATOM 691 OH TYR A 47 -4.897 2.566 0.826 1.00 0.00 O ATOM 0 H TYR A 47 0.312 1.598 4.574 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.916 0.223 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.402 -0.629 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.763 -1.462 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.827 1.805 2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.962 -0.943 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.372 3.126 1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.506 0.372 2.121 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.782 2.144 0.832 1.00 0.00 H new ATOM 701 N LYS A 48 -0.464 -1.709 6.792 1.00 0.00 N ATOM 702 CA LYS A 48 0.407 -2.599 7.551 1.00 0.00 C ATOM 703 C LYS A 48 -0.168 -4.011 7.602 1.00 0.00 C ATOM 704 O LYS A 48 -1.385 -4.196 7.613 1.00 0.00 O ATOM 705 CB LYS A 48 0.601 -2.065 8.972 1.00 0.00 C ATOM 706 CG LYS A 48 -0.665 -2.089 9.810 1.00 0.00 C ATOM 707 CD LYS A 48 -0.458 -1.411 11.154 1.00 0.00 C ATOM 708 CE LYS A 48 0.062 -2.388 12.197 1.00 0.00 C ATOM 709 NZ LYS A 48 -0.910 -3.484 12.463 1.00 0.00 N ATOM 0 H LYS A 48 -1.454 -1.952 6.833 1.00 0.00 H new ATOM 0 HA LYS A 48 1.373 -2.637 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.368 -2.656 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.972 -1.041 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.469 -1.590 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.979 -3.121 9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.247 -0.587 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.400 -0.981 11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.006 -2.814 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.269 -1.853 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.773 -3.842 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.879 -3.120 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.757 -4.256 11.783 1.00 0.00 H new ATOM 723 N CYS A 49 0.715 -5.003 7.634 1.00 0.00 N ATOM 724 CA CYS A 49 0.296 -6.399 7.685 1.00 0.00 C ATOM 725 C CYS A 49 0.098 -6.855 9.127 1.00 0.00 C ATOM 726 O CYS A 49 1.004 -6.750 9.954 1.00 0.00 O ATOM 727 CB CYS A 49 1.330 -7.289 6.994 1.00 0.00 C ATOM 728 SG CYS A 49 0.800 -9.019 6.782 1.00 0.00 S ATOM 0 H CYS A 49 1.726 -4.866 7.626 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.656 -6.486 7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.560 -6.868 6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.253 -7.272 7.573 1.00 0.00 H new ATOM 0 HG CYS A 49 1.845 -9.792 6.748 1.00 0.00 H new ATOM 733 N THR A 50 -1.094 -7.363 9.423 1.00 0.00 N ATOM 734 CA THR A 50 -1.412 -7.835 10.765 1.00 0.00 C ATOM 735 C THR A 50 -1.043 -9.305 10.933 1.00 0.00 C ATOM 736 O THR A 50 -1.479 -9.959 11.880 1.00 0.00 O ATOM 737 CB THR A 50 -2.908 -7.654 11.084 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.675 -8.674 10.436 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.395 -6.284 10.636 1.00 0.00 C ATOM 0 H THR A 50 -1.856 -7.458 8.751 1.00 0.00 H new ATOM 0 HA THR A 50 -0.824 -7.234 11.459 1.00 0.00 H new ATOM 0 HB THR A 50 -3.038 -7.734 12.163 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.625 -8.552 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.454 -6.179 10.872 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.830 -5.509 11.154 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.251 -6.180 9.561 1.00 0.00 H new ATOM 747 N GLU A 51 -0.238 -9.818 10.008 1.00 0.00 N ATOM 748 CA GLU A 51 0.189 -11.211 10.055 1.00 0.00 C ATOM 749 C GLU A 51 1.711 -11.313 10.073 1.00 0.00 C ATOM 750 O GLU A 51 2.274 -12.273 10.601 1.00 0.00 O ATOM 751 CB GLU A 51 -0.371 -11.980 8.856 1.00 0.00 C ATOM 752 CG GLU A 51 -1.889 -11.989 8.794 1.00 0.00 C ATOM 753 CD GLU A 51 -2.438 -13.234 8.124 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.159 -14.345 8.620 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.145 -13.096 7.104 1.00 0.00 O ATOM 0 H GLU A 51 0.131 -9.290 9.217 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.198 -11.652 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.019 -11.540 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.011 -13.008 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.291 -11.918 9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.232 -11.108 8.252 1.00 0.00 H new ATOM 762 N CYS A 52 2.372 -10.318 9.492 1.00 0.00 N ATOM 763 CA CYS A 52 3.829 -10.294 9.439 1.00 0.00 C ATOM 764 C CYS A 52 4.402 -9.468 10.587 1.00 0.00 C ATOM 765 O CYS A 52 3.665 -8.995 11.453 1.00 0.00 O ATOM 766 CB CYS A 52 4.303 -9.724 8.100 1.00 0.00 C ATOM 767 SG CYS A 52 4.028 -10.833 6.681 1.00 0.00 S ATOM 0 H CYS A 52 1.921 -9.516 9.051 1.00 0.00 H new ATOM 0 HA CYS A 52 4.188 -11.319 9.537 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.788 -8.781 7.916 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.367 -9.498 8.170 1.00 0.00 H new ATOM 0 HG CYS A 52 3.539 -10.153 5.687 1.00 0.00 H new ATOM 772 N ILE A 53 5.720 -9.299 10.587 1.00 0.00 N ATOM 773 CA ILE A 53 6.391 -8.530 11.627 1.00 0.00 C ATOM 774 C ILE A 53 7.099 -7.313 11.041 1.00 0.00 C ATOM 775 O ILE A 53 7.849 -7.427 10.073 1.00 0.00 O ATOM 776 CB ILE A 53 7.417 -9.389 12.390 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.735 -10.616 12.999 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.099 -8.564 13.471 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.643 -10.272 13.988 1.00 0.00 C ATOM 0 H ILE A 53 6.344 -9.684 9.878 1.00 0.00 H new ATOM 0 HA ILE A 53 5.619 -8.199 12.322 1.00 0.00 H new ATOM 0 HB ILE A 53 8.177 -9.731 11.687 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.311 -11.221 12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.486 -11.229 13.498 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.821 -9.185 14.001 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.614 -7.719 13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.352 -8.196 14.174 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.204 -11.190 14.379 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.065 -9.693 14.809 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.872 -9.685 13.489 1.00 0.00 H new ATOM 791 N GLU A 54 6.855 -6.149 11.636 1.00 0.00 N ATOM 792 CA GLU A 54 7.471 -4.912 11.172 1.00 0.00 C ATOM 793 C GLU A 54 7.310 -4.756 9.663 1.00 0.00 C ATOM 794 O GLU A 54 8.282 -4.515 8.945 1.00 0.00 O ATOM 795 CB GLU A 54 8.955 -4.884 11.544 1.00 0.00 C ATOM 796 CG GLU A 54 9.206 -4.768 13.037 1.00 0.00 C ATOM 797 CD GLU A 54 10.504 -4.051 13.357 1.00 0.00 C ATOM 798 OE1 GLU A 54 10.614 -2.851 13.027 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.408 -4.688 13.936 1.00 0.00 O ATOM 0 H GLU A 54 6.236 -6.037 12.439 1.00 0.00 H new ATOM 0 HA GLU A 54 6.966 -4.079 11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.431 -5.792 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.432 -4.045 11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.377 -4.234 13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.228 -5.765 13.476 1.00 0.00 H new ATOM 806 N TYR A 55 6.078 -4.896 9.187 1.00 0.00 N ATOM 807 CA TYR A 55 5.789 -4.775 7.763 1.00 0.00 C ATOM 808 C TYR A 55 4.755 -3.682 7.508 1.00 0.00 C ATOM 809 O TYR A 55 3.698 -3.652 8.138 1.00 0.00 O ATOM 810 CB TYR A 55 5.286 -6.108 7.208 1.00 0.00 C ATOM 811 CG TYR A 55 5.481 -6.255 5.716 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.517 -5.809 4.821 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.632 -6.840 5.201 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.691 -5.942 3.458 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.816 -6.976 3.839 1.00 0.00 C ATOM 816 CZ TYR A 55 5.842 -6.526 2.971 1.00 0.00 C ATOM 817 OH TYR A 55 6.021 -6.659 1.613 1.00 0.00 O ATOM 0 H TYR A 55 5.263 -5.094 9.767 1.00 0.00 H new ATOM 0 HA TYR A 55 6.713 -4.502 7.253 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.804 -6.922 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.226 -6.211 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.615 -5.350 5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.396 -7.194 5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.930 -5.591 2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.717 -7.432 3.455 1.00 0.00 H new ATOM 0 HH TYR A 55 6.884 -7.090 1.437 1.00 0.00 H new ATOM 827 N HIS A 56 5.069 -2.785 6.579 1.00 0.00 N ATOM 828 CA HIS A 56 4.168 -1.690 6.238 1.00 0.00 C ATOM 829 C HIS A 56 4.245 -1.366 4.749 1.00 0.00 C ATOM 830 O HIS A 56 5.322 -1.392 4.153 1.00 0.00 O ATOM 831 CB HIS A 56 4.508 -0.447 7.060 1.00 0.00 C ATOM 832 CG HIS A 56 4.624 -0.714 8.530 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.709 -1.349 9.096 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.784 -0.426 9.551 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.531 -1.441 10.401 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.370 -0.889 10.703 1.00 0.00 N ATOM 0 H HIS A 56 5.940 -2.795 6.049 1.00 0.00 H new ATOM 0 HA HIS A 56 3.151 -2.004 6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.448 -0.029 6.700 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.740 0.308 6.896 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.830 0.075 9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.218 -1.891 11.102 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.973 -0.818 11.640 1.00 0.00 H new ATOM 844 N LEU A 57 3.096 -1.064 4.154 1.00 0.00 N ATOM 845 CA LEU A 57 3.033 -0.736 2.734 1.00 0.00 C ATOM 846 C LEU A 57 2.454 0.659 2.523 1.00 0.00 C ATOM 847 O LEU A 57 2.019 1.313 3.471 1.00 0.00 O ATOM 848 CB LEU A 57 2.188 -1.770 1.989 1.00 0.00 C ATOM 849 CG LEU A 57 2.932 -3.008 1.485 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.995 -3.910 0.699 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.126 -2.602 0.633 1.00 0.00 C ATOM 0 H LEU A 57 2.196 -1.039 4.633 1.00 0.00 H new ATOM 0 HA LEU A 57 4.048 -0.752 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.385 -2.097 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.719 -1.280 1.136 1.00 0.00 H new ATOM 0 HG LEU A 57 3.299 -3.565 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.542 -4.785 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.173 -4.228 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.597 -3.364 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.644 -3.495 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.781 -2.023 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.809 -1.997 1.229 1.00 0.00 H new ATOM 863 N CYS A 58 2.448 1.108 1.272 1.00 0.00 N ATOM 864 CA CYS A 58 1.920 2.425 0.935 1.00 0.00 C ATOM 865 C CYS A 58 0.783 2.312 -0.078 1.00 0.00 C ATOM 866 O CYS A 58 0.671 1.314 -0.790 1.00 0.00 O ATOM 867 CB CYS A 58 3.031 3.314 0.373 1.00 0.00 C ATOM 868 SG CYS A 58 3.776 2.690 -1.167 1.00 0.00 S ATOM 0 H CYS A 58 2.803 0.579 0.475 1.00 0.00 H new ATOM 0 HA CYS A 58 1.528 2.876 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.627 4.310 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.813 3.419 1.125 1.00 0.00 H new ATOM 0 HG CYS A 58 5.071 2.696 -1.056 1.00 0.00 H new ATOM 873 N GLN A 59 -0.056 3.341 -0.135 1.00 0.00 N ATOM 874 CA GLN A 59 -1.183 3.357 -1.059 1.00 0.00 C ATOM 875 C GLN A 59 -0.759 2.878 -2.443 1.00 0.00 C ATOM 876 O GLN A 59 -1.503 2.170 -3.120 1.00 0.00 O ATOM 877 CB GLN A 59 -1.774 4.765 -1.152 1.00 0.00 C ATOM 878 CG GLN A 59 -2.677 4.967 -2.358 1.00 0.00 C ATOM 879 CD GLN A 59 -4.019 4.280 -2.205 1.00 0.00 C ATOM 880 OE1 GLN A 59 -4.942 4.823 -1.596 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.136 3.078 -2.758 1.00 0.00 N ATOM 0 H GLN A 59 0.024 4.174 0.448 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.944 2.676 -0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.341 4.973 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.961 5.490 -1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.835 6.034 -2.514 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.178 4.586 -3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.346 2.665 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.016 2.568 -2.687 1.00 0.00 H new ATOM 890 N GLU A 60 0.442 3.272 -2.858 1.00 0.00 N ATOM 891 CA GLU A 60 0.964 2.883 -4.163 1.00 0.00 C ATOM 892 C GLU A 60 1.097 1.367 -4.266 1.00 0.00 C ATOM 893 O GLU A 60 0.382 0.720 -5.032 1.00 0.00 O ATOM 894 CB GLU A 60 2.321 3.544 -4.411 1.00 0.00 C ATOM 895 CG GLU A 60 2.586 3.860 -5.873 1.00 0.00 C ATOM 896 CD GLU A 60 3.766 4.793 -6.064 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.790 4.604 -5.375 1.00 0.00 O ATOM 898 OE2 GLU A 60 3.665 5.713 -6.903 1.00 0.00 O ATOM 0 H GLU A 60 1.070 3.859 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 60 0.259 3.220 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.378 4.466 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.109 2.887 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.770 2.932 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.696 4.312 -6.310 1.00 0.00 H new ATOM 905 N CYS A 61 2.018 0.806 -3.490 1.00 0.00 N ATOM 906 CA CYS A 61 2.248 -0.634 -3.493 1.00 0.00 C ATOM 907 C CYS A 61 0.947 -1.393 -3.248 1.00 0.00 C ATOM 908 O CYS A 61 0.761 -2.505 -3.743 1.00 0.00 O ATOM 909 CB CYS A 61 3.279 -1.010 -2.427 1.00 0.00 C ATOM 910 SG CYS A 61 4.990 -0.555 -2.854 1.00 0.00 S ATOM 0 H CYS A 61 2.618 1.327 -2.850 1.00 0.00 H new ATOM 0 HA CYS A 61 2.632 -0.913 -4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.009 -0.525 -1.489 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.232 -2.085 -2.255 1.00 0.00 H new ATOM 0 HG CYS A 61 5.655 -0.299 -1.767 1.00 0.00 H new ATOM 915 N PHE A 62 0.048 -0.784 -2.482 1.00 0.00 N ATOM 916 CA PHE A 62 -1.235 -1.402 -2.170 1.00 0.00 C ATOM 917 C PHE A 62 -2.088 -1.548 -3.427 1.00 0.00 C ATOM 918 O PHE A 62 -2.841 -2.512 -3.571 1.00 0.00 O ATOM 919 CB PHE A 62 -1.985 -0.571 -1.126 1.00 0.00 C ATOM 920 CG PHE A 62 -3.081 -1.328 -0.432 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.820 -2.047 0.723 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.372 -1.321 -0.936 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.827 -2.745 1.364 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.382 -2.016 -0.298 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.109 -2.730 0.852 1.00 0.00 C ATOM 0 H PHE A 62 0.185 0.137 -2.066 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.042 -2.395 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.275 -0.211 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.411 0.307 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.819 -2.063 1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.591 -0.767 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.611 -3.301 2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.385 -2.001 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.897 -3.276 1.350 1.00 0.00 H new ATOM 935 N ASP A 63 -1.963 -0.586 -4.335 1.00 0.00 N ATOM 936 CA ASP A 63 -2.721 -0.607 -5.580 1.00 0.00 C ATOM 937 C ASP A 63 -2.457 -1.894 -6.356 1.00 0.00 C ATOM 938 O ASP A 63 -3.273 -2.317 -7.174 1.00 0.00 O ATOM 939 CB ASP A 63 -2.362 0.604 -6.442 1.00 0.00 C ATOM 940 CG ASP A 63 -3.205 0.692 -7.699 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.443 0.798 -7.577 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.626 0.655 -8.804 1.00 0.00 O ATOM 0 H ASP A 63 -1.344 0.218 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.781 -0.565 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.492 1.514 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.309 0.550 -6.718 1.00 0.00 H new ATOM 947 N SER A 64 -1.310 -2.513 -6.092 1.00 0.00 N ATOM 948 CA SER A 64 -0.935 -3.749 -6.769 1.00 0.00 C ATOM 949 C SER A 64 -1.565 -4.956 -6.082 1.00 0.00 C ATOM 950 O SER A 64 -1.635 -6.044 -6.655 1.00 0.00 O ATOM 951 CB SER A 64 0.587 -3.900 -6.795 1.00 0.00 C ATOM 952 OG SER A 64 0.970 -5.102 -7.439 1.00 0.00 O ATOM 0 H SER A 64 -0.625 -2.179 -5.414 1.00 0.00 H new ATOM 0 HA SER A 64 -1.305 -3.700 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.031 -3.049 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.974 -3.891 -5.776 1.00 0.00 H new ATOM 0 HG SER A 64 1.947 -5.174 -7.444 1.00 0.00 H new ATOM 958 N TYR A 65 -2.024 -4.757 -4.851 1.00 0.00 N ATOM 959 CA TYR A 65 -2.646 -5.829 -4.084 1.00 0.00 C ATOM 960 C TYR A 65 -1.750 -7.062 -4.045 1.00 0.00 C ATOM 961 O TYR A 65 -2.226 -8.193 -4.157 1.00 0.00 O ATOM 962 CB TYR A 65 -4.006 -6.191 -4.685 1.00 0.00 C ATOM 963 CG TYR A 65 -5.106 -5.220 -4.322 1.00 0.00 C ATOM 964 CD1 TYR A 65 -5.006 -3.873 -4.648 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.245 -5.649 -3.652 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.009 -2.981 -4.318 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.254 -4.765 -3.319 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.131 -3.432 -3.654 1.00 0.00 C ATOM 969 OH TYR A 65 -8.132 -2.549 -3.323 1.00 0.00 O ATOM 0 H TYR A 65 -1.977 -3.862 -4.363 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.790 -5.475 -3.063 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.914 -6.234 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.288 -7.189 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.129 -3.517 -5.168 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.344 -6.691 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.915 -1.937 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.134 -5.116 -2.800 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.851 -3.028 -2.860 1.00 0.00 H new ATOM 979 N CYS A 66 -0.451 -6.837 -3.886 1.00 0.00 N ATOM 980 CA CYS A 66 0.514 -7.929 -3.832 1.00 0.00 C ATOM 981 C CYS A 66 0.478 -8.620 -2.473 1.00 0.00 C ATOM 982 O CYS A 66 0.208 -9.819 -2.381 1.00 0.00 O ATOM 983 CB CYS A 66 1.924 -7.406 -4.114 1.00 0.00 C ATOM 984 SG CYS A 66 3.042 -8.642 -4.816 1.00 0.00 S ATOM 0 H CYS A 66 -0.041 -5.908 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 66 0.244 -8.657 -4.597 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.856 -6.561 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.353 -7.029 -3.185 1.00 0.00 H new ATOM 0 HG CYS A 66 4.208 -8.105 -5.022 1.00 0.00 H new ATOM 990 N HIS A 67 0.752 -7.858 -1.419 1.00 0.00 N ATOM 991 CA HIS A 67 0.752 -8.398 -0.064 1.00 0.00 C ATOM 992 C HIS A 67 -0.673 -8.550 0.459 1.00 0.00 C ATOM 993 O HIS A 67 -0.905 -9.198 1.481 1.00 0.00 O ATOM 994 CB HIS A 67 1.556 -7.492 0.868 1.00 0.00 C ATOM 995 CG HIS A 67 2.207 -8.225 2.001 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.556 -8.143 2.274 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.685 -9.056 2.933 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.836 -8.893 3.325 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.718 -9.458 3.744 1.00 0.00 N ATOM 0 H HIS A 67 0.977 -6.865 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 67 1.218 -9.383 -0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.324 -6.979 0.289 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.896 -6.725 1.274 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.232 -7.590 1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.649 -9.349 3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.813 -9.022 3.767 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.625 -7.947 -0.245 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.028 -8.015 0.149 1.00 0.00 C ATOM 1009 C LEU A 68 -3.401 -9.425 0.593 1.00 0.00 C ATOM 1010 O LEU A 68 -4.355 -9.617 1.347 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.925 -7.578 -1.010 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.291 -6.094 -1.054 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.531 -5.825 -0.216 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.125 -5.243 -0.572 1.00 0.00 C ATOM 0 H LEU A 68 -1.451 -7.405 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.177 -7.338 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.428 -7.837 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.847 -8.158 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.510 -5.824 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.776 -4.764 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.367 -6.407 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.340 -6.111 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.403 -4.190 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.875 -5.516 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.261 -5.413 -1.214 1.00 0.00 H new ATOM 1026 N SER A 69 -2.642 -10.409 0.121 1.00 0.00 N ATOM 1027 CA SER A 69 -2.894 -11.803 0.468 1.00 0.00 C ATOM 1028 C SER A 69 -3.117 -11.957 1.970 1.00 0.00 C ATOM 1029 O SER A 69 -3.891 -12.807 2.410 1.00 0.00 O ATOM 1030 CB SER A 69 -1.725 -12.682 0.021 1.00 0.00 C ATOM 1031 OG SER A 69 -1.676 -12.786 -1.391 1.00 0.00 O ATOM 0 H SER A 69 -1.848 -10.267 -0.503 1.00 0.00 H new ATOM 0 HA SER A 69 -3.798 -12.123 -0.051 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.789 -12.263 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.825 -13.675 0.459 1.00 0.00 H new ATOM 0 HG SER A 69 -0.919 -13.352 -1.651 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.431 -11.129 2.751 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.552 -11.172 4.204 1.00 0.00 C ATOM 1039 C HIS A 70 -3.543 -10.122 4.698 1.00 0.00 C ATOM 1040 O HIS A 70 -4.017 -9.287 3.925 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.188 -10.950 4.858 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.355 -12.192 4.942 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.976 -12.183 5.302 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.672 -13.488 4.711 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.442 -13.418 5.288 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.462 -14.230 4.932 1.00 0.00 N ATOM 0 H HIS A 70 -1.786 -10.420 2.402 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.924 -12.158 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.642 -10.194 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.336 -10.553 5.862 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.516 -11.352 5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.637 -13.867 4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.453 -13.715 5.527 1.00 0.00 H new ATOM 1054 N THR A 71 -3.854 -10.169 5.989 1.00 0.00 N ATOM 1055 CA THR A 71 -4.789 -9.224 6.585 1.00 0.00 C ATOM 1056 C THR A 71 -4.120 -7.880 6.851 1.00 0.00 C ATOM 1057 O THR A 71 -3.364 -7.731 7.811 1.00 0.00 O ATOM 1058 CB THR A 71 -5.370 -9.765 7.906 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.767 -11.131 7.743 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.564 -8.934 8.353 1.00 0.00 C ATOM 0 H THR A 71 -3.471 -10.852 6.642 1.00 0.00 H new ATOM 0 HA THR A 71 -5.599 -9.088 5.868 1.00 0.00 H new ATOM 0 HB THR A 71 -4.596 -9.701 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.134 -11.468 8.587 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.957 -9.335 9.287 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.252 -7.901 8.504 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.340 -8.970 7.588 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.401 -6.905 5.993 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.825 -5.573 6.135 1.00 0.00 C ATOM 1070 C PHE A 72 -4.841 -4.601 6.729 1.00 0.00 C ATOM 1071 O PHE A 72 -6.034 -4.899 6.801 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.341 -5.056 4.779 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.907 -5.394 4.486 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.447 -6.695 4.618 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -1.019 -4.412 4.079 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.129 -7.010 4.348 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.301 -4.721 3.808 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.747 -6.021 3.944 1.00 0.00 C ATOM 0 H PHE A 72 -5.024 -7.012 5.192 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.975 -5.643 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.972 -5.473 3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.465 -3.974 4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.127 -7.472 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.362 -3.393 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.216 -8.028 4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.983 -3.946 3.490 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.778 -6.264 3.735 1.00 0.00 H new ATOM 1088 N THR A 73 -4.360 -3.437 7.153 1.00 0.00 N ATOM 1089 CA THR A 73 -5.224 -2.421 7.741 1.00 0.00 C ATOM 1090 C THR A 73 -4.713 -1.019 7.433 1.00 0.00 C ATOM 1091 O THR A 73 -3.529 -0.727 7.603 1.00 0.00 O ATOM 1092 CB THR A 73 -5.332 -2.592 9.269 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.028 -2.764 9.835 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.204 -3.788 9.619 1.00 0.00 C ATOM 0 H THR A 73 -3.376 -3.174 7.100 1.00 0.00 H new ATOM 0 HA THR A 73 -6.211 -2.550 7.297 1.00 0.00 H new ATOM 0 HB THR A 73 -5.792 -1.694 9.682 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.104 -2.870 10.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.266 -3.889 10.703 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.204 -3.641 9.211 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.768 -4.693 9.195 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.614 -0.153 6.980 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.253 1.221 6.647 1.00 0.00 C ATOM 1104 C PHE A 74 -5.747 2.187 7.720 1.00 0.00 C ATOM 1105 O PHE A 74 -6.755 1.936 8.380 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.838 1.609 5.287 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.279 2.027 5.351 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.289 1.079 5.356 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.623 3.368 5.405 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.617 1.461 5.416 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.948 3.756 5.465 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.946 2.801 5.469 1.00 0.00 C ATOM 0 H PHE A 74 -6.598 -0.378 6.835 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.166 1.284 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.250 2.425 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.743 0.764 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.037 0.030 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.847 4.119 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.395 0.712 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.203 4.805 5.509 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.982 3.102 5.514 1.00 0.00 H new ATOM 1122 N ARG A 75 -5.029 3.293 7.887 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.392 4.296 8.881 1.00 0.00 C ATOM 1124 C ARG A 75 -6.093 5.482 8.224 1.00 0.00 C ATOM 1125 O ARG A 75 -6.285 5.506 7.009 1.00 0.00 O ATOM 1126 CB ARG A 75 -4.147 4.777 9.630 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.903 4.043 10.938 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.328 4.970 11.998 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.916 5.259 11.765 1.00 0.00 N ATOM 1130 CZ ARG A 75 -1.309 6.356 12.202 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.987 7.263 12.892 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -0.020 6.548 11.950 1.00 0.00 N ATOM 0 H ARG A 75 -4.193 3.517 7.347 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.080 3.836 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.276 4.655 8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.245 5.843 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.839 3.615 11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.217 3.213 10.768 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.892 5.903 12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.447 4.515 12.981 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.366 4.581 11.238 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.977 7.119 13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.518 8.105 13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.505 5.852 11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.445 7.391 12.286 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.472 6.463 9.037 1.00 0.00 N ATOM 1147 CA GLU A 76 -7.153 7.651 8.535 1.00 0.00 C ATOM 1148 C GLU A 76 -6.514 8.920 9.089 1.00 0.00 C ATOM 1149 O GLU A 76 -5.706 8.868 10.017 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.637 7.610 8.905 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.495 6.855 7.903 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.952 7.270 7.953 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -11.278 8.358 7.433 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.767 6.507 8.512 1.00 0.00 O ATOM 0 H GLU A 76 -6.319 6.459 10.045 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.057 7.662 7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.745 7.146 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.009 8.631 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.107 7.024 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.419 5.785 8.098 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.881 10.060 8.514 1.00 0.00 N ATOM 1162 CA LYS A 77 -6.345 11.345 8.950 1.00 0.00 C ATOM 1163 C LYS A 77 -6.417 11.478 10.468 1.00 0.00 C ATOM 1164 O LYS A 77 -7.166 10.758 11.128 1.00 0.00 O ATOM 1165 CB LYS A 77 -7.114 12.491 8.290 1.00 0.00 C ATOM 1166 CG LYS A 77 -8.605 12.468 8.576 1.00 0.00 C ATOM 1167 CD LYS A 77 -9.300 13.698 8.016 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.619 13.963 8.725 1.00 0.00 C ATOM 1169 NZ LYS A 77 -11.606 12.874 8.486 1.00 0.00 N ATOM 0 H LYS A 77 -7.548 10.121 7.745 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.299 11.396 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.701 13.439 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.959 12.448 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.046 11.571 8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.769 12.415 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.648 14.565 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.480 13.562 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.442 14.064 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.033 14.910 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.491 13.092 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.795 12.794 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.222 11.974 8.838 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.634 12.403 11.014 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.610 12.630 12.453 1.00 0.00 C ATOM 1185 C ARG A 78 -6.997 12.433 13.059 1.00 0.00 C ATOM 1186 O ARG A 78 -8.009 12.606 12.382 1.00 0.00 O ATOM 1187 CB ARG A 78 -5.103 14.040 12.760 1.00 0.00 C ATOM 1188 CG ARG A 78 -3.595 14.122 12.932 1.00 0.00 C ATOM 1189 CD ARG A 78 -3.187 13.918 14.382 1.00 0.00 C ATOM 1190 NE ARG A 78 -1.880 14.502 14.671 1.00 0.00 N ATOM 1191 CZ ARG A 78 -1.475 14.830 15.892 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -2.271 14.632 16.934 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -0.271 15.357 16.074 1.00 0.00 N ATOM 0 H ARG A 78 -5.008 13.007 10.481 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.932 11.902 12.898 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.405 14.709 11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.584 14.400 13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.115 13.368 12.309 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.241 15.093 12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.936 14.365 15.036 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.165 12.851 14.606 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.243 14.667 13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.197 14.227 16.799 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.957 14.885 17.871 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.345 15.511 15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.039 15.609 17.013 1.00 0.00 H new ATOM 1207 N ASN A 79 -7.033 12.070 14.337 1.00 0.00 N ATOM 1208 CA ASN A 79 -8.295 11.848 15.033 1.00 0.00 C ATOM 1209 C ASN A 79 -9.050 10.668 14.428 1.00 0.00 C ATOM 1210 O ASN A 79 -10.263 10.731 14.230 1.00 0.00 O ATOM 1211 CB ASN A 79 -9.162 13.107 14.973 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.403 14.353 15.387 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -7.256 14.276 15.829 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -9.040 15.509 15.245 1.00 0.00 N ATOM 0 H ASN A 79 -6.203 11.923 14.911 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.071 11.618 16.075 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.541 13.236 13.959 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.028 12.980 15.623 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.579 16.381 15.506 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.990 15.526 14.874 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.323 9.594 14.138 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.924 8.400 13.556 1.00 0.00 C ATOM 1223 C GLN A 80 -8.161 7.147 13.974 1.00 0.00 C ATOM 1224 O GLN A 80 -7.052 7.230 14.502 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.953 8.509 12.031 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.641 9.766 11.523 1.00 0.00 C ATOM 1227 CD GLN A 80 -11.123 9.788 11.840 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.658 10.799 12.296 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.797 8.669 11.599 1.00 0.00 N ATOM 0 H GLN A 80 -7.318 9.526 14.296 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.946 8.321 13.927 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.930 8.487 11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.462 7.636 11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.165 10.641 11.967 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.503 9.841 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.314 7.854 11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.798 8.625 11.792 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.762 5.987 13.734 1.00 0.00 N ATOM 1239 CA LYS A 81 -8.140 4.715 14.084 1.00 0.00 C ATOM 1240 C LYS A 81 -8.098 3.780 12.880 1.00 0.00 C ATOM 1241 O LYS A 81 -8.866 3.940 11.932 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.901 4.051 15.233 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.852 4.838 16.532 1.00 0.00 C ATOM 1244 CD LYS A 81 -7.671 4.421 17.392 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.348 4.799 16.744 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.823 3.707 15.877 1.00 0.00 N ATOM 0 H LYS A 81 -9.680 5.901 13.298 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.117 4.915 14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.942 3.917 14.938 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.488 3.057 15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.784 5.903 16.311 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.778 4.686 17.086 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.747 4.895 18.370 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.702 3.344 17.557 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.480 5.703 16.150 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.617 5.031 17.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.011 3.254 16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.570 3.001 15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.521 4.103 14.964 1.00 0.00 H new ATOM 1260 N TRP A 82 -7.198 2.805 12.926 1.00 0.00 N ATOM 1261 CA TRP A 82 -7.058 1.843 11.838 1.00 0.00 C ATOM 1262 C TRP A 82 -8.423 1.364 11.355 1.00 0.00 C ATOM 1263 O TRP A 82 -9.436 1.575 12.022 1.00 0.00 O ATOM 1264 CB TRP A 82 -6.216 0.649 12.291 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.815 1.021 12.673 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.361 1.330 13.923 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.687 1.124 11.798 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -3.019 1.619 13.878 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.581 1.499 12.586 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.502 0.934 10.426 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.312 1.688 12.045 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -2.242 1.122 9.890 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -1.160 1.495 10.699 1.00 0.00 C ATOM 0 H TRP A 82 -6.555 2.659 13.704 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.554 2.341 11.009 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.703 0.172 13.142 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.183 -0.088 11.489 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.968 1.345 14.816 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.442 1.881 14.677 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.330 0.645 9.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.477 1.977 12.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.089 0.979 8.831 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.187 1.633 10.251 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.442 0.720 10.193 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.683 0.213 9.622 1.00 0.00 C ATOM 1286 C ARG A 83 -9.449 -1.113 8.903 1.00 0.00 C ATOM 1287 O ARG A 83 -8.398 -1.326 8.299 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.277 1.234 8.649 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.351 2.642 9.215 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.530 3.412 8.642 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.802 2.750 8.917 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.977 3.367 8.870 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -14.042 4.654 8.559 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -15.092 2.696 9.133 1.00 0.00 N ATOM 0 H ARG A 83 -7.612 0.537 9.629 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.387 0.046 10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.677 1.248 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.279 0.912 8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.439 2.595 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.426 3.174 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.546 4.417 9.064 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.403 3.520 7.565 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.787 1.759 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.188 5.173 8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.946 5.125 8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.047 1.705 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.994 3.171 9.097 1.00 0.00 H new ATOM 1308 N SER A 84 -10.436 -2.001 8.975 1.00 0.00 N ATOM 1309 CA SER A 84 -10.336 -3.308 8.336 1.00 0.00 C ATOM 1310 C SER A 84 -10.672 -3.214 6.850 1.00 0.00 C ATOM 1311 O SER A 84 -11.799 -2.885 6.477 1.00 0.00 O ATOM 1312 CB SER A 84 -11.271 -4.307 9.019 1.00 0.00 C ATOM 1313 OG SER A 84 -10.832 -4.599 10.335 1.00 0.00 O ATOM 0 H SER A 84 -11.313 -1.839 9.469 1.00 0.00 H new ATOM 0 HA SER A 84 -9.308 -3.656 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.282 -3.900 9.051 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.316 -5.226 8.435 1.00 0.00 H new ATOM 0 HG SER A 84 -11.447 -5.238 10.751 1.00 0.00 H new