USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 SER OG : rot -108:sc= 0.519 USER MOD Set 1.2: A 66 CYS SG : rot 180:sc= 0.466 USER MOD Set 2.1: A 49 CYS SG : rot -162:sc= -1.7 USER MOD Set 2.2: A 52 CYS SG : rot 135:sc= 0.768 USER MOD Set 2.3: A 55 TYR OH : rot 180:sc= 0.721 USER MOD Set 2.4: A 67 HIS : no HE2:sc= -5.58! C(o=-6.1!,f=-15!) USER MOD Set 2.5: A 70 HIS : no HE2:sc= -0.259 X(o=-6.1,f=-6.5) USER MOD Set 3.1: A 47 TYR OH : rot -7:sc= 0.568 USER MOD Set 3.2: A 59 GLN : amide:sc= 1.42 K(o=2,f=-0.86) USER MOD Set 4.1: A 35 ASN : amide:sc= 0.0898 K(o=-5,f=-5.9) USER MOD Set 4.2: A 56 HIS : no HD1:sc= -5.09 K(o=-5,f=-6.7!) USER MOD Set 5.1: A 34 CYS SG : rot 141:sc= -2.54! USER MOD Set 5.2: A 37 CYS SG : rot -64:sc= -0.682 USER MOD Set 5.3: A 58 CYS SG : rot -127:sc= 0.984 USER MOD Set 5.4: A 61 CYS SG : rot 145:sc= -1.41 USER MOD Single : A 36 ASN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= -0.0419 (180deg=-0.355) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0371 (180deg=-0.291) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.161 (180deg=-0.793) USER MOD Single : A 50 THR OG1 : rot -76:sc= -0.853! USER MOD Single : A 65 TYR OH : 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 75:sc= 1.36 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.842 K(o=-0.84,f=-6.6!) USER MOD Single : A 80 GLN : amide:sc= -4.04! C(o=-4!,f=-8.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 27:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 426 N LEU A 30 5.613 11.205 9.541 1.00 0.00 N ATOM 427 CA LEU A 30 6.700 10.233 9.558 1.00 0.00 C ATOM 428 C LEU A 30 6.157 8.808 9.504 1.00 0.00 C ATOM 429 O LEU A 30 6.693 7.956 8.797 1.00 0.00 O ATOM 430 CB LEU A 30 7.556 10.417 10.813 1.00 0.00 C ATOM 431 CG LEU A 30 8.675 11.455 10.715 1.00 0.00 C ATOM 432 CD1 LEU A 30 9.677 11.060 9.641 1.00 0.00 C ATOM 433 CD2 LEU A 30 8.100 12.834 10.429 1.00 0.00 C ATOM 0 HA LEU A 30 7.318 10.401 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.901 10.695 11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.001 9.456 11.070 1.00 0.00 H new ATOM 0 HG LEU A 30 9.195 11.492 11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.466 11.810 9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.113 10.092 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.171 10.994 8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.911 13.560 10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.554 12.812 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.422 13.120 11.234 1.00 0.00 H new ATOM 445 N GLY A 31 5.088 8.559 10.254 1.00 0.00 N ATOM 446 CA GLY A 31 4.489 7.237 10.275 1.00 0.00 C ATOM 447 C GLY A 31 5.514 6.133 10.108 1.00 0.00 C ATOM 448 O GLY A 31 6.409 5.977 10.939 1.00 0.00 O ATOM 0 H GLY A 31 4.626 9.248 10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.959 7.097 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.748 7.164 9.479 1.00 0.00 H new ATOM 452 N ILE A 32 5.384 5.365 9.032 1.00 0.00 N ATOM 453 CA ILE A 32 6.306 4.269 8.759 1.00 0.00 C ATOM 454 C ILE A 32 6.551 4.116 7.262 1.00 0.00 C ATOM 455 O ILE A 32 5.632 4.196 6.447 1.00 0.00 O ATOM 456 CB ILE A 32 5.779 2.936 9.322 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.602 3.031 10.838 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.725 1.799 8.964 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.543 2.099 11.383 1.00 0.00 C ATOM 0 H ILE A 32 4.649 5.481 8.334 1.00 0.00 H new ATOM 0 HA ILE A 32 7.245 4.516 9.254 1.00 0.00 H new ATOM 0 HB ILE A 32 4.807 2.729 8.874 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.553 2.809 11.321 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.342 4.056 11.102 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.339 0.863 9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.805 1.720 7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.710 1.998 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.473 2.221 12.464 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.581 2.335 10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.811 1.068 11.151 1.00 0.00 H new ATOM 471 N PRO A 33 7.819 3.887 6.890 1.00 0.00 N ATOM 472 CA PRO A 33 8.213 3.714 5.488 1.00 0.00 C ATOM 473 C PRO A 33 7.701 2.405 4.899 1.00 0.00 C ATOM 474 O PRO A 33 7.413 1.455 5.627 1.00 0.00 O ATOM 475 CB PRO A 33 9.743 3.711 5.549 1.00 0.00 C ATOM 476 CG PRO A 33 10.067 3.254 6.929 1.00 0.00 C ATOM 477 CD PRO A 33 8.965 3.778 7.808 1.00 0.00 C ATOM 0 HA PRO A 33 7.799 4.494 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.168 3.042 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.149 4.704 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.121 2.166 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.036 3.636 7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.754 3.100 8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.223 4.743 8.244 1.00 0.00 H new ATOM 485 N CYS A 34 7.589 2.361 3.576 1.00 0.00 N ATOM 486 CA CYS A 34 7.111 1.168 2.887 1.00 0.00 C ATOM 487 C CYS A 34 8.160 0.060 2.926 1.00 0.00 C ATOM 488 O CYS A 34 9.354 0.326 3.062 1.00 0.00 O ATOM 489 CB CYS A 34 6.757 1.498 1.436 1.00 0.00 C ATOM 490 SG CYS A 34 5.788 0.206 0.594 1.00 0.00 S ATOM 0 H CYS A 34 7.823 3.139 2.959 1.00 0.00 H new ATOM 0 HA CYS A 34 6.217 0.817 3.401 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.194 2.431 1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.678 1.668 0.878 1.00 0.00 H new ATOM 0 HG CYS A 34 4.891 0.762 -0.165 1.00 0.00 H new ATOM 495 N ASN A 35 7.705 -1.183 2.806 1.00 0.00 N ATOM 496 CA ASN A 35 8.604 -2.331 2.828 1.00 0.00 C ATOM 497 C ASN A 35 8.973 -2.760 1.412 1.00 0.00 C ATOM 498 O ASN A 35 10.021 -3.366 1.189 1.00 0.00 O ATOM 499 CB ASN A 35 7.955 -3.499 3.574 1.00 0.00 C ATOM 500 CG ASN A 35 8.170 -3.420 5.073 1.00 0.00 C ATOM 501 OD1 ASN A 35 7.834 -2.420 5.707 1.00 0.00 O ATOM 502 ND2 ASN A 35 8.733 -4.477 5.646 1.00 0.00 N ATOM 0 H ASN A 35 6.720 -1.421 2.693 1.00 0.00 H new ATOM 0 HA ASN A 35 9.515 -2.037 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.886 -3.511 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.364 -4.437 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.903 -4.482 6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.995 -5.284 5.081 1.00 0.00 H new ATOM 509 N ASN A 36 8.105 -2.441 0.457 1.00 0.00 N ATOM 510 CA ASN A 36 8.340 -2.793 -0.939 1.00 0.00 C ATOM 511 C ASN A 36 9.112 -1.689 -1.655 1.00 0.00 C ATOM 512 O ASN A 36 10.304 -1.828 -1.930 1.00 0.00 O ATOM 513 CB ASN A 36 7.011 -3.047 -1.652 1.00 0.00 C ATOM 514 CG ASN A 36 7.167 -3.951 -2.860 1.00 0.00 C ATOM 515 OD1 ASN A 36 6.709 -5.094 -2.857 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.816 -3.441 -3.900 1.00 0.00 N ATOM 0 H ASN A 36 7.233 -1.939 0.624 1.00 0.00 H new ATOM 0 HA ASN A 36 8.938 -3.704 -0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.307 -3.498 -0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.583 -2.095 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.952 -4.002 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.178 -2.489 -3.858 1.00 0.00 H new ATOM 523 N CYS A 37 8.424 -0.593 -1.956 1.00 0.00 N ATOM 524 CA CYS A 37 9.043 0.535 -2.641 1.00 0.00 C ATOM 525 C CYS A 37 9.994 1.282 -1.709 1.00 0.00 C ATOM 526 O CYS A 37 10.955 1.908 -2.156 1.00 0.00 O ATOM 527 CB CYS A 37 7.971 1.491 -3.166 1.00 0.00 C ATOM 528 SG CYS A 37 7.175 2.498 -1.873 1.00 0.00 S ATOM 0 H CYS A 37 7.437 -0.462 -1.736 1.00 0.00 H new ATOM 0 HA CYS A 37 9.617 0.146 -3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.422 2.156 -3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.206 0.913 -3.684 1.00 0.00 H new ATOM 0 HG CYS A 37 6.519 1.723 -1.061 1.00 0.00 H new ATOM 533 N LYS A 38 9.718 1.211 -0.411 1.00 0.00 N ATOM 534 CA LYS A 38 10.548 1.877 0.586 1.00 0.00 C ATOM 535 C LYS A 38 10.425 3.393 0.469 1.00 0.00 C ATOM 536 O LYS A 38 11.423 4.111 0.523 1.00 0.00 O ATOM 537 CB LYS A 38 12.011 1.460 0.423 1.00 0.00 C ATOM 538 CG LYS A 38 12.213 -0.045 0.386 1.00 0.00 C ATOM 539 CD LYS A 38 12.226 -0.641 1.784 1.00 0.00 C ATOM 540 CE LYS A 38 13.617 -0.591 2.398 1.00 0.00 C ATOM 541 NZ LYS A 38 14.562 -1.510 1.705 1.00 0.00 N ATOM 0 H LYS A 38 8.925 0.698 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 38 10.199 1.576 1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.404 1.894 -0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.593 1.876 1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.417 -0.505 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.152 -0.275 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.527 -0.097 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.882 -1.674 1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.000 0.428 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.558 -0.858 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.345 -1.750 2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.062 -2.379 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.940 -1.043 0.856 1.00 0.00 H new ATOM 555 N GLN A 39 9.196 3.873 0.311 1.00 0.00 N ATOM 556 CA GLN A 39 8.944 5.304 0.188 1.00 0.00 C ATOM 557 C GLN A 39 8.891 5.967 1.560 1.00 0.00 C ATOM 558 O GLN A 39 8.090 5.587 2.414 1.00 0.00 O ATOM 559 CB GLN A 39 7.634 5.550 -0.562 1.00 0.00 C ATOM 560 CG GLN A 39 7.376 7.016 -0.872 1.00 0.00 C ATOM 561 CD GLN A 39 6.160 7.222 -1.752 1.00 0.00 C ATOM 562 OE1 GLN A 39 5.328 6.326 -1.901 1.00 0.00 O ATOM 563 NE2 GLN A 39 6.049 8.406 -2.343 1.00 0.00 N ATOM 0 H GLN A 39 8.359 3.292 0.265 1.00 0.00 H new ATOM 0 HA GLN A 39 9.766 5.745 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.648 4.987 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.807 5.162 0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.241 7.562 0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.252 7.439 -1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.761 9.120 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.251 8.601 -2.948 1.00 0.00 H new ATOM 572 N PHE A 40 9.749 6.960 1.766 1.00 0.00 N ATOM 573 CA PHE A 40 9.801 7.676 3.035 1.00 0.00 C ATOM 574 C PHE A 40 10.175 9.139 2.820 1.00 0.00 C ATOM 575 O PHE A 40 11.212 9.463 2.241 1.00 0.00 O ATOM 576 CB PHE A 40 10.809 7.014 3.978 1.00 0.00 C ATOM 577 CG PHE A 40 10.427 7.110 5.427 1.00 0.00 C ATOM 578 CD1 PHE A 40 9.150 6.772 5.845 1.00 0.00 C ATOM 579 CD2 PHE A 40 11.346 7.538 6.372 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.796 6.859 7.178 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.997 7.627 7.706 1.00 0.00 C ATOM 582 CZ PHE A 40 9.720 7.288 8.110 1.00 0.00 C ATOM 0 H PHE A 40 10.419 7.288 1.070 1.00 0.00 H new ATOM 0 HA PHE A 40 8.810 7.635 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.912 5.963 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.785 7.477 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.423 6.437 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.346 7.805 6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.797 6.592 7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.722 7.962 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.445 7.358 9.152 1.00 0.00 H new ATOM 592 N PRO A 41 9.310 10.047 3.297 1.00 0.00 N ATOM 593 CA PRO A 41 8.072 9.673 3.988 1.00 0.00 C ATOM 594 C PRO A 41 7.048 9.048 3.046 1.00 0.00 C ATOM 595 O PRO A 41 7.210 9.085 1.826 1.00 0.00 O ATOM 596 CB PRO A 41 7.553 11.007 4.532 1.00 0.00 C ATOM 597 CG PRO A 41 8.132 12.037 3.624 1.00 0.00 C ATOM 598 CD PRO A 41 9.473 11.507 3.198 1.00 0.00 C ATOM 0 HA PRO A 41 8.246 8.921 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.464 11.040 4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.870 11.165 5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.487 12.204 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.235 12.994 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.723 11.815 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.272 11.867 3.846 1.00 0.00 H new ATOM 606 N ILE A 42 5.996 8.476 3.620 1.00 0.00 N ATOM 607 CA ILE A 42 4.946 7.844 2.831 1.00 0.00 C ATOM 608 C ILE A 42 3.788 8.806 2.587 1.00 0.00 C ATOM 609 O ILE A 42 3.095 9.208 3.520 1.00 0.00 O ATOM 610 CB ILE A 42 4.408 6.576 3.521 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.403 5.424 3.368 1.00 0.00 C ATOM 612 CG2 ILE A 42 3.053 6.193 2.945 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.902 4.114 3.932 1.00 0.00 C ATOM 0 H ILE A 42 5.848 8.437 4.628 1.00 0.00 H new ATOM 0 HA ILE A 42 5.393 7.566 1.876 1.00 0.00 H new ATOM 0 HB ILE A 42 4.283 6.784 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.632 5.291 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.335 5.691 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.687 5.295 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.347 7.009 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.153 6.000 1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.659 3.343 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.699 4.230 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.986 3.823 3.418 1.00 0.00 H new ATOM 625 N GLU A 43 3.584 9.168 1.324 1.00 0.00 N ATOM 626 CA GLU A 43 2.509 10.083 0.957 1.00 0.00 C ATOM 627 C GLU A 43 1.149 9.399 1.074 1.00 0.00 C ATOM 628 O GLU A 43 0.265 9.870 1.788 1.00 0.00 O ATOM 629 CB GLU A 43 2.711 10.597 -0.470 1.00 0.00 C ATOM 630 CG GLU A 43 3.624 11.809 -0.556 1.00 0.00 C ATOM 631 CD GLU A 43 3.393 12.624 -1.814 1.00 0.00 C ATOM 632 OE1 GLU A 43 2.482 13.479 -1.808 1.00 0.00 O ATOM 633 OE2 GLU A 43 4.123 12.408 -2.804 1.00 0.00 O ATOM 0 H GLU A 43 4.148 8.842 0.539 1.00 0.00 H new ATOM 0 HA GLU A 43 2.534 10.927 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.126 9.795 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.741 10.852 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.465 12.442 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.663 11.480 -0.526 1.00 0.00 H new ATOM 640 N GLY A 44 0.991 8.284 0.367 1.00 0.00 N ATOM 641 CA GLY A 44 -0.263 7.554 0.405 1.00 0.00 C ATOM 642 C GLY A 44 -0.633 7.109 1.806 1.00 0.00 C ATOM 643 O GLY A 44 0.116 7.337 2.756 1.00 0.00 O ATOM 0 H GLY A 44 1.708 7.874 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.058 8.183 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.191 6.681 -0.243 1.00 0.00 H new ATOM 647 N LYS A 45 -1.792 6.474 1.936 1.00 0.00 N ATOM 648 CA LYS A 45 -2.262 5.996 3.231 1.00 0.00 C ATOM 649 C LYS A 45 -1.175 5.197 3.943 1.00 0.00 C ATOM 650 O LYS A 45 -0.062 5.056 3.435 1.00 0.00 O ATOM 651 CB LYS A 45 -3.513 5.131 3.055 1.00 0.00 C ATOM 652 CG LYS A 45 -4.810 5.919 3.116 1.00 0.00 C ATOM 653 CD LYS A 45 -5.341 6.010 4.537 1.00 0.00 C ATOM 654 CE LYS A 45 -6.329 7.156 4.690 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.660 8.483 4.587 1.00 0.00 N ATOM 0 H LYS A 45 -2.424 6.278 1.160 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.510 6.864 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.456 4.615 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.527 4.364 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.646 6.922 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.555 5.445 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.826 5.072 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.510 6.149 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.099 7.077 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.831 7.076 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.271 9.213 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.754 8.456 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.487 8.708 3.586 1.00 0.00 H new ATOM 669 N CYS A 46 -1.505 4.676 5.119 1.00 0.00 N ATOM 670 CA CYS A 46 -0.556 3.890 5.901 1.00 0.00 C ATOM 671 C CYS A 46 -1.065 2.467 6.102 1.00 0.00 C ATOM 672 O CYS A 46 -1.907 2.214 6.964 1.00 0.00 O ATOM 673 CB CYS A 46 -0.308 4.553 7.256 1.00 0.00 C ATOM 674 SG CYS A 46 0.373 6.224 7.147 1.00 0.00 S ATOM 0 H CYS A 46 -2.422 4.783 5.553 1.00 0.00 H new ATOM 0 HA CYS A 46 0.383 3.846 5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.248 4.590 7.807 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.376 3.931 7.833 1.00 0.00 H new ATOM 0 HG CYS A 46 0.545 6.701 8.344 1.00 0.00 H new ATOM 680 N TYR A 47 -0.550 1.541 5.301 1.00 0.00 N ATOM 681 CA TYR A 47 -0.955 0.143 5.389 1.00 0.00 C ATOM 682 C TYR A 47 0.003 -0.648 6.274 1.00 0.00 C ATOM 683 O TYR A 47 1.170 -0.285 6.425 1.00 0.00 O ATOM 684 CB TYR A 47 -1.012 -0.482 3.994 1.00 0.00 C ATOM 685 CG TYR A 47 -2.180 -0.001 3.162 1.00 0.00 C ATOM 686 CD1 TYR A 47 -2.208 1.289 2.647 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.256 -0.838 2.891 1.00 0.00 C ATOM 688 CE1 TYR A 47 -3.274 1.732 1.888 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.325 -0.404 2.131 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.329 0.882 1.633 1.00 0.00 C ATOM 691 OH TYR A 47 -5.392 1.319 0.875 1.00 0.00 O ATOM 0 H TYR A 47 0.149 1.733 4.583 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.948 0.107 5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.085 -0.258 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.069 -1.566 4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.382 1.957 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.256 -1.845 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.281 2.739 1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.152 -1.068 1.928 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.293 2.277 0.694 1.00 0.00 H new ATOM 701 N LYS A 48 -0.497 -1.732 6.856 1.00 0.00 N ATOM 702 CA LYS A 48 0.313 -2.578 7.725 1.00 0.00 C ATOM 703 C LYS A 48 -0.263 -3.988 7.801 1.00 0.00 C ATOM 704 O LYS A 48 -1.463 -4.170 8.011 1.00 0.00 O ATOM 705 CB LYS A 48 0.395 -1.972 9.128 1.00 0.00 C ATOM 706 CG LYS A 48 1.077 -2.875 10.141 1.00 0.00 C ATOM 707 CD LYS A 48 1.098 -2.246 11.524 1.00 0.00 C ATOM 708 CE LYS A 48 -0.138 -2.622 12.326 1.00 0.00 C ATOM 709 NZ LYS A 48 -0.239 -4.094 12.531 1.00 0.00 N ATOM 0 H LYS A 48 -1.461 -2.046 6.742 1.00 0.00 H new ATOM 0 HA LYS A 48 1.316 -2.637 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.935 -1.026 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.613 -1.745 9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.558 -3.833 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.098 -3.080 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.992 -2.569 12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.157 -1.162 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.109 -2.122 13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.029 -2.265 11.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.799 -4.288 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.703 -4.528 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.714 -4.495 12.643 1.00 0.00 H new ATOM 723 N CYS A 49 0.600 -4.985 7.632 1.00 0.00 N ATOM 724 CA CYS A 49 0.178 -6.379 7.683 1.00 0.00 C ATOM 725 C CYS A 49 -0.037 -6.830 9.125 1.00 0.00 C ATOM 726 O CYS A 49 0.902 -6.876 9.920 1.00 0.00 O ATOM 727 CB CYS A 49 1.219 -7.274 7.007 1.00 0.00 C ATOM 728 SG CYS A 49 0.672 -8.993 6.755 1.00 0.00 S ATOM 0 H CYS A 49 1.596 -4.852 7.458 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.768 -6.466 7.149 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.481 -6.842 6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.126 -7.278 7.611 1.00 0.00 H new ATOM 0 HG CYS A 49 1.707 -9.751 6.542 1.00 0.00 H new ATOM 733 N THR A 50 -1.281 -7.162 9.456 1.00 0.00 N ATOM 734 CA THR A 50 -1.621 -7.609 10.801 1.00 0.00 C ATOM 735 C THR A 50 -1.278 -9.081 10.994 1.00 0.00 C ATOM 736 O THR A 50 -1.505 -9.645 12.064 1.00 0.00 O ATOM 737 CB THR A 50 -3.117 -7.398 11.102 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.902 -8.347 10.371 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.548 -5.986 10.736 1.00 0.00 C ATOM 0 H THR A 50 -2.070 -7.130 8.810 1.00 0.00 H new ATOM 0 HA THR A 50 -1.031 -7.008 11.492 1.00 0.00 H new ATOM 0 HB THR A 50 -3.275 -7.543 12.171 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.948 -8.078 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.608 -5.860 10.957 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.969 -5.267 11.315 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.377 -5.817 9.673 1.00 0.00 H new ATOM 747 N GLU A 51 -0.729 -9.699 9.952 1.00 0.00 N ATOM 748 CA GLU A 51 -0.355 -11.107 10.010 1.00 0.00 C ATOM 749 C GLU A 51 1.162 -11.267 10.018 1.00 0.00 C ATOM 750 O GLU A 51 1.691 -12.259 10.520 1.00 0.00 O ATOM 751 CB GLU A 51 -0.952 -11.865 8.822 1.00 0.00 C ATOM 752 CG GLU A 51 -2.470 -11.824 8.775 1.00 0.00 C ATOM 753 CD GLU A 51 -3.068 -13.060 8.130 1.00 0.00 C ATOM 754 OE1 GLU A 51 -3.304 -14.050 8.854 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.299 -13.037 6.904 1.00 0.00 O ATOM 0 H GLU A 51 -0.534 -9.247 9.059 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.752 -11.524 10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.557 -11.444 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.626 -12.904 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.858 -11.724 9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.789 -10.940 8.222 1.00 0.00 H new ATOM 762 N CYS A 52 1.858 -10.283 9.458 1.00 0.00 N ATOM 763 CA CYS A 52 3.315 -10.313 9.399 1.00 0.00 C ATOM 764 C CYS A 52 3.922 -9.472 10.517 1.00 0.00 C ATOM 765 O CYS A 52 3.209 -8.968 11.386 1.00 0.00 O ATOM 766 CB CYS A 52 3.801 -9.804 8.041 1.00 0.00 C ATOM 767 SG CYS A 52 3.810 -11.070 6.731 1.00 0.00 S ATOM 0 H CYS A 52 1.436 -9.454 9.038 1.00 0.00 H new ATOM 0 HA CYS A 52 3.638 -11.346 9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.165 -8.976 7.727 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.810 -9.406 8.154 1.00 0.00 H new ATOM 0 HG CYS A 52 3.295 -10.574 5.645 1.00 0.00 H new ATOM 772 N ILE A 53 5.242 -9.324 10.489 1.00 0.00 N ATOM 773 CA ILE A 53 5.945 -8.542 11.499 1.00 0.00 C ATOM 774 C ILE A 53 6.631 -7.331 10.877 1.00 0.00 C ATOM 775 O ILE A 53 7.189 -7.415 9.784 1.00 0.00 O ATOM 776 CB ILE A 53 6.996 -9.392 12.237 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.348 -10.645 12.828 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.669 -8.572 13.327 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.285 -10.345 13.862 1.00 0.00 C ATOM 0 H ILE A 53 5.847 -9.735 9.778 1.00 0.00 H new ATOM 0 HA ILE A 53 5.196 -8.203 12.215 1.00 0.00 H new ATOM 0 HB ILE A 53 7.757 -9.704 11.522 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.905 -11.230 12.022 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.121 -11.264 13.283 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.409 -9.186 13.840 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.161 -7.708 12.881 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.920 -8.234 14.043 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.869 -11.280 14.238 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.727 -9.787 14.687 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.492 -9.752 13.407 1.00 0.00 H new ATOM 791 N GLU A 54 6.588 -6.206 11.584 1.00 0.00 N ATOM 792 CA GLU A 54 7.207 -4.977 11.101 1.00 0.00 C ATOM 793 C GLU A 54 7.002 -4.819 9.598 1.00 0.00 C ATOM 794 O GLU A 54 7.931 -4.474 8.866 1.00 0.00 O ATOM 795 CB GLU A 54 8.702 -4.971 11.427 1.00 0.00 C ATOM 796 CG GLU A 54 9.487 -6.053 10.703 1.00 0.00 C ATOM 797 CD GLU A 54 10.939 -6.107 11.135 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.600 -5.047 11.131 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.415 -7.210 11.476 1.00 0.00 O ATOM 0 H GLU A 54 6.132 -6.120 12.492 1.00 0.00 H new ATOM 0 HA GLU A 54 6.729 -4.137 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.118 -3.997 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.832 -5.097 12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.020 -7.021 10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.438 -5.875 9.629 1.00 0.00 H new ATOM 806 N TYR A 55 5.780 -5.073 9.143 1.00 0.00 N ATOM 807 CA TYR A 55 5.453 -4.963 7.727 1.00 0.00 C ATOM 808 C TYR A 55 4.486 -3.809 7.480 1.00 0.00 C ATOM 809 O TYR A 55 3.443 -3.707 8.127 1.00 0.00 O ATOM 810 CB TYR A 55 4.844 -6.271 7.219 1.00 0.00 C ATOM 811 CG TYR A 55 5.161 -6.563 5.770 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.381 -6.037 4.747 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.241 -7.366 5.423 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.667 -6.303 3.422 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.535 -7.636 4.100 1.00 0.00 C ATOM 816 CZ TYR A 55 5.745 -7.102 3.104 1.00 0.00 C ATOM 817 OH TYR A 55 6.034 -7.368 1.785 1.00 0.00 O ATOM 0 H TYR A 55 4.999 -5.357 9.735 1.00 0.00 H new ATOM 0 HA TYR A 55 6.375 -4.764 7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.207 -7.094 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.762 -6.231 7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.537 -5.410 4.992 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.861 -7.786 6.201 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.050 -5.887 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.378 -8.262 3.848 1.00 0.00 H new ATOM 0 HH TYR A 55 6.824 -7.945 1.733 1.00 0.00 H new ATOM 827 N HIS A 56 4.839 -2.941 6.537 1.00 0.00 N ATOM 828 CA HIS A 56 4.003 -1.793 6.202 1.00 0.00 C ATOM 829 C HIS A 56 4.162 -1.416 4.732 1.00 0.00 C ATOM 830 O HIS A 56 5.276 -1.376 4.208 1.00 0.00 O ATOM 831 CB HIS A 56 4.359 -0.600 7.088 1.00 0.00 C ATOM 832 CG HIS A 56 4.732 -0.982 8.487 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.903 -1.640 8.801 1.00 0.00 N ATOM 834 CD2 HIS A 56 4.082 -0.795 9.660 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.956 -1.842 10.106 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.863 -1.338 10.650 1.00 0.00 N ATOM 0 H HIS A 56 5.698 -3.011 5.991 1.00 0.00 H new ATOM 0 HA HIS A 56 2.963 -2.068 6.378 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.188 -0.057 6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.510 0.083 7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.127 -0.309 9.792 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.757 -2.335 10.637 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.636 -1.350 11.644 1.00 0.00 H new ATOM 844 N LEU A 57 3.042 -1.141 4.073 1.00 0.00 N ATOM 845 CA LEU A 57 3.057 -0.767 2.663 1.00 0.00 C ATOM 846 C LEU A 57 2.341 0.562 2.444 1.00 0.00 C ATOM 847 O LEU A 57 1.702 1.092 3.353 1.00 0.00 O ATOM 848 CB LEU A 57 2.397 -1.860 1.819 1.00 0.00 C ATOM 849 CG LEU A 57 3.234 -3.116 1.575 1.00 0.00 C ATOM 850 CD1 LEU A 57 2.449 -4.129 0.756 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.539 -2.761 0.878 1.00 0.00 C ATOM 0 H LEU A 57 2.112 -1.170 4.492 1.00 0.00 H new ATOM 0 HA LEU A 57 4.096 -0.654 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.468 -2.156 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.129 -1.433 0.853 1.00 0.00 H new ATOM 0 HG LEU A 57 3.471 -3.564 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.060 -5.016 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.542 -4.407 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.181 -3.690 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.121 -3.667 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.323 -2.289 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.109 -2.072 1.502 1.00 0.00 H new ATOM 863 N CYS A 58 2.451 1.094 1.232 1.00 0.00 N ATOM 864 CA CYS A 58 1.813 2.361 0.891 1.00 0.00 C ATOM 865 C CYS A 58 0.671 2.146 -0.097 1.00 0.00 C ATOM 866 O CYS A 58 0.761 1.305 -0.991 1.00 0.00 O ATOM 867 CB CYS A 58 2.839 3.330 0.300 1.00 0.00 C ATOM 868 SG CYS A 58 3.589 2.758 -1.259 1.00 0.00 S ATOM 0 H CYS A 58 2.976 0.668 0.469 1.00 0.00 H new ATOM 0 HA CYS A 58 1.403 2.790 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.357 4.292 0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.630 3.496 1.032 1.00 0.00 H new ATOM 0 HG CYS A 58 4.884 2.784 -1.153 1.00 0.00 H new ATOM 873 N GLN A 59 -0.402 2.913 0.070 1.00 0.00 N ATOM 874 CA GLN A 59 -1.561 2.807 -0.807 1.00 0.00 C ATOM 875 C GLN A 59 -1.135 2.484 -2.235 1.00 0.00 C ATOM 876 O GLN A 59 -1.792 1.708 -2.928 1.00 0.00 O ATOM 877 CB GLN A 59 -2.366 4.107 -0.783 1.00 0.00 C ATOM 878 CG GLN A 59 -3.470 4.158 -1.827 1.00 0.00 C ATOM 879 CD GLN A 59 -4.583 3.167 -1.549 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.526 3.465 -0.816 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.478 1.980 -2.135 1.00 0.00 N ATOM 0 H GLN A 59 -0.492 3.615 0.805 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.188 1.994 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.806 4.234 0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.689 4.947 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.886 5.165 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.045 3.955 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.679 1.776 -2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.197 1.272 -1.985 1.00 0.00 H new ATOM 890 N GLU A 60 -0.032 3.086 -2.669 1.00 0.00 N ATOM 891 CA GLU A 60 0.480 2.863 -4.016 1.00 0.00 C ATOM 892 C GLU A 60 0.783 1.385 -4.245 1.00 0.00 C ATOM 893 O GLU A 60 0.156 0.734 -5.082 1.00 0.00 O ATOM 894 CB GLU A 60 1.742 3.695 -4.250 1.00 0.00 C ATOM 895 CG GLU A 60 1.930 4.123 -5.696 1.00 0.00 C ATOM 896 CD GLU A 60 3.300 4.721 -5.954 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.257 3.946 -6.161 1.00 0.00 O ATOM 898 OE2 GLU A 60 3.413 5.965 -5.949 1.00 0.00 O ATOM 0 H GLU A 60 0.524 3.731 -2.108 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.288 3.173 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.704 4.583 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.611 3.118 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.785 3.261 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.164 4.853 -5.958 1.00 0.00 H new ATOM 905 N CYS A 61 1.748 0.861 -3.497 1.00 0.00 N ATOM 906 CA CYS A 61 2.135 -0.539 -3.617 1.00 0.00 C ATOM 907 C CYS A 61 0.924 -1.454 -3.462 1.00 0.00 C ATOM 908 O CYS A 61 0.751 -2.406 -4.223 1.00 0.00 O ATOM 909 CB CYS A 61 3.191 -0.889 -2.567 1.00 0.00 C ATOM 910 SG CYS A 61 4.882 -0.380 -3.014 1.00 0.00 S ATOM 0 H CYS A 61 2.277 1.386 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 61 2.556 -0.690 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.919 -0.418 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.179 -1.966 -2.401 1.00 0.00 H new ATOM 0 HG CYS A 61 5.523 -0.016 -1.943 1.00 0.00 H new ATOM 915 N PHE A 62 0.089 -1.159 -2.471 1.00 0.00 N ATOM 916 CA PHE A 62 -1.105 -1.955 -2.215 1.00 0.00 C ATOM 917 C PHE A 62 -1.884 -2.197 -3.505 1.00 0.00 C ATOM 918 O PHE A 62 -2.347 -3.308 -3.764 1.00 0.00 O ATOM 919 CB PHE A 62 -2.000 -1.255 -1.190 1.00 0.00 C ATOM 920 CG PHE A 62 -2.997 -2.171 -0.540 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.580 -3.166 0.329 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.352 -2.038 -0.800 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.495 -4.011 0.929 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.271 -2.879 -0.203 1.00 0.00 C ATOM 925 CZ PHE A 62 -4.842 -3.868 0.662 1.00 0.00 C ATOM 0 H PHE A 62 0.218 -0.374 -1.832 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.790 -2.919 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.374 -0.807 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.533 -0.441 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.527 -3.283 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.693 -1.268 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.157 -4.782 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.324 -2.764 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.559 -4.528 1.128 1.00 0.00 H new ATOM 935 N ASP A 63 -2.024 -1.150 -4.310 1.00 0.00 N ATOM 936 CA ASP A 63 -2.746 -1.248 -5.573 1.00 0.00 C ATOM 937 C ASP A 63 -2.177 -2.368 -6.439 1.00 0.00 C ATOM 938 O ASP A 63 -2.888 -2.961 -7.250 1.00 0.00 O ATOM 939 CB ASP A 63 -2.679 0.081 -6.328 1.00 0.00 C ATOM 940 CG ASP A 63 -3.074 -0.060 -7.785 1.00 0.00 C ATOM 941 OD1 ASP A 63 -2.182 -0.318 -8.619 1.00 0.00 O ATOM 942 OD2 ASP A 63 -4.276 0.090 -8.091 1.00 0.00 O ATOM 0 H ASP A 63 -1.647 -0.223 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.788 -1.479 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.337 0.804 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.667 0.480 -6.266 1.00 0.00 H new ATOM 947 N SER A 64 -0.890 -2.650 -6.262 1.00 0.00 N ATOM 948 CA SER A 64 -0.224 -3.695 -7.030 1.00 0.00 C ATOM 949 C SER A 64 -0.816 -5.065 -6.712 1.00 0.00 C ATOM 950 O SER A 64 -0.649 -6.018 -7.472 1.00 0.00 O ATOM 951 CB SER A 64 1.277 -3.695 -6.737 1.00 0.00 C ATOM 952 OG SER A 64 1.958 -4.624 -7.562 1.00 0.00 O ATOM 0 H SER A 64 -0.288 -2.169 -5.593 1.00 0.00 H new ATOM 0 HA SER A 64 -0.380 -3.488 -8.089 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.682 -2.696 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.446 -3.942 -5.689 1.00 0.00 H new ATOM 0 HG SER A 64 2.246 -5.390 -7.023 1.00 0.00 H new ATOM 958 N TYR A 65 -1.509 -5.154 -5.582 1.00 0.00 N ATOM 959 CA TYR A 65 -2.125 -6.406 -5.160 1.00 0.00 C ATOM 960 C TYR A 65 -1.074 -7.499 -4.988 1.00 0.00 C ATOM 961 O TYR A 65 -1.187 -8.581 -5.566 1.00 0.00 O ATOM 962 CB TYR A 65 -3.177 -6.850 -6.177 1.00 0.00 C ATOM 963 CG TYR A 65 -4.563 -6.321 -5.886 1.00 0.00 C ATOM 964 CD1 TYR A 65 -5.433 -7.015 -5.054 1.00 0.00 C ATOM 965 CD2 TYR A 65 -5.002 -5.125 -6.441 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.700 -6.535 -4.785 1.00 0.00 C ATOM 967 CE2 TYR A 65 -6.267 -4.637 -6.177 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.112 -5.346 -5.349 1.00 0.00 C ATOM 969 OH TYR A 65 -8.373 -4.864 -5.082 1.00 0.00 O ATOM 0 H TYR A 65 -1.658 -4.374 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.609 -6.237 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.872 -6.519 -7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.211 -7.939 -6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.113 -7.946 -4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.343 -4.567 -7.090 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.364 -7.088 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.592 -3.706 -6.616 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.506 -4.016 -5.555 1.00 0.00 H new ATOM 979 N CYS A 66 -0.053 -7.208 -4.191 1.00 0.00 N ATOM 980 CA CYS A 66 1.020 -8.165 -3.942 1.00 0.00 C ATOM 981 C CYS A 66 0.873 -8.801 -2.563 1.00 0.00 C ATOM 982 O CYS A 66 0.607 -9.997 -2.444 1.00 0.00 O ATOM 983 CB CYS A 66 2.381 -7.478 -4.058 1.00 0.00 C ATOM 984 SG CYS A 66 2.987 -7.320 -5.754 1.00 0.00 S ATOM 0 H CYS A 66 0.055 -6.317 -3.706 1.00 0.00 H new ATOM 0 HA CYS A 66 0.953 -8.952 -4.693 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.314 -6.485 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.110 -8.040 -3.474 1.00 0.00 H new ATOM 0 HG CYS A 66 4.143 -6.725 -5.748 1.00 0.00 H new ATOM 990 N HIS A 67 1.049 -7.992 -1.523 1.00 0.00 N ATOM 991 CA HIS A 67 0.936 -8.475 -0.151 1.00 0.00 C ATOM 992 C HIS A 67 -0.486 -8.298 0.373 1.00 0.00 C ATOM 993 O HIS A 67 -0.850 -8.853 1.410 1.00 0.00 O ATOM 994 CB HIS A 67 1.922 -7.736 0.755 1.00 0.00 C ATOM 995 CG HIS A 67 2.390 -8.551 1.921 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.723 -8.749 2.214 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.695 -9.219 2.871 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.827 -9.504 3.293 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.610 -9.803 3.711 1.00 0.00 N ATOM 0 H HIS A 67 1.270 -7.000 -1.604 1.00 0.00 H new ATOM 0 HA HIS A 67 1.176 -9.538 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.786 -7.431 0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.451 -6.825 1.125 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.506 -8.371 1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.620 -9.281 2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.750 -9.823 3.755 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.285 -7.522 -0.351 1.00 0.00 N ATOM 1008 CA LEU A 68 -2.667 -7.271 0.041 1.00 0.00 C ATOM 1009 C LEU A 68 -3.375 -8.572 0.405 1.00 0.00 C ATOM 1010 O LEU A 68 -4.421 -8.561 1.054 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.419 -6.567 -1.089 1.00 0.00 C ATOM 1012 CG LEU A 68 -3.850 -7.450 -2.261 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -2.660 -8.214 -2.820 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -4.948 -8.411 -1.828 1.00 0.00 C ATOM 0 H LEU A 68 -1.000 -7.056 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.658 -6.626 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.308 -6.096 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.787 -5.767 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.245 -6.809 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.986 -8.837 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.906 -7.508 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.234 -8.845 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.243 -9.032 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.579 -9.046 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.810 -7.844 -1.476 1.00 0.00 H new ATOM 1026 N SER A 69 -2.797 -9.692 -0.016 1.00 0.00 N ATOM 1027 CA SER A 69 -3.373 -11.002 0.263 1.00 0.00 C ATOM 1028 C SER A 69 -3.635 -11.173 1.757 1.00 0.00 C ATOM 1029 O SER A 69 -4.689 -11.664 2.162 1.00 0.00 O ATOM 1030 CB SER A 69 -2.440 -12.109 -0.232 1.00 0.00 C ATOM 1031 OG SER A 69 -2.174 -11.970 -1.617 1.00 0.00 O ATOM 0 H SER A 69 -1.930 -9.719 -0.552 1.00 0.00 H new ATOM 0 HA SER A 69 -4.323 -11.074 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.504 -12.077 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.892 -13.082 -0.041 1.00 0.00 H new ATOM 0 HG SER A 69 -1.574 -12.688 -1.909 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.668 -10.763 2.571 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.793 -10.870 4.021 1.00 0.00 C ATOM 1039 C HIS A 70 -3.731 -9.796 4.565 1.00 0.00 C ATOM 1040 O HIS A 70 -4.173 -8.912 3.831 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.420 -10.747 4.683 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.720 -12.060 4.857 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.580 -12.166 5.304 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -1.148 -13.326 4.643 1.00 0.00 C ATOM 1045 CE1 HIS A 70 0.922 -13.441 5.356 1.00 0.00 C ATOM 1046 NE2 HIS A 70 -0.108 -14.166 4.960 1.00 0.00 N ATOM 0 H HIS A 70 -1.790 -10.354 2.252 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.214 -11.848 4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.794 -10.087 4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.537 -10.275 5.658 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.183 -11.383 5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.125 -13.621 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.881 -13.825 5.669 1.00 0.00 H new ATOM 1054 N THR A 71 -4.032 -9.881 5.857 1.00 0.00 N ATOM 1055 CA THR A 71 -4.919 -8.919 6.500 1.00 0.00 C ATOM 1056 C THR A 71 -4.202 -7.598 6.759 1.00 0.00 C ATOM 1057 O THR A 71 -3.427 -7.477 7.708 1.00 0.00 O ATOM 1058 CB THR A 71 -5.467 -9.463 7.833 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.910 -10.814 7.665 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.618 -8.604 8.335 1.00 0.00 C ATOM 0 H THR A 71 -3.675 -10.606 6.479 1.00 0.00 H new ATOM 0 HA THR A 71 -5.751 -8.750 5.816 1.00 0.00 H new ATOM 0 HB THR A 71 -4.665 -9.434 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.255 -11.153 8.517 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.989 -9.007 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.269 -7.583 8.489 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.421 -8.606 7.598 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.467 -6.611 5.910 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.846 -5.298 6.048 1.00 0.00 C ATOM 1070 C PHE A 72 -4.839 -4.283 6.605 1.00 0.00 C ATOM 1071 O PHE A 72 -6.050 -4.511 6.597 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.314 -4.818 4.696 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.956 -5.362 4.359 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.658 -6.699 4.571 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.976 -4.537 3.830 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.408 -7.203 4.261 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.275 -5.036 3.518 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.559 -6.370 3.735 1.00 0.00 C ATOM 0 H PHE A 72 -5.107 -6.695 5.120 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.015 -5.388 6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.017 -5.107 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.270 -3.729 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.411 -7.355 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.192 -3.493 3.660 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.189 -8.247 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.030 -4.383 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.536 -6.761 3.493 1.00 0.00 H new ATOM 1088 N THR A 73 -4.319 -3.160 7.091 1.00 0.00 N ATOM 1089 CA THR A 73 -5.158 -2.110 7.655 1.00 0.00 C ATOM 1090 C THR A 73 -4.584 -0.729 7.358 1.00 0.00 C ATOM 1091 O THR A 73 -3.368 -0.535 7.373 1.00 0.00 O ATOM 1092 CB THR A 73 -5.313 -2.272 9.179 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.024 -2.352 9.797 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.118 -3.520 9.511 1.00 0.00 C ATOM 0 H THR A 73 -3.320 -2.954 7.105 1.00 0.00 H new ATOM 0 HA THR A 73 -6.138 -2.202 7.186 1.00 0.00 H new ATOM 0 HB THR A 73 -5.846 -1.402 9.562 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.617 -1.461 9.822 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.214 -3.614 10.593 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.109 -3.443 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.608 -4.398 9.115 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.466 0.228 7.089 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.047 1.592 6.789 1.00 0.00 C ATOM 1104 C PHE A 74 -5.375 2.529 7.947 1.00 0.00 C ATOM 1105 O PHE A 74 -6.282 2.263 8.737 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.725 2.086 5.509 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.184 2.396 5.686 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -7.591 3.634 6.156 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -8.149 1.450 5.380 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -8.933 3.922 6.320 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -9.492 1.732 5.541 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.885 2.970 6.011 1.00 0.00 C ATOM 0 H PHE A 74 -6.476 0.084 7.073 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.967 1.590 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.212 2.981 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.614 1.329 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.851 4.383 6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.848 0.481 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.237 4.890 6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.234 0.985 5.300 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.934 3.193 6.137 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.632 3.627 8.041 1.00 0.00 N ATOM 1123 CA ARG A 75 -4.842 4.603 9.103 1.00 0.00 C ATOM 1124 C ARG A 75 -5.438 5.893 8.545 1.00 0.00 C ATOM 1125 O ARG A 75 -5.536 6.068 7.331 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.523 4.905 9.816 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.183 3.909 10.913 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.926 4.224 12.202 1.00 0.00 C ATOM 1129 NE ARG A 75 -3.384 5.403 12.872 1.00 0.00 N ATOM 1130 CZ ARG A 75 -2.341 5.367 13.695 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.732 4.216 13.947 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -1.907 6.482 14.267 1.00 0.00 N ATOM 0 H ARG A 75 -3.879 3.863 7.394 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.545 4.178 9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.717 4.914 9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.573 5.905 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.437 2.902 10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.109 3.923 11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.981 4.385 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.868 3.367 12.873 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.830 6.304 12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.064 3.357 13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.932 4.190 14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.374 7.368 14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.106 6.453 14.898 1.00 0.00 H new ATOM 1146 N GLU A 76 -5.834 6.792 9.441 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.420 8.064 9.038 1.00 0.00 C ATOM 1148 C GLU A 76 -5.814 9.219 9.831 1.00 0.00 C ATOM 1149 O GLU A 76 -5.124 9.007 10.828 1.00 0.00 O ATOM 1150 CB GLU A 76 -7.938 8.037 9.235 1.00 0.00 C ATOM 1151 CG GLU A 76 -8.588 6.743 8.776 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.065 6.681 9.110 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -10.398 6.555 10.307 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -10.889 6.760 8.175 1.00 0.00 O ATOM 0 H GLU A 76 -5.759 6.662 10.450 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.200 8.217 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.162 8.192 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.382 8.870 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.458 6.638 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.078 5.900 9.242 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.077 10.441 9.380 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.559 11.630 10.045 1.00 0.00 C ATOM 1163 C LYS A 77 -5.814 11.567 11.548 1.00 0.00 C ATOM 1164 O LYS A 77 -6.627 10.770 12.016 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.204 12.888 9.460 1.00 0.00 C ATOM 1166 CG LYS A 77 -7.720 12.897 9.558 1.00 0.00 C ATOM 1167 CD LYS A 77 -8.198 13.736 10.731 1.00 0.00 C ATOM 1168 CE LYS A 77 -9.563 13.279 11.223 1.00 0.00 C ATOM 1169 NZ LYS A 77 -10.667 13.848 10.402 1.00 0.00 N ATOM 0 H LYS A 77 -6.646 10.634 8.556 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.483 11.670 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.810 13.762 9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.916 12.981 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.143 13.289 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.084 11.876 9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.476 13.670 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.249 14.783 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.613 12.191 11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.693 13.578 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.581 13.513 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.635 14.886 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.558 13.542 9.414 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.116 12.413 12.298 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.268 12.453 13.747 1.00 0.00 C ATOM 1185 C ARG A 78 -6.728 12.261 14.147 1.00 0.00 C ATOM 1186 O ARG A 78 -7.634 12.460 13.339 1.00 0.00 O ATOM 1187 CB ARG A 78 -4.748 13.782 14.299 1.00 0.00 C ATOM 1188 CG ARG A 78 -3.231 13.877 14.329 1.00 0.00 C ATOM 1189 CD ARG A 78 -2.648 13.925 12.925 1.00 0.00 C ATOM 1190 NE ARG A 78 -1.334 14.562 12.900 1.00 0.00 N ATOM 1191 CZ ARG A 78 -0.544 14.574 11.832 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -0.933 13.987 10.708 1.00 0.00 N ATOM 1193 NH2 ARG A 78 0.638 15.174 11.886 1.00 0.00 N ATOM 0 H ARG A 78 -4.440 13.080 11.926 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.683 11.637 14.171 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.143 14.597 13.692 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.132 13.921 15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.932 14.769 14.879 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.822 13.020 14.865 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.567 12.912 12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.327 14.469 12.269 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.005 15.023 13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.841 13.525 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.324 13.998 9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.941 15.627 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.244 15.182 11.065 1.00 0.00 H new ATOM 1207 N ASN A 79 -6.947 11.873 15.399 1.00 0.00 N ATOM 1208 CA ASN A 79 -8.297 11.652 15.905 1.00 0.00 C ATOM 1209 C ASN A 79 -8.985 10.523 15.145 1.00 0.00 C ATOM 1210 O ASN A 79 -10.182 10.590 14.864 1.00 0.00 O ATOM 1211 CB ASN A 79 -9.122 12.936 15.792 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.445 14.119 16.457 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -7.306 14.457 16.136 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -9.146 14.754 17.389 1.00 0.00 N ATOM 0 H ASN A 79 -6.208 11.705 16.081 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.223 11.366 16.954 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.293 13.163 14.740 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.100 12.778 16.247 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.743 15.557 17.871 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.087 14.438 17.623 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.221 9.486 14.816 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.758 8.343 14.088 1.00 0.00 C ATOM 1223 C GLN A 80 -8.105 7.046 14.555 1.00 0.00 C ATOM 1224 O GLN A 80 -7.296 7.044 15.482 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.545 8.522 12.584 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.116 9.822 12.040 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.631 9.862 12.093 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.240 9.431 13.072 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.247 10.380 11.037 1.00 0.00 N ATOM 0 H GLN A 80 -7.229 9.414 15.042 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.827 8.285 14.291 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.477 8.486 12.370 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.004 7.685 12.058 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.714 10.658 12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.789 9.955 11.009 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.702 10.725 10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.265 10.432 11.016 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.463 5.942 13.906 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.913 4.638 14.253 1.00 0.00 C ATOM 1240 C LYS A 81 -7.862 3.726 13.031 1.00 0.00 C ATOM 1241 O LYS A 81 -8.569 3.950 12.049 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.749 3.984 15.355 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.626 4.675 16.703 1.00 0.00 C ATOM 1244 CD LYS A 81 -7.310 4.337 17.384 1.00 0.00 C ATOM 1245 CE LYS A 81 -7.337 2.940 17.986 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.972 2.353 18.086 1.00 0.00 N ATOM 0 H LYS A 81 -9.132 5.926 13.136 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.896 4.787 14.617 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.796 3.981 15.052 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.445 2.943 15.461 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.700 5.754 16.568 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.456 4.376 17.343 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.497 4.408 16.662 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.106 5.068 18.167 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.789 2.980 18.977 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.967 2.293 17.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.033 1.401 18.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.550 2.291 17.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.378 2.956 18.690 1.00 0.00 H new ATOM 1260 N TRP A 82 -7.023 2.699 13.100 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.882 1.753 11.999 1.00 0.00 C ATOM 1262 C TRP A 82 -8.247 1.342 11.455 1.00 0.00 C ATOM 1263 O TRP A 82 -9.280 1.662 12.043 1.00 0.00 O ATOM 1264 CB TRP A 82 -6.110 0.515 12.458 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.674 0.798 12.782 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.155 1.102 14.008 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.574 0.805 11.866 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.798 1.298 13.909 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.417 1.120 12.606 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.453 0.573 10.493 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.159 1.211 12.017 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -2.203 0.664 9.910 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -1.069 0.979 10.671 1.00 0.00 C ATOM 0 H TRP A 82 -6.430 2.500 13.906 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.326 2.245 11.201 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.598 0.097 13.338 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.156 -0.244 11.677 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.727 1.177 14.921 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.176 1.537 14.681 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.320 0.327 9.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.285 1.456 12.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.098 0.489 8.849 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.106 1.040 10.186 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.243 0.633 10.331 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.481 0.181 9.709 1.00 0.00 C ATOM 1286 C ARG A 83 -9.256 -1.111 8.929 1.00 0.00 C ATOM 1287 O ARG A 83 -8.304 -1.225 8.157 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.034 1.262 8.778 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.317 2.581 9.478 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.184 3.491 8.622 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.039 4.354 9.432 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.221 3.979 9.907 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.687 2.764 9.654 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -13.941 4.821 10.637 1.00 0.00 N ATOM 0 H ARG A 83 -7.396 0.359 9.833 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.206 -0.013 10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.322 1.434 7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.954 0.899 8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.815 2.390 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.376 3.082 9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.547 4.106 7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.803 2.885 7.961 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.711 5.296 9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.137 2.114 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.595 2.480 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.587 5.757 10.834 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.849 4.532 11.002 1.00 0.00 H new ATOM 1308 N SER A 84 -10.139 -2.083 9.136 1.00 0.00 N ATOM 1309 CA SER A 84 -10.035 -3.369 8.456 1.00 0.00 C ATOM 1310 C SER A 84 -10.443 -3.243 6.991 1.00 0.00 C ATOM 1311 O SER A 84 -11.561 -2.830 6.679 1.00 0.00 O ATOM 1312 CB SER A 84 -10.912 -4.411 9.153 1.00 0.00 C ATOM 1313 OG SER A 84 -12.273 -4.019 9.147 1.00 0.00 O ATOM 0 H SER A 84 -10.935 -2.004 9.769 1.00 0.00 H new ATOM 0 HA SER A 84 -8.995 -3.692 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.806 -5.374 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.574 -4.547 10.180 1.00 0.00 H new ATOM 0 HG SER A 84 -12.443 -3.438 8.376 1.00 0.00 H new