USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 308 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 Single : A 42 LYS NZ :NH3+ 174:sc= 0.144 (180deg=0.11) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.2!) USER MOD Single : A 50 THR OG1 : rot -81:sc= 0.629! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.9) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 CYS SG : rot 111:sc= -0.0567 USER MOD Single : A 62 HIS : no HD1:sc= -0.771 K(o=-0.77,f=-0.16) USER MOD Single : A 64 CYS SG : rot -60:sc= -6.21! USER MOD Single : A 65 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.8!) USER MOD Single : A 69 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.22) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.016 -10.609 9.749 1.00 0.00 N ATOM 528 CA ALA A 37 -5.185 -9.901 11.007 1.00 0.00 C ATOM 529 C ALA A 37 -3.960 -9.020 11.260 1.00 0.00 C ATOM 530 O ALA A 37 -4.082 -7.921 11.798 1.00 0.00 O ATOM 531 CB ALA A 37 -5.421 -10.910 12.133 1.00 0.00 C ATOM 0 HA ALA A 37 -6.057 -9.248 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.548 -10.379 13.077 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.319 -11.490 11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.565 -11.580 12.206 1.00 0.00 H new ATOM 537 N ASP A 38 -2.807 -9.537 10.861 1.00 0.00 N ATOM 538 CA ASP A 38 -1.561 -8.811 11.038 1.00 0.00 C ATOM 539 C ASP A 38 -1.732 -7.379 10.526 1.00 0.00 C ATOM 540 O ASP A 38 -1.587 -6.423 11.285 1.00 0.00 O ATOM 541 CB ASP A 38 -0.426 -9.464 10.247 1.00 0.00 C ATOM 542 CG ASP A 38 -0.172 -10.936 10.576 1.00 0.00 C ATOM 543 OD1 ASP A 38 0.449 -11.183 11.632 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.605 -11.782 9.764 1.00 0.00 O ATOM 0 H ASP A 38 -2.710 -10.450 10.416 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.313 -8.821 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.648 -9.378 9.183 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.491 -8.904 10.427 1.00 0.00 H new ATOM 549 N PHE A 39 -2.038 -7.278 9.241 1.00 0.00 N ATOM 550 CA PHE A 39 -2.231 -5.979 8.618 1.00 0.00 C ATOM 551 C PHE A 39 -3.239 -5.138 9.403 1.00 0.00 C ATOM 552 O PHE A 39 -3.039 -3.940 9.594 1.00 0.00 O ATOM 553 CB PHE A 39 -2.782 -6.234 7.213 1.00 0.00 C ATOM 554 CG PHE A 39 -3.099 -4.960 6.429 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.105 -4.085 6.120 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.377 -4.701 6.040 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.400 -2.902 5.392 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.672 -3.519 5.311 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.677 -2.644 5.003 1.00 0.00 C ATOM 0 H PHE A 39 -2.157 -8.074 8.614 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.287 -5.435 8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.057 -6.823 6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.688 -6.834 7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.090 -4.290 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.167 -5.395 6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.610 -2.207 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.686 -3.315 5.001 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.901 -1.744 4.449 1.00 0.00 H new ATOM 569 N GLU A 40 -4.302 -5.800 9.838 1.00 0.00 N ATOM 570 CA GLU A 40 -5.342 -5.128 10.599 1.00 0.00 C ATOM 571 C GLU A 40 -4.743 -4.449 11.832 1.00 0.00 C ATOM 572 O GLU A 40 -4.894 -3.242 12.015 1.00 0.00 O ATOM 573 CB GLU A 40 -6.450 -6.107 10.995 1.00 0.00 C ATOM 574 CG GLU A 40 -7.511 -6.207 9.898 1.00 0.00 C ATOM 575 CD GLU A 40 -8.759 -6.932 10.406 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.546 -6.274 11.121 1.00 0.00 O ATOM 577 OE2 GLU A 40 -8.898 -8.127 10.068 1.00 0.00 O ATOM 0 H GLU A 40 -4.465 -6.794 9.678 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.789 -4.360 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.021 -7.091 11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.914 -5.780 11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.781 -5.208 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.102 -6.739 9.039 1.00 0.00 H new ATOM 584 N GLU A 41 -4.077 -5.254 12.647 1.00 0.00 N ATOM 585 CA GLU A 41 -3.455 -4.746 13.857 1.00 0.00 C ATOM 586 C GLU A 41 -2.553 -3.554 13.531 1.00 0.00 C ATOM 587 O GLU A 41 -2.525 -2.572 14.270 1.00 0.00 O ATOM 588 CB GLU A 41 -2.671 -5.847 14.575 1.00 0.00 C ATOM 589 CG GLU A 41 -3.395 -6.297 15.845 1.00 0.00 C ATOM 590 CD GLU A 41 -2.817 -5.604 17.081 1.00 0.00 C ATOM 591 OE1 GLU A 41 -3.328 -4.513 17.411 1.00 0.00 O ATOM 592 OE2 GLU A 41 -1.876 -6.183 17.667 1.00 0.00 O ATOM 0 H GLU A 41 -3.955 -6.255 12.493 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.242 -4.407 14.531 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.538 -6.698 13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.676 -5.483 14.829 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.458 -6.071 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.306 -7.378 15.955 1.00 0.00 H new ATOM 599 N LYS A 42 -1.838 -3.681 12.423 1.00 0.00 N ATOM 600 CA LYS A 42 -0.937 -2.626 11.989 1.00 0.00 C ATOM 601 C LYS A 42 -1.737 -1.345 11.747 1.00 0.00 C ATOM 602 O LYS A 42 -1.424 -0.298 12.311 1.00 0.00 O ATOM 603 CB LYS A 42 -0.124 -3.082 10.776 1.00 0.00 C ATOM 604 CG LYS A 42 0.976 -4.062 11.189 1.00 0.00 C ATOM 605 CD LYS A 42 2.038 -4.189 10.095 1.00 0.00 C ATOM 606 CE LYS A 42 3.148 -5.154 10.517 1.00 0.00 C ATOM 607 NZ LYS A 42 4.477 -4.543 10.294 1.00 0.00 N ATOM 0 H LYS A 42 -1.864 -4.498 11.813 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.207 -2.404 12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.784 -3.556 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.321 -2.216 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.441 -3.723 12.114 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.539 -5.040 11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.575 -4.542 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.465 -3.209 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.032 -5.413 11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.067 -6.081 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.215 -5.167 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.632 -4.411 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.520 -3.621 10.773 1.00 0.00 H new ATOM 621 N VAL A 43 -2.755 -1.471 10.908 1.00 0.00 N ATOM 622 CA VAL A 43 -3.603 -0.336 10.584 1.00 0.00 C ATOM 623 C VAL A 43 -3.946 0.421 11.868 1.00 0.00 C ATOM 624 O VAL A 43 -3.717 1.626 11.963 1.00 0.00 O ATOM 625 CB VAL A 43 -4.841 -0.809 9.819 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.893 0.299 9.741 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.465 -1.309 8.423 1.00 0.00 C ATOM 0 H VAL A 43 -3.012 -2.342 10.443 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.078 0.358 9.928 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.275 -1.645 10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.763 -0.063 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.194 0.587 10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.473 1.164 9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.363 -1.639 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.995 -0.501 7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.769 -2.143 8.511 1.00 0.00 H new ATOM 637 N LYS A 44 -4.490 -0.317 12.825 1.00 0.00 N ATOM 638 CA LYS A 44 -4.868 0.270 14.099 1.00 0.00 C ATOM 639 C LYS A 44 -3.659 0.989 14.703 1.00 0.00 C ATOM 640 O LYS A 44 -3.771 2.128 15.153 1.00 0.00 O ATOM 641 CB LYS A 44 -5.474 -0.792 15.019 1.00 0.00 C ATOM 642 CG LYS A 44 -6.977 -0.936 14.774 1.00 0.00 C ATOM 643 CD LYS A 44 -7.615 -1.865 15.809 1.00 0.00 C ATOM 644 CE LYS A 44 -9.093 -2.105 15.494 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.898 -2.082 16.736 1.00 0.00 N ATOM 0 H LYS A 44 -4.678 -1.316 12.743 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.647 1.019 13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.981 -1.749 14.850 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.296 -0.521 16.060 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.452 0.044 14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.150 -1.329 13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.084 -2.817 15.825 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.518 -1.429 16.803 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.453 -1.340 14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.213 -3.066 14.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.898 -2.246 16.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.565 -2.828 17.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.797 -1.156 17.198 1.00 0.00 H new ATOM 659 N GLN A 45 -2.531 0.293 14.693 1.00 0.00 N ATOM 660 CA GLN A 45 -1.304 0.851 15.234 1.00 0.00 C ATOM 661 C GLN A 45 -1.027 2.223 14.616 1.00 0.00 C ATOM 662 O GLN A 45 -0.579 3.139 15.304 1.00 0.00 O ATOM 663 CB GLN A 45 -0.125 -0.099 15.011 1.00 0.00 C ATOM 664 CG GLN A 45 0.271 -0.797 16.313 1.00 0.00 C ATOM 665 CD GLN A 45 1.242 0.065 17.124 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.451 -0.018 16.984 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.646 0.894 17.976 1.00 0.00 N ATOM 0 H GLN A 45 -2.442 -0.652 14.319 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.428 0.977 16.310 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.391 -0.844 14.261 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.726 0.458 14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.621 -1.002 16.905 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.733 -1.758 16.089 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.372 0.912 18.042 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.207 1.512 18.563 1.00 0.00 H new ATOM 676 N LEU A 46 -1.305 2.322 13.324 1.00 0.00 N ATOM 677 CA LEU A 46 -1.091 3.567 12.606 1.00 0.00 C ATOM 678 C LEU A 46 -2.022 4.642 13.170 1.00 0.00 C ATOM 679 O LEU A 46 -1.598 5.772 13.408 1.00 0.00 O ATOM 680 CB LEU A 46 -1.245 3.349 11.099 1.00 0.00 C ATOM 681 CG LEU A 46 0.024 2.944 10.347 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.268 2.713 8.863 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.139 3.970 10.559 1.00 0.00 C ATOM 0 H LEU A 46 -1.676 1.560 12.756 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.070 3.920 12.751 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.000 2.579 10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.628 4.268 10.656 1.00 0.00 H new ATOM 0 HG LEU A 46 0.376 1.997 10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.651 2.426 8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.006 1.918 8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.658 3.630 8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.029 3.658 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.812 4.943 10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.371 4.041 11.622 1.00 0.00 H new ATOM 695 N ILE A 47 -3.273 4.253 13.367 1.00 0.00 N ATOM 696 CA ILE A 47 -4.267 5.170 13.899 1.00 0.00 C ATOM 697 C ILE A 47 -3.883 5.558 15.328 1.00 0.00 C ATOM 698 O ILE A 47 -4.005 6.719 15.714 1.00 0.00 O ATOM 699 CB ILE A 47 -5.668 4.568 13.780 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.216 4.732 12.360 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.611 5.161 14.829 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.455 3.859 12.147 1.00 0.00 C ATOM 0 H ILE A 47 -3.621 3.315 13.168 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.290 6.090 13.314 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.598 3.498 13.978 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.468 5.777 12.182 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.447 4.462 11.636 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.600 4.716 14.722 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.224 4.951 15.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.681 6.239 14.687 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.825 3.994 11.131 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.194 2.812 12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.230 4.148 12.856 1.00 0.00 H new ATOM 714 N ASP A 48 -3.428 4.563 16.075 1.00 0.00 N ATOM 715 CA ASP A 48 -3.026 4.785 17.454 1.00 0.00 C ATOM 716 C ASP A 48 -1.726 5.592 17.478 1.00 0.00 C ATOM 717 O ASP A 48 -1.528 6.431 18.355 1.00 0.00 O ATOM 718 CB ASP A 48 -2.774 3.460 18.175 1.00 0.00 C ATOM 719 CG ASP A 48 -3.814 3.092 19.235 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.865 3.768 19.257 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.535 2.142 19.998 1.00 0.00 O ATOM 0 H ASP A 48 -3.329 3.601 15.752 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.830 5.321 17.957 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.735 2.662 17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.793 3.503 18.649 1.00 0.00 H new ATOM 726 N ILE A 49 -0.874 5.309 16.503 1.00 0.00 N ATOM 727 CA ILE A 49 0.402 5.997 16.402 1.00 0.00 C ATOM 728 C ILE A 49 0.173 7.409 15.858 1.00 0.00 C ATOM 729 O ILE A 49 0.326 8.390 16.585 1.00 0.00 O ATOM 730 CB ILE A 49 1.391 5.173 15.575 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.777 3.885 16.305 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.617 6.007 15.196 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.257 2.818 15.319 1.00 0.00 C ATOM 0 H ILE A 49 -1.042 4.613 15.777 1.00 0.00 H new ATOM 0 HA ILE A 49 0.856 6.103 17.387 1.00 0.00 H new ATOM 0 HB ILE A 49 0.900 4.882 14.646 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.563 4.095 17.030 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.920 3.509 16.864 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.304 5.398 14.609 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.303 6.869 14.608 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.119 6.349 16.101 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.525 1.913 15.864 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.460 2.592 14.611 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.129 3.188 14.779 1.00 0.00 H new ATOM 745 N THR A 50 -0.191 7.467 14.586 1.00 0.00 N ATOM 746 CA THR A 50 -0.442 8.743 13.937 1.00 0.00 C ATOM 747 C THR A 50 -1.842 9.252 14.287 1.00 0.00 C ATOM 748 O THR A 50 -1.987 10.190 15.070 1.00 0.00 O ATOM 749 CB THR A 50 -0.221 8.560 12.434 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.289 7.710 12.026 1.00 0.00 O ATOM 751 CG2 THR A 50 1.040 7.752 12.122 1.00 0.00 C ATOM 0 H THR A 50 -0.318 6.651 13.987 1.00 0.00 H new ATOM 0 HA THR A 50 0.247 9.510 14.291 1.00 0.00 H new ATOM 0 HB THR A 50 -0.153 9.537 11.956 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.062 6.779 12.230 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.150 7.652 11.042 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.911 8.265 12.529 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.959 6.763 12.572 1.00 0.00 H new ATOM 759 N GLY A 51 -2.837 8.611 13.691 1.00 0.00 N ATOM 760 CA GLY A 51 -4.219 8.988 13.930 1.00 0.00 C ATOM 761 C GLY A 51 -4.842 9.612 12.679 1.00 0.00 C ATOM 762 O GLY A 51 -5.764 10.420 12.777 1.00 0.00 O ATOM 0 H GLY A 51 -2.713 7.833 13.043 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.793 8.110 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.269 9.696 14.757 1.00 0.00 H new ATOM 766 N LYS A 52 -4.313 9.213 11.532 1.00 0.00 N ATOM 767 CA LYS A 52 -4.805 9.722 10.263 1.00 0.00 C ATOM 768 C LYS A 52 -6.023 8.905 9.828 1.00 0.00 C ATOM 769 O LYS A 52 -6.386 7.929 10.483 1.00 0.00 O ATOM 770 CB LYS A 52 -3.682 9.751 9.225 1.00 0.00 C ATOM 771 CG LYS A 52 -2.444 10.462 9.776 1.00 0.00 C ATOM 772 CD LYS A 52 -2.576 11.980 9.637 1.00 0.00 C ATOM 773 CE LYS A 52 -1.212 12.629 9.396 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.364 13.888 8.633 1.00 0.00 N ATOM 0 H LYS A 52 -3.548 8.543 11.455 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.135 10.755 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.422 8.732 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.027 10.259 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.307 10.200 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.557 10.120 9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.246 12.216 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.025 12.394 10.540 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.726 12.832 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.567 11.941 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.429 14.315 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.808 13.686 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.962 14.549 9.169 1.00 0.00 H new ATOM 788 N ASN A 53 -6.621 9.334 8.727 1.00 0.00 N ATOM 789 CA ASN A 53 -7.791 8.654 8.197 1.00 0.00 C ATOM 790 C ASN A 53 -7.470 7.170 8.005 1.00 0.00 C ATOM 791 O ASN A 53 -6.569 6.819 7.245 1.00 0.00 O ATOM 792 CB ASN A 53 -8.194 9.230 6.838 1.00 0.00 C ATOM 793 CG ASN A 53 -8.552 10.713 6.954 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.492 11.311 8.016 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.926 11.271 5.807 1.00 0.00 N ATOM 0 H ASN A 53 -6.318 10.144 8.187 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.609 8.791 8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.376 9.104 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.046 8.677 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.185 12.257 5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.954 10.713 4.954 1.00 0.00 H new ATOM 802 N GLN A 54 -8.225 6.339 8.709 1.00 0.00 N ATOM 803 CA GLN A 54 -8.032 4.901 8.626 1.00 0.00 C ATOM 804 C GLN A 54 -7.716 4.490 7.187 1.00 0.00 C ATOM 805 O GLN A 54 -6.652 3.937 6.915 1.00 0.00 O ATOM 806 CB GLN A 54 -9.258 4.153 9.153 1.00 0.00 C ATOM 807 CG GLN A 54 -8.970 2.656 9.288 1.00 0.00 C ATOM 808 CD GLN A 54 -10.244 1.881 9.629 1.00 0.00 C ATOM 809 OE1 GLN A 54 -11.112 2.347 10.349 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.309 0.675 9.072 1.00 0.00 N ATOM 0 H GLN A 54 -8.971 6.634 9.339 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.184 4.631 9.255 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.548 4.560 10.122 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.100 4.306 8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.548 2.278 8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.223 2.494 10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.547 0.345 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.121 0.080 9.238 1.00 0.00 H new ATOM 819 N ASP A 55 -8.660 4.777 6.302 1.00 0.00 N ATOM 820 CA ASP A 55 -8.495 4.444 4.897 1.00 0.00 C ATOM 821 C ASP A 55 -7.083 4.824 4.450 1.00 0.00 C ATOM 822 O ASP A 55 -6.374 4.009 3.861 1.00 0.00 O ATOM 823 CB ASP A 55 -9.490 5.215 4.028 1.00 0.00 C ATOM 824 CG ASP A 55 -10.948 4.773 4.165 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.487 4.931 5.282 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.491 4.286 3.150 1.00 0.00 O ATOM 0 H ASP A 55 -9.542 5.236 6.531 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.669 3.374 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.422 6.274 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.192 5.114 2.984 1.00 0.00 H new ATOM 831 N GLU A 56 -6.715 6.062 4.746 1.00 0.00 N ATOM 832 CA GLU A 56 -5.400 6.559 4.382 1.00 0.00 C ATOM 833 C GLU A 56 -4.310 5.701 5.027 1.00 0.00 C ATOM 834 O GLU A 56 -3.345 5.318 4.367 1.00 0.00 O ATOM 835 CB GLU A 56 -5.242 8.030 4.773 1.00 0.00 C ATOM 836 CG GLU A 56 -6.102 8.929 3.883 1.00 0.00 C ATOM 837 CD GLU A 56 -5.300 9.446 2.687 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.479 8.657 2.171 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.526 10.618 2.316 1.00 0.00 O ATOM 0 H GLU A 56 -7.305 6.736 5.234 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.295 6.491 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.527 8.165 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.195 8.322 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.971 8.373 3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.477 9.771 4.465 1.00 0.00 H new ATOM 846 N CYS A 57 -4.500 5.424 6.308 1.00 0.00 N ATOM 847 CA CYS A 57 -3.546 4.617 7.050 1.00 0.00 C ATOM 848 C CYS A 57 -3.371 3.285 6.318 1.00 0.00 C ATOM 849 O CYS A 57 -2.249 2.877 6.022 1.00 0.00 O ATOM 850 CB CYS A 57 -3.981 4.418 8.503 1.00 0.00 C ATOM 851 SG CYS A 57 -3.924 6.013 9.398 1.00 0.00 S ATOM 0 H CYS A 57 -5.301 5.744 6.852 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.587 5.134 7.095 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.991 4.009 8.536 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.328 3.694 8.991 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.135 6.403 9.668 1.00 0.00 H new ATOM 857 N VAL A 58 -4.498 2.644 6.047 1.00 0.00 N ATOM 858 CA VAL A 58 -4.485 1.366 5.355 1.00 0.00 C ATOM 859 C VAL A 58 -3.793 1.531 4.000 1.00 0.00 C ATOM 860 O VAL A 58 -3.110 0.622 3.533 1.00 0.00 O ATOM 861 CB VAL A 58 -5.909 0.819 5.237 1.00 0.00 C ATOM 862 CG1 VAL A 58 -5.938 -0.455 4.390 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.518 0.574 6.618 1.00 0.00 C ATOM 0 H VAL A 58 -5.427 2.986 6.294 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.916 0.630 5.923 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.516 1.570 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.962 -0.823 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.564 -0.236 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.309 -1.215 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.530 0.185 6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.910 -0.150 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.549 1.511 7.174 1.00 0.00 H new ATOM 873 N ILE A 59 -3.995 2.699 3.408 1.00 0.00 N ATOM 874 CA ILE A 59 -3.400 2.996 2.116 1.00 0.00 C ATOM 875 C ILE A 59 -1.879 3.068 2.265 1.00 0.00 C ATOM 876 O ILE A 59 -1.151 2.324 1.609 1.00 0.00 O ATOM 877 CB ILE A 59 -4.020 4.260 1.518 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.461 4.005 1.071 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.156 4.810 0.381 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.238 5.318 0.951 1.00 0.00 C ATOM 0 H ILE A 59 -4.562 3.451 3.799 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.614 2.198 1.405 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.054 5.024 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.462 3.489 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.957 3.349 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.620 5.708 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.165 5.054 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.067 4.059 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.259 5.109 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.256 5.820 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.753 5.962 0.217 1.00 0.00 H new ATOM 892 N ALA A 60 -1.443 3.971 3.131 1.00 0.00 N ATOM 893 CA ALA A 60 -0.022 4.151 3.374 1.00 0.00 C ATOM 894 C ALA A 60 0.598 2.807 3.765 1.00 0.00 C ATOM 895 O ALA A 60 1.622 2.408 3.213 1.00 0.00 O ATOM 896 CB ALA A 60 0.181 5.221 4.448 1.00 0.00 C ATOM 0 H ALA A 60 -2.049 4.586 3.673 1.00 0.00 H new ATOM 0 HA ALA A 60 0.481 4.496 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.247 5.356 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.251 6.163 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.308 4.908 5.370 1.00 0.00 H new ATOM 902 N LEU A 61 -0.050 2.147 4.713 1.00 0.00 N ATOM 903 CA LEU A 61 0.425 0.857 5.184 1.00 0.00 C ATOM 904 C LEU A 61 0.725 -0.041 3.982 1.00 0.00 C ATOM 905 O LEU A 61 1.864 -0.459 3.784 1.00 0.00 O ATOM 906 CB LEU A 61 -0.571 0.248 6.173 1.00 0.00 C ATOM 907 CG LEU A 61 -0.048 -0.911 7.025 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.399 -0.664 7.455 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.966 -1.170 8.221 1.00 0.00 C ATOM 0 H LEU A 61 -0.900 2.481 5.168 1.00 0.00 H new ATOM 0 HA LEU A 61 1.357 0.973 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.917 1.037 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.440 -0.101 5.615 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.053 -1.814 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.747 -1.502 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.030 -0.567 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.453 0.253 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.572 -1.998 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.016 -0.275 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.965 -1.421 7.865 1.00 0.00 H new ATOM 921 N HIS A 62 -0.318 -0.311 3.211 1.00 0.00 N ATOM 922 CA HIS A 62 -0.181 -1.152 2.034 1.00 0.00 C ATOM 923 C HIS A 62 0.821 -0.520 1.066 1.00 0.00 C ATOM 924 O HIS A 62 1.795 -1.158 0.670 1.00 0.00 O ATOM 925 CB HIS A 62 -1.544 -1.412 1.390 1.00 0.00 C ATOM 926 CG HIS A 62 -1.465 -1.960 -0.015 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.786 -3.270 -0.328 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.100 -1.363 -1.186 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.616 -3.442 -1.631 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.191 -2.259 -2.161 1.00 0.00 N ATOM 0 H HIS A 62 -1.262 0.038 3.378 1.00 0.00 H new ATOM 0 HA HIS A 62 0.211 -2.127 2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.100 -2.113 2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.111 -0.481 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.789 -0.335 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.784 -4.358 -2.178 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.978 -2.091 -3.144 1.00 0.00 H new ATOM 938 N ASP A 63 0.547 0.728 0.712 1.00 0.00 N ATOM 939 CA ASP A 63 1.413 1.453 -0.202 1.00 0.00 C ATOM 940 C ASP A 63 2.874 1.151 0.137 1.00 0.00 C ATOM 941 O ASP A 63 3.649 0.762 -0.735 1.00 0.00 O ATOM 942 CB ASP A 63 1.201 2.964 -0.078 1.00 0.00 C ATOM 943 CG ASP A 63 1.730 3.789 -1.253 1.00 0.00 C ATOM 944 OD1 ASP A 63 1.575 3.311 -2.398 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.278 4.879 -0.980 1.00 0.00 O ATOM 0 H ASP A 63 -0.262 1.255 1.042 1.00 0.00 H new ATOM 0 HA ASP A 63 1.173 1.136 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.134 3.158 0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.684 3.310 0.836 1.00 0.00 H new ATOM 950 N CYS A 64 3.205 1.342 1.405 1.00 0.00 N ATOM 951 CA CYS A 64 4.559 1.094 1.870 1.00 0.00 C ATOM 952 C CYS A 64 4.848 -0.402 1.734 1.00 0.00 C ATOM 953 O CYS A 64 5.650 -0.809 0.895 1.00 0.00 O ATOM 954 CB CYS A 64 4.764 1.587 3.304 1.00 0.00 C ATOM 955 SG CYS A 64 5.815 3.085 3.307 1.00 0.00 S ATOM 0 H CYS A 64 2.559 1.666 2.125 1.00 0.00 H new ATOM 0 HA CYS A 64 5.265 1.656 1.258 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.800 1.808 3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.230 0.805 3.903 1.00 0.00 H new ATOM 0 HG CYS A 64 6.972 2.805 2.784 1.00 0.00 H new ATOM 961 N ASN A 65 4.179 -1.180 2.573 1.00 0.00 N ATOM 962 CA ASN A 65 4.354 -2.622 2.557 1.00 0.00 C ATOM 963 C ASN A 65 3.986 -3.191 3.928 1.00 0.00 C ATOM 964 O ASN A 65 4.855 -3.649 4.668 1.00 0.00 O ATOM 965 CB ASN A 65 5.808 -2.998 2.263 1.00 0.00 C ATOM 966 CG ASN A 65 5.989 -3.381 0.793 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.246 -2.964 -0.080 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.016 -4.195 0.570 1.00 0.00 N ATOM 0 H ASN A 65 3.515 -0.839 3.268 1.00 0.00 H new ATOM 0 HA ASN A 65 3.712 -3.031 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.461 -2.160 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.108 -3.831 2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.222 -4.508 -0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.598 -4.506 1.348 1.00 0.00 H new ATOM 975 N GLY A 66 2.696 -3.144 4.226 1.00 0.00 N ATOM 976 CA GLY A 66 2.202 -3.649 5.496 1.00 0.00 C ATOM 977 C GLY A 66 3.184 -3.341 6.628 1.00 0.00 C ATOM 978 O GLY A 66 3.284 -4.099 7.592 1.00 0.00 O ATOM 0 H GLY A 66 1.978 -2.764 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.234 -3.201 5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.046 -4.726 5.428 1.00 0.00 H new ATOM 982 N ASP A 67 3.885 -2.227 6.474 1.00 0.00 N ATOM 983 CA ASP A 67 4.856 -1.809 7.471 1.00 0.00 C ATOM 984 C ASP A 67 4.352 -0.543 8.167 1.00 0.00 C ATOM 985 O ASP A 67 4.297 0.524 7.558 1.00 0.00 O ATOM 986 CB ASP A 67 6.205 -1.489 6.825 1.00 0.00 C ATOM 987 CG ASP A 67 7.337 -2.455 7.181 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.977 -2.219 8.229 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.538 -3.407 6.396 1.00 0.00 O ATOM 0 H ASP A 67 3.800 -1.601 5.673 1.00 0.00 H new ATOM 0 HA ASP A 67 4.982 -2.625 8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.080 -1.482 5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.501 -0.482 7.118 1.00 0.00 H new ATOM 994 N VAL A 68 3.998 -0.704 9.434 1.00 0.00 N ATOM 995 CA VAL A 68 3.502 0.413 10.219 1.00 0.00 C ATOM 996 C VAL A 68 4.567 1.509 10.269 1.00 0.00 C ATOM 997 O VAL A 68 4.248 2.694 10.188 1.00 0.00 O ATOM 998 CB VAL A 68 3.077 -0.072 11.607 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.126 1.069 12.625 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.686 -0.708 11.564 1.00 0.00 C ATOM 0 H VAL A 68 4.045 -1.591 9.936 1.00 0.00 H new ATOM 0 HA VAL A 68 2.615 0.843 9.753 1.00 0.00 H new ATOM 0 HB VAL A 68 3.785 -0.837 11.926 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.819 0.698 13.603 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.142 1.458 12.687 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.451 1.866 12.312 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.408 -1.044 12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.961 0.026 11.214 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.696 -1.560 10.885 1.00 0.00 H new ATOM 1010 N ASN A 69 5.812 1.075 10.403 1.00 0.00 N ATOM 1011 CA ASN A 69 6.926 2.006 10.465 1.00 0.00 C ATOM 1012 C ASN A 69 7.049 2.737 9.127 1.00 0.00 C ATOM 1013 O ASN A 69 6.918 3.959 9.069 1.00 0.00 O ATOM 1014 CB ASN A 69 8.243 1.271 10.725 1.00 0.00 C ATOM 1015 CG ASN A 69 8.046 0.129 11.723 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.754 0.333 12.890 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.221 -1.082 11.201 1.00 0.00 N ATOM 0 H ASN A 69 6.074 0.091 10.470 1.00 0.00 H new ATOM 0 HA ASN A 69 6.736 2.706 11.279 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.634 0.876 9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.984 1.971 11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.111 -1.910 11.786 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.465 -1.182 10.216 1.00 0.00 H new ATOM 1024 N ARG A 70 7.300 1.959 8.084 1.00 0.00 N ATOM 1025 CA ARG A 70 7.442 2.518 6.750 1.00 0.00 C ATOM 1026 C ARG A 70 6.281 3.467 6.446 1.00 0.00 C ATOM 1027 O ARG A 70 6.482 4.531 5.863 1.00 0.00 O ATOM 1028 CB ARG A 70 7.479 1.414 5.692 1.00 0.00 C ATOM 1029 CG ARG A 70 8.600 0.414 5.981 1.00 0.00 C ATOM 1030 CD ARG A 70 9.782 0.626 5.032 1.00 0.00 C ATOM 1031 NE ARG A 70 10.822 -0.397 5.283 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.064 -0.343 4.784 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.429 0.684 4.005 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.942 -1.316 5.065 1.00 0.00 N ATOM 0 H ARG A 70 7.409 0.946 8.136 1.00 0.00 H new ATOM 0 HA ARG A 70 8.383 3.068 6.719 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.521 0.895 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.626 1.855 4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.933 0.524 7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.222 -0.603 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.444 0.566 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.199 1.623 5.174 1.00 0.00 H new ATOM 0 HE ARG A 70 10.578 -1.193 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.761 1.425 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.375 0.725 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.664 -2.098 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.888 -1.275 4.685 1.00 0.00 H new ATOM 1048 N ALA A 71 5.093 3.048 6.856 1.00 0.00 N ATOM 1049 CA ALA A 71 3.900 3.848 6.635 1.00 0.00 C ATOM 1050 C ALA A 71 4.075 5.213 7.305 1.00 0.00 C ATOM 1051 O ALA A 71 3.869 6.249 6.674 1.00 0.00 O ATOM 1052 CB ALA A 71 2.675 3.095 7.157 1.00 0.00 C ATOM 0 H ALA A 71 4.931 2.165 7.340 1.00 0.00 H new ATOM 0 HA ALA A 71 3.746 4.021 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.781 3.696 6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.578 2.147 6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.792 2.906 8.224 1.00 0.00 H new ATOM 1058 N ILE A 72 4.453 5.169 8.574 1.00 0.00 N ATOM 1059 CA ILE A 72 4.658 6.389 9.336 1.00 0.00 C ATOM 1060 C ILE A 72 5.594 7.318 8.562 1.00 0.00 C ATOM 1061 O ILE A 72 5.411 8.534 8.566 1.00 0.00 O ATOM 1062 CB ILE A 72 5.145 6.062 10.749 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.016 5.474 11.597 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.778 7.289 11.408 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.551 4.424 12.572 1.00 0.00 C ATOM 0 H ILE A 72 4.623 4.308 9.094 1.00 0.00 H new ATOM 0 HA ILE A 72 3.715 6.921 9.464 1.00 0.00 H new ATOM 0 HB ILE A 72 5.921 5.300 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.520 6.271 12.151 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.266 5.023 10.947 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.116 7.030 12.411 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.629 7.623 10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.041 8.090 11.469 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.727 4.022 13.162 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.025 3.617 12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.283 4.884 13.236 1.00 0.00 H new ATOM 1077 N ASN A 73 6.578 6.710 7.915 1.00 0.00 N ATOM 1078 CA ASN A 73 7.544 7.467 7.138 1.00 0.00 C ATOM 1079 C ASN A 73 6.822 8.181 5.992 1.00 0.00 C ATOM 1080 O ASN A 73 7.302 9.196 5.489 1.00 0.00 O ATOM 1081 CB ASN A 73 8.604 6.547 6.529 1.00 0.00 C ATOM 1082 CG ASN A 73 9.980 6.817 7.140 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.712 7.698 6.721 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.290 6.011 8.152 1.00 0.00 N ATOM 0 H ASN A 73 6.727 5.701 7.913 1.00 0.00 H new ATOM 0 HA ASN A 73 8.027 8.182 7.804 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.326 5.506 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.645 6.698 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.187 6.111 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.631 5.293 8.453 1.00 0.00 H new ATOM 1091 N VAL A 74 5.683 7.622 5.613 1.00 0.00 N ATOM 1092 CA VAL A 74 4.891 8.192 4.537 1.00 0.00 C ATOM 1093 C VAL A 74 3.811 9.100 5.129 1.00 0.00 C ATOM 1094 O VAL A 74 3.668 10.250 4.717 1.00 0.00 O ATOM 1095 CB VAL A 74 4.318 7.076 3.660 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.516 7.653 2.492 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.428 6.149 3.159 1.00 0.00 C ATOM 0 H VAL A 74 5.289 6.780 6.032 1.00 0.00 H new ATOM 0 HA VAL A 74 5.515 8.808 3.890 1.00 0.00 H new ATOM 0 HB VAL A 74 3.638 6.484 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.120 6.839 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.691 8.252 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.164 8.280 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.995 5.365 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.144 6.723 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.937 5.698 4.011 1.00 0.00 H new ATOM 1107 N LEU A 75 3.079 8.549 6.086 1.00 0.00 N ATOM 1108 CA LEU A 75 2.017 9.295 6.739 1.00 0.00 C ATOM 1109 C LEU A 75 2.552 10.662 7.173 1.00 0.00 C ATOM 1110 O LEU A 75 1.943 11.691 6.883 1.00 0.00 O ATOM 1111 CB LEU A 75 1.415 8.479 7.885 1.00 0.00 C ATOM 1112 CG LEU A 75 0.293 7.512 7.502 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.214 6.345 8.489 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.043 8.246 7.375 1.00 0.00 C ATOM 0 H LEU A 75 3.200 7.595 6.425 1.00 0.00 H new ATOM 0 HA LEU A 75 1.198 9.478 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.214 7.908 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.031 9.171 8.635 1.00 0.00 H new ATOM 0 HG LEU A 75 0.524 7.091 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.592 5.673 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.159 5.802 8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.018 6.728 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.824 7.536 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.294 8.713 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.965 9.013 6.605 1.00 0.00 H new ATOM 1126 N LEU A 76 3.684 10.628 7.860 1.00 0.00 N ATOM 1127 CA LEU A 76 4.307 11.851 8.337 1.00 0.00 C ATOM 1128 C LEU A 76 4.653 12.741 7.141 1.00 0.00 C ATOM 1129 O LEU A 76 4.106 13.833 6.997 1.00 0.00 O ATOM 1130 CB LEU A 76 5.506 11.529 9.230 1.00 0.00 C ATOM 1131 CG LEU A 76 5.178 11.048 10.645 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.410 10.436 11.316 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.572 12.176 11.481 1.00 0.00 C ATOM 0 H LEU A 76 4.186 9.773 8.098 1.00 0.00 H new ATOM 0 HA LEU A 76 3.614 12.412 8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.106 10.764 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.127 12.421 9.306 1.00 0.00 H new ATOM 0 HG LEU A 76 4.427 10.262 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.149 10.102 12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.759 9.585 10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.201 11.184 11.376 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.348 11.807 12.482 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.282 13.001 11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.654 12.525 11.009 1.00 0.00 H new