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+ 167:sc= 0 (180deg=-0.239) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.559 K(o=-0.56,f=-1.3) USER MOD Single : A 50 THR OG1 : rot -86:sc= 1.3! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.265 K(o=-0.27,f=-5!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 57 CYS SG : rot 119:sc= -1.19 USER MOD Single : A 62 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.26) USER MOD Single : A 64 CYS SG : rot 157:sc= -2.77 USER MOD Single : A 65 ASN : amide:sc= -1.15! C(o=-1.2!,f=-1.3!) USER MOD Single : A 69 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.035) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.111 -10.451 9.726 1.00 0.00 N ATOM 528 CA ALA A 37 -5.191 -9.875 11.057 1.00 0.00 C ATOM 529 C ALA A 37 -3.951 -9.017 11.312 1.00 0.00 C ATOM 530 O ALA A 37 -4.044 -7.949 11.916 1.00 0.00 O ATOM 531 CB ALA A 37 -5.348 -10.994 12.089 1.00 0.00 C ATOM 0 HA ALA A 37 -6.063 -9.227 11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.408 -10.562 13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.259 -11.555 11.881 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.489 -11.663 12.034 1.00 0.00 H new ATOM 537 N ASP A 38 -2.818 -9.515 10.840 1.00 0.00 N ATOM 538 CA ASP A 38 -1.561 -8.807 11.009 1.00 0.00 C ATOM 539 C ASP A 38 -1.719 -7.369 10.512 1.00 0.00 C ATOM 540 O ASP A 38 -1.587 -6.422 11.286 1.00 0.00 O ATOM 541 CB ASP A 38 -0.443 -9.467 10.198 1.00 0.00 C ATOM 542 CG ASP A 38 -0.111 -10.903 10.605 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.878 -11.801 10.195 1.00 0.00 O ATOM 544 OD2 ASP A 38 0.902 -11.072 11.318 1.00 0.00 O ATOM 0 H ASP A 38 -2.744 -10.401 10.340 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.301 -8.830 12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.725 -9.460 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.459 -8.861 10.290 1.00 0.00 H new ATOM 549 N PHE A 39 -2.001 -7.249 9.223 1.00 0.00 N ATOM 550 CA PHE A 39 -2.179 -5.943 8.613 1.00 0.00 C ATOM 551 C PHE A 39 -3.213 -5.116 9.380 1.00 0.00 C ATOM 552 O PHE A 39 -3.034 -3.915 9.573 1.00 0.00 O ATOM 553 CB PHE A 39 -2.687 -6.179 7.189 1.00 0.00 C ATOM 554 CG PHE A 39 -2.948 -4.894 6.401 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.904 -4.130 5.980 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.224 -4.516 6.120 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.147 -2.937 5.248 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.467 -3.323 5.388 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.423 -2.559 4.968 1.00 0.00 C ATOM 0 H PHE A 39 -2.111 -8.036 8.584 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.236 -5.396 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.957 -6.782 6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.609 -6.759 7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.891 -4.430 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.053 -5.123 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.318 -2.330 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.480 -3.023 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.607 -1.652 4.412 1.00 0.00 H new ATOM 569 N GLU A 40 -4.273 -5.793 9.797 1.00 0.00 N ATOM 570 CA GLU A 40 -5.336 -5.137 10.539 1.00 0.00 C ATOM 571 C GLU A 40 -4.773 -4.471 11.796 1.00 0.00 C ATOM 572 O GLU A 40 -4.935 -3.267 11.990 1.00 0.00 O ATOM 573 CB GLU A 40 -6.449 -6.125 10.893 1.00 0.00 C ATOM 574 CG GLU A 40 -7.480 -6.218 9.767 1.00 0.00 C ATOM 575 CD GLU A 40 -8.732 -6.965 10.229 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.566 -8.108 10.709 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.827 -6.377 10.093 1.00 0.00 O ATOM 0 H GLU A 40 -4.418 -6.790 9.635 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.771 -4.364 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.020 -7.109 11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.939 -5.811 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.752 -5.216 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.042 -6.730 8.910 1.00 0.00 H new ATOM 584 N GLU A 41 -4.124 -5.283 12.617 1.00 0.00 N ATOM 585 CA GLU A 41 -3.536 -4.787 13.850 1.00 0.00 C ATOM 586 C GLU A 41 -2.617 -3.598 13.560 1.00 0.00 C ATOM 587 O GLU A 41 -2.597 -2.627 14.314 1.00 0.00 O ATOM 588 CB GLU A 41 -2.780 -5.898 14.582 1.00 0.00 C ATOM 589 CG GLU A 41 -3.488 -6.276 15.885 1.00 0.00 C ATOM 590 CD GLU A 41 -2.478 -6.692 16.956 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.628 -7.549 16.633 1.00 0.00 O ATOM 592 OE2 GLU A 41 -2.580 -6.143 18.075 1.00 0.00 O ATOM 0 H GLU A 41 -3.992 -6.281 12.453 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.341 -4.448 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.702 -6.775 13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.763 -5.570 14.798 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.075 -5.430 16.243 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.185 -7.093 15.701 1.00 0.00 H new ATOM 599 N LYS A 42 -1.880 -3.714 12.465 1.00 0.00 N ATOM 600 CA LYS A 42 -0.962 -2.661 12.066 1.00 0.00 C ATOM 601 C LYS A 42 -1.750 -1.376 11.804 1.00 0.00 C ATOM 602 O LYS A 42 -1.448 -0.331 12.378 1.00 0.00 O ATOM 603 CB LYS A 42 -0.111 -3.114 10.878 1.00 0.00 C ATOM 604 CG LYS A 42 0.987 -4.080 11.327 1.00 0.00 C ATOM 605 CD LYS A 42 2.146 -4.095 10.328 1.00 0.00 C ATOM 606 CE LYS A 42 3.261 -5.032 10.797 1.00 0.00 C ATOM 607 NZ LYS A 42 4.588 -4.434 10.526 1.00 0.00 N ATOM 0 H LYS A 42 -1.900 -4.521 11.842 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.257 -2.445 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.745 -3.598 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.338 -2.246 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.354 -3.787 12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.575 -5.084 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.784 -4.415 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.540 -3.086 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.155 -5.228 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.177 -5.991 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.320 -4.966 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.784 -4.472 9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.594 -3.444 10.843 1.00 0.00 H new ATOM 621 N VAL A 43 -2.744 -1.496 10.936 1.00 0.00 N ATOM 622 CA VAL A 43 -3.578 -0.357 10.591 1.00 0.00 C ATOM 623 C VAL A 43 -3.906 0.432 11.860 1.00 0.00 C ATOM 624 O VAL A 43 -3.613 1.623 11.948 1.00 0.00 O ATOM 625 CB VAL A 43 -4.825 -0.829 9.841 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.895 0.263 9.815 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.472 -1.286 8.424 1.00 0.00 C ATOM 0 H VAL A 43 -2.991 -2.365 10.461 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.046 0.316 9.918 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.234 -1.686 10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.771 -0.098 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.178 0.520 10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.500 1.147 9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.376 -1.617 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.027 -0.457 7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.761 -2.111 8.474 1.00 0.00 H new ATOM 637 N LYS A 44 -4.512 -0.264 12.811 1.00 0.00 N ATOM 638 CA LYS A 44 -4.883 0.357 14.072 1.00 0.00 C ATOM 639 C LYS A 44 -3.655 1.034 14.683 1.00 0.00 C ATOM 640 O LYS A 44 -3.730 2.179 15.127 1.00 0.00 O ATOM 641 CB LYS A 44 -5.547 -0.665 14.997 1.00 0.00 C ATOM 642 CG LYS A 44 -6.991 -0.936 14.568 1.00 0.00 C ATOM 643 CD LYS A 44 -7.597 -2.083 15.380 1.00 0.00 C ATOM 644 CE LYS A 44 -8.237 -1.563 16.669 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.665 -1.242 16.445 1.00 0.00 N ATOM 0 H LYS A 44 -4.755 -1.252 12.734 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.628 1.136 13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.979 -1.595 14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.532 -0.296 16.023 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.589 -0.035 14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.019 -1.182 13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.346 -2.601 14.781 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.823 -2.811 15.622 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.145 -2.312 17.456 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.708 -0.674 17.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.085 -0.890 17.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.745 -0.511 15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.169 -2.098 16.139 1.00 0.00 H new ATOM 659 N GLN A 45 -2.554 0.298 14.688 1.00 0.00 N ATOM 660 CA GLN A 45 -1.312 0.813 15.238 1.00 0.00 C ATOM 661 C GLN A 45 -0.979 2.172 14.617 1.00 0.00 C ATOM 662 O GLN A 45 -0.528 3.082 15.310 1.00 0.00 O ATOM 663 CB GLN A 45 -0.166 -0.179 15.030 1.00 0.00 C ATOM 664 CG GLN A 45 0.172 -0.906 16.333 1.00 0.00 C ATOM 665 CD GLN A 45 1.545 -0.481 16.857 1.00 0.00 C ATOM 666 OE1 GLN A 45 1.686 0.482 17.593 1.00 0.00 O ATOM 667 NE2 GLN A 45 2.546 -1.250 16.438 1.00 0.00 N ATOM 0 H GLN A 45 -2.496 -0.651 14.320 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.442 0.947 16.312 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.443 -0.905 14.265 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.715 0.349 14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.590 -0.690 17.082 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.160 -1.983 16.167 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.358 -2.041 15.822 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.502 -1.049 16.732 1.00 0.00 H new ATOM 676 N LEU A 46 -1.215 2.266 13.316 1.00 0.00 N ATOM 677 CA LEU A 46 -0.947 3.498 12.594 1.00 0.00 C ATOM 678 C LEU A 46 -1.849 4.608 13.136 1.00 0.00 C ATOM 679 O LEU A 46 -1.391 5.726 13.370 1.00 0.00 O ATOM 680 CB LEU A 46 -1.083 3.275 11.087 1.00 0.00 C ATOM 681 CG LEU A 46 0.191 2.849 10.354 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.092 2.579 8.875 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.305 3.880 10.545 1.00 0.00 C ATOM 0 H LEU A 46 -1.589 1.509 12.744 1.00 0.00 H new ATOM 0 HA LEU A 46 0.083 3.818 12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.846 2.515 10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.447 4.197 10.635 1.00 0.00 H new ATOM 0 HG LEU A 46 0.540 1.914 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.830 2.278 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.830 1.782 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.478 3.485 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.199 3.553 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.981 4.843 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.530 3.980 11.607 1.00 0.00 H new ATOM 695 N ILE A 47 -3.115 4.263 13.319 1.00 0.00 N ATOM 696 CA ILE A 47 -4.085 5.216 13.829 1.00 0.00 C ATOM 697 C ILE A 47 -3.681 5.642 15.242 1.00 0.00 C ATOM 698 O ILE A 47 -3.517 6.831 15.513 1.00 0.00 O ATOM 699 CB ILE A 47 -5.500 4.641 13.741 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.086 4.840 12.342 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.400 5.229 14.829 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.408 4.085 12.189 1.00 0.00 C ATOM 0 H ILE A 47 -3.491 3.336 13.123 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.093 6.116 13.214 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.444 3.567 13.917 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.247 5.902 12.159 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.375 4.491 11.593 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.400 4.803 14.744 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.987 4.992 15.810 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.455 6.311 14.710 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.803 4.243 11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.239 3.020 12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.124 4.453 12.923 1.00 0.00 H new ATOM 714 N ASP A 48 -3.533 4.648 16.105 1.00 0.00 N ATOM 715 CA ASP A 48 -3.151 4.905 17.484 1.00 0.00 C ATOM 716 C ASP A 48 -1.839 5.691 17.507 1.00 0.00 C ATOM 717 O ASP A 48 -1.663 6.589 18.329 1.00 0.00 O ATOM 718 CB ASP A 48 -2.933 3.597 18.247 1.00 0.00 C ATOM 719 CG ASP A 48 -3.974 3.299 19.329 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.334 4.255 20.049 1.00 0.00 O ATOM 721 OD2 ASP A 48 -4.385 2.121 19.411 1.00 0.00 O ATOM 0 H ASP A 48 -3.671 3.663 15.877 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.954 5.469 17.958 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.927 2.774 17.533 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.947 3.624 18.710 1.00 0.00 H new ATOM 726 N ILE A 49 -0.950 5.324 16.595 1.00 0.00 N ATOM 727 CA ILE A 49 0.341 5.984 16.501 1.00 0.00 C ATOM 728 C ILE A 49 0.143 7.413 15.993 1.00 0.00 C ATOM 729 O ILE A 49 0.330 8.373 16.739 1.00 0.00 O ATOM 730 CB ILE A 49 1.305 5.156 15.648 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.726 3.880 16.380 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.510 5.993 15.214 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.223 2.821 15.393 1.00 0.00 C ATOM 0 H ILE A 49 -1.099 4.578 15.915 1.00 0.00 H new ATOM 0 HA ILE A 49 0.804 6.057 17.485 1.00 0.00 H new ATOM 0 HB ILE A 49 0.783 4.850 14.741 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.513 4.111 17.098 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.882 3.486 16.947 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.179 5.381 14.609 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.168 6.846 14.627 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.042 6.349 16.096 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.516 1.924 15.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.426 2.575 14.692 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.082 3.209 14.845 1.00 0.00 H new ATOM 745 N THR A 50 -0.233 7.510 14.726 1.00 0.00 N ATOM 746 CA THR A 50 -0.459 8.806 14.109 1.00 0.00 C ATOM 747 C THR A 50 -1.884 9.289 14.388 1.00 0.00 C ATOM 748 O THR A 50 -2.083 10.248 15.132 1.00 0.00 O ATOM 749 CB THR A 50 -0.140 8.682 12.618 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.183 7.855 12.108 1.00 0.00 O ATOM 751 CG2 THR A 50 1.135 7.878 12.356 1.00 0.00 C ATOM 0 H THR A 50 -0.387 6.712 14.110 1.00 0.00 H new ATOM 0 HA THR A 50 0.197 9.566 14.534 1.00 0.00 H new ATOM 0 HB THR A 50 -0.036 9.677 12.185 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.935 6.913 12.214 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.315 7.821 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.980 8.368 12.840 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.020 6.872 12.759 1.00 0.00 H new ATOM 759 N GLY A 51 -2.837 8.602 13.776 1.00 0.00 N ATOM 760 CA GLY A 51 -4.238 8.949 13.949 1.00 0.00 C ATOM 761 C GLY A 51 -4.816 9.549 12.666 1.00 0.00 C ATOM 762 O GLY A 51 -5.817 10.264 12.707 1.00 0.00 O ATOM 0 H GLY A 51 -2.667 7.807 13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.805 8.060 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.342 9.662 14.767 1.00 0.00 H new ATOM 766 N LYS A 52 -4.162 9.237 11.557 1.00 0.00 N ATOM 767 CA LYS A 52 -4.600 9.736 10.265 1.00 0.00 C ATOM 768 C LYS A 52 -5.833 8.953 9.811 1.00 0.00 C ATOM 769 O LYS A 52 -6.260 8.016 10.484 1.00 0.00 O ATOM 770 CB LYS A 52 -3.446 9.704 9.260 1.00 0.00 C ATOM 771 CG LYS A 52 -2.281 10.574 9.734 1.00 0.00 C ATOM 772 CD LYS A 52 -2.600 12.060 9.560 1.00 0.00 C ATOM 773 CE LYS A 52 -1.330 12.863 9.269 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.615 13.955 8.312 1.00 0.00 N ATOM 0 H LYS A 52 -3.332 8.645 11.527 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.898 10.782 10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.106 8.677 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.795 10.055 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.069 10.364 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.382 10.323 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.312 12.190 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.077 12.441 10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.935 13.278 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.562 12.205 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.743 14.490 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.971 13.552 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.332 14.592 8.715 1.00 0.00 H new ATOM 788 N ASN A 53 -6.371 9.366 8.672 1.00 0.00 N ATOM 789 CA ASN A 53 -7.547 8.715 8.121 1.00 0.00 C ATOM 790 C ASN A 53 -7.261 7.223 7.941 1.00 0.00 C ATOM 791 O ASN A 53 -6.371 6.845 7.181 1.00 0.00 O ATOM 792 CB ASN A 53 -7.907 9.297 6.752 1.00 0.00 C ATOM 793 CG ASN A 53 -8.188 10.797 6.850 1.00 0.00 C ATOM 794 OD1 ASN A 53 -7.573 11.521 7.616 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.149 11.222 6.036 1.00 0.00 N ATOM 0 H ASN A 53 -6.014 10.143 8.116 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.376 8.875 8.810 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.090 9.122 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.783 8.785 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.411 12.208 6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.624 10.563 5.420 1.00 0.00 H new ATOM 802 N GLN A 54 -8.034 6.415 8.652 1.00 0.00 N ATOM 803 CA GLN A 54 -7.874 4.973 8.580 1.00 0.00 C ATOM 804 C GLN A 54 -7.572 4.543 7.143 1.00 0.00 C ATOM 805 O GLN A 54 -6.532 3.943 6.877 1.00 0.00 O ATOM 806 CB GLN A 54 -9.116 4.257 9.117 1.00 0.00 C ATOM 807 CG GLN A 54 -8.854 2.759 9.288 1.00 0.00 C ATOM 808 CD GLN A 54 -10.160 1.997 9.520 1.00 0.00 C ATOM 809 OE1 GLN A 54 -11.064 2.455 10.199 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.209 0.812 8.918 1.00 0.00 N ATOM 0 H GLN A 54 -8.772 6.732 9.280 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.030 4.689 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.405 4.691 10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.951 4.408 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.355 2.370 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.180 2.598 10.130 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.416 0.488 8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.039 0.227 9.011 1.00 0.00 H new ATOM 819 N ASP A 55 -8.500 4.867 6.255 1.00 0.00 N ATOM 820 CA ASP A 55 -8.346 4.522 4.852 1.00 0.00 C ATOM 821 C ASP A 55 -6.926 4.869 4.399 1.00 0.00 C ATOM 822 O ASP A 55 -6.244 4.043 3.794 1.00 0.00 O ATOM 823 CB ASP A 55 -9.326 5.310 3.980 1.00 0.00 C ATOM 824 CG ASP A 55 -10.603 4.557 3.600 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.293 4.103 4.538 1.00 0.00 O ATOM 826 OD2 ASP A 55 -10.859 4.453 2.381 1.00 0.00 O ATOM 0 H ASP A 55 -9.361 5.365 6.480 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.544 3.456 4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.604 6.223 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.814 5.612 3.066 1.00 0.00 H new ATOM 831 N GLU A 56 -6.523 6.093 4.709 1.00 0.00 N ATOM 832 CA GLU A 56 -5.197 6.559 4.341 1.00 0.00 C ATOM 833 C GLU A 56 -4.126 5.669 4.976 1.00 0.00 C ATOM 834 O GLU A 56 -3.188 5.245 4.303 1.00 0.00 O ATOM 835 CB GLU A 56 -5.000 8.023 4.740 1.00 0.00 C ATOM 836 CG GLU A 56 -5.828 8.951 3.849 1.00 0.00 C ATOM 837 CD GLU A 56 -5.016 9.418 2.639 1.00 0.00 C ATOM 838 OE1 GLU A 56 -3.938 10.006 2.873 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.491 9.176 1.509 1.00 0.00 O ATOM 0 H GLU A 56 -7.091 6.776 5.211 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.099 6.495 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.288 8.161 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.945 8.286 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.725 8.432 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.158 9.815 4.425 1.00 0.00 H new ATOM 846 N CYS A 57 -4.302 5.414 6.264 1.00 0.00 N ATOM 847 CA CYS A 57 -3.363 4.582 6.997 1.00 0.00 C ATOM 848 C CYS A 57 -3.310 3.209 6.324 1.00 0.00 C ATOM 849 O CYS A 57 -2.231 2.708 6.011 1.00 0.00 O ATOM 850 CB CYS A 57 -3.735 4.478 8.477 1.00 0.00 C ATOM 851 SG CYS A 57 -3.639 6.128 9.264 1.00 0.00 S ATOM 0 H CYS A 57 -5.081 5.769 6.819 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.373 5.037 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.743 4.075 8.580 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.062 3.785 8.982 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.809 6.458 9.725 1.00 0.00 H new ATOM 857 N VAL A 58 -4.489 2.639 6.121 1.00 0.00 N ATOM 858 CA VAL A 58 -4.591 1.334 5.491 1.00 0.00 C ATOM 859 C VAL A 58 -3.935 1.386 4.110 1.00 0.00 C ATOM 860 O VAL A 58 -3.319 0.415 3.674 1.00 0.00 O ATOM 861 CB VAL A 58 -6.055 0.890 5.441 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.211 -0.392 4.621 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.622 0.711 6.851 1.00 0.00 C ATOM 0 H VAL A 58 -5.382 3.057 6.382 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.058 0.585 6.076 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.627 1.676 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.260 -0.686 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.864 -0.217 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.620 -1.188 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.663 0.395 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.045 -0.046 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.562 1.656 7.390 1.00 0.00 H new ATOM 873 N ILE A 59 -4.090 2.530 3.459 1.00 0.00 N ATOM 874 CA ILE A 59 -3.520 2.722 2.136 1.00 0.00 C ATOM 875 C ILE A 59 -2.000 2.849 2.254 1.00 0.00 C ATOM 876 O ILE A 59 -1.261 2.019 1.726 1.00 0.00 O ATOM 877 CB ILE A 59 -4.184 3.908 1.434 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.654 3.613 1.129 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.407 4.306 0.178 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.478 4.901 1.102 1.00 0.00 C ATOM 0 H ILE A 59 -4.602 3.333 3.823 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.720 1.856 1.505 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.161 4.762 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.735 3.105 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.056 2.935 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.900 5.151 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.390 4.587 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.376 3.464 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.519 4.663 0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.415 5.394 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.088 5.566 0.331 1.00 0.00 H new ATOM 892 N ALA A 60 -1.578 3.895 2.950 1.00 0.00 N ATOM 893 CA ALA A 60 -0.159 4.141 3.144 1.00 0.00 C ATOM 894 C ALA A 60 0.515 2.858 3.632 1.00 0.00 C ATOM 895 O ALA A 60 1.564 2.470 3.120 1.00 0.00 O ATOM 896 CB ALA A 60 0.029 5.305 4.118 1.00 0.00 C ATOM 0 H ALA A 60 -2.194 4.581 3.386 1.00 0.00 H new ATOM 0 HA ALA A 60 0.313 4.424 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.093 5.489 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.442 6.200 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.430 5.057 5.075 1.00 0.00 H new ATOM 902 N LEU A 61 -0.115 2.233 4.616 1.00 0.00 N ATOM 903 CA LEU A 61 0.411 1.001 5.179 1.00 0.00 C ATOM 904 C LEU A 61 0.800 0.052 4.044 1.00 0.00 C ATOM 905 O LEU A 61 1.978 -0.248 3.857 1.00 0.00 O ATOM 906 CB LEU A 61 -0.585 0.398 6.171 1.00 0.00 C ATOM 907 CG LEU A 61 -0.081 -0.795 6.986 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.357 -0.568 7.458 1.00 0.00 C ATOM 909 CD2 LEU A 61 -1.025 -1.103 8.150 1.00 0.00 C ATOM 0 H LEU A 61 -0.985 2.557 5.038 1.00 0.00 H new ATOM 0 HA LEU A 61 1.316 1.200 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.897 1.180 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.473 0.087 5.620 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.073 -1.672 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.691 -1.430 8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.007 -0.436 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.398 0.324 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.643 -1.955 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.089 -0.235 8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.016 -1.339 7.762 1.00 0.00 H new ATOM 921 N HIS A 62 -0.213 -0.393 3.315 1.00 0.00 N ATOM 922 CA HIS A 62 0.008 -1.302 2.203 1.00 0.00 C ATOM 923 C HIS A 62 0.907 -0.631 1.162 1.00 0.00 C ATOM 924 O HIS A 62 1.942 -1.178 0.785 1.00 0.00 O ATOM 925 CB HIS A 62 -1.323 -1.779 1.618 1.00 0.00 C ATOM 926 CG HIS A 62 -1.214 -2.338 0.219 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.376 -3.682 -0.066 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.959 -1.720 -0.970 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.222 -3.855 -1.370 1.00 0.00 C ATOM 930 NE2 HIS A 62 -0.963 -2.638 -1.929 1.00 0.00 N ATOM 0 H HIS A 62 -1.189 -0.141 3.473 1.00 0.00 H new ATOM 0 HA HIS A 62 0.524 -2.195 2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.742 -2.543 2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.025 -0.945 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.784 -0.663 -1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.290 -4.795 -1.898 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.799 -2.462 -2.920 1.00 0.00 H new ATOM 938 N ASP A 63 0.478 0.545 0.728 1.00 0.00 N ATOM 939 CA ASP A 63 1.231 1.297 -0.262 1.00 0.00 C ATOM 940 C ASP A 63 2.726 1.180 0.044 1.00 0.00 C ATOM 941 O ASP A 63 3.529 0.933 -0.854 1.00 0.00 O ATOM 942 CB ASP A 63 0.856 2.780 -0.229 1.00 0.00 C ATOM 943 CG ASP A 63 1.156 3.552 -1.516 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.290 3.399 -2.018 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.244 4.277 -1.968 1.00 0.00 O ATOM 0 H ASP A 63 -0.381 0.996 1.043 1.00 0.00 H new ATOM 0 HA ASP A 63 0.998 0.888 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.209 2.865 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.388 3.256 0.595 1.00 0.00 H new ATOM 950 N CYS A 64 3.054 1.364 1.314 1.00 0.00 N ATOM 951 CA CYS A 64 4.437 1.282 1.749 1.00 0.00 C ATOM 952 C CYS A 64 4.894 -0.173 1.626 1.00 0.00 C ATOM 953 O CYS A 64 5.708 -0.501 0.764 1.00 0.00 O ATOM 954 CB CYS A 64 4.616 1.818 3.171 1.00 0.00 C ATOM 955 SG CYS A 64 5.565 3.382 3.136 1.00 0.00 S ATOM 0 H CYS A 64 2.385 1.570 2.056 1.00 0.00 H new ATOM 0 HA CYS A 64 5.059 1.912 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.642 1.984 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.136 1.081 3.783 1.00 0.00 H new ATOM 0 HG CYS A 64 5.314 4.066 4.212 1.00 0.00 H new ATOM 961 N ASN A 65 4.351 -1.006 2.501 1.00 0.00 N ATOM 962 CA ASN A 65 4.693 -2.419 2.501 1.00 0.00 C ATOM 963 C ASN A 65 4.025 -3.101 3.697 1.00 0.00 C ATOM 964 O ASN A 65 4.628 -3.954 4.346 1.00 0.00 O ATOM 965 CB ASN A 65 6.205 -2.620 2.627 1.00 0.00 C ATOM 966 CG ASN A 65 6.562 -4.107 2.631 1.00 0.00 C ATOM 967 OD1 ASN A 65 6.075 -4.891 1.833 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.436 -4.451 3.572 1.00 0.00 N ATOM 0 H ASN A 65 3.677 -0.730 3.215 1.00 0.00 H new ATOM 0 HA ASN A 65 4.349 -2.849 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.712 -2.123 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.562 -2.154 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.738 -5.422 3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.805 -3.744 4.208 1.00 0.00 H new ATOM 975 N GLY A 66 2.788 -2.699 3.951 1.00 0.00 N ATOM 976 CA GLY A 66 2.032 -3.261 5.057 1.00 0.00 C ATOM 977 C GLY A 66 2.781 -3.085 6.380 1.00 0.00 C ATOM 978 O GLY A 66 2.467 -3.747 7.368 1.00 0.00 O ATOM 0 H GLY A 66 2.291 -1.991 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.058 -2.776 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.850 -4.320 4.876 1.00 0.00 H new ATOM 982 N ASP A 67 3.756 -2.188 6.355 1.00 0.00 N ATOM 983 CA ASP A 67 4.552 -1.916 7.540 1.00 0.00 C ATOM 984 C ASP A 67 4.050 -0.631 8.202 1.00 0.00 C ATOM 985 O ASP A 67 3.817 0.369 7.526 1.00 0.00 O ATOM 986 CB ASP A 67 6.026 -1.718 7.180 1.00 0.00 C ATOM 987 CG ASP A 67 6.979 -2.766 7.757 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.004 -2.886 9.001 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.661 -3.424 6.942 1.00 0.00 O ATOM 0 H ASP A 67 4.013 -1.641 5.533 1.00 0.00 H new ATOM 0 HA ASP A 67 4.457 -2.768 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.123 -1.720 6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.340 -0.733 7.527 1.00 0.00 H new ATOM 994 N VAL A 68 3.900 -0.701 9.517 1.00 0.00 N ATOM 995 CA VAL A 68 3.430 0.444 10.278 1.00 0.00 C ATOM 996 C VAL A 68 4.503 1.535 10.264 1.00 0.00 C ATOM 997 O VAL A 68 4.185 2.722 10.204 1.00 0.00 O ATOM 998 CB VAL A 68 3.039 0.008 11.692 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.095 1.188 12.664 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.656 -0.646 11.701 1.00 0.00 C ATOM 0 H VAL A 68 4.096 -1.533 10.074 1.00 0.00 H new ATOM 0 HA VAL A 68 2.533 0.864 9.822 1.00 0.00 H new ATOM 0 HB VAL A 68 3.763 -0.735 12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.813 0.851 13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.108 1.590 12.690 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.404 1.964 12.334 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.402 -0.947 12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.915 0.066 11.337 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.664 -1.524 11.055 1.00 0.00 H new ATOM 1010 N ASN A 69 5.751 1.094 10.320 1.00 0.00 N ATOM 1011 CA ASN A 69 6.872 2.018 10.314 1.00 0.00 C ATOM 1012 C ASN A 69 6.962 2.696 8.945 1.00 0.00 C ATOM 1013 O ASN A 69 6.782 3.908 8.836 1.00 0.00 O ATOM 1014 CB ASN A 69 8.191 1.285 10.565 1.00 0.00 C ATOM 1015 CG ASN A 69 9.087 2.079 11.518 1.00 0.00 C ATOM 1016 OD1 ASN A 69 10.191 2.479 11.185 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.553 2.284 12.718 1.00 0.00 N ATOM 0 H ASN A 69 6.011 0.109 10.370 1.00 0.00 H new ATOM 0 HA ASN A 69 6.709 2.750 11.105 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.989 0.300 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.709 1.128 9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.073 2.804 13.425 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.624 1.922 12.931 1.00 0.00 H new ATOM 1024 N ARG A 70 7.239 1.885 7.935 1.00 0.00 N ATOM 1025 CA ARG A 70 7.354 2.391 6.578 1.00 0.00 C ATOM 1026 C ARG A 70 6.233 3.391 6.288 1.00 0.00 C ATOM 1027 O ARG A 70 6.446 4.384 5.594 1.00 0.00 O ATOM 1028 CB ARG A 70 7.290 1.253 5.558 1.00 0.00 C ATOM 1029 CG ARG A 70 8.671 0.629 5.346 1.00 0.00 C ATOM 1030 CD ARG A 70 9.044 0.615 3.862 1.00 0.00 C ATOM 1031 NE ARG A 70 9.846 -0.591 3.554 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.161 -0.699 3.787 1.00 0.00 C ATOM 1033 NH1 ARG A 70 11.831 0.325 4.333 1.00 0.00 N ATOM 1034 NH2 ARG A 70 11.806 -1.831 3.475 1.00 0.00 N ATOM 0 H ARG A 70 7.387 0.880 8.029 1.00 0.00 H new ATOM 0 HA ARG A 70 8.320 2.888 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.591 0.490 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.908 1.631 4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.418 1.191 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.678 -0.389 5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.141 0.627 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.610 1.512 3.612 1.00 0.00 H new ATOM 0 HE ARG A 70 9.367 -1.390 3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.340 1.187 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.832 0.243 4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.296 -2.611 3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.807 -1.913 3.652 1.00 0.00 H new ATOM 1048 N ALA A 71 5.062 3.093 6.833 1.00 0.00 N ATOM 1049 CA ALA A 71 3.907 3.953 6.641 1.00 0.00 C ATOM 1050 C ALA A 71 4.166 5.305 7.310 1.00 0.00 C ATOM 1051 O ALA A 71 4.124 6.344 6.654 1.00 0.00 O ATOM 1052 CB ALA A 71 2.658 3.261 7.189 1.00 0.00 C ATOM 0 H ALA A 71 4.889 2.268 7.407 1.00 0.00 H new ATOM 0 HA ALA A 71 3.738 4.137 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.792 3.906 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.502 2.320 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.789 3.062 8.253 1.00 0.00 H new ATOM 1058 N ILE A 72 4.428 5.246 8.608 1.00 0.00 N ATOM 1059 CA ILE A 72 4.693 6.452 9.373 1.00 0.00 C ATOM 1060 C ILE A 72 5.584 7.387 8.551 1.00 0.00 C ATOM 1061 O ILE A 72 5.383 8.600 8.551 1.00 0.00 O ATOM 1062 CB ILE A 72 5.272 6.100 10.745 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.210 5.455 11.638 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.907 7.327 11.403 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.854 4.537 12.679 1.00 0.00 C ATOM 0 H ILE A 72 4.462 4.382 9.149 1.00 0.00 H new ATOM 0 HA ILE A 72 3.765 6.988 9.572 1.00 0.00 H new ATOM 0 HB ILE A 72 6.064 5.365 10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.632 6.231 12.140 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.513 4.883 11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.311 7.050 12.377 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.711 7.704 10.771 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.152 8.103 11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.078 4.091 13.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.412 3.748 12.174 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.532 5.117 13.305 1.00 0.00 H new ATOM 1077 N ASN A 73 6.548 6.785 7.870 1.00 0.00 N ATOM 1078 CA ASN A 73 7.470 7.549 7.046 1.00 0.00 C ATOM 1079 C ASN A 73 6.675 8.411 6.064 1.00 0.00 C ATOM 1080 O ASN A 73 6.924 9.610 5.942 1.00 0.00 O ATOM 1081 CB ASN A 73 8.378 6.623 6.234 1.00 0.00 C ATOM 1082 CG ASN A 73 9.847 6.827 6.612 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.560 7.627 6.028 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.258 6.061 7.618 1.00 0.00 N ATOM 0 H ASN A 73 6.711 5.778 7.872 1.00 0.00 H new ATOM 0 HA ASN A 73 8.080 8.166 7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.095 5.585 6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.242 6.816 5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.222 6.122 7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.609 5.412 8.063 1.00 0.00 H new ATOM 1091 N VAL A 74 5.733 7.768 5.389 1.00 0.00 N ATOM 1092 CA VAL A 74 4.900 8.462 4.421 1.00 0.00 C ATOM 1093 C VAL A 74 3.813 9.245 5.160 1.00 0.00 C ATOM 1094 O VAL A 74 3.628 10.437 4.918 1.00 0.00 O ATOM 1095 CB VAL A 74 4.335 7.465 3.407 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.495 8.179 2.347 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.455 6.647 2.761 1.00 0.00 C ATOM 0 H VAL A 74 5.528 6.774 5.493 1.00 0.00 H new ATOM 0 HA VAL A 74 5.491 9.182 3.854 1.00 0.00 H new ATOM 0 HB VAL A 74 3.683 6.775 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.105 7.448 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.665 8.696 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.115 8.902 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.027 5.946 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.144 7.317 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.993 6.095 3.531 1.00 0.00 H new ATOM 1107 N LEU A 75 3.121 8.543 6.046 1.00 0.00 N ATOM 1108 CA LEU A 75 2.057 9.157 6.821 1.00 0.00 C ATOM 1109 C LEU A 75 2.536 10.507 7.357 1.00 0.00 C ATOM 1110 O LEU A 75 1.958 11.546 7.040 1.00 0.00 O ATOM 1111 CB LEU A 75 1.568 8.201 7.911 1.00 0.00 C ATOM 1112 CG LEU A 75 0.360 7.334 7.550 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.162 6.216 8.576 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.898 8.188 7.382 1.00 0.00 C ATOM 0 H LEU A 75 3.277 7.555 6.244 1.00 0.00 H new ATOM 0 HA LEU A 75 1.191 9.354 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.393 7.544 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.318 8.787 8.795 1.00 0.00 H new ATOM 0 HG LEU A 75 0.556 6.858 6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.703 5.614 8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.050 5.585 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.002 6.652 9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.741 7.547 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.110 8.711 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.740 8.916 6.586 1.00 0.00 H new ATOM 1126 N LEU A 76 3.589 10.449 8.160 1.00 0.00 N ATOM 1127 CA LEU A 76 4.152 11.655 8.743 1.00 0.00 C ATOM 1128 C LEU A 76 4.308 12.718 7.655 1.00 0.00 C ATOM 1129 O LEU A 76 3.701 13.786 7.733 1.00 0.00 O ATOM 1130 CB LEU A 76 5.454 11.335 9.481 1.00 0.00 C ATOM 1131 CG LEU A 76 5.303 10.684 10.857 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.658 10.222 11.397 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.587 11.622 11.832 1.00 0.00 C ATOM 0 H LEU A 76 4.067 9.586 8.420 1.00 0.00 H new ATOM 0 HA LEU A 76 3.478 12.065 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.052 10.675 8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.018 12.260 9.599 1.00 0.00 H new ATOM 0 HG LEU A 76 4.680 9.796 10.748 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.522 9.763 12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.094 9.494 10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.325 11.079 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.493 11.135 12.803 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.163 12.541 11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.595 11.859 11.447 1.00 0.00 H new