USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.00216 X(o=-0.0022,f=-0.0022) USER MOD Single : A 50 THR OG1 : rot -84:sc= 1.09! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.071) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 57 CYS SG : rot 64:sc= 0.0154 USER MOD Single : A 62 HIS : no HD1:sc= -1.36! K(o=-1.4!,f=-0.38) USER MOD Single : A 64 CYS SG : rot 152:sc= -5.8! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 69 ASN : amide:sc= 0.683 K(o=0.68,f=-4.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.070 -10.365 9.772 1.00 0.00 N ATOM 528 CA ALA A 37 -5.254 -9.695 11.048 1.00 0.00 C ATOM 529 C ALA A 37 -4.052 -8.787 11.320 1.00 0.00 C ATOM 530 O ALA A 37 -4.218 -7.617 11.662 1.00 0.00 O ATOM 531 CB ALA A 37 -5.456 -10.739 12.149 1.00 0.00 C ATOM 0 HA ALA A 37 -6.145 -9.067 11.027 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.594 -10.236 13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.338 -11.339 11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.580 -11.386 12.202 1.00 0.00 H new ATOM 537 N ASP A 38 -2.869 -9.361 11.158 1.00 0.00 N ATOM 538 CA ASP A 38 -1.640 -8.618 11.381 1.00 0.00 C ATOM 539 C ASP A 38 -1.788 -7.209 10.802 1.00 0.00 C ATOM 540 O ASP A 38 -1.675 -6.221 11.526 1.00 0.00 O ATOM 541 CB ASP A 38 -0.455 -9.292 10.688 1.00 0.00 C ATOM 542 CG ASP A 38 -0.249 -10.765 11.045 1.00 0.00 C ATOM 543 OD1 ASP A 38 -1.220 -11.533 10.871 1.00 0.00 O ATOM 544 OD2 ASP A 38 0.875 -11.091 11.485 1.00 0.00 O ATOM 0 H ASP A 38 -2.735 -10.332 10.875 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.457 -8.584 12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.590 -9.211 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.453 -8.743 10.938 1.00 0.00 H new ATOM 549 N PHE A 39 -2.040 -7.162 9.502 1.00 0.00 N ATOM 550 CA PHE A 39 -2.204 -5.891 8.817 1.00 0.00 C ATOM 551 C PHE A 39 -3.316 -5.061 9.462 1.00 0.00 C ATOM 552 O PHE A 39 -3.182 -3.848 9.612 1.00 0.00 O ATOM 553 CB PHE A 39 -2.594 -6.209 7.372 1.00 0.00 C ATOM 554 CG PHE A 39 -2.822 -4.971 6.503 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.765 -4.211 6.111 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.083 -4.630 6.122 1.00 0.00 C ATOM 557 CE1 PHE A 39 -1.976 -3.062 5.304 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.294 -3.481 5.315 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.237 -2.721 4.923 1.00 0.00 C ATOM 0 H PHE A 39 -2.135 -7.984 8.905 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.279 -5.316 8.872 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.811 -6.818 6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.503 -6.810 7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.764 -4.481 6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.923 -5.233 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.136 -2.459 4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.295 -3.211 5.012 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.398 -1.847 4.309 1.00 0.00 H new ATOM 569 N GLU A 40 -4.389 -5.748 9.826 1.00 0.00 N ATOM 570 CA GLU A 40 -5.523 -5.090 10.452 1.00 0.00 C ATOM 571 C GLU A 40 -5.086 -4.390 11.740 1.00 0.00 C ATOM 572 O GLU A 40 -5.300 -3.190 11.903 1.00 0.00 O ATOM 573 CB GLU A 40 -6.653 -6.085 10.724 1.00 0.00 C ATOM 574 CG GLU A 40 -7.559 -6.234 9.500 1.00 0.00 C ATOM 575 CD GLU A 40 -8.463 -5.011 9.334 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.509 -4.982 10.018 1.00 0.00 O ATOM 577 OE2 GLU A 40 -8.088 -4.132 8.528 1.00 0.00 O ATOM 0 H GLU A 40 -4.497 -6.754 9.699 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.906 -4.336 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.232 -7.055 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.241 -5.748 11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.949 -6.364 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.170 -7.131 9.602 1.00 0.00 H new ATOM 584 N GLU A 41 -4.482 -5.171 12.624 1.00 0.00 N ATOM 585 CA GLU A 41 -4.013 -4.641 13.893 1.00 0.00 C ATOM 586 C GLU A 41 -2.997 -3.521 13.659 1.00 0.00 C ATOM 587 O GLU A 41 -2.923 -2.573 14.438 1.00 0.00 O ATOM 588 CB GLU A 41 -3.416 -5.750 14.763 1.00 0.00 C ATOM 589 CG GLU A 41 -4.370 -6.130 15.898 1.00 0.00 C ATOM 590 CD GLU A 41 -3.935 -5.489 17.217 1.00 0.00 C ATOM 591 OE1 GLU A 41 -2.773 -5.731 17.610 1.00 0.00 O ATOM 592 OE2 GLU A 41 -4.774 -4.772 17.803 1.00 0.00 O ATOM 0 H GLU A 41 -4.307 -6.166 12.486 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.866 -4.224 14.428 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.208 -6.626 14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.464 -5.419 15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.382 -5.810 15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.397 -7.214 16.008 1.00 0.00 H new ATOM 599 N LYS A 42 -2.240 -3.669 12.582 1.00 0.00 N ATOM 600 CA LYS A 42 -1.232 -2.682 12.235 1.00 0.00 C ATOM 601 C LYS A 42 -1.921 -1.393 11.781 1.00 0.00 C ATOM 602 O LYS A 42 -1.621 -0.313 12.287 1.00 0.00 O ATOM 603 CB LYS A 42 -0.255 -3.253 11.204 1.00 0.00 C ATOM 604 CG LYS A 42 0.705 -4.252 11.854 1.00 0.00 C ATOM 605 CD LYS A 42 1.879 -4.566 10.925 1.00 0.00 C ATOM 606 CE LYS A 42 2.739 -5.697 11.493 1.00 0.00 C ATOM 607 NZ LYS A 42 3.799 -6.076 10.531 1.00 0.00 N ATOM 0 H LYS A 42 -2.304 -4.458 11.938 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.629 -2.431 13.107 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.810 -3.744 10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.312 -2.442 10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.079 -3.845 12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.171 -5.171 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.504 -4.848 9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.489 -3.673 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.190 -5.382 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.113 -6.562 11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.373 -6.845 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.363 -6.397 9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.406 -5.253 10.341 1.00 0.00 H new ATOM 621 N VAL A 43 -2.832 -1.550 10.831 1.00 0.00 N ATOM 622 CA VAL A 43 -3.566 -0.413 10.303 1.00 0.00 C ATOM 623 C VAL A 43 -4.041 0.465 11.463 1.00 0.00 C ATOM 624 O VAL A 43 -3.788 1.669 11.479 1.00 0.00 O ATOM 625 CB VAL A 43 -4.711 -0.897 9.412 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.830 0.144 9.343 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.205 -1.251 8.013 1.00 0.00 C ATOM 0 H VAL A 43 -3.078 -2.448 10.414 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.920 0.200 9.674 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.123 -1.802 9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.631 -0.225 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.220 0.326 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.437 1.074 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.039 -1.592 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.755 -0.370 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.460 -2.043 8.085 1.00 0.00 H new ATOM 637 N LYS A 44 -4.720 -0.172 12.405 1.00 0.00 N ATOM 638 CA LYS A 44 -5.233 0.536 13.566 1.00 0.00 C ATOM 639 C LYS A 44 -4.063 1.122 14.359 1.00 0.00 C ATOM 640 O LYS A 44 -4.104 2.280 14.769 1.00 0.00 O ATOM 641 CB LYS A 44 -6.140 -0.377 14.393 1.00 0.00 C ATOM 642 CG LYS A 44 -5.922 -0.156 15.891 1.00 0.00 C ATOM 643 CD LYS A 44 -6.755 -1.138 16.718 1.00 0.00 C ATOM 644 CE LYS A 44 -6.180 -1.294 18.127 1.00 0.00 C ATOM 645 NZ LYS A 44 -7.262 -1.563 19.101 1.00 0.00 N ATOM 0 H LYS A 44 -4.927 -1.171 12.388 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.859 1.372 13.256 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.183 -0.184 14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.939 -1.419 14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.866 -0.279 16.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.192 0.867 16.154 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.785 -0.786 16.779 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.779 -2.108 16.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.457 -2.110 18.143 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.645 -0.388 18.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.855 -1.666 20.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.937 -0.772 19.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.755 -2.440 18.838 1.00 0.00 H new ATOM 659 N GLN A 45 -3.046 0.294 14.551 1.00 0.00 N ATOM 660 CA GLN A 45 -1.866 0.715 15.287 1.00 0.00 C ATOM 661 C GLN A 45 -1.309 2.013 14.698 1.00 0.00 C ATOM 662 O GLN A 45 -0.789 2.856 15.428 1.00 0.00 O ATOM 663 CB GLN A 45 -0.803 -0.385 15.294 1.00 0.00 C ATOM 664 CG GLN A 45 -0.699 -1.038 16.674 1.00 0.00 C ATOM 665 CD GLN A 45 0.645 -0.720 17.332 1.00 0.00 C ATOM 666 OE1 GLN A 45 0.778 0.205 18.117 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.631 -1.535 16.968 1.00 0.00 N ATOM 0 H GLN A 45 -3.015 -0.667 14.209 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.154 0.902 16.321 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.051 -1.140 14.548 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.163 0.036 15.013 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.511 -0.685 17.309 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.815 -2.118 16.579 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.451 -2.290 16.306 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.568 -1.405 17.351 1.00 0.00 H new ATOM 676 N LEU A 46 -1.436 2.132 13.385 1.00 0.00 N ATOM 677 CA LEU A 46 -0.951 3.313 12.690 1.00 0.00 C ATOM 678 C LEU A 46 -1.755 4.532 13.145 1.00 0.00 C ATOM 679 O LEU A 46 -1.220 5.637 13.228 1.00 0.00 O ATOM 680 CB LEU A 46 -0.973 3.091 11.177 1.00 0.00 C ATOM 681 CG LEU A 46 0.319 2.552 10.559 1.00 0.00 C ATOM 682 CD1 LEU A 46 0.096 2.126 9.107 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.455 3.569 10.690 1.00 0.00 C ATOM 0 H LEU A 46 -1.868 1.430 12.784 1.00 0.00 H new ATOM 0 HA LEU A 46 0.091 3.505 12.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.781 2.398 10.943 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.216 4.038 10.694 1.00 0.00 H new ATOM 0 HG LEU A 46 0.618 1.662 11.113 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.030 1.747 8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.662 1.344 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.239 2.984 8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.362 3.161 10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.180 4.490 10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.634 3.781 11.744 1.00 0.00 H new ATOM 695 N ILE A 47 -3.027 4.291 13.427 1.00 0.00 N ATOM 696 CA ILE A 47 -3.910 5.356 13.871 1.00 0.00 C ATOM 697 C ILE A 47 -3.420 5.891 15.218 1.00 0.00 C ATOM 698 O ILE A 47 -3.102 7.073 15.342 1.00 0.00 O ATOM 699 CB ILE A 47 -5.362 4.874 13.893 1.00 0.00 C ATOM 700 CG1 ILE A 47 -5.762 4.277 12.542 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.306 5.998 14.325 1.00 0.00 C ATOM 702 CD1 ILE A 47 -6.993 3.380 12.682 1.00 0.00 C ATOM 0 H ILE A 47 -3.467 3.374 13.357 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.885 6.189 13.168 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.447 4.079 14.634 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.970 5.079 11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.932 3.700 12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.332 5.629 14.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.035 6.337 15.325 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.225 6.830 13.626 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.256 2.969 11.708 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.773 2.566 13.372 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.828 3.966 13.066 1.00 0.00 H new ATOM 714 N ASP A 48 -3.373 4.996 16.193 1.00 0.00 N ATOM 715 CA ASP A 48 -2.927 5.363 17.526 1.00 0.00 C ATOM 716 C ASP A 48 -1.517 5.951 17.443 1.00 0.00 C ATOM 717 O ASP A 48 -1.165 6.840 18.217 1.00 0.00 O ATOM 718 CB ASP A 48 -2.877 4.142 18.446 1.00 0.00 C ATOM 719 CG ASP A 48 -3.571 4.321 19.798 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.778 4.645 19.777 1.00 0.00 O ATOM 721 OD2 ASP A 48 -2.880 4.129 20.821 1.00 0.00 O ATOM 0 H ASP A 48 -3.637 4.016 16.086 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.632 6.089 17.930 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.334 3.298 17.929 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.833 3.881 18.622 1.00 0.00 H new ATOM 726 N ILE A 49 -0.748 5.430 16.498 1.00 0.00 N ATOM 727 CA ILE A 49 0.616 5.892 16.304 1.00 0.00 C ATOM 728 C ILE A 49 0.593 7.285 15.672 1.00 0.00 C ATOM 729 O ILE A 49 0.935 8.272 16.322 1.00 0.00 O ATOM 730 CB ILE A 49 1.421 4.866 15.504 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.612 3.575 16.302 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.754 5.456 15.040 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.753 2.370 15.370 1.00 0.00 C ATOM 0 H ILE A 49 -1.044 4.692 15.858 1.00 0.00 H new ATOM 0 HA ILE A 49 1.127 5.985 17.262 1.00 0.00 H new ATOM 0 HB ILE A 49 0.854 4.610 14.609 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.499 3.659 16.930 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.763 3.426 16.969 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.306 4.706 14.474 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.567 6.324 14.407 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.339 5.759 15.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.888 1.465 15.963 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.854 2.274 14.761 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.618 2.511 14.722 1.00 0.00 H new ATOM 745 N THR A 50 0.186 7.321 14.411 1.00 0.00 N ATOM 746 CA THR A 50 0.114 8.576 13.683 1.00 0.00 C ATOM 747 C THR A 50 -1.080 9.403 14.164 1.00 0.00 C ATOM 748 O THR A 50 -0.906 10.433 14.813 1.00 0.00 O ATOM 749 CB THR A 50 0.068 8.254 12.188 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.222 7.679 11.997 1.00 0.00 O ATOM 751 CG2 THR A 50 1.037 7.135 11.800 1.00 0.00 C ATOM 0 H THR A 50 -0.097 6.501 13.875 1.00 0.00 H new ATOM 0 HA THR A 50 0.993 9.193 13.870 1.00 0.00 H new ATOM 0 HB THR A 50 0.303 9.151 11.616 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.189 6.724 12.212 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.964 6.946 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.056 7.434 12.048 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.782 6.227 12.347 1.00 0.00 H new ATOM 759 N GLY A 51 -2.267 8.921 13.826 1.00 0.00 N ATOM 760 CA GLY A 51 -3.490 9.603 14.215 1.00 0.00 C ATOM 761 C GLY A 51 -4.261 10.089 12.986 1.00 0.00 C ATOM 762 O GLY A 51 -5.168 10.912 13.103 1.00 0.00 O ATOM 0 H GLY A 51 -2.408 8.066 13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.117 8.929 14.799 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.250 10.451 14.857 1.00 0.00 H new ATOM 766 N LYS A 52 -3.872 9.560 11.835 1.00 0.00 N ATOM 767 CA LYS A 52 -4.515 9.930 10.586 1.00 0.00 C ATOM 768 C LYS A 52 -5.830 9.160 10.447 1.00 0.00 C ATOM 769 O LYS A 52 -6.458 8.811 11.445 1.00 0.00 O ATOM 770 CB LYS A 52 -3.557 9.729 9.410 1.00 0.00 C ATOM 771 CG LYS A 52 -2.180 10.321 9.717 1.00 0.00 C ATOM 772 CD LYS A 52 -2.157 11.827 9.445 1.00 0.00 C ATOM 773 CE LYS A 52 -1.058 12.186 8.443 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.366 13.469 7.773 1.00 0.00 N ATOM 0 H LYS A 52 -3.119 8.878 11.741 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.765 10.991 10.586 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.459 8.665 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.968 10.200 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.923 10.132 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.424 9.826 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.125 12.145 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.994 12.366 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.099 12.258 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.963 11.394 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.610 13.698 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.271 13.388 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.434 14.225 8.484 1.00 0.00 H new ATOM 788 N ASN A 53 -6.208 8.918 9.200 1.00 0.00 N ATOM 789 CA ASN A 53 -7.436 8.195 8.917 1.00 0.00 C ATOM 790 C ASN A 53 -7.103 6.737 8.595 1.00 0.00 C ATOM 791 O ASN A 53 -6.288 6.463 7.715 1.00 0.00 O ATOM 792 CB ASN A 53 -8.161 8.793 7.710 1.00 0.00 C ATOM 793 CG ASN A 53 -8.639 10.216 8.006 1.00 0.00 C ATOM 794 OD1 ASN A 53 -9.294 10.484 9.000 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.277 11.110 7.090 1.00 0.00 N ATOM 0 H ASN A 53 -5.685 9.210 8.374 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.078 8.265 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.494 8.802 6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.013 8.167 7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.548 12.088 7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.728 10.818 6.281 1.00 0.00 H new ATOM 802 N GLN A 54 -7.750 5.840 9.324 1.00 0.00 N ATOM 803 CA GLN A 54 -7.532 4.417 9.127 1.00 0.00 C ATOM 804 C GLN A 54 -7.356 4.109 7.639 1.00 0.00 C ATOM 805 O GLN A 54 -6.291 3.663 7.215 1.00 0.00 O ATOM 806 CB GLN A 54 -8.678 3.599 9.725 1.00 0.00 C ATOM 807 CG GLN A 54 -8.418 2.099 9.573 1.00 0.00 C ATOM 808 CD GLN A 54 -9.654 1.286 9.966 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.503 1.726 10.723 1.00 0.00 O ATOM 810 NE2 GLN A 54 -9.706 0.079 9.410 1.00 0.00 N ATOM 0 H GLN A 54 -8.426 6.071 10.052 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.617 4.133 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.794 3.847 10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.613 3.862 9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.145 1.876 8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.573 1.808 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.961 -0.227 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.491 -0.541 9.609 1.00 0.00 H new ATOM 819 N ASP A 55 -8.418 4.358 6.886 1.00 0.00 N ATOM 820 CA ASP A 55 -8.394 4.113 5.454 1.00 0.00 C ATOM 821 C ASP A 55 -7.039 4.545 4.889 1.00 0.00 C ATOM 822 O ASP A 55 -6.304 3.727 4.338 1.00 0.00 O ATOM 823 CB ASP A 55 -9.482 4.916 4.739 1.00 0.00 C ATOM 824 CG ASP A 55 -9.876 6.226 5.426 1.00 0.00 C ATOM 825 OD1 ASP A 55 -10.604 6.139 6.438 1.00 0.00 O ATOM 826 OD2 ASP A 55 -9.439 7.284 4.924 1.00 0.00 O ATOM 0 H ASP A 55 -9.300 4.727 7.241 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.566 3.049 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.141 5.141 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.370 4.292 4.644 1.00 0.00 H new ATOM 831 N GLU A 56 -6.751 5.828 5.046 1.00 0.00 N ATOM 832 CA GLU A 56 -5.497 6.378 4.558 1.00 0.00 C ATOM 833 C GLU A 56 -4.318 5.554 5.078 1.00 0.00 C ATOM 834 O GLU A 56 -3.390 5.252 4.329 1.00 0.00 O ATOM 835 CB GLU A 56 -5.354 7.850 4.952 1.00 0.00 C ATOM 836 CG GLU A 56 -6.355 8.721 4.191 1.00 0.00 C ATOM 837 CD GLU A 56 -5.703 9.359 2.962 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.465 8.608 1.992 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.458 10.584 3.021 1.00 0.00 O ATOM 0 H GLU A 56 -7.364 6.503 5.504 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.499 6.326 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.513 7.960 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.339 8.189 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.208 8.116 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.739 9.500 4.849 1.00 0.00 H new ATOM 846 N CYS A 57 -4.393 5.214 6.356 1.00 0.00 N ATOM 847 CA CYS A 57 -3.343 4.430 6.984 1.00 0.00 C ATOM 848 C CYS A 57 -3.211 3.108 6.226 1.00 0.00 C ATOM 849 O CYS A 57 -2.101 2.641 5.974 1.00 0.00 O ATOM 850 CB CYS A 57 -3.617 4.209 8.473 1.00 0.00 C ATOM 851 SG CYS A 57 -3.526 5.802 9.370 1.00 0.00 S ATOM 0 H CYS A 57 -5.164 5.467 6.974 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.399 4.973 6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.602 3.762 8.607 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.891 3.508 8.885 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.471 6.591 8.951 1.00 0.00 H new ATOM 857 N VAL A 58 -4.358 2.542 5.883 1.00 0.00 N ATOM 858 CA VAL A 58 -4.385 1.283 5.158 1.00 0.00 C ATOM 859 C VAL A 58 -3.665 1.455 3.819 1.00 0.00 C ATOM 860 O VAL A 58 -2.780 0.671 3.481 1.00 0.00 O ATOM 861 CB VAL A 58 -5.828 0.798 5.004 1.00 0.00 C ATOM 862 CG1 VAL A 58 -5.881 -0.539 4.261 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.521 0.697 6.364 1.00 0.00 C ATOM 0 H VAL A 58 -5.277 2.932 6.094 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.855 0.510 5.715 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.367 1.534 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.918 -0.861 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.444 -0.422 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.319 -1.288 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.545 0.350 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.981 -0.008 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.531 1.677 6.841 1.00 0.00 H new ATOM 873 N ILE A 59 -4.072 2.486 3.093 1.00 0.00 N ATOM 874 CA ILE A 59 -3.478 2.771 1.798 1.00 0.00 C ATOM 875 C ILE A 59 -1.966 2.939 1.962 1.00 0.00 C ATOM 876 O ILE A 59 -1.187 2.211 1.349 1.00 0.00 O ATOM 877 CB ILE A 59 -4.163 3.973 1.147 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.603 3.638 0.755 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.350 4.490 -0.042 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.587 4.630 1.379 1.00 0.00 C ATOM 0 H ILE A 59 -4.806 3.134 3.377 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.635 1.936 1.115 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.209 4.778 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.702 3.657 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.846 2.626 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.859 5.345 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.360 4.794 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.250 3.700 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.603 4.369 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.503 4.591 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.357 5.638 1.033 1.00 0.00 H new ATOM 892 N ALA A 60 -1.596 3.902 2.793 1.00 0.00 N ATOM 893 CA ALA A 60 -0.192 4.175 3.046 1.00 0.00 C ATOM 894 C ALA A 60 0.512 2.876 3.444 1.00 0.00 C ATOM 895 O ALA A 60 1.468 2.458 2.793 1.00 0.00 O ATOM 896 CB ALA A 60 -0.067 5.258 4.119 1.00 0.00 C ATOM 0 H ALA A 60 -2.245 4.503 3.300 1.00 0.00 H new ATOM 0 HA ALA A 60 0.294 4.551 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.987 5.462 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.557 6.169 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.541 4.915 5.039 1.00 0.00 H new ATOM 902 N LEU A 61 0.012 2.273 4.513 1.00 0.00 N ATOM 903 CA LEU A 61 0.580 1.030 5.006 1.00 0.00 C ATOM 904 C LEU A 61 0.921 0.124 3.821 1.00 0.00 C ATOM 905 O LEU A 61 2.067 -0.292 3.663 1.00 0.00 O ATOM 906 CB LEU A 61 -0.356 0.381 6.027 1.00 0.00 C ATOM 907 CG LEU A 61 0.229 -0.786 6.827 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.660 -0.480 7.275 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.675 -1.151 8.005 1.00 0.00 C ATOM 0 H LEU A 61 -0.781 2.623 5.051 1.00 0.00 H new ATOM 0 HA LEU A 61 1.511 1.222 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.684 1.148 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.244 0.027 5.503 1.00 0.00 H new ATOM 0 HG LEU A 61 0.275 -1.658 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.052 -1.325 7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.286 -0.307 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.662 0.410 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.236 -1.983 8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.776 -0.290 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.658 -1.441 7.633 1.00 0.00 H new ATOM 921 N HIS A 62 -0.096 -0.154 3.018 1.00 0.00 N ATOM 922 CA HIS A 62 0.081 -1.002 1.852 1.00 0.00 C ATOM 923 C HIS A 62 1.065 -0.344 0.883 1.00 0.00 C ATOM 924 O HIS A 62 2.078 -0.941 0.521 1.00 0.00 O ATOM 925 CB HIS A 62 -1.267 -1.322 1.203 1.00 0.00 C ATOM 926 CG HIS A 62 -1.161 -1.825 -0.217 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.516 -3.111 -0.584 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.737 -1.203 -1.354 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.310 -3.246 -1.886 1.00 0.00 C ATOM 930 NE2 HIS A 62 -0.827 -2.062 -2.361 1.00 0.00 N ATOM 0 H HIS A 62 -1.046 0.193 3.152 1.00 0.00 H new ATOM 0 HA HIS A 62 0.508 -1.958 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.780 -2.071 1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.886 -0.425 1.215 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.387 -0.184 -1.423 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.492 -4.137 -2.469 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.576 -1.869 -3.331 1.00 0.00 H new ATOM 938 N ASP A 63 0.733 0.877 0.491 1.00 0.00 N ATOM 939 CA ASP A 63 1.574 1.622 -0.429 1.00 0.00 C ATOM 940 C ASP A 63 3.044 1.390 -0.071 1.00 0.00 C ATOM 941 O ASP A 63 3.836 0.984 -0.919 1.00 0.00 O ATOM 942 CB ASP A 63 1.297 3.124 -0.336 1.00 0.00 C ATOM 943 CG ASP A 63 1.090 3.828 -1.678 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.048 3.550 -2.310 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.980 4.628 -2.042 1.00 0.00 O ATOM 0 H ASP A 63 -0.108 1.369 0.794 1.00 0.00 H new ATOM 0 HA ASP A 63 1.356 1.277 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.410 3.277 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.129 3.600 0.182 1.00 0.00 H new ATOM 950 N CYS A 64 3.363 1.658 1.187 1.00 0.00 N ATOM 951 CA CYS A 64 4.723 1.484 1.667 1.00 0.00 C ATOM 952 C CYS A 64 5.132 0.028 1.435 1.00 0.00 C ATOM 953 O CYS A 64 5.965 -0.257 0.575 1.00 0.00 O ATOM 954 CB CYS A 64 4.860 1.887 3.137 1.00 0.00 C ATOM 955 SG CYS A 64 5.869 3.407 3.277 1.00 0.00 S ATOM 0 H CYS A 64 2.703 1.994 1.888 1.00 0.00 H new ATOM 0 HA CYS A 64 5.393 2.142 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.874 2.054 3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.324 1.079 3.703 1.00 0.00 H new ATOM 0 HG CYS A 64 5.512 4.069 4.337 1.00 0.00 H new ATOM 961 N ASN A 65 4.526 -0.855 2.215 1.00 0.00 N ATOM 962 CA ASN A 65 4.817 -2.275 2.105 1.00 0.00 C ATOM 963 C ASN A 65 4.217 -3.008 3.306 1.00 0.00 C ATOM 964 O ASN A 65 4.849 -3.897 3.874 1.00 0.00 O ATOM 965 CB ASN A 65 6.325 -2.530 2.100 1.00 0.00 C ATOM 966 CG ASN A 65 6.729 -3.409 0.915 1.00 0.00 C ATOM 967 OD1 ASN A 65 6.955 -2.942 -0.189 1.00 0.00 O ATOM 968 ND2 ASN A 65 6.808 -4.704 1.205 1.00 0.00 N ATOM 0 H ASN A 65 3.835 -0.615 2.926 1.00 0.00 H new ATOM 0 HA ASN A 65 4.388 -2.636 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.858 -1.580 2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.619 -3.013 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.071 -5.373 0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.605 -5.028 2.151 1.00 0.00 H new ATOM 975 N GLY A 66 3.003 -2.609 3.657 1.00 0.00 N ATOM 976 CA GLY A 66 2.310 -3.218 4.780 1.00 0.00 C ATOM 977 C GLY A 66 3.101 -3.034 6.076 1.00 0.00 C ATOM 978 O GLY A 66 2.817 -3.687 7.079 1.00 0.00 O ATOM 0 H GLY A 66 2.481 -1.871 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.321 -2.772 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.162 -4.281 4.588 1.00 0.00 H new ATOM 982 N ASP A 67 4.079 -2.142 6.014 1.00 0.00 N ATOM 983 CA ASP A 67 4.913 -1.864 7.171 1.00 0.00 C ATOM 984 C ASP A 67 4.388 -0.617 7.885 1.00 0.00 C ATOM 985 O ASP A 67 4.141 0.408 7.252 1.00 0.00 O ATOM 986 CB ASP A 67 6.361 -1.595 6.754 1.00 0.00 C ATOM 987 CG ASP A 67 7.360 -2.686 7.146 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.593 -2.830 8.365 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.867 -3.351 6.217 1.00 0.00 O ATOM 0 H ASP A 67 4.312 -1.602 5.180 1.00 0.00 H new ATOM 0 HA ASP A 67 4.882 -2.734 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.394 -1.465 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.682 -0.653 7.198 1.00 0.00 H new ATOM 994 N VAL A 68 4.232 -0.746 9.195 1.00 0.00 N ATOM 995 CA VAL A 68 3.740 0.357 10.002 1.00 0.00 C ATOM 996 C VAL A 68 4.803 1.456 10.058 1.00 0.00 C ATOM 997 O VAL A 68 4.490 2.636 9.909 1.00 0.00 O ATOM 998 CB VAL A 68 3.330 -0.150 11.387 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.374 0.979 12.419 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.947 -0.801 11.344 1.00 0.00 C ATOM 0 H VAL A 68 4.438 -1.598 9.717 1.00 0.00 H new ATOM 0 HA VAL A 68 2.847 0.791 9.552 1.00 0.00 H new ATOM 0 HB VAL A 68 4.049 -0.910 11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.078 0.592 13.394 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.387 1.378 12.479 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.688 1.772 12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.679 -1.153 12.340 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.211 -0.071 11.007 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.963 -1.644 10.654 1.00 0.00 H new ATOM 1010 N ASN A 69 6.039 1.029 10.275 1.00 0.00 N ATOM 1011 CA ASN A 69 7.150 1.962 10.352 1.00 0.00 C ATOM 1012 C ASN A 69 7.255 2.734 9.036 1.00 0.00 C ATOM 1013 O ASN A 69 7.158 3.960 9.021 1.00 0.00 O ATOM 1014 CB ASN A 69 8.473 1.226 10.576 1.00 0.00 C ATOM 1015 CG ASN A 69 8.304 0.091 11.588 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.549 -0.846 11.390 1.00 0.00 O ATOM 1017 ND2 ASN A 69 9.049 0.228 12.682 1.00 0.00 N ATOM 0 H ASN A 69 6.295 0.050 10.400 1.00 0.00 H new ATOM 0 HA ASN A 69 6.966 2.636 11.189 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.834 0.824 9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.227 1.927 10.933 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.008 -0.477 13.418 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.661 1.038 12.784 1.00 0.00 H new ATOM 1024 N ARG A 70 7.453 1.984 7.961 1.00 0.00 N ATOM 1025 CA ARG A 70 7.573 2.583 6.643 1.00 0.00 C ATOM 1026 C ARG A 70 6.390 3.516 6.374 1.00 0.00 C ATOM 1027 O ARG A 70 6.547 4.554 5.734 1.00 0.00 O ATOM 1028 CB ARG A 70 7.624 1.510 5.553 1.00 0.00 C ATOM 1029 CG ARG A 70 8.878 0.644 5.695 1.00 0.00 C ATOM 1030 CD ARG A 70 10.119 1.391 5.202 1.00 0.00 C ATOM 1031 NE ARG A 70 11.316 0.532 5.343 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.481 0.759 4.722 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.614 1.820 3.914 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.514 -0.073 4.909 1.00 0.00 N ATOM 0 H ARG A 70 7.533 0.967 7.976 1.00 0.00 H new ATOM 0 HA ARG A 70 8.502 3.152 6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.735 0.882 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.614 1.983 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.011 0.359 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.754 -0.278 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.989 1.680 4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.251 2.310 5.773 1.00 0.00 H new ATOM 0 HE ARG A 70 11.250 -0.284 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.828 2.455 3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.501 1.993 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.414 -0.880 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.401 0.101 4.436 1.00 0.00 H new ATOM 1048 N ALA A 71 5.233 3.112 6.877 1.00 0.00 N ATOM 1049 CA ALA A 71 4.025 3.899 6.700 1.00 0.00 C ATOM 1050 C ALA A 71 4.192 5.248 7.402 1.00 0.00 C ATOM 1051 O ALA A 71 4.033 6.299 6.782 1.00 0.00 O ATOM 1052 CB ALA A 71 2.822 3.114 7.225 1.00 0.00 C ATOM 0 H ALA A 71 5.107 2.250 7.407 1.00 0.00 H new ATOM 0 HA ALA A 71 3.849 4.097 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.916 3.705 7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.729 2.178 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.962 2.898 8.284 1.00 0.00 H new ATOM 1058 N ILE A 72 4.510 5.175 8.686 1.00 0.00 N ATOM 1059 CA ILE A 72 4.701 6.378 9.480 1.00 0.00 C ATOM 1060 C ILE A 72 5.610 7.346 8.720 1.00 0.00 C ATOM 1061 O ILE A 72 5.486 8.561 8.864 1.00 0.00 O ATOM 1062 CB ILE A 72 5.213 6.022 10.877 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.117 5.351 11.708 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.791 7.253 11.579 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.668 4.143 12.468 1.00 0.00 C ATOM 0 H ILE A 72 4.640 4.302 9.197 1.00 0.00 H new ATOM 0 HA ILE A 72 3.750 6.888 9.635 1.00 0.00 H new ATOM 0 HB ILE A 72 6.024 5.301 10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.699 6.069 12.413 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.303 5.035 11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.148 6.973 12.570 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.620 7.650 10.994 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.017 8.015 11.674 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.869 3.684 13.051 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.063 3.416 11.758 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.465 4.467 13.137 1.00 0.00 H new ATOM 1077 N ASN A 73 6.502 6.771 7.927 1.00 0.00 N ATOM 1078 CA ASN A 73 7.432 7.568 7.145 1.00 0.00 C ATOM 1079 C ASN A 73 6.654 8.368 6.097 1.00 0.00 C ATOM 1080 O ASN A 73 6.969 9.529 5.838 1.00 0.00 O ATOM 1081 CB ASN A 73 8.437 6.679 6.410 1.00 0.00 C ATOM 1082 CG ASN A 73 9.872 7.036 6.800 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.509 7.892 6.209 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.345 6.334 7.826 1.00 0.00 N ATOM 0 H ASN A 73 6.601 5.763 7.809 1.00 0.00 H new ATOM 0 HA ASN A 73 7.967 8.229 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.242 5.633 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.310 6.793 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.294 6.498 8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.759 5.631 8.277 1.00 0.00 H new ATOM 1091 N VAL A 74 5.654 7.715 5.523 1.00 0.00 N ATOM 1092 CA VAL A 74 4.830 8.351 4.510 1.00 0.00 C ATOM 1093 C VAL A 74 3.707 9.137 5.191 1.00 0.00 C ATOM 1094 O VAL A 74 3.502 10.314 4.897 1.00 0.00 O ATOM 1095 CB VAL A 74 4.311 7.303 3.523 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.477 7.954 2.419 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.464 6.489 2.932 1.00 0.00 C ATOM 0 H VAL A 74 5.396 6.752 5.740 1.00 0.00 H new ATOM 0 HA VAL A 74 5.419 9.061 3.930 1.00 0.00 H new ATOM 0 HB VAL A 74 3.664 6.619 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.121 7.187 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.624 8.468 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.091 8.672 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.068 5.751 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.148 7.155 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.998 5.980 3.734 1.00 0.00 H new ATOM 1107 N LEU A 75 3.011 8.455 6.088 1.00 0.00 N ATOM 1108 CA LEU A 75 1.915 9.074 6.813 1.00 0.00 C ATOM 1109 C LEU A 75 2.364 10.439 7.339 1.00 0.00 C ATOM 1110 O LEU A 75 1.793 11.466 6.977 1.00 0.00 O ATOM 1111 CB LEU A 75 1.395 8.135 7.904 1.00 0.00 C ATOM 1112 CG LEU A 75 0.217 7.241 7.514 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.042 6.097 8.514 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.064 8.061 7.351 1.00 0.00 C ATOM 0 H LEU A 75 3.185 7.479 6.329 1.00 0.00 H new ATOM 0 HA LEU A 75 1.070 9.250 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.217 7.497 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.100 8.737 8.763 1.00 0.00 H new ATOM 0 HG LEU A 75 0.436 6.791 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.802 5.477 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.948 5.491 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.144 6.507 9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.886 7.401 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.300 8.558 8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.920 8.809 6.571 1.00 0.00 H new ATOM 1126 N LEU A 76 3.383 10.405 8.185 1.00 0.00 N ATOM 1127 CA LEU A 76 3.915 11.626 8.765 1.00 0.00 C ATOM 1128 C LEU A 76 3.958 12.718 7.694 1.00 0.00 C ATOM 1129 O LEU A 76 3.340 13.770 7.849 1.00 0.00 O ATOM 1130 CB LEU A 76 5.269 11.360 9.426 1.00 0.00 C ATOM 1131 CG LEU A 76 5.229 10.611 10.759 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.615 10.083 11.133 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.633 11.488 11.863 1.00 0.00 C ATOM 0 H LEU A 76 3.854 9.551 8.483 1.00 0.00 H new ATOM 0 HA LEU A 76 3.263 11.985 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.885 10.790 8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.768 12.316 9.584 1.00 0.00 H new ATOM 0 HG LEU A 76 4.575 9.747 10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.558 9.555 12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.965 9.400 10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.310 10.918 11.222 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.616 10.932 12.800 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.241 12.384 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.617 11.773 11.592 1.00 0.00 H new