USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 ASN : amide:sc= 0.672 K(o=1.7,f=-2.9) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 179:sc= 1.04 (180deg=0) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN : amide:sc= 0.883 K(o=0.88,f=0.35) USER MOD Set 3.1: A 46 TYR OH : rot 90:sc= 0.622 USER MOD Set 3.2: A 56 ASN : amide:sc= 0 X(o=0.62,f=0.74) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.21 K(o=1.2,f=-8.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 2.4 (180deg=2.32) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc=-0.00455 X(o=-0.0045,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=0.000208 USER MOD Single : A 61 SER OG : rot -5:sc= 0.339 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 136:sc= 1.14 (180deg=0.347) USER MOD Single : A 84 THR OG1 : rot 15:sc= 0.446 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -172:sc=-0.00284 (180deg=-0.0978) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.623 -5.485 3.041 1.00 0.00 N ATOM 624 CA LEU A 35 -9.383 -5.399 1.604 1.00 0.00 C ATOM 625 C LEU A 35 -10.373 -6.319 0.877 1.00 0.00 C ATOM 626 O LEU A 35 -10.643 -7.441 1.313 1.00 0.00 O ATOM 627 CB LEU A 35 -7.944 -5.809 1.229 1.00 0.00 C ATOM 628 CG LEU A 35 -6.852 -4.769 1.547 1.00 0.00 C ATOM 629 CD1 LEU A 35 -6.152 -5.041 2.880 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.781 -4.799 0.452 1.00 0.00 C ATOM 0 HA LEU A 35 -9.522 -4.361 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.702 -6.735 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.914 -6.027 0.161 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.349 -3.801 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.393 -4.279 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.884 -5.015 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.680 -6.023 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.009 -4.063 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.334 -5.792 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.237 -4.563 -0.510 1.00 0.00 H new ATOM 642 N SER A 36 -10.847 -5.842 -0.267 1.00 0.00 N ATOM 643 CA SER A 36 -11.759 -6.545 -1.179 1.00 0.00 C ATOM 644 C SER A 36 -11.161 -6.725 -2.558 1.00 0.00 C ATOM 645 O SER A 36 -10.874 -7.845 -2.981 1.00 0.00 O ATOM 646 CB SER A 36 -13.140 -5.870 -1.226 1.00 0.00 C ATOM 647 OG SER A 36 -13.751 -5.893 0.055 1.00 0.00 O ATOM 0 H SER A 36 -10.599 -4.912 -0.606 1.00 0.00 H new ATOM 0 HA SER A 36 -11.907 -7.547 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.036 -4.840 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.777 -6.382 -1.948 1.00 0.00 H new ATOM 0 HG SER A 36 -14.628 -5.458 0.007 1.00 0.00 H new ATOM 653 N GLU A 37 -10.965 -5.622 -3.265 1.00 0.00 N ATOM 654 CA GLU A 37 -10.593 -5.637 -4.672 1.00 0.00 C ATOM 655 C GLU A 37 -10.054 -4.278 -5.094 1.00 0.00 C ATOM 656 O GLU A 37 -8.954 -4.167 -5.632 1.00 0.00 O ATOM 657 CB GLU A 37 -11.850 -5.995 -5.487 1.00 0.00 C ATOM 658 CG GLU A 37 -11.451 -6.936 -6.614 1.00 0.00 C ATOM 659 CD GLU A 37 -12.548 -7.017 -7.691 1.00 0.00 C ATOM 660 OE1 GLU A 37 -12.663 -6.060 -8.498 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.292 -8.027 -7.742 1.00 0.00 O ATOM 0 H GLU A 37 -11.060 -4.684 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.807 -6.372 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.594 -6.468 -4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.307 -5.092 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.520 -6.592 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.261 -7.930 -6.210 1.00 0.00 H new ATOM 668 N GLU A 38 -10.796 -3.230 -4.746 1.00 0.00 N ATOM 669 CA GLU A 38 -10.409 -1.847 -5.020 1.00 0.00 C ATOM 670 C GLU A 38 -9.133 -1.473 -4.255 1.00 0.00 C ATOM 671 O GLU A 38 -8.299 -0.732 -4.767 1.00 0.00 O ATOM 672 CB GLU A 38 -11.582 -0.911 -4.669 1.00 0.00 C ATOM 673 CG GLU A 38 -11.784 0.194 -5.715 1.00 0.00 C ATOM 674 CD GLU A 38 -12.578 -0.285 -6.953 1.00 0.00 C ATOM 675 OE1 GLU A 38 -12.334 -1.409 -7.458 1.00 0.00 O ATOM 676 OE2 GLU A 38 -13.449 0.476 -7.441 1.00 0.00 O ATOM 0 H GLU A 38 -11.690 -3.316 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.184 -1.737 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.497 -1.497 -4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.401 -0.456 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.309 1.031 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.811 0.566 -6.036 1.00 0.00 H new ATOM 683 N GLN A 39 -8.926 -2.059 -3.069 1.00 0.00 N ATOM 684 CA GLN A 39 -7.757 -1.811 -2.221 1.00 0.00 C ATOM 685 C GLN A 39 -6.469 -2.376 -2.840 1.00 0.00 C ATOM 686 O GLN A 39 -5.414 -1.746 -2.769 1.00 0.00 O ATOM 687 CB GLN A 39 -8.008 -2.373 -0.814 1.00 0.00 C ATOM 688 CG GLN A 39 -9.185 -1.711 -0.071 1.00 0.00 C ATOM 689 CD GLN A 39 -10.572 -2.202 -0.492 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.741 -3.166 -1.232 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.623 -1.566 -0.033 1.00 0.00 N ATOM 0 H GLN A 39 -9.579 -2.731 -2.666 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.610 -0.734 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.197 -3.444 -0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.103 -2.251 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.064 -1.884 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.134 -0.633 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.504 -0.762 0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.560 -1.875 -0.292 1.00 0.00 H new ATOM 700 N LYS A 40 -6.546 -3.510 -3.548 1.00 0.00 N ATOM 701 CA LYS A 40 -5.408 -4.041 -4.327 1.00 0.00 C ATOM 702 C LYS A 40 -5.099 -3.175 -5.541 1.00 0.00 C ATOM 703 O LYS A 40 -3.932 -2.950 -5.854 1.00 0.00 O ATOM 704 CB LYS A 40 -5.686 -5.483 -4.772 1.00 0.00 C ATOM 705 CG LYS A 40 -5.700 -6.435 -3.569 1.00 0.00 C ATOM 706 CD LYS A 40 -6.794 -7.515 -3.675 1.00 0.00 C ATOM 707 CE LYS A 40 -7.539 -7.665 -2.344 1.00 0.00 C ATOM 708 NZ LYS A 40 -6.738 -8.421 -1.341 1.00 0.00 N ATOM 0 H LYS A 40 -7.388 -4.084 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.535 -4.027 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.645 -5.530 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.924 -5.801 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.727 -6.918 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.852 -5.858 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.498 -7.250 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.345 -8.468 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.778 -6.678 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.486 -8.178 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.277 -8.501 -0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.531 -9.372 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.846 -7.919 -1.159 1.00 0.00 H new ATOM 722 N LYS A 41 -6.135 -2.584 -6.136 1.00 0.00 N ATOM 723 CA LYS A 41 -5.989 -1.558 -7.193 1.00 0.00 C ATOM 724 C LYS A 41 -5.369 -0.231 -6.700 1.00 0.00 C ATOM 725 O LYS A 41 -5.138 0.668 -7.507 1.00 0.00 O ATOM 726 CB LYS A 41 -7.320 -1.338 -7.940 1.00 0.00 C ATOM 727 CG LYS A 41 -7.912 -2.626 -8.542 1.00 0.00 C ATOM 728 CD LYS A 41 -9.363 -2.416 -9.005 1.00 0.00 C ATOM 729 CE LYS A 41 -10.131 -3.743 -8.955 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.592 -3.536 -9.116 1.00 0.00 N ATOM 0 H LYS A 41 -7.105 -2.797 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.264 -1.957 -7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.045 -0.902 -7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.163 -0.613 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.302 -2.948 -9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.877 -3.425 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.853 -1.679 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.375 -2.018 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.768 -4.404 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.936 -4.241 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.095 -4.414 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.906 -2.773 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.799 -3.276 -10.101 1.00 0.00 H new ATOM 744 N ILE A 42 -5.052 -0.120 -5.402 1.00 0.00 N ATOM 745 CA ILE A 42 -4.298 0.984 -4.772 1.00 0.00 C ATOM 746 C ILE A 42 -2.917 0.534 -4.256 1.00 0.00 C ATOM 747 O ILE A 42 -2.010 1.360 -4.192 1.00 0.00 O ATOM 748 CB ILE A 42 -5.157 1.594 -3.643 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.406 2.301 -4.221 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.397 2.576 -2.731 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.621 2.101 -3.315 1.00 0.00 C ATOM 0 H ILE A 42 -5.327 -0.832 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.097 1.744 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.450 0.747 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.205 3.366 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.622 1.910 -5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.072 2.958 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.564 2.060 -2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.017 3.406 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.484 2.609 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.835 1.036 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.412 2.515 -2.329 1.00 0.00 H new ATOM 763 N VAL A 43 -2.723 -0.745 -3.903 1.00 0.00 N ATOM 764 CA VAL A 43 -1.457 -1.259 -3.328 1.00 0.00 C ATOM 765 C VAL A 43 -0.681 -2.134 -4.316 1.00 0.00 C ATOM 766 O VAL A 43 0.440 -1.790 -4.689 1.00 0.00 O ATOM 767 CB VAL A 43 -1.688 -1.985 -1.986 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.352 -2.400 -1.354 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.422 -1.078 -0.991 1.00 0.00 C ATOM 0 H VAL A 43 -3.441 -1.462 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.835 -0.388 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.291 -2.867 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.539 -2.910 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.177 -3.072 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.256 -1.514 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.573 -1.613 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.827 -0.183 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.389 -0.792 -1.405 1.00 0.00 H new ATOM 779 N ALA A 44 -1.273 -3.236 -4.784 1.00 0.00 N ATOM 780 CA ALA A 44 -0.654 -4.144 -5.753 1.00 0.00 C ATOM 781 C ALA A 44 -0.416 -3.454 -7.108 1.00 0.00 C ATOM 782 O ALA A 44 0.637 -3.619 -7.725 1.00 0.00 O ATOM 783 CB ALA A 44 -1.563 -5.371 -5.910 1.00 0.00 C ATOM 0 H ALA A 44 -2.208 -3.526 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 44 0.326 -4.450 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.121 -6.062 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.671 -5.869 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.543 -5.054 -6.267 1.00 0.00 H new ATOM 789 N ASP A 45 -1.369 -2.623 -7.541 1.00 0.00 N ATOM 790 CA ASP A 45 -1.219 -1.801 -8.752 1.00 0.00 C ATOM 791 C ASP A 45 -0.125 -0.721 -8.608 1.00 0.00 C ATOM 792 O ASP A 45 0.654 -0.499 -9.534 1.00 0.00 O ATOM 793 CB ASP A 45 -2.571 -1.172 -9.099 1.00 0.00 C ATOM 794 CG ASP A 45 -2.522 -0.424 -10.442 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.459 0.829 -10.443 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.562 -1.093 -11.503 1.00 0.00 O ATOM 0 H ASP A 45 -2.263 -2.499 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.893 -2.451 -9.564 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.334 -1.950 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.865 -0.482 -8.308 1.00 0.00 H new ATOM 801 N TYR A 46 -0.004 -0.097 -7.432 1.00 0.00 N ATOM 802 CA TYR A 46 0.996 0.937 -7.135 1.00 0.00 C ATOM 803 C TYR A 46 2.420 0.369 -7.021 1.00 0.00 C ATOM 804 O TYR A 46 3.387 0.996 -7.463 1.00 0.00 O ATOM 805 CB TYR A 46 0.547 1.648 -5.854 1.00 0.00 C ATOM 806 CG TYR A 46 1.374 2.814 -5.342 1.00 0.00 C ATOM 807 CD1 TYR A 46 2.094 3.636 -6.228 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.384 3.092 -3.959 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.805 4.741 -5.735 1.00 0.00 C ATOM 810 CE2 TYR A 46 2.100 4.202 -3.458 1.00 0.00 C ATOM 811 CZ TYR A 46 2.819 5.020 -4.352 1.00 0.00 C ATOM 812 OH TYR A 46 3.567 6.044 -3.869 1.00 0.00 O ATOM 0 H TYR A 46 -0.613 -0.301 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 46 1.051 1.647 -7.960 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.469 2.008 -6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.500 0.902 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.100 3.417 -7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.841 2.452 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.344 5.381 -6.418 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.096 4.421 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 46 3.032 6.865 -3.862 1.00 0.00 H new ATOM 822 N ILE A 47 2.557 -0.873 -6.549 1.00 0.00 N ATOM 823 CA ILE A 47 3.802 -1.652 -6.628 1.00 0.00 C ATOM 824 C ILE A 47 4.297 -1.791 -8.078 1.00 0.00 C ATOM 825 O ILE A 47 5.502 -1.786 -8.321 1.00 0.00 O ATOM 826 CB ILE A 47 3.574 -3.028 -5.928 1.00 0.00 C ATOM 827 CG1 ILE A 47 4.319 -3.079 -4.586 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.986 -4.264 -6.751 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.713 -2.197 -3.495 1.00 0.00 C ATOM 0 H ILE A 47 1.796 -1.376 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 47 4.600 -1.126 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 47 2.493 -3.084 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.338 -4.110 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.354 -2.778 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.787 -5.168 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.413 -4.291 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.050 -4.209 -6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.300 -2.293 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.719 -1.157 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.687 -2.511 -3.301 1.00 0.00 H new ATOM 841 N SER A 48 3.384 -1.830 -9.051 1.00 0.00 N ATOM 842 CA SER A 48 3.724 -1.883 -10.481 1.00 0.00 C ATOM 843 C SER A 48 4.223 -0.532 -11.028 1.00 0.00 C ATOM 844 O SER A 48 4.878 -0.491 -12.072 1.00 0.00 O ATOM 845 CB SER A 48 2.522 -2.395 -11.284 1.00 0.00 C ATOM 846 OG SER A 48 2.946 -3.001 -12.496 1.00 0.00 O ATOM 0 H SER A 48 2.380 -1.826 -8.871 1.00 0.00 H new ATOM 0 HA SER A 48 4.555 -2.579 -10.594 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.962 -3.116 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.846 -1.568 -11.503 1.00 0.00 H new ATOM 0 HG SER A 48 2.164 -3.322 -12.992 1.00 0.00 H new ATOM 852 N GLU A 49 3.976 0.579 -10.318 1.00 0.00 N ATOM 853 CA GLU A 49 4.456 1.914 -10.691 1.00 0.00 C ATOM 854 C GLU A 49 5.822 2.209 -10.066 1.00 0.00 C ATOM 855 O GLU A 49 6.715 2.735 -10.737 1.00 0.00 O ATOM 856 CB GLU A 49 3.448 2.983 -10.235 1.00 0.00 C ATOM 857 CG GLU A 49 2.040 2.815 -10.808 1.00 0.00 C ATOM 858 CD GLU A 49 1.997 3.066 -12.329 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.930 4.248 -12.748 1.00 0.00 O ATOM 860 OE2 GLU A 49 2.028 2.092 -13.120 1.00 0.00 O ATOM 0 H GLU A 49 3.429 0.573 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 49 4.558 1.939 -11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.388 2.966 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.827 3.965 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.682 1.807 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.361 3.506 -10.308 1.00 0.00 H new ATOM 867 N VAL A 50 5.981 1.875 -8.779 1.00 0.00 N ATOM 868 CA VAL A 50 7.120 2.320 -7.962 1.00 0.00 C ATOM 869 C VAL A 50 8.121 1.209 -7.643 1.00 0.00 C ATOM 870 O VAL A 50 9.326 1.408 -7.803 1.00 0.00 O ATOM 871 CB VAL A 50 6.581 2.974 -6.686 1.00 0.00 C ATOM 872 CG1 VAL A 50 7.702 3.351 -5.727 1.00 0.00 C ATOM 873 CG2 VAL A 50 5.779 4.223 -7.028 1.00 0.00 C ATOM 0 H VAL A 50 5.321 1.286 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 50 7.687 3.044 -8.547 1.00 0.00 H new ATOM 0 HB VAL A 50 5.939 2.241 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.278 3.812 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.256 2.456 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.376 4.056 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.403 4.676 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.419 4.935 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.940 3.953 -7.670 1.00 0.00 H new ATOM 883 N GLY A 51 7.650 0.052 -7.174 1.00 0.00 N ATOM 884 CA GLY A 51 8.487 -1.146 -7.021 1.00 0.00 C ATOM 885 C GLY A 51 7.980 -2.128 -5.972 1.00 0.00 C ATOM 886 O GLY A 51 7.402 -3.164 -6.296 1.00 0.00 O ATOM 0 H GLY A 51 6.680 -0.084 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.550 -1.657 -7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.499 -0.838 -6.757 1.00 0.00 H new ATOM 890 N LEU A 52 8.273 -1.804 -4.709 1.00 0.00 N ATOM 891 CA LEU A 52 8.016 -2.642 -3.520 1.00 0.00 C ATOM 892 C LEU A 52 8.300 -1.922 -2.197 1.00 0.00 C ATOM 893 O LEU A 52 7.589 -2.077 -1.210 1.00 0.00 O ATOM 894 CB LEU A 52 8.905 -3.906 -3.603 1.00 0.00 C ATOM 895 CG LEU A 52 8.552 -4.933 -2.513 1.00 0.00 C ATOM 896 CD1 LEU A 52 8.397 -6.326 -3.126 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.599 -5.007 -1.400 1.00 0.00 C ATOM 0 H LEU A 52 8.714 -0.916 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 52 6.955 -2.892 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.790 -4.366 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.952 -3.620 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 52 7.614 -4.596 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.147 -7.042 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.601 -6.309 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.332 -6.620 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.293 -5.749 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.562 -5.293 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.689 -4.033 -0.920 1.00 0.00 H new ATOM 909 N ASN A 53 9.376 -1.147 -2.214 1.00 0.00 N ATOM 910 CA ASN A 53 10.007 -0.535 -1.039 1.00 0.00 C ATOM 911 C ASN A 53 10.100 1.007 -1.077 1.00 0.00 C ATOM 912 O ASN A 53 10.433 1.620 -0.061 1.00 0.00 O ATOM 913 CB ASN A 53 11.371 -1.224 -0.817 1.00 0.00 C ATOM 914 CG ASN A 53 12.518 -0.619 -1.613 1.00 0.00 C ATOM 915 OD1 ASN A 53 13.217 0.274 -1.157 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.755 -1.081 -2.821 1.00 0.00 N ATOM 0 H ASN A 53 9.858 -0.914 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 53 9.359 -0.705 -0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.618 -1.180 0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.279 -2.278 -1.079 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.520 -0.694 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.174 -1.826 -3.205 1.00 0.00 H new ATOM 923 N ASN A 54 9.797 1.640 -2.221 1.00 0.00 N ATOM 924 CA ASN A 54 10.001 3.093 -2.430 1.00 0.00 C ATOM 925 C ASN A 54 8.705 3.934 -2.315 1.00 0.00 C ATOM 926 O ASN A 54 8.740 5.160 -2.451 1.00 0.00 O ATOM 927 CB ASN A 54 10.748 3.372 -3.759 1.00 0.00 C ATOM 928 CG ASN A 54 11.642 2.252 -4.267 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.771 2.078 -3.834 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.165 1.447 -5.195 1.00 0.00 N ATOM 0 H ASN A 54 9.403 1.163 -3.032 1.00 0.00 H new ATOM 0 HA ASN A 54 10.633 3.424 -1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.009 3.598 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.357 4.267 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.738 0.681 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.223 1.590 -5.559 1.00 0.00 H new ATOM 937 N LEU A 55 7.558 3.277 -2.114 1.00 0.00 N ATOM 938 CA LEU A 55 6.204 3.841 -2.176 1.00 0.00 C ATOM 939 C LEU A 55 5.879 4.810 -1.030 1.00 0.00 C ATOM 940 O LEU A 55 6.452 4.730 0.059 1.00 0.00 O ATOM 941 CB LEU A 55 5.196 2.680 -2.183 1.00 0.00 C ATOM 942 CG LEU A 55 5.465 1.622 -3.265 1.00 0.00 C ATOM 943 CD1 LEU A 55 5.856 0.299 -2.625 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.251 1.414 -4.150 1.00 0.00 C ATOM 0 H LEU A 55 7.548 2.282 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 55 6.140 4.433 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.208 2.196 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.194 3.084 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 55 6.286 1.986 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.043 -0.440 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.759 0.436 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.047 -0.048 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.475 0.660 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.410 1.080 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.994 2.352 -4.641 1.00 0.00 H new ATOM 956 N ASN A 56 4.900 5.692 -1.251 1.00 0.00 N ATOM 957 CA ASN A 56 4.383 6.605 -0.249 1.00 0.00 C ATOM 958 C ASN A 56 3.298 5.904 0.580 1.00 0.00 C ATOM 959 O ASN A 56 2.158 5.764 0.136 1.00 0.00 O ATOM 960 CB ASN A 56 3.848 7.843 -0.985 1.00 0.00 C ATOM 961 CG ASN A 56 4.929 8.613 -1.719 1.00 0.00 C ATOM 962 OD1 ASN A 56 5.018 8.644 -2.938 1.00 0.00 O ATOM 963 ND2 ASN A 56 5.803 9.260 -0.991 1.00 0.00 N ATOM 0 H ASN A 56 4.439 5.787 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 56 5.159 6.916 0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.084 7.532 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.364 8.504 -0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.552 9.786 -1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.735 9.239 0.026 1.00 0.00 H new ATOM 970 N ALA A 57 3.628 5.520 1.815 1.00 0.00 N ATOM 971 CA ALA A 57 2.658 5.003 2.784 1.00 0.00 C ATOM 972 C ALA A 57 1.527 6.015 3.081 1.00 0.00 C ATOM 973 O ALA A 57 0.409 5.620 3.412 1.00 0.00 O ATOM 974 CB ALA A 57 3.432 4.616 4.046 1.00 0.00 C ATOM 0 H ALA A 57 4.582 5.559 2.174 1.00 0.00 H new ATOM 0 HA ALA A 57 2.153 4.129 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.740 4.226 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.170 3.852 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.939 5.494 4.446 1.00 0.00 H new ATOM 980 N THR A 58 1.797 7.309 2.876 1.00 0.00 N ATOM 981 CA THR A 58 0.828 8.416 2.887 1.00 0.00 C ATOM 982 C THR A 58 -0.286 8.229 1.847 1.00 0.00 C ATOM 983 O THR A 58 -1.461 8.375 2.161 1.00 0.00 O ATOM 984 CB THR A 58 1.571 9.741 2.631 1.00 0.00 C ATOM 985 OG1 THR A 58 2.651 9.870 3.535 1.00 0.00 O ATOM 986 CG2 THR A 58 0.683 10.970 2.792 1.00 0.00 C ATOM 0 H THR A 58 2.746 7.631 2.688 1.00 0.00 H new ATOM 0 HA THR A 58 0.350 8.432 3.866 1.00 0.00 H new ATOM 0 HB THR A 58 1.913 9.699 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.120 10.714 3.366 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.268 11.869 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.145 10.916 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.291 11.005 3.808 1.00 0.00 H new ATOM 994 N GLU A 59 0.039 7.860 0.605 1.00 0.00 N ATOM 995 CA GLU A 59 -0.970 7.566 -0.428 1.00 0.00 C ATOM 996 C GLU A 59 -1.844 6.354 -0.066 1.00 0.00 C ATOM 997 O GLU A 59 -3.056 6.393 -0.280 1.00 0.00 O ATOM 998 CB GLU A 59 -0.319 7.365 -1.809 1.00 0.00 C ATOM 999 CG GLU A 59 0.337 8.646 -2.347 1.00 0.00 C ATOM 1000 CD GLU A 59 0.240 8.757 -3.883 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.887 8.917 -4.413 1.00 0.00 O ATOM 1002 OE2 GLU A 59 1.288 8.739 -4.572 1.00 0.00 O ATOM 0 H GLU A 59 1.002 7.756 0.284 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.623 8.437 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.432 6.578 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.075 7.024 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.140 9.514 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.385 8.666 -2.050 1.00 0.00 H new ATOM 1009 N LEU A 60 -1.270 5.311 0.551 1.00 0.00 N ATOM 1010 CA LEU A 60 -2.047 4.173 1.063 1.00 0.00 C ATOM 1011 C LEU A 60 -3.006 4.586 2.192 1.00 0.00 C ATOM 1012 O LEU A 60 -4.197 4.285 2.120 1.00 0.00 O ATOM 1013 CB LEU A 60 -1.125 3.046 1.552 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.534 2.154 0.451 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.631 2.804 -0.295 1.00 0.00 C ATOM 1016 CD2 LEU A 60 -0.028 0.868 1.103 1.00 0.00 C ATOM 0 H LEU A 60 -0.265 5.232 0.708 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.645 3.807 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.305 3.490 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.684 2.417 2.245 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.323 1.971 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.001 2.120 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.292 3.726 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.432 3.030 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.397 0.216 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.737 1.111 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.857 0.359 1.594 1.00 0.00 H new ATOM 1028 N SER A 61 -2.535 5.307 3.211 1.00 0.00 N ATOM 1029 CA SER A 61 -3.357 5.751 4.349 1.00 0.00 C ATOM 1030 C SER A 61 -4.468 6.733 3.954 1.00 0.00 C ATOM 1031 O SER A 61 -5.502 6.785 4.622 1.00 0.00 O ATOM 1032 CB SER A 61 -2.471 6.344 5.451 1.00 0.00 C ATOM 1033 OG SER A 61 -1.737 7.449 4.969 1.00 0.00 O ATOM 0 H SER A 61 -1.562 5.605 3.274 1.00 0.00 H new ATOM 0 HA SER A 61 -3.861 4.863 4.730 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.090 6.653 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.786 5.581 5.822 1.00 0.00 H new ATOM 0 HG SER A 61 -1.896 7.553 4.008 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.310 7.431 2.822 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.304 8.354 2.234 1.00 0.00 C ATOM 1041 C LYS A 62 -6.395 7.648 1.414 1.00 0.00 C ATOM 1042 O LYS A 62 -7.408 8.271 1.090 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.575 9.396 1.365 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.820 10.442 2.202 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.821 11.251 1.353 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.471 12.119 0.263 1.00 0.00 C ATOM 1047 NZ LYS A 62 -4.258 13.248 0.832 1.00 0.00 N ATOM 0 H LYS A 62 -3.457 7.370 2.266 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.820 8.837 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.871 8.886 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.299 9.902 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.536 11.122 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.287 9.942 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.239 11.894 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.121 10.561 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.696 12.514 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.123 11.498 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.676 13.804 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.015 12.873 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.633 13.857 1.397 1.00 0.00 H new ATOM 1061 N ARG A 63 -6.194 6.371 1.063 1.00 0.00 N ATOM 1062 CA ARG A 63 -7.060 5.590 0.155 1.00 0.00 C ATOM 1063 C ARG A 63 -7.667 4.340 0.809 1.00 0.00 C ATOM 1064 O ARG A 63 -8.856 4.086 0.631 1.00 0.00 O ATOM 1065 CB ARG A 63 -6.235 5.220 -1.085 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.912 6.371 -2.052 1.00 0.00 C ATOM 1067 CD ARG A 63 -7.151 6.846 -2.824 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.776 7.661 -3.998 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.642 8.974 -4.066 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.306 9.538 -5.191 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -6.836 9.751 -3.038 1.00 0.00 N ATOM 0 H ARG A 63 -5.401 5.832 1.411 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.915 6.208 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.296 4.778 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.773 4.449 -1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.493 7.207 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.148 6.046 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.732 5.983 -3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.791 7.430 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.599 7.148 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.146 8.966 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.203 10.551 -5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.102 9.350 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.722 10.760 -3.133 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.885 3.592 1.595 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.351 2.457 2.413 1.00 0.00 C ATOM 1087 C LEU A 64 -7.881 2.899 3.794 1.00 0.00 C ATOM 1088 O LEU A 64 -8.520 2.098 4.477 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.233 1.399 2.563 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.122 0.382 1.413 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.745 1.011 0.075 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -5.061 -0.669 1.748 1.00 0.00 C ATOM 0 H LEU A 64 -5.883 3.760 1.685 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.192 2.007 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.278 1.916 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.396 0.853 3.492 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.114 -0.059 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.685 0.235 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.502 1.742 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.778 1.506 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.988 -1.386 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.097 -0.180 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.342 -1.191 2.663 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.646 4.158 4.199 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.080 4.734 5.482 1.00 0.00 C ATOM 1106 C ASN A 65 -7.516 3.947 6.688 1.00 0.00 C ATOM 1107 O ASN A 65 -8.242 3.329 7.472 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.610 4.946 5.463 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.099 5.877 6.563 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.438 7.029 6.331 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.150 5.420 7.794 1.00 0.00 N ATOM 0 H ASN A 65 -7.132 4.825 3.623 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.650 5.726 5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.902 5.353 4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.106 3.981 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.471 6.025 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.869 4.460 7.994 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.186 3.970 6.803 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.373 3.282 7.822 1.00 0.00 C ATOM 1120 C ILE A 66 -4.403 4.248 8.511 1.00 0.00 C ATOM 1121 O ILE A 66 -4.150 5.356 8.038 1.00 0.00 O ATOM 1122 CB ILE A 66 -4.591 2.079 7.226 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -3.933 2.411 5.869 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -5.494 0.845 7.178 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.103 1.285 5.255 1.00 0.00 C ATOM 0 H ILE A 66 -5.608 4.500 6.150 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.070 2.897 8.567 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.754 1.850 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.715 2.691 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.293 3.284 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.940 0.005 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.823 0.596 8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.363 1.054 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.684 1.618 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.294 1.017 5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.738 0.415 5.087 1.00 0.00 H new ATOM 1137 N THR A 67 -3.818 3.794 9.616 1.00 0.00 N ATOM 1138 CA THR A 67 -2.673 4.428 10.275 1.00 0.00 C ATOM 1139 C THR A 67 -1.455 4.395 9.342 1.00 0.00 C ATOM 1140 O THR A 67 -1.218 3.391 8.667 1.00 0.00 O ATOM 1141 CB THR A 67 -2.418 3.683 11.597 1.00 0.00 C ATOM 1142 OG1 THR A 67 -3.462 3.979 12.500 1.00 0.00 O ATOM 1143 CG2 THR A 67 -1.102 4.028 12.279 1.00 0.00 C ATOM 0 H THR A 67 -4.135 2.950 10.094 1.00 0.00 H new ATOM 0 HA THR A 67 -2.872 5.476 10.497 1.00 0.00 H new ATOM 0 HB THR A 67 -2.372 2.626 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.308 3.507 13.345 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.009 3.455 13.202 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.273 3.783 11.615 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.080 5.093 12.509 1.00 0.00 H new ATOM 1151 N VAL A 68 -0.643 5.459 9.313 1.00 0.00 N ATOM 1152 CA VAL A 68 0.537 5.544 8.421 1.00 0.00 C ATOM 1153 C VAL A 68 1.532 4.414 8.700 1.00 0.00 C ATOM 1154 O VAL A 68 2.086 3.822 7.779 1.00 0.00 O ATOM 1155 CB VAL A 68 1.244 6.914 8.531 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.292 7.086 7.421 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.264 8.092 8.423 1.00 0.00 C ATOM 0 H VAL A 68 -0.777 6.283 9.899 1.00 0.00 H new ATOM 0 HA VAL A 68 0.167 5.435 7.402 1.00 0.00 H new ATOM 0 HB VAL A 68 1.714 6.923 9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.774 8.059 7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.042 6.299 7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.805 7.022 6.448 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.812 9.030 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.246 8.054 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.471 8.029 9.225 1.00 0.00 H new ATOM 1167 N ASP A 69 1.698 4.035 9.966 1.00 0.00 N ATOM 1168 CA ASP A 69 2.581 2.935 10.368 1.00 0.00 C ATOM 1169 C ASP A 69 2.029 1.546 10.012 1.00 0.00 C ATOM 1170 O ASP A 69 2.804 0.644 9.686 1.00 0.00 O ATOM 1171 CB ASP A 69 2.905 3.062 11.861 1.00 0.00 C ATOM 1172 CG ASP A 69 4.029 2.101 12.286 1.00 0.00 C ATOM 1173 OD1 ASP A 69 5.193 2.325 11.873 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.755 1.146 13.050 1.00 0.00 O ATOM 0 H ASP A 69 1.222 4.484 10.749 1.00 0.00 H new ATOM 0 HA ASP A 69 3.503 3.023 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.200 4.087 12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.009 2.855 12.446 1.00 0.00 H new ATOM 1179 N LYS A 70 0.696 1.389 9.955 1.00 0.00 N ATOM 1180 CA LYS A 70 0.068 0.191 9.388 1.00 0.00 C ATOM 1181 C LYS A 70 0.346 0.099 7.895 1.00 0.00 C ATOM 1182 O LYS A 70 0.698 -0.976 7.432 1.00 0.00 O ATOM 1183 CB LYS A 70 -1.444 0.153 9.684 1.00 0.00 C ATOM 1184 CG LYS A 70 -1.786 -0.184 11.145 1.00 0.00 C ATOM 1185 CD LYS A 70 -1.593 -1.676 11.448 1.00 0.00 C ATOM 1186 CE LYS A 70 -2.002 -1.992 12.892 1.00 0.00 C ATOM 1187 NZ LYS A 70 -1.858 -3.442 13.194 1.00 0.00 N ATOM 0 H LYS A 70 0.032 2.083 10.298 1.00 0.00 H new ATOM 0 HA LYS A 70 0.510 -0.682 9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.877 1.121 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.913 -0.584 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.156 0.406 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.819 0.098 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.188 -2.273 10.757 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.550 -1.952 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.387 -1.413 13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.036 -1.686 13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.143 -3.622 14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.464 -3.992 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.866 -3.727 13.063 1.00 0.00 H new ATOM 1201 N ALA A 71 0.309 1.212 7.163 1.00 0.00 N ATOM 1202 CA ALA A 71 0.628 1.232 5.731 1.00 0.00 C ATOM 1203 C ALA A 71 2.109 0.887 5.487 1.00 0.00 C ATOM 1204 O ALA A 71 2.418 -0.007 4.698 1.00 0.00 O ATOM 1205 CB ALA A 71 0.249 2.606 5.157 1.00 0.00 C ATOM 0 H ALA A 71 0.058 2.125 7.543 1.00 0.00 H new ATOM 0 HA ALA A 71 0.048 0.467 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.482 2.632 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.818 2.778 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.814 3.384 5.671 1.00 0.00 H new ATOM 1211 N LYS A 72 3.018 1.525 6.237 1.00 0.00 N ATOM 1212 CA LYS A 72 4.478 1.314 6.177 1.00 0.00 C ATOM 1213 C LYS A 72 4.879 -0.148 6.391 1.00 0.00 C ATOM 1214 O LYS A 72 5.791 -0.620 5.710 1.00 0.00 O ATOM 1215 CB LYS A 72 5.173 2.189 7.238 1.00 0.00 C ATOM 1216 CG LYS A 72 5.261 3.677 6.865 1.00 0.00 C ATOM 1217 CD LYS A 72 5.652 4.593 8.037 1.00 0.00 C ATOM 1218 CE LYS A 72 6.887 4.102 8.804 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.328 5.083 9.829 1.00 0.00 N ATOM 0 H LYS A 72 2.752 2.227 6.927 1.00 0.00 H new ATOM 0 HA LYS A 72 4.797 1.596 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.635 2.093 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.180 1.807 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.990 3.798 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.298 4.000 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.844 5.596 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.811 4.669 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.661 3.151 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.701 3.919 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.164 4.714 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.568 5.983 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.560 5.239 10.513 1.00 0.00 H new ATOM 1233 N THR A 73 4.213 -0.871 7.297 1.00 0.00 N ATOM 1234 CA THR A 73 4.521 -2.293 7.555 1.00 0.00 C ATOM 1235 C THR A 73 3.736 -3.250 6.649 1.00 0.00 C ATOM 1236 O THR A 73 4.280 -4.257 6.189 1.00 0.00 O ATOM 1237 CB THR A 73 4.383 -2.623 9.054 1.00 0.00 C ATOM 1238 OG1 THR A 73 5.121 -3.789 9.338 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.952 -2.855 9.536 1.00 0.00 C ATOM 0 H THR A 73 3.454 -0.499 7.868 1.00 0.00 H new ATOM 0 HA THR A 73 5.565 -2.453 7.287 1.00 0.00 H new ATOM 0 HB THR A 73 4.755 -1.743 9.578 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.039 -4.004 10.291 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.959 -3.080 10.602 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.358 -1.958 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.516 -3.692 8.991 1.00 0.00 H new ATOM 1247 N TYR A 74 2.487 -2.918 6.305 1.00 0.00 N ATOM 1248 CA TYR A 74 1.621 -3.716 5.431 1.00 0.00 C ATOM 1249 C TYR A 74 2.166 -3.837 3.998 1.00 0.00 C ATOM 1250 O TYR A 74 2.076 -4.913 3.404 1.00 0.00 O ATOM 1251 CB TYR A 74 0.217 -3.098 5.446 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.748 -3.748 4.488 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.336 -4.985 4.809 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.007 -3.131 3.252 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -2.145 -5.638 3.863 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.812 -3.781 2.306 1.00 0.00 C ATOM 1257 CZ TYR A 74 -2.352 -5.053 2.594 1.00 0.00 C ATOM 1258 OH TYR A 74 -3.021 -5.740 1.632 1.00 0.00 O ATOM 0 H TYR A 74 2.039 -2.064 6.636 1.00 0.00 H new ATOM 0 HA TYR A 74 1.586 -4.736 5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.188 -3.166 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.295 -2.038 5.204 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.167 -5.431 5.778 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.588 -2.160 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.607 -6.584 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.019 -3.309 1.357 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.077 -5.195 0.820 1.00 0.00 H new ATOM 1268 N ILE A 75 2.819 -2.785 3.480 1.00 0.00 N ATOM 1269 CA ILE A 75 3.521 -2.787 2.181 1.00 0.00 C ATOM 1270 C ILE A 75 4.479 -3.985 2.042 1.00 0.00 C ATOM 1271 O ILE A 75 4.586 -4.557 0.960 1.00 0.00 O ATOM 1272 CB ILE A 75 4.261 -1.434 1.997 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.251 -0.337 1.597 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.379 -1.496 0.941 1.00 0.00 C ATOM 1275 CD1 ILE A 75 3.783 1.094 1.778 1.00 0.00 C ATOM 0 H ILE A 75 2.877 -1.888 3.961 1.00 0.00 H new ATOM 0 HA ILE A 75 2.783 -2.899 1.386 1.00 0.00 H new ATOM 0 HB ILE A 75 4.729 -1.202 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.968 -0.480 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.346 -0.456 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.857 -0.520 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.119 -2.239 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.954 -1.773 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.017 1.808 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.039 1.257 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.671 1.233 1.161 1.00 0.00 H new ATOM 1287 N LYS A 76 5.145 -4.401 3.126 1.00 0.00 N ATOM 1288 CA LYS A 76 6.000 -5.601 3.157 1.00 0.00 C ATOM 1289 C LYS A 76 5.250 -6.847 3.596 1.00 0.00 C ATOM 1290 O LYS A 76 5.400 -7.893 2.975 1.00 0.00 O ATOM 1291 CB LYS A 76 7.204 -5.346 4.076 1.00 0.00 C ATOM 1292 CG LYS A 76 8.234 -4.443 3.386 1.00 0.00 C ATOM 1293 CD LYS A 76 9.222 -3.794 4.370 1.00 0.00 C ATOM 1294 CE LYS A 76 8.566 -2.734 5.274 1.00 0.00 C ATOM 1295 NZ LYS A 76 8.189 -1.507 4.520 1.00 0.00 N ATOM 0 H LYS A 76 5.107 -3.910 4.019 1.00 0.00 H new ATOM 0 HA LYS A 76 6.341 -5.789 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.868 -4.880 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.668 -6.294 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.791 -5.029 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.712 -3.660 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.667 -4.570 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.034 -3.332 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.678 -3.158 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.253 -2.468 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.237 -1.202 4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.872 -0.750 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.194 -1.711 3.500 1.00 0.00 H new ATOM 1309 N ASN A 77 4.425 -6.755 4.635 1.00 0.00 N ATOM 1310 CA ASN A 77 3.792 -7.940 5.219 1.00 0.00 C ATOM 1311 C ASN A 77 2.751 -8.599 4.287 1.00 0.00 C ATOM 1312 O ASN A 77 2.504 -9.801 4.400 1.00 0.00 O ATOM 1313 CB ASN A 77 3.210 -7.598 6.602 1.00 0.00 C ATOM 1314 CG ASN A 77 4.276 -7.595 7.687 1.00 0.00 C ATOM 1315 OD1 ASN A 77 4.511 -8.591 8.359 1.00 0.00 O ATOM 1316 ND2 ASN A 77 4.969 -6.500 7.883 1.00 0.00 N ATOM 0 H ASN A 77 4.178 -5.877 5.091 1.00 0.00 H new ATOM 0 HA ASN A 77 4.567 -8.696 5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.732 -6.619 6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.435 -8.321 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.701 -6.480 8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.776 -5.668 7.325 1.00 0.00 H new ATOM 1420 N THR A 84 3.244 -13.310 -3.590 1.00 0.00 N ATOM 1421 CA THR A 84 3.651 -14.288 -2.559 1.00 0.00 C ATOM 1422 C THR A 84 4.650 -15.346 -3.065 1.00 0.00 C ATOM 1423 O THR A 84 4.631 -16.498 -2.630 1.00 0.00 O ATOM 1424 CB THR A 84 2.430 -14.901 -1.831 1.00 0.00 C ATOM 1425 OG1 THR A 84 1.342 -13.994 -1.785 1.00 0.00 O ATOM 1426 CG2 THR A 84 2.761 -15.225 -0.372 1.00 0.00 C ATOM 0 HA THR A 84 4.209 -13.722 -1.813 1.00 0.00 H new ATOM 0 HB THR A 84 2.172 -15.799 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.498 -13.264 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.884 -15.654 0.113 1.00 0.00 H new ATOM 0 HG22 THR A 84 3.583 -15.940 -0.336 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.052 -14.312 0.147 1.00 0.00 H new ATOM 1434 N ASN A 85 5.498 -14.978 -4.039 1.00 0.00 N ATOM 1435 CA ASN A 85 6.420 -15.854 -4.781 1.00 0.00 C ATOM 1436 C ASN A 85 5.761 -17.058 -5.507 1.00 0.00 C ATOM 1437 O ASN A 85 6.458 -17.896 -6.069 1.00 0.00 O ATOM 1438 CB ASN A 85 7.600 -16.205 -3.842 1.00 0.00 C ATOM 1439 CG ASN A 85 8.729 -16.986 -4.495 1.00 0.00 C ATOM 1440 OD1 ASN A 85 8.932 -18.164 -4.228 1.00 0.00 O ATOM 1441 ND2 ASN A 85 9.510 -16.361 -5.348 1.00 0.00 N ATOM 0 H ASN A 85 5.562 -14.008 -4.347 1.00 0.00 H new ATOM 0 HA ASN A 85 6.806 -15.309 -5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.007 -15.280 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.216 -16.784 -3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.285 -16.857 -5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.341 -15.380 -5.570 1.00 0.00 H new ATOM 1448 N ASN A 86 4.426 -17.151 -5.563 1.00 0.00 N ATOM 1449 CA ASN A 86 3.707 -18.316 -6.108 1.00 0.00 C ATOM 1450 C ASN A 86 3.670 -18.363 -7.656 1.00 0.00 C ATOM 1451 O ASN A 86 3.361 -19.396 -8.248 1.00 0.00 O ATOM 1452 CB ASN A 86 2.316 -18.409 -5.440 1.00 0.00 C ATOM 1453 CG ASN A 86 1.178 -17.907 -6.313 1.00 0.00 C ATOM 1454 OD1 ASN A 86 0.330 -18.657 -6.774 1.00 0.00 O ATOM 1455 ND2 ASN A 86 1.137 -16.625 -6.581 1.00 0.00 N ATOM 0 H ASN A 86 3.806 -16.413 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 86 4.267 -19.216 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.123 -19.447 -5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.330 -17.835 -4.513 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.397 -16.252 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.845 -16.000 -6.196 1.00 0.00 H new ATOM 1462 N PHE A 87 4.043 -17.263 -8.318 1.00 0.00 N ATOM 1463 CA PHE A 87 4.026 -17.055 -9.778 1.00 0.00 C ATOM 1464 C PHE A 87 5.122 -17.827 -10.559 1.00 0.00 C ATOM 1465 O PHE A 87 5.381 -17.558 -11.733 1.00 0.00 O ATOM 1466 CB PHE A 87 4.086 -15.537 -10.030 1.00 0.00 C ATOM 1467 CG PHE A 87 5.433 -14.891 -9.745 1.00 0.00 C ATOM 1468 CD1 PHE A 87 6.353 -14.693 -10.794 1.00 0.00 C ATOM 1469 CD2 PHE A 87 5.774 -14.483 -8.439 1.00 0.00 C ATOM 1470 CE1 PHE A 87 7.609 -14.114 -10.537 1.00 0.00 C ATOM 1471 CE2 PHE A 87 7.023 -13.889 -8.186 1.00 0.00 C ATOM 1472 CZ PHE A 87 7.943 -13.710 -9.232 1.00 0.00 C ATOM 0 H PHE A 87 4.387 -16.441 -7.822 1.00 0.00 H new ATOM 0 HA PHE A 87 3.102 -17.479 -10.172 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.821 -15.346 -11.070 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.329 -15.051 -9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.093 -14.987 -11.800 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.073 -14.627 -7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.317 -13.980 -11.342 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.275 -13.570 -7.186 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.906 -13.263 -9.034 1.00 0.00 H new ATOM 1482 N LYS A 88 5.780 -18.789 -9.901 1.00 0.00 N ATOM 1483 CA LYS A 88 7.009 -19.492 -10.320 1.00 0.00 C ATOM 1484 C LYS A 88 6.769 -20.779 -11.115 1.00 0.00 C ATOM 1485 O LYS A 88 7.719 -21.409 -11.580 1.00 0.00 O ATOM 1486 CB LYS A 88 7.858 -19.755 -9.065 1.00 0.00 C ATOM 1487 CG LYS A 88 7.130 -20.546 -7.959 1.00 0.00 C ATOM 1488 CD LYS A 88 7.977 -20.622 -6.683 1.00 0.00 C ATOM 1489 CE LYS A 88 7.079 -20.899 -5.470 1.00 0.00 C ATOM 1490 NZ LYS A 88 7.860 -20.827 -4.209 1.00 0.00 N ATOM 0 H LYS A 88 5.448 -19.124 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 88 7.537 -18.846 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.755 -20.302 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.186 -18.799 -8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.175 -20.070 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.910 -21.553 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.724 -21.410 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.517 -19.686 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.265 -20.174 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.624 -21.885 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.230 -21.001 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.611 -21.547 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.287 -19.883 -4.119 1.00 0.00 H new ATOM 1504 N THR A 89 5.501 -21.154 -11.255 1.00 0.00 N ATOM 1505 CA THR A 89 5.035 -22.416 -11.838 1.00 0.00 C ATOM 1506 C THR A 89 3.822 -22.171 -12.735 1.00 0.00 C ATOM 1507 O THR A 89 3.805 -22.593 -13.892 1.00 0.00 O ATOM 1508 CB THR A 89 4.688 -23.384 -10.693 1.00 0.00 C ATOM 1509 OG1 THR A 89 5.846 -23.691 -9.944 1.00 0.00 O ATOM 1510 CG2 THR A 89 4.110 -24.695 -11.195 1.00 0.00 C ATOM 0 H THR A 89 4.730 -20.560 -10.951 1.00 0.00 H new ATOM 0 HA THR A 89 5.818 -22.854 -12.457 1.00 0.00 H new ATOM 0 HB THR A 89 3.942 -22.877 -10.081 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.612 -24.306 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.883 -25.341 -10.347 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.197 -24.499 -11.756 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.835 -25.188 -11.843 1.00 0.00 H new ATOM 1518 N ILE A 90 2.825 -21.440 -12.226 1.00 0.00 N ATOM 1519 CA ILE A 90 1.625 -21.040 -12.969 1.00 0.00 C ATOM 1520 C ILE A 90 1.941 -19.988 -14.043 1.00 0.00 C ATOM 1521 O ILE A 90 3.008 -19.374 -14.025 1.00 0.00 O ATOM 1522 CB ILE A 90 0.524 -20.576 -11.995 1.00 0.00 C ATOM 1523 CG1 ILE A 90 0.964 -19.375 -11.130 1.00 0.00 C ATOM 1524 CG2 ILE A 90 0.058 -21.772 -11.143 1.00 0.00 C ATOM 1525 CD1 ILE A 90 -0.202 -18.751 -10.362 1.00 0.00 C ATOM 0 H ILE A 90 2.830 -21.102 -11.264 1.00 0.00 H new ATOM 0 HA ILE A 90 1.247 -21.911 -13.505 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.321 -20.213 -12.579 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.728 -19.700 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.421 -18.619 -11.769 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.721 -21.446 -10.453 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.337 -22.551 -11.795 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.902 -22.166 -10.577 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.161 -17.911 -9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.955 -18.399 -11.067 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.643 -19.497 -9.701 1.00 0.00 H new ATOM 1537 N LYS A 91 1.011 -19.778 -14.984 1.00 0.00 N ATOM 1538 CA LYS A 91 1.080 -18.826 -16.116 1.00 0.00 C ATOM 1539 C LYS A 91 2.162 -19.104 -17.179 1.00 0.00 C ATOM 1540 O LYS A 91 2.129 -18.472 -18.235 1.00 0.00 O ATOM 1541 CB LYS A 91 1.169 -17.368 -15.595 1.00 0.00 C ATOM 1542 CG LYS A 91 0.143 -16.921 -14.530 1.00 0.00 C ATOM 1543 CD LYS A 91 -1.205 -16.421 -15.076 1.00 0.00 C ATOM 1544 CE LYS A 91 -2.024 -17.502 -15.794 1.00 0.00 C ATOM 1545 NZ LYS A 91 -3.370 -16.998 -16.175 1.00 0.00 N ATOM 0 H LYS A 91 0.133 -20.297 -14.981 1.00 0.00 H new ATOM 0 HA LYS A 91 0.145 -18.979 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.167 -17.220 -15.182 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.076 -16.700 -16.451 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.045 -17.759 -13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.590 -16.127 -13.932 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.794 -16.021 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.023 -15.598 -15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.491 -17.832 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.129 -18.372 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.899 -17.752 -16.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.886 -16.706 -15.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.268 -16.183 -16.813 1.00 0.00 H new ATOM 1559 N MET A 92 3.093 -20.041 -16.952 1.00 0.00 N ATOM 1560 CA MET A 92 4.220 -20.316 -17.862 1.00 0.00 C ATOM 1561 C MET A 92 3.941 -21.433 -18.881 1.00 0.00 C ATOM 1562 O MET A 92 4.351 -21.316 -20.038 1.00 0.00 O ATOM 1563 CB MET A 92 5.485 -20.662 -17.061 1.00 0.00 C ATOM 1564 CG MET A 92 5.927 -19.541 -16.112 1.00 0.00 C ATOM 1565 SD MET A 92 7.630 -19.687 -15.497 1.00 0.00 S ATOM 1566 CE MET A 92 7.592 -21.360 -14.797 1.00 0.00 C ATOM 0 H MET A 92 3.087 -20.637 -16.124 1.00 0.00 H new ATOM 0 HA MET A 92 4.367 -19.399 -18.432 1.00 0.00 H new ATOM 0 HB2 MET A 92 5.304 -21.568 -16.483 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.297 -20.883 -17.754 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.823 -18.586 -16.627 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.249 -19.518 -15.259 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.518 -21.548 -14.254 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.747 -21.450 -14.115 1.00 0.00 H new ATOM 0 HE3 MET A 92 7.488 -22.089 -15.601 1.00 0.00 H new ATOM 1576 N PHE A 93 3.257 -22.508 -18.466 1.00 0.00 N ATOM 1577 CA PHE A 93 3.022 -23.714 -19.283 1.00 0.00 C ATOM 1578 C PHE A 93 1.532 -24.042 -19.517 1.00 0.00 C ATOM 1579 O PHE A 93 1.203 -25.041 -20.161 1.00 0.00 O ATOM 1580 CB PHE A 93 3.792 -24.901 -18.673 1.00 0.00 C ATOM 1581 CG PHE A 93 3.170 -25.522 -17.431 1.00 0.00 C ATOM 1582 CD1 PHE A 93 2.321 -26.640 -17.551 1.00 0.00 C ATOM 1583 CD2 PHE A 93 3.453 -25.001 -16.154 1.00 0.00 C ATOM 1584 CE1 PHE A 93 1.751 -27.227 -16.407 1.00 0.00 C ATOM 1585 CE2 PHE A 93 2.884 -25.590 -15.009 1.00 0.00 C ATOM 1586 CZ PHE A 93 2.032 -26.700 -15.134 1.00 0.00 C ATOM 0 H PHE A 93 2.842 -22.568 -17.536 1.00 0.00 H new ATOM 0 HA PHE A 93 3.405 -23.507 -20.282 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.891 -25.676 -19.433 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.800 -24.568 -18.425 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.107 -27.049 -18.527 1.00 0.00 H new ATOM 0 HD2 PHE A 93 4.108 -24.148 -16.053 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.098 -28.082 -16.506 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.103 -25.187 -14.031 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.594 -27.148 -14.254 1.00 0.00 H new ATOM 1596 N GLU A 94 0.621 -23.220 -18.990 1.00 0.00 N ATOM 1597 CA GLU A 94 -0.829 -23.440 -19.048 1.00 0.00 C ATOM 1598 C GLU A 94 -1.408 -22.977 -20.399 1.00 0.00 C ATOM 1599 O GLU A 94 -1.493 -21.779 -20.679 1.00 0.00 O ATOM 1600 CB GLU A 94 -1.511 -22.728 -17.865 1.00 0.00 C ATOM 1601 CG GLU A 94 -1.081 -23.295 -16.505 1.00 0.00 C ATOM 1602 CD GLU A 94 -1.773 -22.538 -15.357 1.00 0.00 C ATOM 1603 OE1 GLU A 94 -2.815 -23.015 -14.845 1.00 0.00 O ATOM 1604 OE2 GLU A 94 -1.270 -21.457 -14.967 1.00 0.00 O ATOM 0 H GLU A 94 0.876 -22.363 -18.499 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.027 -24.509 -18.967 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.275 -21.664 -17.902 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.593 -22.819 -17.966 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.331 -24.355 -16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.001 -23.217 -16.399 1.00 0.00 H new