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 36 SER OG : rot -41:sc= 0.466 USER MOD Set 1.2: A 39 GLN : amide:sc= 1.23 K(o=1.7,f=-5.4!) USER MOD Single : A 40 LYS NZ :NH3+ -107:sc= 0.576 (180deg=-0.00265) USER MOD Single : A 41 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.139) USER MOD Single : A 46 TYR OH : rot -31:sc= 1.25 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 54 ASN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0974 K(o=-0.097,f=-8.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -71:sc= 1.17 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.473 X(o=0.47,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 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0.865 (180deg=0.794) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 31:sc= 0.0398 USER MOD Single : A 85 ASN : amide:sc= 0.576 K(o=0.58,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.06) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=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 -177:sc= -0.0106 (180deg=-0.0254) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.731 -5.882 2.586 1.00 0.00 N ATOM 624 CA LEU A 35 -8.749 -5.809 1.133 1.00 0.00 C ATOM 625 C LEU A 35 -9.997 -6.516 0.599 1.00 0.00 C ATOM 626 O LEU A 35 -10.140 -7.736 0.717 1.00 0.00 O ATOM 627 CB LEU A 35 -7.463 -6.456 0.574 1.00 0.00 C ATOM 628 CG LEU A 35 -6.316 -5.472 0.310 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.821 -4.723 1.548 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.145 -6.218 -0.322 1.00 0.00 C ATOM 0 HA LEU A 35 -8.782 -4.768 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.119 -7.215 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.705 -6.970 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.722 -4.715 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.011 -4.051 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.640 -4.145 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.459 -5.439 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.329 -5.521 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.804 -7.001 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.464 -6.666 -1.263 1.00 0.00 H new ATOM 642 N SER A 36 -10.870 -5.737 -0.029 1.00 0.00 N ATOM 643 CA SER A 36 -12.012 -6.226 -0.815 1.00 0.00 C ATOM 644 C SER A 36 -11.696 -6.260 -2.305 1.00 0.00 C ATOM 645 O SER A 36 -11.508 -7.327 -2.890 1.00 0.00 O ATOM 646 CB SER A 36 -13.317 -5.494 -0.457 1.00 0.00 C ATOM 647 OG SER A 36 -13.326 -4.130 -0.853 1.00 0.00 O ATOM 0 H SER A 36 -10.807 -4.719 -0.009 1.00 0.00 H new ATOM 0 HA SER A 36 -12.192 -7.264 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.154 -6.007 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.474 -5.553 0.620 1.00 0.00 H new ATOM 0 HG SER A 36 -12.451 -3.730 -0.668 1.00 0.00 H new ATOM 653 N GLU A 37 -11.606 -5.086 -2.913 1.00 0.00 N ATOM 654 CA GLU A 37 -11.554 -4.904 -4.365 1.00 0.00 C ATOM 655 C GLU A 37 -11.057 -3.510 -4.741 1.00 0.00 C ATOM 656 O GLU A 37 -10.314 -3.359 -5.705 1.00 0.00 O ATOM 657 CB GLU A 37 -12.979 -5.146 -4.909 1.00 0.00 C ATOM 658 CG GLU A 37 -13.041 -6.271 -5.943 1.00 0.00 C ATOM 659 CD GLU A 37 -12.409 -5.878 -7.291 1.00 0.00 C ATOM 660 OE1 GLU A 37 -11.255 -6.285 -7.566 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.069 -5.169 -8.090 1.00 0.00 O ATOM 0 H GLU A 37 -11.566 -4.206 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.848 -5.609 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.643 -5.386 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.351 -4.226 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.529 -7.149 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.081 -6.554 -6.103 1.00 0.00 H new ATOM 668 N GLU A 38 -11.391 -2.494 -3.945 1.00 0.00 N ATOM 669 CA GLU A 38 -10.866 -1.139 -4.126 1.00 0.00 C ATOM 670 C GLU A 38 -9.438 -1.004 -3.573 1.00 0.00 C ATOM 671 O GLU A 38 -8.624 -0.284 -4.145 1.00 0.00 O ATOM 672 CB GLU A 38 -11.846 -0.143 -3.485 1.00 0.00 C ATOM 673 CG GLU A 38 -11.548 1.309 -3.877 1.00 0.00 C ATOM 674 CD GLU A 38 -12.690 2.241 -3.429 1.00 0.00 C ATOM 675 OE1 GLU A 38 -12.660 2.740 -2.278 1.00 0.00 O ATOM 676 OE2 GLU A 38 -13.628 2.486 -4.228 1.00 0.00 O ATOM 0 H GLU A 38 -12.032 -2.586 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.787 -0.915 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.863 -0.395 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.800 -0.240 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.611 1.629 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.417 1.380 -4.957 1.00 0.00 H new ATOM 683 N GLN A 39 -9.090 -1.729 -2.501 1.00 0.00 N ATOM 684 CA GLN A 39 -7.827 -1.516 -1.771 1.00 0.00 C ATOM 685 C GLN A 39 -6.613 -2.068 -2.525 1.00 0.00 C ATOM 686 O GLN A 39 -5.567 -1.424 -2.608 1.00 0.00 O ATOM 687 CB GLN A 39 -7.925 -2.127 -0.368 1.00 0.00 C ATOM 688 CG GLN A 39 -8.972 -1.434 0.522 1.00 0.00 C ATOM 689 CD GLN A 39 -10.404 -1.874 0.254 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.672 -2.861 -0.419 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.372 -1.139 0.750 1.00 0.00 N ATOM 0 H GLN A 39 -9.669 -2.475 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.674 -0.440 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.174 -3.184 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.950 -2.069 0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.732 -1.631 1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.901 -0.356 0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.151 -0.316 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.345 -1.391 0.574 1.00 0.00 H new ATOM 700 N LYS A 40 -6.764 -3.231 -3.165 1.00 0.00 N ATOM 701 CA LYS A 40 -5.740 -3.803 -4.052 1.00 0.00 C ATOM 702 C LYS A 40 -5.545 -2.976 -5.330 1.00 0.00 C ATOM 703 O LYS A 40 -4.417 -2.869 -5.804 1.00 0.00 O ATOM 704 CB LYS A 40 -6.051 -5.287 -4.303 1.00 0.00 C ATOM 705 CG LYS A 40 -7.363 -5.501 -5.077 1.00 0.00 C ATOM 706 CD LYS A 40 -7.911 -6.935 -4.974 1.00 0.00 C ATOM 707 CE LYS A 40 -8.276 -7.354 -3.534 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.972 -8.668 -3.514 1.00 0.00 N ATOM 0 H LYS A 40 -7.602 -3.807 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.770 -3.756 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.229 -5.736 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.110 -5.807 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.114 -4.806 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.200 -5.258 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.796 -7.023 -5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.168 -7.628 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.371 -7.410 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.915 -6.595 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.981 -8.523 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.872 -9.128 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.551 -9.273 -2.780 1.00 0.00 H new ATOM 722 N LYS A 41 -6.583 -2.270 -5.804 1.00 0.00 N ATOM 723 CA LYS A 41 -6.470 -1.246 -6.874 1.00 0.00 C ATOM 724 C LYS A 41 -5.685 0.015 -6.478 1.00 0.00 C ATOM 725 O LYS A 41 -5.390 0.836 -7.345 1.00 0.00 O ATOM 726 CB LYS A 41 -7.856 -0.882 -7.438 1.00 0.00 C ATOM 727 CG LYS A 41 -8.513 -2.080 -8.130 1.00 0.00 C ATOM 728 CD LYS A 41 -9.949 -1.754 -8.564 1.00 0.00 C ATOM 729 CE LYS A 41 -10.641 -3.054 -8.984 1.00 0.00 C ATOM 730 NZ LYS A 41 -12.085 -2.853 -9.253 1.00 0.00 N ATOM 0 H LYS A 41 -7.535 -2.389 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.874 -1.716 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.498 -0.530 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.757 -0.060 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.924 -2.368 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.520 -2.935 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.494 -1.283 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.942 -1.045 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.158 -3.450 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.519 -3.800 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.623 -3.661 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.406 -1.979 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.240 -2.778 -10.279 1.00 0.00 H new ATOM 744 N ILE A 42 -5.302 0.154 -5.207 1.00 0.00 N ATOM 745 CA ILE A 42 -4.388 1.196 -4.709 1.00 0.00 C ATOM 746 C ILE A 42 -2.976 0.634 -4.494 1.00 0.00 C ATOM 747 O ILE A 42 -2.008 1.307 -4.839 1.00 0.00 O ATOM 748 CB ILE A 42 -4.992 1.835 -3.440 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.275 2.614 -3.819 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.025 2.762 -2.679 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.353 2.457 -2.751 1.00 0.00 C ATOM 0 H ILE A 42 -5.627 -0.472 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.278 1.984 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.218 1.014 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.038 3.670 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.653 2.254 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.527 3.170 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.149 2.195 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.715 3.578 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.241 3.015 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.607 1.403 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.982 2.841 -1.801 1.00 0.00 H new ATOM 763 N VAL A 43 -2.836 -0.595 -3.976 1.00 0.00 N ATOM 764 CA VAL A 43 -1.526 -1.181 -3.622 1.00 0.00 C ATOM 765 C VAL A 43 -0.887 -1.963 -4.771 1.00 0.00 C ATOM 766 O VAL A 43 0.245 -1.663 -5.150 1.00 0.00 O ATOM 767 CB VAL A 43 -1.607 -2.052 -2.353 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.209 -2.529 -1.932 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.216 -1.256 -1.194 1.00 0.00 C ATOM 0 H VAL A 43 -3.625 -1.214 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.875 -0.332 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.235 -2.912 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.289 -3.142 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.232 -3.118 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.424 -1.665 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.266 -1.886 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.596 -0.384 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.220 -0.930 -1.464 1.00 0.00 H new ATOM 779 N ALA A 44 -1.585 -2.938 -5.361 1.00 0.00 N ATOM 780 CA ALA A 44 -1.039 -3.732 -6.467 1.00 0.00 C ATOM 781 C ALA A 44 -0.775 -2.850 -7.702 1.00 0.00 C ATOM 782 O ALA A 44 0.246 -2.998 -8.373 1.00 0.00 O ATOM 783 CB ALA A 44 -1.993 -4.893 -6.778 1.00 0.00 C ATOM 0 H ALA A 44 -2.533 -3.198 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.076 -4.150 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.590 -5.485 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.099 -5.523 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.968 -4.497 -7.061 1.00 0.00 H new ATOM 789 N ASP A 45 -1.639 -1.854 -7.931 1.00 0.00 N ATOM 790 CA ASP A 45 -1.415 -0.794 -8.926 1.00 0.00 C ATOM 791 C ASP A 45 -0.130 0.030 -8.677 1.00 0.00 C ATOM 792 O ASP A 45 0.542 0.422 -9.632 1.00 0.00 O ATOM 793 CB ASP A 45 -2.645 0.118 -8.941 1.00 0.00 C ATOM 794 CG ASP A 45 -2.581 1.152 -10.077 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.763 0.763 -11.256 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.371 2.357 -9.796 1.00 0.00 O ATOM 0 H ASP A 45 -2.521 -1.759 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.269 -1.271 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.544 -0.488 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.725 0.635 -7.985 1.00 0.00 H new ATOM 801 N TYR A 46 0.267 0.248 -7.415 1.00 0.00 N ATOM 802 CA TYR A 46 1.510 0.951 -7.057 1.00 0.00 C ATOM 803 C TYR A 46 2.751 0.066 -7.279 1.00 0.00 C ATOM 804 O TYR A 46 3.778 0.515 -7.794 1.00 0.00 O ATOM 805 CB TYR A 46 1.426 1.446 -5.598 1.00 0.00 C ATOM 806 CG TYR A 46 2.072 2.793 -5.310 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.500 3.650 -4.347 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.219 3.211 -6.006 1.00 0.00 C ATOM 809 CE1 TYR A 46 2.057 4.921 -4.092 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.764 4.482 -5.789 1.00 0.00 C ATOM 811 CZ TYR A 46 3.189 5.346 -4.832 1.00 0.00 C ATOM 812 OH TYR A 46 3.747 6.571 -4.647 1.00 0.00 O ATOM 0 H TYR A 46 -0.270 -0.061 -6.605 1.00 0.00 H new ATOM 0 HA TYR A 46 1.620 1.813 -7.715 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.375 1.502 -5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.890 0.698 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.626 3.330 -3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.685 2.544 -6.716 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.625 5.564 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.626 4.802 -6.355 1.00 0.00 H new ATOM 0 HH TYR A 46 3.052 7.211 -4.384 1.00 0.00 H new ATOM 822 N ILE A 47 2.645 -1.229 -6.982 1.00 0.00 N ATOM 823 CA ILE A 47 3.692 -2.223 -7.279 1.00 0.00 C ATOM 824 C ILE A 47 3.948 -2.329 -8.800 1.00 0.00 C ATOM 825 O ILE A 47 5.079 -2.568 -9.227 1.00 0.00 O ATOM 826 CB ILE A 47 3.319 -3.549 -6.566 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.829 -3.618 -5.105 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.860 -4.799 -7.265 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.637 -2.354 -4.268 1.00 0.00 C ATOM 0 H ILE A 47 1.825 -1.627 -6.524 1.00 0.00 H new ATOM 0 HA ILE A 47 4.659 -1.916 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 47 2.229 -3.542 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.323 -4.443 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.892 -3.860 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.559 -5.686 -6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.459 -4.852 -8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.948 -4.750 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.031 -2.519 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.168 -1.524 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.575 -2.116 -4.206 1.00 0.00 H new ATOM 841 N SER A 48 2.946 -2.022 -9.628 1.00 0.00 N ATOM 842 CA SER A 48 3.088 -1.873 -11.087 1.00 0.00 C ATOM 843 C SER A 48 3.674 -0.521 -11.538 1.00 0.00 C ATOM 844 O SER A 48 4.035 -0.383 -12.708 1.00 0.00 O ATOM 845 CB SER A 48 1.733 -2.075 -11.778 1.00 0.00 C ATOM 846 OG SER A 48 1.255 -3.396 -11.578 1.00 0.00 O ATOM 0 H SER A 48 1.993 -1.866 -9.301 1.00 0.00 H new ATOM 0 HA SER A 48 3.802 -2.642 -11.382 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.010 -1.359 -11.386 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.831 -1.877 -12.845 1.00 0.00 H new ATOM 0 HG SER A 48 0.390 -3.502 -12.025 1.00 0.00 H new ATOM 852 N GLU A 49 3.777 0.483 -10.657 1.00 0.00 N ATOM 853 CA GLU A 49 4.168 1.855 -11.004 1.00 0.00 C ATOM 854 C GLU A 49 5.613 2.188 -10.587 1.00 0.00 C ATOM 855 O GLU A 49 6.330 2.851 -11.341 1.00 0.00 O ATOM 856 CB GLU A 49 3.152 2.811 -10.353 1.00 0.00 C ATOM 857 CG GLU A 49 3.277 4.275 -10.789 1.00 0.00 C ATOM 858 CD GLU A 49 2.875 4.488 -12.263 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.761 4.484 -13.151 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.666 4.676 -12.547 1.00 0.00 O ATOM 0 H GLU A 49 3.587 0.361 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 49 4.154 1.968 -12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.146 2.462 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.266 2.758 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.648 4.896 -10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.305 4.608 -10.644 1.00 0.00 H new ATOM 867 N VAL A 50 6.058 1.724 -9.410 1.00 0.00 N ATOM 868 CA VAL A 50 7.353 2.118 -8.812 1.00 0.00 C ATOM 869 C VAL A 50 8.210 0.952 -8.289 1.00 0.00 C ATOM 870 O VAL A 50 9.400 1.129 -8.025 1.00 0.00 O ATOM 871 CB VAL A 50 7.092 3.177 -7.725 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.805 2.566 -6.348 1.00 0.00 C ATOM 873 CG2 VAL A 50 8.209 4.224 -7.695 1.00 0.00 C ATOM 0 H VAL A 50 5.532 1.062 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 50 7.962 2.538 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 50 6.173 3.696 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.629 3.363 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.922 1.931 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.660 1.969 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.998 4.959 -6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.160 3.735 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.265 4.724 -8.662 1.00 0.00 H new ATOM 883 N GLY A 51 7.620 -0.235 -8.119 1.00 0.00 N ATOM 884 CA GLY A 51 8.311 -1.491 -7.804 1.00 0.00 C ATOM 885 C GLY A 51 7.678 -2.196 -6.611 1.00 0.00 C ATOM 886 O GLY A 51 6.878 -3.113 -6.772 1.00 0.00 O ATOM 0 H GLY A 51 6.610 -0.353 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.284 -2.149 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.360 -1.286 -7.591 1.00 0.00 H new ATOM 890 N LEU A 52 8.060 -1.753 -5.411 1.00 0.00 N ATOM 891 CA LEU A 52 7.557 -2.217 -4.104 1.00 0.00 C ATOM 892 C LEU A 52 8.081 -1.331 -2.958 1.00 0.00 C ATOM 893 O LEU A 52 7.392 -1.102 -1.966 1.00 0.00 O ATOM 894 CB LEU A 52 8.019 -3.680 -3.898 1.00 0.00 C ATOM 895 CG LEU A 52 7.739 -4.303 -2.519 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.268 -4.250 -2.110 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.167 -5.771 -2.555 1.00 0.00 C ATOM 0 H LEU A 52 8.765 -1.023 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 52 6.469 -2.155 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.538 -4.299 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.092 -3.727 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 52 8.300 -3.720 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.147 -4.707 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.939 -3.212 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.668 -4.793 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.976 -6.230 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.600 -6.297 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.231 -5.834 -2.783 1.00 0.00 H new ATOM 909 N ASN A 53 9.313 -0.839 -3.100 1.00 0.00 N ATOM 910 CA ASN A 53 10.086 -0.211 -2.022 1.00 0.00 C ATOM 911 C ASN A 53 10.237 1.319 -2.142 1.00 0.00 C ATOM 912 O ASN A 53 10.764 1.948 -1.220 1.00 0.00 O ATOM 913 CB ASN A 53 11.427 -0.960 -1.890 1.00 0.00 C ATOM 914 CG ASN A 53 12.389 -0.708 -3.040 1.00 0.00 C ATOM 915 OD1 ASN A 53 13.086 0.294 -3.092 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.451 -1.597 -4.006 1.00 0.00 N ATOM 0 H ASN A 53 9.815 -0.866 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 53 9.523 -0.311 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.907 -0.665 -0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.229 -2.030 -1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.080 -1.449 -4.796 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.871 -2.435 -3.966 1.00 0.00 H new ATOM 923 N ASN A 54 9.770 1.928 -3.242 1.00 0.00 N ATOM 924 CA ASN A 54 9.897 3.372 -3.483 1.00 0.00 C ATOM 925 C ASN A 54 8.612 4.158 -3.137 1.00 0.00 C ATOM 926 O ASN A 54 8.679 5.359 -2.867 1.00 0.00 O ATOM 927 CB ASN A 54 10.322 3.583 -4.943 1.00 0.00 C ATOM 928 CG ASN A 54 11.607 2.861 -5.309 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.688 3.194 -4.843 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.532 1.846 -6.144 1.00 0.00 N ATOM 0 H ASN A 54 9.291 1.430 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 54 10.659 3.772 -2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.522 3.240 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.449 4.650 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.376 1.336 -6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.630 1.570 -6.531 1.00 0.00 H new ATOM 937 N LEU A 55 7.452 3.486 -3.121 1.00 0.00 N ATOM 938 CA LEU A 55 6.172 4.026 -2.634 1.00 0.00 C ATOM 939 C LEU A 55 6.212 4.385 -1.136 1.00 0.00 C ATOM 940 O LEU A 55 7.029 3.839 -0.388 1.00 0.00 O ATOM 941 CB LEU A 55 5.051 3.022 -2.958 1.00 0.00 C ATOM 942 CG LEU A 55 5.150 1.661 -2.239 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.194 1.578 -1.051 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.791 0.527 -3.198 1.00 0.00 C ATOM 0 H LEU A 55 7.375 2.525 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 55 5.972 4.966 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.094 3.478 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.045 2.845 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 55 6.178 1.566 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.294 0.604 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.436 2.363 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.169 1.708 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.865 -0.427 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.772 0.665 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.479 0.533 -4.043 1.00 0.00 H new ATOM 956 N ASN A 56 5.316 5.272 -0.684 1.00 0.00 N ATOM 957 CA ASN A 56 5.207 5.666 0.720 1.00 0.00 C ATOM 958 C ASN A 56 3.891 5.184 1.356 1.00 0.00 C ATOM 959 O ASN A 56 2.991 4.660 0.698 1.00 0.00 O ATOM 960 CB ASN A 56 5.498 7.179 0.860 1.00 0.00 C ATOM 961 CG ASN A 56 4.367 8.122 0.476 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.191 7.797 0.497 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.683 9.358 0.174 1.00 0.00 N ATOM 0 H ASN A 56 4.642 5.738 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 56 5.970 5.157 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.774 7.380 1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.366 7.419 0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.950 10.034 -0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.662 9.643 0.153 1.00 0.00 H new ATOM 970 N ALA A 57 3.797 5.376 2.668 1.00 0.00 N ATOM 971 CA ALA A 57 2.659 4.986 3.490 1.00 0.00 C ATOM 972 C ALA A 57 1.561 6.067 3.539 1.00 0.00 C ATOM 973 O ALA A 57 0.415 5.769 3.869 1.00 0.00 O ATOM 974 CB ALA A 57 3.236 4.670 4.868 1.00 0.00 C ATOM 0 H ALA A 57 4.539 5.824 3.206 1.00 0.00 H new ATOM 0 HA ALA A 57 2.151 4.119 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.432 4.369 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.960 3.860 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.729 5.556 5.268 1.00 0.00 H new ATOM 980 N THR A 58 1.894 7.312 3.190 1.00 0.00 N ATOM 981 CA THR A 58 0.989 8.471 3.179 1.00 0.00 C ATOM 982 C THR A 58 -0.101 8.319 2.115 1.00 0.00 C ATOM 983 O THR A 58 -1.282 8.436 2.419 1.00 0.00 O ATOM 984 CB THR A 58 1.789 9.767 2.946 1.00 0.00 C ATOM 985 OG1 THR A 58 2.883 9.832 3.842 1.00 0.00 O ATOM 986 CG2 THR A 58 0.952 11.027 3.158 1.00 0.00 C ATOM 0 H THR A 58 2.840 7.553 2.895 1.00 0.00 H new ATOM 0 HA THR A 58 0.499 8.525 4.151 1.00 0.00 H new ATOM 0 HB THR A 58 2.120 9.734 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.386 10.658 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.569 11.908 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.111 11.026 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.578 11.047 4.182 1.00 0.00 H new ATOM 994 N GLU A 59 0.259 8.001 0.871 1.00 0.00 N ATOM 995 CA GLU A 59 -0.723 7.830 -0.217 1.00 0.00 C ATOM 996 C GLU A 59 -1.641 6.622 0.022 1.00 0.00 C ATOM 997 O GLU A 59 -2.865 6.742 -0.072 1.00 0.00 O ATOM 998 CB GLU A 59 -0.031 7.723 -1.582 1.00 0.00 C ATOM 999 CG GLU A 59 0.880 8.921 -1.878 1.00 0.00 C ATOM 1000 CD GLU A 59 1.094 9.097 -3.389 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.337 9.865 -4.031 1.00 0.00 O ATOM 1002 OE2 GLU A 59 2.031 8.472 -3.936 1.00 0.00 O ATOM 0 H GLU A 59 1.227 7.855 0.584 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.349 8.723 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.558 6.807 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.787 7.645 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.440 9.827 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.842 8.780 -1.386 1.00 0.00 H new ATOM 1009 N LEU A 60 -1.062 5.482 0.420 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.809 4.308 0.891 1.00 0.00 C ATOM 1011 C LEU A 60 -2.795 4.642 2.026 1.00 0.00 C ATOM 1012 O LEU A 60 -3.980 4.350 1.898 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.827 3.199 1.321 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.503 2.192 0.203 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.176 2.821 -1.013 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.417 1.100 0.749 1.00 0.00 C ATOM 0 H LEU A 60 -0.051 5.347 0.424 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.414 3.952 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.100 3.659 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.249 2.662 2.171 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.461 1.789 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.373 2.051 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.477 3.582 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.116 3.280 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.646 0.387 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.342 1.550 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.080 0.583 1.570 1.00 0.00 H new ATOM 1028 N SER A 61 -2.365 5.289 3.112 1.00 0.00 N ATOM 1029 CA SER A 61 -3.248 5.631 4.246 1.00 0.00 C ATOM 1030 C SER A 61 -4.373 6.606 3.878 1.00 0.00 C ATOM 1031 O SER A 61 -5.465 6.518 4.444 1.00 0.00 O ATOM 1032 CB SER A 61 -2.455 6.144 5.457 1.00 0.00 C ATOM 1033 OG SER A 61 -1.556 7.177 5.124 1.00 0.00 O ATOM 0 H SER A 61 -1.399 5.593 3.237 1.00 0.00 H new ATOM 0 HA SER A 61 -3.731 4.694 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.151 6.504 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.902 5.316 5.900 1.00 0.00 H new ATOM 0 HG SER A 61 -0.813 6.808 4.602 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.156 7.463 2.873 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.141 8.429 2.348 1.00 0.00 C ATOM 1041 C LYS A 62 -6.211 7.769 1.474 1.00 0.00 C ATOM 1042 O LYS A 62 -7.395 8.075 1.621 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.414 9.538 1.563 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.657 10.516 2.477 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.622 11.359 1.710 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.292 12.298 0.696 1.00 0.00 C ATOM 1047 NZ LYS A 62 -2.309 13.210 0.053 1.00 0.00 N ATOM 0 H LYS A 62 -3.262 7.508 2.384 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.661 8.861 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.712 9.082 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.140 10.092 0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.371 11.179 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.153 9.956 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.035 11.946 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.928 10.698 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.794 11.707 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.059 12.887 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.800 13.828 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.848 13.792 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.591 12.649 -0.448 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.811 6.861 0.572 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.705 6.188 -0.395 1.00 0.00 C ATOM 1063 C ARG A 63 -7.370 4.922 0.157 1.00 0.00 C ATOM 1064 O ARG A 63 -8.547 4.685 -0.108 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.907 5.874 -1.673 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.695 7.085 -2.595 1.00 0.00 C ATOM 1067 CD ARG A 63 -6.972 7.417 -3.383 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.756 8.530 -4.330 1.00 0.00 N ATOM 1069 CZ ARG A 63 -7.043 9.809 -4.152 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.829 10.667 -5.106 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -7.545 10.264 -3.038 1.00 0.00 N ATOM 0 H ARG A 63 -4.839 6.565 0.489 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.525 6.872 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.934 5.471 -1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.426 5.094 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.397 7.949 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.880 6.878 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.303 6.534 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.770 7.680 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.336 8.283 -5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.439 10.354 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.052 11.652 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.730 9.626 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.752 11.258 -2.941 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.633 4.126 0.932 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.081 2.859 1.535 1.00 0.00 C ATOM 1087 C LEU A 64 -7.816 3.093 2.874 1.00 0.00 C ATOM 1088 O LEU A 64 -8.578 2.235 3.315 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.833 1.952 1.652 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.015 0.438 1.463 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.655 -0.191 1.153 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.566 -0.286 2.690 1.00 0.00 C ATOM 0 H LEU A 64 -5.667 4.351 1.170 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.824 2.361 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.103 2.294 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.395 2.114 2.637 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.737 0.326 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.774 -1.266 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.251 0.248 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.970 -0.003 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.664 -1.349 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.885 -0.149 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.543 0.123 2.945 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.643 4.276 3.485 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.271 4.697 4.748 1.00 0.00 C ATOM 1106 C ASN A 65 -7.859 3.786 5.926 1.00 0.00 C ATOM 1107 O ASN A 65 -8.666 3.076 6.532 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.790 4.901 4.551 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.445 5.695 5.675 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.831 6.843 5.509 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.598 5.122 6.846 1.00 0.00 N ATOM 0 H ASN A 65 -7.035 4.997 3.095 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.890 5.675 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.960 5.416 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.273 3.927 4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.037 5.634 7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.278 4.164 6.991 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.562 3.825 6.224 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.867 3.103 7.303 1.00 0.00 C ATOM 1120 C ILE A 66 -4.958 4.082 8.058 1.00 0.00 C ATOM 1121 O ILE A 66 -4.622 5.145 7.535 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.057 1.900 6.745 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.133 2.318 5.578 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.015 0.766 6.352 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.288 1.216 4.937 1.00 0.00 C ATOM 0 H ILE A 66 -5.918 4.401 5.683 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.606 2.695 7.993 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.397 1.531 7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.750 2.768 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.460 3.095 5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.442 -0.075 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.578 0.446 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.705 1.122 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.686 1.640 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.632 0.777 5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.943 0.445 4.532 1.00 0.00 H new ATOM 1137 N THR A 67 -4.517 3.730 9.267 1.00 0.00 N ATOM 1138 CA THR A 67 -3.427 4.469 9.929 1.00 0.00 C ATOM 1139 C THR A 67 -2.105 4.246 9.187 1.00 0.00 C ATOM 1140 O THR A 67 -1.886 3.184 8.593 1.00 0.00 O ATOM 1141 CB THR A 67 -3.319 4.145 11.428 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.342 4.978 12.009 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.925 2.701 11.734 1.00 0.00 C ATOM 0 H THR A 67 -4.889 2.948 9.807 1.00 0.00 H new ATOM 0 HA THR A 67 -3.667 5.531 9.877 1.00 0.00 H new ATOM 0 HB THR A 67 -4.316 4.307 11.838 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.269 4.778 12.966 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.872 2.559 12.813 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.670 2.024 11.315 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.952 2.488 11.292 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.208 5.236 9.225 1.00 0.00 N ATOM 1152 CA VAL A 68 0.091 5.199 8.527 1.00 0.00 C ATOM 1153 C VAL A 68 0.919 3.986 8.967 1.00 0.00 C ATOM 1154 O VAL A 68 1.584 3.356 8.150 1.00 0.00 O ATOM 1155 CB VAL A 68 0.880 6.510 8.748 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.090 6.600 7.810 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.028 7.763 8.495 1.00 0.00 C ATOM 0 H VAL A 68 -1.361 6.099 9.747 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.110 5.102 7.460 1.00 0.00 H new ATOM 0 HB VAL A 68 1.193 6.480 9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.622 7.534 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.758 5.759 7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.751 6.571 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.632 8.654 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.330 7.758 7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.824 7.767 9.175 1.00 0.00 H new ATOM 1167 N ASP A 69 0.813 3.584 10.234 1.00 0.00 N ATOM 1168 CA ASP A 69 1.528 2.425 10.777 1.00 0.00 C ATOM 1169 C ASP A 69 1.050 1.074 10.218 1.00 0.00 C ATOM 1170 O ASP A 69 1.880 0.189 9.987 1.00 0.00 O ATOM 1171 CB ASP A 69 1.458 2.466 12.308 1.00 0.00 C ATOM 1172 CG ASP A 69 2.329 1.375 12.954 1.00 0.00 C ATOM 1173 OD1 ASP A 69 1.769 0.406 13.519 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.577 1.504 12.922 1.00 0.00 O ATOM 0 H ASP A 69 0.224 4.057 10.919 1.00 0.00 H new ATOM 0 HA ASP A 69 2.566 2.500 10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.783 3.445 12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.423 2.340 12.627 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.245 0.926 9.897 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.738 -0.265 9.186 1.00 0.00 C ATOM 1181 C LYS A 70 -0.206 -0.314 7.760 1.00 0.00 C ATOM 1182 O LYS A 70 0.144 -1.395 7.301 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.274 -0.393 9.207 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.797 -1.000 10.522 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.147 -1.725 10.371 1.00 0.00 C ATOM 1186 CE LYS A 70 -5.281 -0.834 9.845 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.569 -1.577 9.769 1.00 0.00 N ATOM 0 H LYS A 70 -0.967 1.612 10.117 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.351 -1.126 9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.719 0.591 9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.595 -1.014 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.058 -1.702 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.900 -0.207 11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.020 -2.570 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.439 -2.133 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.397 0.032 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.019 -0.456 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.313 -0.946 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.464 -2.389 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.830 -1.916 10.717 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.050 0.830 7.093 1.00 0.00 N ATOM 1202 CA ALA A 71 0.527 0.885 5.746 1.00 0.00 C ATOM 1203 C ALA A 71 2.026 0.530 5.783 1.00 0.00 C ATOM 1204 O ALA A 71 2.474 -0.367 5.066 1.00 0.00 O ATOM 1205 CB ALA A 71 0.250 2.273 5.148 1.00 0.00 C ATOM 0 H ALA A 71 -0.318 1.740 7.467 1.00 0.00 H new ATOM 0 HA ALA A 71 0.060 0.142 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.674 2.328 4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.826 2.439 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.705 3.038 5.777 1.00 0.00 H new ATOM 1211 N LYS A 72 2.781 1.155 6.698 1.00 0.00 N ATOM 1212 CA LYS A 72 4.229 0.942 6.909 1.00 0.00 C ATOM 1213 C LYS A 72 4.597 -0.512 7.231 1.00 0.00 C ATOM 1214 O LYS A 72 5.685 -0.954 6.855 1.00 0.00 O ATOM 1215 CB LYS A 72 4.725 1.858 8.044 1.00 0.00 C ATOM 1216 CG LYS A 72 4.865 3.332 7.645 1.00 0.00 C ATOM 1217 CD LYS A 72 5.109 4.260 8.848 1.00 0.00 C ATOM 1218 CE LYS A 72 6.369 3.951 9.670 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.623 4.247 8.922 1.00 0.00 N ATOM 0 H LYS A 72 2.391 1.848 7.336 1.00 0.00 H new ATOM 0 HA LYS A 72 4.718 1.187 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.034 1.784 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.691 1.494 8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.690 3.435 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.961 3.650 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.173 5.286 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.243 4.208 9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.352 4.535 10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.362 2.900 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.445 4.022 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.655 3.671 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.646 5.255 8.667 1.00 0.00 H new ATOM 1233 N THR A 73 3.727 -1.266 7.910 1.00 0.00 N ATOM 1234 CA THR A 73 3.952 -2.703 8.163 1.00 0.00 C ATOM 1235 C THR A 73 3.386 -3.599 7.062 1.00 0.00 C ATOM 1236 O THR A 73 4.096 -4.483 6.589 1.00 0.00 O ATOM 1237 CB THR A 73 3.507 -3.116 9.578 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.132 -4.336 9.912 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.001 -3.303 9.760 1.00 0.00 C ATOM 0 H THR A 73 2.854 -0.908 8.298 1.00 0.00 H new ATOM 0 HA THR A 73 5.030 -2.861 8.127 1.00 0.00 H new ATOM 0 HB THR A 73 3.798 -2.289 10.226 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.857 -4.609 10.812 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.792 -3.593 10.790 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.488 -2.368 9.535 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.647 -4.082 9.085 1.00 0.00 H new ATOM 1247 N TYR A 74 2.176 -3.344 6.556 1.00 0.00 N ATOM 1248 CA TYR A 74 1.534 -4.175 5.527 1.00 0.00 C ATOM 1249 C TYR A 74 2.361 -4.280 4.231 1.00 0.00 C ATOM 1250 O TYR A 74 2.462 -5.370 3.661 1.00 0.00 O ATOM 1251 CB TYR A 74 0.131 -3.619 5.256 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.547 -4.221 4.049 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.983 -5.560 4.059 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -0.670 -3.443 2.886 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.505 -6.138 2.885 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.200 -4.013 1.722 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.591 -5.368 1.703 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.020 -5.929 0.542 1.00 0.00 O ATOM 0 H TYR A 74 1.608 -2.549 6.850 1.00 0.00 H new ATOM 0 HA TYR A 74 1.465 -5.195 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.492 -3.791 6.133 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.199 -2.540 5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.917 -6.143 4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.357 -2.409 2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.838 -7.165 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.310 -3.411 0.832 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.017 -5.254 -0.168 1.00 0.00 H new ATOM 1268 N ILE A 75 3.034 -3.194 3.824 1.00 0.00 N ATOM 1269 CA ILE A 75 3.972 -3.155 2.684 1.00 0.00 C ATOM 1270 C ILE A 75 4.991 -4.309 2.744 1.00 0.00 C ATOM 1271 O ILE A 75 5.174 -5.028 1.757 1.00 0.00 O ATOM 1272 CB ILE A 75 4.668 -1.768 2.652 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.690 -0.692 2.125 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.952 -1.769 1.801 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.158 0.747 2.403 1.00 0.00 C ATOM 0 H ILE A 75 2.941 -2.291 4.289 1.00 0.00 H new ATOM 0 HA ILE A 75 3.415 -3.294 1.757 1.00 0.00 H new ATOM 0 HB ILE A 75 4.958 -1.535 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.561 -0.823 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.713 -0.844 2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.398 -0.774 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.660 -2.489 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.708 -2.044 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.426 1.451 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.259 0.895 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.121 0.916 1.921 1.00 0.00 H new ATOM 1287 N LYS A 76 5.621 -4.530 3.905 1.00 0.00 N ATOM 1288 CA LYS A 76 6.611 -5.602 4.119 1.00 0.00 C ATOM 1289 C LYS A 76 6.010 -6.907 4.637 1.00 0.00 C ATOM 1290 O LYS A 76 6.561 -7.967 4.365 1.00 0.00 O ATOM 1291 CB LYS A 76 7.766 -5.103 5.009 1.00 0.00 C ATOM 1292 CG LYS A 76 7.329 -4.499 6.354 1.00 0.00 C ATOM 1293 CD LYS A 76 8.548 -4.195 7.236 1.00 0.00 C ATOM 1294 CE LYS A 76 8.154 -3.455 8.522 1.00 0.00 C ATOM 1295 NZ LYS A 76 7.955 -1.998 8.295 1.00 0.00 N ATOM 0 H LYS A 76 5.457 -3.962 4.737 1.00 0.00 H new ATOM 0 HA LYS A 76 7.012 -5.852 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.442 -5.936 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.333 -4.353 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.763 -3.584 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.664 -5.192 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.051 -5.127 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.261 -3.592 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.236 -3.887 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.929 -3.601 9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.858 -1.514 9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.774 -1.611 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.094 -1.849 7.732 1.00 0.00 H new ATOM 1309 N ASN A 77 4.868 -6.875 5.316 1.00 0.00 N ATOM 1310 CA ASN A 77 4.222 -8.080 5.836 1.00 0.00 C ATOM 1311 C ASN A 77 3.585 -8.934 4.719 1.00 0.00 C ATOM 1312 O ASN A 77 3.572 -10.162 4.810 1.00 0.00 O ATOM 1313 CB ASN A 77 3.204 -7.655 6.906 1.00 0.00 C ATOM 1314 CG ASN A 77 2.838 -8.809 7.820 1.00 0.00 C ATOM 1315 OD1 ASN A 77 1.813 -9.462 7.672 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.679 -9.094 8.788 1.00 0.00 N ATOM 0 H ASN A 77 4.362 -6.014 5.523 1.00 0.00 H new ATOM 0 HA ASN A 77 4.972 -8.728 6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.617 -6.839 7.498 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.305 -7.274 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.481 -9.866 9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.530 -8.544 8.903 1.00 0.00 H new ATOM 1420 N THR A 84 15.255 -10.060 -0.193 1.00 0.00 N ATOM 1421 CA THR A 84 16.181 -9.256 0.631 1.00 0.00 C ATOM 1422 C THR A 84 16.675 -9.987 1.873 1.00 0.00 C ATOM 1423 O THR A 84 17.865 -9.992 2.193 1.00 0.00 O ATOM 1424 CB THR A 84 15.500 -7.933 0.993 1.00 0.00 C ATOM 1425 OG1 THR A 84 15.351 -7.170 -0.185 1.00 0.00 O ATOM 1426 CG2 THR A 84 16.248 -7.087 2.020 1.00 0.00 C ATOM 0 HA THR A 84 17.076 -9.064 0.039 1.00 0.00 H new ATOM 0 HB THR A 84 14.547 -8.198 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.236 -7.770 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.690 -6.171 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 84 16.353 -7.650 2.948 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.236 -6.836 1.634 1.00 0.00 H new ATOM 1434 N ASN A 85 15.733 -10.651 2.527 1.00 0.00 N ATOM 1435 CA ASN A 85 15.982 -11.618 3.612 1.00 0.00 C ATOM 1436 C ASN A 85 14.864 -12.677 3.725 1.00 0.00 C ATOM 1437 O ASN A 85 14.574 -13.214 4.794 1.00 0.00 O ATOM 1438 CB ASN A 85 16.252 -10.852 4.930 1.00 0.00 C ATOM 1439 CG ASN A 85 17.174 -11.595 5.890 1.00 0.00 C ATOM 1440 OD1 ASN A 85 18.324 -11.231 6.094 1.00 0.00 O ATOM 1441 ND2 ASN A 85 16.713 -12.654 6.516 1.00 0.00 N ATOM 0 H ASN A 85 14.741 -10.536 2.319 1.00 0.00 H new ATOM 0 HA ASN A 85 16.876 -12.196 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.692 -9.883 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 85 15.302 -10.658 5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.312 -13.164 7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.756 -12.966 6.353 1.00 0.00 H new ATOM 1448 N ASN A 86 14.215 -12.955 2.595 1.00 0.00 N ATOM 1449 CA ASN A 86 13.027 -13.798 2.472 1.00 0.00 C ATOM 1450 C ASN A 86 13.327 -15.116 1.711 1.00 0.00 C ATOM 1451 O ASN A 86 12.505 -15.632 0.959 1.00 0.00 O ATOM 1452 CB ASN A 86 11.919 -12.899 1.897 1.00 0.00 C ATOM 1453 CG ASN A 86 10.552 -13.552 1.926 1.00 0.00 C ATOM 1454 OD1 ASN A 86 9.893 -13.643 2.951 1.00 0.00 O ATOM 1455 ND2 ASN A 86 10.105 -14.040 0.798 1.00 0.00 N ATOM 0 H ASN A 86 14.519 -12.580 1.696 1.00 0.00 H new ATOM 0 HA ASN A 86 12.676 -14.180 3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.883 -11.969 2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.169 -12.637 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.197 -14.503 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.665 -13.958 -0.051 1.00 0.00 H new ATOM 1462 N PHE A 87 14.542 -15.648 1.878 1.00 0.00 N ATOM 1463 CA PHE A 87 15.079 -16.818 1.154 1.00 0.00 C ATOM 1464 C PHE A 87 15.578 -17.940 2.094 1.00 0.00 C ATOM 1465 O PHE A 87 16.325 -18.833 1.696 1.00 0.00 O ATOM 1466 CB PHE A 87 16.140 -16.327 0.159 1.00 0.00 C ATOM 1467 CG PHE A 87 17.396 -15.772 0.799 1.00 0.00 C ATOM 1468 CD1 PHE A 87 17.420 -14.433 1.226 1.00 0.00 C ATOM 1469 CD2 PHE A 87 18.535 -16.583 0.966 1.00 0.00 C ATOM 1470 CE1 PHE A 87 18.587 -13.900 1.805 1.00 0.00 C ATOM 1471 CE2 PHE A 87 19.694 -16.055 1.562 1.00 0.00 C ATOM 1472 CZ PHE A 87 19.721 -14.712 1.978 1.00 0.00 C ATOM 0 H PHE A 87 15.210 -15.264 2.547 1.00 0.00 H new ATOM 0 HA PHE A 87 14.274 -17.297 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.416 -17.154 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.698 -15.556 -0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.543 -13.813 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 87 18.518 -17.611 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 87 18.611 -12.866 2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 87 20.563 -16.681 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 87 20.613 -14.305 2.430 1.00 0.00 H new ATOM 1482 N LYS A 88 15.149 -17.894 3.361 1.00 0.00 N ATOM 1483 CA LYS A 88 15.547 -18.786 4.470 1.00 0.00 C ATOM 1484 C LYS A 88 14.909 -20.188 4.467 1.00 0.00 C ATOM 1485 O LYS A 88 15.258 -21.021 5.303 1.00 0.00 O ATOM 1486 CB LYS A 88 15.297 -18.043 5.793 1.00 0.00 C ATOM 1487 CG LYS A 88 13.804 -17.769 6.032 1.00 0.00 C ATOM 1488 CD LYS A 88 13.596 -16.809 7.207 1.00 0.00 C ATOM 1489 CE LYS A 88 12.109 -16.462 7.341 1.00 0.00 C ATOM 1490 NZ LYS A 88 11.333 -17.553 7.993 1.00 0.00 N ATOM 0 H LYS A 88 14.473 -17.192 3.663 1.00 0.00 H new ATOM 0 HA LYS A 88 16.606 -19.007 4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.693 -18.633 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 88 15.841 -17.099 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.361 -17.345 5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.287 -18.708 6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.956 -17.266 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.178 -15.900 7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.002 -15.546 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.694 -16.263 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.333 -17.274 8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.412 -18.422 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.711 -17.726 8.946 1.00 0.00 H new ATOM 1504 N THR A 89 13.967 -20.442 3.555 1.00 0.00 N ATOM 1505 CA THR A 89 13.288 -21.743 3.362 1.00 0.00 C ATOM 1506 C THR A 89 13.143 -22.105 1.878 1.00 0.00 C ATOM 1507 O THR A 89 13.397 -23.240 1.474 1.00 0.00 O ATOM 1508 CB THR A 89 11.948 -21.767 4.114 1.00 0.00 C ATOM 1509 OG1 THR A 89 11.485 -23.094 4.235 1.00 0.00 O ATOM 1510 CG2 THR A 89 10.849 -20.942 3.456 1.00 0.00 C ATOM 0 H THR A 89 13.639 -19.728 2.904 1.00 0.00 H new ATOM 0 HA THR A 89 13.918 -22.521 3.793 1.00 0.00 H new ATOM 0 HB THR A 89 12.155 -21.320 5.087 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.632 -23.100 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.937 -21.012 4.049 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.163 -19.900 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.659 -21.323 2.452 1.00 0.00 H new ATOM 1518 N ILE A 90 12.853 -21.107 1.037 1.00 0.00 N ATOM 1519 CA ILE A 90 12.925 -21.184 -0.433 1.00 0.00 C ATOM 1520 C ILE A 90 14.379 -21.440 -0.854 1.00 0.00 C ATOM 1521 O ILE A 90 15.314 -21.180 -0.094 1.00 0.00 O ATOM 1522 CB ILE A 90 12.334 -19.890 -1.040 1.00 0.00 C ATOM 1523 CG1 ILE A 90 10.844 -19.732 -0.644 1.00 0.00 C ATOM 1524 CG2 ILE A 90 12.437 -19.800 -2.573 1.00 0.00 C ATOM 1525 CD1 ILE A 90 10.434 -18.263 -0.524 1.00 0.00 C ATOM 0 H ILE A 90 12.551 -20.191 1.368 1.00 0.00 H new ATOM 0 HA ILE A 90 12.331 -22.015 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 90 12.943 -19.086 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.217 -20.223 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 90 10.666 -20.237 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 90 11.999 -18.862 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 90 13.485 -19.840 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.900 -20.635 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.382 -18.200 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 90 11.042 -17.777 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.586 -17.764 -1.481 1.00 0.00 H new ATOM 1537 N LYS A 91 14.575 -21.980 -2.058 1.00 0.00 N ATOM 1538 CA LYS A 91 15.861 -22.370 -2.664 1.00 0.00 C ATOM 1539 C LYS A 91 16.650 -23.489 -1.961 1.00 0.00 C ATOM 1540 O LYS A 91 17.406 -24.193 -2.631 1.00 0.00 O ATOM 1541 CB LYS A 91 16.683 -21.088 -2.902 1.00 0.00 C ATOM 1542 CG LYS A 91 17.641 -21.194 -4.099 1.00 0.00 C ATOM 1543 CD LYS A 91 17.718 -19.864 -4.866 1.00 0.00 C ATOM 1544 CE LYS A 91 16.421 -19.603 -5.654 1.00 0.00 C ATOM 1545 NZ LYS A 91 16.457 -20.238 -6.999 1.00 0.00 N ATOM 0 H LYS A 91 13.791 -22.172 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 91 15.631 -22.860 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.002 -20.253 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.258 -20.861 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.635 -21.474 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.304 -21.985 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.893 -19.047 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.566 -19.884 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.570 -19.988 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.271 -18.529 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.567 -20.041 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.254 -19.852 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.575 -21.266 -6.895 1.00 0.00 H new ATOM 1559 N MET A 92 16.443 -23.711 -0.658 1.00 0.00 N ATOM 1560 CA MET A 92 17.058 -24.797 0.125 1.00 0.00 C ATOM 1561 C MET A 92 16.128 -25.997 0.391 1.00 0.00 C ATOM 1562 O MET A 92 16.627 -27.114 0.531 1.00 0.00 O ATOM 1563 CB MET A 92 17.698 -24.247 1.413 1.00 0.00 C ATOM 1564 CG MET A 92 16.752 -23.461 2.332 1.00 0.00 C ATOM 1565 SD MET A 92 16.689 -24.025 4.057 1.00 0.00 S ATOM 1566 CE MET A 92 15.532 -25.413 3.896 1.00 0.00 C ATOM 0 H MET A 92 15.824 -23.123 -0.099 1.00 0.00 H new ATOM 0 HA MET A 92 17.850 -25.210 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 92 18.115 -25.081 1.977 1.00 0.00 H new ATOM 0 HB3 MET A 92 18.531 -23.600 1.138 1.00 0.00 H new ATOM 0 HG2 MET A 92 17.051 -22.413 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 92 15.746 -23.509 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 92 15.339 -25.842 4.879 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.596 -25.058 3.465 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.965 -26.174 3.247 1.00 0.00 H new ATOM 1576 N PHE A 93 14.797 -25.815 0.402 1.00 0.00 N ATOM 1577 CA PHE A 93 13.827 -26.931 0.464 1.00 0.00 C ATOM 1578 C PHE A 93 13.445 -27.518 -0.915 1.00 0.00 C ATOM 1579 O PHE A 93 12.721 -28.511 -0.992 1.00 0.00 O ATOM 1580 CB PHE A 93 12.599 -26.546 1.316 1.00 0.00 C ATOM 1581 CG PHE A 93 11.394 -25.936 0.604 1.00 0.00 C ATOM 1582 CD1 PHE A 93 10.100 -26.405 0.909 1.00 0.00 C ATOM 1583 CD2 PHE A 93 11.541 -24.896 -0.336 1.00 0.00 C ATOM 1584 CE1 PHE A 93 8.972 -25.846 0.282 1.00 0.00 C ATOM 1585 CE2 PHE A 93 10.414 -24.337 -0.965 1.00 0.00 C ATOM 1586 CZ PHE A 93 9.128 -24.812 -0.657 1.00 0.00 C ATOM 0 H PHE A 93 14.360 -24.894 0.368 1.00 0.00 H new ATOM 0 HA PHE A 93 14.337 -27.753 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.261 -27.441 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.929 -25.840 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.974 -27.200 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.527 -24.525 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.985 -26.212 0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.537 -23.542 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.262 -24.384 -1.140 1.00 0.00 H new ATOM 1596 N GLU A 94 13.934 -26.919 -2.006 1.00 0.00 N ATOM 1597 CA GLU A 94 13.663 -27.321 -3.397 1.00 0.00 C ATOM 1598 C GLU A 94 14.676 -28.369 -3.906 1.00 0.00 C ATOM 1599 O GLU A 94 15.833 -28.390 -3.478 1.00 0.00 O ATOM 1600 CB GLU A 94 13.636 -26.078 -4.306 1.00 0.00 C ATOM 1601 CG GLU A 94 12.526 -25.093 -3.909 1.00 0.00 C ATOM 1602 CD GLU A 94 12.500 -23.852 -4.818 1.00 0.00 C ATOM 1603 OE1 GLU A 94 13.010 -22.789 -4.388 1.00 0.00 O ATOM 1604 OE2 GLU A 94 11.953 -23.923 -5.945 1.00 0.00 O ATOM 0 H GLU A 94 14.553 -26.110 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 94 12.684 -27.799 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.601 -25.574 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.490 -26.389 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.561 -25.597 -3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.672 -24.781 -2.875 1.00 0.00 H new