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 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 77 ASN : amide:sc= 1.03 K(o=1,f=0.26) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.278 K(o=0.28,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.61 (180deg=1.42) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 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= 1.09 K(o=1.1,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.361 K(o=0.36,f=-8.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -5:sc= 0.417 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.16) USER MOD Single : A 65 ASN : amide:sc=-0.000216 X(o=-0.00022,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 165:sc= -0.0721 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 28:sc= 0.342 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0.811 (180deg=0.798) 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 168:sc= 0 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.034 -5.579 3.334 1.00 0.00 N ATOM 624 CA LEU A 35 -8.387 -5.825 2.048 1.00 0.00 C ATOM 625 C LEU A 35 -9.254 -6.628 1.055 1.00 0.00 C ATOM 626 O LEU A 35 -9.061 -7.827 0.836 1.00 0.00 O ATOM 627 CB LEU A 35 -6.977 -6.401 2.292 1.00 0.00 C ATOM 628 CG LEU A 35 -6.047 -5.997 1.143 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.371 -4.660 1.455 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.003 -7.075 0.884 1.00 0.00 C ATOM 0 HA LEU A 35 -8.268 -4.874 1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.582 -6.032 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.026 -7.487 2.368 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.647 -5.884 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.713 -4.384 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.131 -3.890 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.787 -4.753 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.355 -6.765 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.404 -7.225 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.501 -8.008 0.620 1.00 0.00 H new ATOM 642 N SER A 36 -10.199 -5.939 0.414 1.00 0.00 N ATOM 643 CA SER A 36 -11.284 -6.535 -0.375 1.00 0.00 C ATOM 644 C SER A 36 -10.961 -6.607 -1.855 1.00 0.00 C ATOM 645 O SER A 36 -10.735 -7.696 -2.387 1.00 0.00 O ATOM 646 CB SER A 36 -12.627 -5.846 -0.082 1.00 0.00 C ATOM 647 OG SER A 36 -12.952 -5.978 1.292 1.00 0.00 O ATOM 0 H SER A 36 -10.234 -4.920 0.428 1.00 0.00 H new ATOM 0 HA SER A 36 -11.385 -7.572 -0.056 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.570 -4.791 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.413 -6.289 -0.694 1.00 0.00 H new ATOM 0 HG SER A 36 -13.808 -5.535 1.470 1.00 0.00 H new ATOM 653 N GLU A 37 -10.904 -5.463 -2.524 1.00 0.00 N ATOM 654 CA GLU A 37 -10.752 -5.404 -3.982 1.00 0.00 C ATOM 655 C GLU A 37 -10.272 -4.036 -4.462 1.00 0.00 C ATOM 656 O GLU A 37 -9.330 -3.938 -5.245 1.00 0.00 O ATOM 657 CB GLU A 37 -12.092 -5.823 -4.618 1.00 0.00 C ATOM 658 CG GLU A 37 -13.242 -4.812 -4.529 1.00 0.00 C ATOM 659 CD GLU A 37 -14.559 -5.434 -5.036 1.00 0.00 C ATOM 660 OE1 GLU A 37 -15.353 -5.945 -4.209 1.00 0.00 O ATOM 661 OE2 GLU A 37 -14.812 -5.411 -6.265 1.00 0.00 O ATOM 0 H GLU A 37 -10.961 -4.548 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.971 -6.096 -4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.915 -6.045 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.417 -6.751 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.364 -4.483 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.001 -3.928 -5.119 1.00 0.00 H new ATOM 668 N GLU A 38 -10.844 -2.970 -3.905 1.00 0.00 N ATOM 669 CA GLU A 38 -10.424 -1.594 -4.190 1.00 0.00 C ATOM 670 C GLU A 38 -9.080 -1.288 -3.512 1.00 0.00 C ATOM 671 O GLU A 38 -8.289 -0.492 -4.008 1.00 0.00 O ATOM 672 CB GLU A 38 -11.545 -0.638 -3.754 1.00 0.00 C ATOM 673 CG GLU A 38 -11.288 0.813 -4.177 1.00 0.00 C ATOM 674 CD GLU A 38 -12.524 1.693 -3.905 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.330 1.920 -4.841 1.00 0.00 O ATOM 676 OE2 GLU A 38 -12.699 2.167 -2.756 1.00 0.00 O ATOM 0 H GLU A 38 -11.615 -3.034 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.260 -1.458 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.490 -0.974 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.652 -0.682 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.429 1.208 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.038 0.848 -5.237 1.00 0.00 H new ATOM 683 N GLN A 39 -8.775 -1.992 -2.418 1.00 0.00 N ATOM 684 CA GLN A 39 -7.571 -1.817 -1.608 1.00 0.00 C ATOM 685 C GLN A 39 -6.334 -2.295 -2.379 1.00 0.00 C ATOM 686 O GLN A 39 -5.320 -1.603 -2.451 1.00 0.00 O ATOM 687 CB GLN A 39 -7.753 -2.549 -0.266 1.00 0.00 C ATOM 688 CG GLN A 39 -8.924 -2.012 0.587 1.00 0.00 C ATOM 689 CD GLN A 39 -10.303 -2.304 0.000 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.537 -3.329 -0.624 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.239 -1.396 0.065 1.00 0.00 N ATOM 0 H GLN A 39 -9.385 -2.727 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.413 -0.760 -1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.915 -3.609 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.831 -2.468 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.865 -2.449 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.811 -0.934 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.075 -0.530 0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.135 -1.553 -0.397 1.00 0.00 H new ATOM 700 N LYS A 40 -6.456 -3.428 -3.080 1.00 0.00 N ATOM 701 CA LYS A 40 -5.458 -3.899 -4.059 1.00 0.00 C ATOM 702 C LYS A 40 -5.284 -2.942 -5.234 1.00 0.00 C ATOM 703 O LYS A 40 -4.151 -2.695 -5.647 1.00 0.00 O ATOM 704 CB LYS A 40 -5.856 -5.295 -4.560 1.00 0.00 C ATOM 705 CG LYS A 40 -5.630 -6.347 -3.465 1.00 0.00 C ATOM 706 CD LYS A 40 -6.738 -7.418 -3.393 1.00 0.00 C ATOM 707 CE LYS A 40 -7.293 -7.483 -1.965 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.177 -8.660 -1.754 1.00 0.00 N ATOM 0 H LYS A 40 -7.257 -4.053 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.494 -3.943 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.904 -5.294 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.271 -5.551 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.673 -6.839 -3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.560 -5.845 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.537 -7.178 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.339 -8.390 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.465 -7.523 -1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.850 -6.571 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.335 -8.797 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.089 -8.499 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.726 -9.509 -2.152 1.00 0.00 H new ATOM 722 N LYS A 41 -6.368 -2.307 -5.687 1.00 0.00 N ATOM 723 CA LYS A 41 -6.310 -1.229 -6.705 1.00 0.00 C ATOM 724 C LYS A 41 -5.582 0.051 -6.245 1.00 0.00 C ATOM 725 O LYS A 41 -5.374 0.953 -7.056 1.00 0.00 O ATOM 726 CB LYS A 41 -7.703 -0.907 -7.284 1.00 0.00 C ATOM 727 CG LYS A 41 -8.321 -2.084 -8.051 1.00 0.00 C ATOM 728 CD LYS A 41 -9.697 -1.702 -8.613 1.00 0.00 C ATOM 729 CE LYS A 41 -10.320 -2.887 -9.359 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.637 -2.530 -9.952 1.00 0.00 N ATOM 0 H LYS A 41 -7.313 -2.517 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.693 -1.639 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.370 -0.620 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.624 -0.048 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.660 -2.381 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.419 -2.945 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.354 -1.390 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.598 -0.852 -9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.643 -3.218 -10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.444 -3.725 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.029 -3.355 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.290 -2.238 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.514 -1.747 -10.625 1.00 0.00 H new ATOM 744 N ILE A 42 -5.147 0.121 -4.981 1.00 0.00 N ATOM 745 CA ILE A 42 -4.317 1.201 -4.411 1.00 0.00 C ATOM 746 C ILE A 42 -2.878 0.740 -4.113 1.00 0.00 C ATOM 747 O ILE A 42 -1.988 1.584 -4.032 1.00 0.00 O ATOM 748 CB ILE A 42 -5.030 1.764 -3.159 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.372 2.424 -3.557 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.199 2.776 -2.347 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.422 2.185 -2.478 1.00 0.00 C ATOM 0 H ILE A 42 -5.370 -0.601 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.211 1.997 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.190 0.901 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.229 3.495 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.718 2.016 -4.507 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.778 3.117 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.282 2.299 -2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.948 3.629 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.360 2.655 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.577 1.113 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.081 2.615 -1.536 1.00 0.00 H new ATOM 763 N VAL A 43 -2.619 -0.572 -3.976 1.00 0.00 N ATOM 764 CA VAL A 43 -1.307 -1.106 -3.542 1.00 0.00 C ATOM 765 C VAL A 43 -0.684 -2.082 -4.537 1.00 0.00 C ATOM 766 O VAL A 43 0.429 -1.838 -4.994 1.00 0.00 O ATOM 767 CB VAL A 43 -1.363 -1.727 -2.132 1.00 0.00 C ATOM 768 CG1 VAL A 43 0.068 -1.965 -1.624 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.085 -0.789 -1.161 1.00 0.00 C ATOM 0 H VAL A 43 -3.312 -1.297 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.651 -0.236 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.906 -2.670 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.032 -2.404 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.586 -2.644 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.602 -1.016 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.115 -1.243 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.552 0.160 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.102 -0.615 -1.512 1.00 0.00 H new ATOM 779 N ALA A 44 -1.386 -3.139 -4.952 1.00 0.00 N ATOM 780 CA ALA A 44 -0.915 -4.012 -6.033 1.00 0.00 C ATOM 781 C ALA A 44 -0.776 -3.228 -7.354 1.00 0.00 C ATOM 782 O ALA A 44 0.157 -3.447 -8.128 1.00 0.00 O ATOM 783 CB ALA A 44 -1.886 -5.189 -6.167 1.00 0.00 C ATOM 0 H ALA A 44 -2.285 -3.413 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 44 0.077 -4.396 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.550 -5.848 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.917 -5.743 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.882 -4.814 -6.400 1.00 0.00 H new ATOM 789 N ASP A 45 -1.654 -2.240 -7.557 1.00 0.00 N ATOM 790 CA ASP A 45 -1.515 -1.224 -8.610 1.00 0.00 C ATOM 791 C ASP A 45 -0.230 -0.377 -8.468 1.00 0.00 C ATOM 792 O ASP A 45 0.489 -0.181 -9.445 1.00 0.00 O ATOM 793 CB ASP A 45 -2.758 -0.328 -8.588 1.00 0.00 C ATOM 794 CG ASP A 45 -2.748 0.688 -9.743 1.00 0.00 C ATOM 795 OD1 ASP A 45 -3.082 0.299 -10.888 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.411 1.872 -9.510 1.00 0.00 O ATOM 0 H ASP A 45 -2.492 -2.121 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.429 -1.738 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.653 -0.946 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.807 0.203 -7.637 1.00 0.00 H new ATOM 801 N TYR A 46 0.111 0.070 -7.254 1.00 0.00 N ATOM 802 CA TYR A 46 1.293 0.905 -6.970 1.00 0.00 C ATOM 803 C TYR A 46 2.612 0.129 -7.161 1.00 0.00 C ATOM 804 O TYR A 46 3.592 0.644 -7.705 1.00 0.00 O ATOM 805 CB TYR A 46 1.161 1.451 -5.535 1.00 0.00 C ATOM 806 CG TYR A 46 1.825 2.780 -5.202 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.402 3.478 -4.055 1.00 0.00 C ATOM 808 CD2 TYR A 46 2.835 3.332 -6.008 1.00 0.00 C ATOM 809 CE1 TYR A 46 1.954 4.735 -3.733 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.408 4.575 -5.693 1.00 0.00 C ATOM 811 CZ TYR A 46 2.959 5.291 -4.560 1.00 0.00 C ATOM 812 OH TYR A 46 3.529 6.488 -4.249 1.00 0.00 O ATOM 0 H TYR A 46 -0.437 -0.141 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 46 1.330 1.731 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.098 1.546 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.563 0.700 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.647 3.046 -3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.175 2.794 -6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.612 5.271 -2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.190 4.983 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 46 4.200 6.716 -4.926 1.00 0.00 H new ATOM 822 N ILE A 47 2.615 -1.157 -6.811 1.00 0.00 N ATOM 823 CA ILE A 47 3.712 -2.099 -7.079 1.00 0.00 C ATOM 824 C ILE A 47 3.988 -2.237 -8.594 1.00 0.00 C ATOM 825 O ILE A 47 5.125 -2.490 -8.993 1.00 0.00 O ATOM 826 CB ILE A 47 3.385 -3.423 -6.336 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.905 -3.456 -4.877 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.935 -4.679 -7.020 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.733 -2.169 -4.069 1.00 0.00 C ATOM 0 H ILE A 47 1.833 -1.589 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 47 4.661 -1.731 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 47 2.295 -3.437 -6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.395 -4.262 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.965 -3.709 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.663 -5.559 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.513 -4.762 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.021 -4.610 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.133 -2.313 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.269 -1.357 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.674 -1.919 -4.005 1.00 0.00 H new ATOM 841 N SER A 48 2.997 -1.963 -9.451 1.00 0.00 N ATOM 842 CA SER A 48 3.169 -1.883 -10.910 1.00 0.00 C ATOM 843 C SER A 48 3.750 -0.539 -11.402 1.00 0.00 C ATOM 844 O SER A 48 4.258 -0.468 -12.524 1.00 0.00 O ATOM 845 CB SER A 48 1.826 -2.180 -11.593 1.00 0.00 C ATOM 846 OG SER A 48 2.023 -2.678 -12.908 1.00 0.00 O ATOM 0 H SER A 48 2.039 -1.788 -9.148 1.00 0.00 H new ATOM 0 HA SER A 48 3.911 -2.633 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.268 -2.908 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.224 -1.272 -11.631 1.00 0.00 H new ATOM 0 HG SER A 48 1.154 -2.861 -13.322 1.00 0.00 H new ATOM 852 N GLU A 49 3.731 0.530 -10.590 1.00 0.00 N ATOM 853 CA GLU A 49 4.207 1.869 -10.979 1.00 0.00 C ATOM 854 C GLU A 49 5.662 2.105 -10.561 1.00 0.00 C ATOM 855 O GLU A 49 6.480 2.538 -11.377 1.00 0.00 O ATOM 856 CB GLU A 49 3.333 2.959 -10.333 1.00 0.00 C ATOM 857 CG GLU A 49 1.866 2.932 -10.760 1.00 0.00 C ATOM 858 CD GLU A 49 1.678 3.410 -12.214 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.640 2.568 -13.144 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.569 4.641 -12.441 1.00 0.00 O ATOM 0 H GLU A 49 3.381 0.489 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 49 4.140 1.922 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.385 2.853 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.752 3.935 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.478 1.919 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.282 3.565 -10.092 1.00 0.00 H new ATOM 867 N VAL A 50 5.972 1.839 -9.284 1.00 0.00 N ATOM 868 CA VAL A 50 7.238 2.256 -8.645 1.00 0.00 C ATOM 869 C VAL A 50 8.051 1.103 -8.039 1.00 0.00 C ATOM 870 O VAL A 50 9.229 1.284 -7.737 1.00 0.00 O ATOM 871 CB VAL A 50 6.996 3.393 -7.630 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.183 4.549 -8.226 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.340 2.894 -6.344 1.00 0.00 C ATOM 0 H VAL A 50 5.351 1.326 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 50 7.865 2.640 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 50 7.985 3.775 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.041 5.322 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.718 4.968 -9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.211 4.179 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.191 3.732 -5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.377 2.442 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.984 2.152 -5.871 1.00 0.00 H new ATOM 883 N GLY A 51 7.463 -0.086 -7.877 1.00 0.00 N ATOM 884 CA GLY A 51 8.164 -1.355 -7.638 1.00 0.00 C ATOM 885 C GLY A 51 7.697 -2.062 -6.368 1.00 0.00 C ATOM 886 O GLY A 51 6.965 -3.044 -6.436 1.00 0.00 O ATOM 0 H GLY A 51 6.450 -0.197 -7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.012 -2.015 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.235 -1.165 -7.569 1.00 0.00 H new ATOM 890 N LEU A 52 8.129 -1.552 -5.211 1.00 0.00 N ATOM 891 CA LEU A 52 7.736 -2.023 -3.868 1.00 0.00 C ATOM 892 C LEU A 52 8.145 -1.034 -2.762 1.00 0.00 C ATOM 893 O LEU A 52 7.396 -0.794 -1.820 1.00 0.00 O ATOM 894 CB LEU A 52 8.393 -3.404 -3.606 1.00 0.00 C ATOM 895 CG LEU A 52 8.163 -3.999 -2.201 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.680 -4.114 -1.853 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.779 -5.399 -2.114 1.00 0.00 C ATOM 0 H LEU A 52 8.785 -0.772 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 52 6.649 -2.104 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.017 -4.111 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.467 -3.312 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 52 8.637 -3.318 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.572 -4.538 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.223 -3.125 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.185 -4.761 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.611 -5.809 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.315 -6.048 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.850 -5.338 -2.305 1.00 0.00 H new ATOM 909 N ASN A 53 9.347 -0.468 -2.887 1.00 0.00 N ATOM 910 CA ASN A 53 10.017 0.302 -1.824 1.00 0.00 C ATOM 911 C ASN A 53 10.139 1.813 -2.107 1.00 0.00 C ATOM 912 O ASN A 53 10.588 2.566 -1.241 1.00 0.00 O ATOM 913 CB ASN A 53 11.379 -0.354 -1.526 1.00 0.00 C ATOM 914 CG ASN A 53 11.238 -1.744 -0.925 1.00 0.00 C ATOM 915 OD1 ASN A 53 10.699 -1.927 0.156 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.704 -2.771 -1.602 1.00 0.00 N ATOM 0 H ASN A 53 9.897 -0.530 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 53 9.384 0.263 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.957 -0.417 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.941 0.279 -0.840 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.614 -3.714 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.155 -2.624 -2.505 1.00 0.00 H new ATOM 923 N ASN A 54 9.738 2.265 -3.301 1.00 0.00 N ATOM 924 CA ASN A 54 9.812 3.675 -3.717 1.00 0.00 C ATOM 925 C ASN A 54 8.507 4.454 -3.443 1.00 0.00 C ATOM 926 O ASN A 54 8.521 5.686 -3.386 1.00 0.00 O ATOM 927 CB ASN A 54 10.230 3.727 -5.195 1.00 0.00 C ATOM 928 CG ASN A 54 11.530 2.984 -5.449 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.596 3.355 -4.975 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.474 1.882 -6.164 1.00 0.00 N ATOM 0 H ASN A 54 9.347 1.654 -4.018 1.00 0.00 H new ATOM 0 HA ASN A 54 10.564 4.181 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.440 3.295 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.341 4.767 -5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.320 1.335 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.585 1.574 -6.558 1.00 0.00 H new ATOM 937 N LEU A 55 7.393 3.742 -3.234 1.00 0.00 N ATOM 938 CA LEU A 55 6.147 4.281 -2.674 1.00 0.00 C ATOM 939 C LEU A 55 6.299 4.671 -1.194 1.00 0.00 C ATOM 940 O LEU A 55 7.230 4.225 -0.518 1.00 0.00 O ATOM 941 CB LEU A 55 5.016 3.256 -2.878 1.00 0.00 C ATOM 942 CG LEU A 55 5.222 1.890 -2.198 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.425 1.772 -0.902 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.759 0.770 -3.124 1.00 0.00 C ATOM 0 H LEU A 55 7.331 2.748 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 55 5.896 5.200 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.087 3.689 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.887 3.093 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 55 6.286 1.806 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.599 0.793 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.743 2.550 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.363 1.889 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.909 -0.192 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.701 0.900 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.336 0.800 -4.048 1.00 0.00 H new ATOM 956 N ASN A 56 5.358 5.466 -0.676 1.00 0.00 N ATOM 957 CA ASN A 56 5.268 5.799 0.743 1.00 0.00 C ATOM 958 C ASN A 56 3.961 5.277 1.367 1.00 0.00 C ATOM 959 O ASN A 56 3.036 4.826 0.686 1.00 0.00 O ATOM 960 CB ASN A 56 5.528 7.310 0.939 1.00 0.00 C ATOM 961 CG ASN A 56 4.403 8.232 0.494 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.248 7.863 0.373 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.691 9.491 0.281 1.00 0.00 N ATOM 0 H ASN A 56 4.629 5.901 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 56 6.050 5.281 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.727 7.492 1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.432 7.579 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.954 10.145 0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.652 9.818 0.378 1.00 0.00 H new ATOM 970 N ALA A 57 3.899 5.351 2.693 1.00 0.00 N ATOM 971 CA ALA A 57 2.751 4.932 3.486 1.00 0.00 C ATOM 972 C ALA A 57 1.627 5.986 3.506 1.00 0.00 C ATOM 973 O ALA A 57 0.462 5.639 3.692 1.00 0.00 O ATOM 974 CB ALA A 57 3.296 4.641 4.882 1.00 0.00 C ATOM 0 H ALA A 57 4.666 5.714 3.259 1.00 0.00 H new ATOM 0 HA ALA A 57 2.281 4.049 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.481 4.320 5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.045 3.852 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.751 5.543 5.290 1.00 0.00 H new ATOM 980 N THR A 58 1.970 7.259 3.281 1.00 0.00 N ATOM 981 CA THR A 58 1.055 8.412 3.291 1.00 0.00 C ATOM 982 C THR A 58 0.021 8.343 2.163 1.00 0.00 C ATOM 983 O THR A 58 -1.169 8.535 2.386 1.00 0.00 O ATOM 984 CB THR A 58 1.866 9.715 3.186 1.00 0.00 C ATOM 985 OG1 THR A 58 2.887 9.729 4.165 1.00 0.00 O ATOM 986 CG2 THR A 58 1.008 10.960 3.398 1.00 0.00 C ATOM 0 H THR A 58 2.933 7.528 3.078 1.00 0.00 H new ATOM 0 HA THR A 58 0.506 8.390 4.232 1.00 0.00 H new ATOM 0 HB THR A 58 2.278 9.739 2.177 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.400 10.561 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.631 11.850 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.223 10.994 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.557 10.926 4.390 1.00 0.00 H new ATOM 994 N GLU A 59 0.436 8.018 0.940 1.00 0.00 N ATOM 995 CA GLU A 59 -0.487 7.821 -0.187 1.00 0.00 C ATOM 996 C GLU A 59 -1.414 6.614 0.034 1.00 0.00 C ATOM 997 O GLU A 59 -2.609 6.694 -0.254 1.00 0.00 O ATOM 998 CB GLU A 59 0.304 7.660 -1.494 1.00 0.00 C ATOM 999 CG GLU A 59 0.982 8.957 -1.961 1.00 0.00 C ATOM 1000 CD GLU A 59 -0.048 10.063 -2.247 1.00 0.00 C ATOM 1001 OE1 GLU A 59 -0.056 11.095 -1.534 1.00 0.00 O ATOM 1002 OE2 GLU A 59 -0.888 9.890 -3.161 1.00 0.00 O ATOM 0 H GLU A 59 1.418 7.883 0.698 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.119 8.706 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.064 6.890 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.369 7.309 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.681 9.298 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.565 8.760 -2.861 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.896 5.530 0.620 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.698 4.375 1.040 1.00 0.00 C ATOM 1011 C LEU A 60 -2.766 4.757 2.079 1.00 0.00 C ATOM 1012 O LEU A 60 -3.943 4.462 1.885 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.772 3.267 1.586 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.658 2.048 0.661 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.073 2.389 -0.638 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.099 0.930 1.378 1.00 0.00 C ATOM 0 H LEU A 60 0.099 5.428 0.818 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.230 4.001 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.222 3.684 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.143 2.941 2.558 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.669 1.726 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.133 1.500 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.471 3.171 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.079 2.740 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.179 0.065 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.097 1.278 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.439 0.649 2.283 1.00 0.00 H new ATOM 1028 N SER A 61 -2.388 5.448 3.157 1.00 0.00 N ATOM 1029 CA SER A 61 -3.305 5.843 4.235 1.00 0.00 C ATOM 1030 C SER A 61 -4.373 6.843 3.780 1.00 0.00 C ATOM 1031 O SER A 61 -5.512 6.781 4.250 1.00 0.00 O ATOM 1032 CB SER A 61 -2.519 6.388 5.432 1.00 0.00 C ATOM 1033 OG SER A 61 -1.733 7.499 5.061 1.00 0.00 O ATOM 0 H SER A 61 -1.427 5.753 3.310 1.00 0.00 H new ATOM 0 HA SER A 61 -3.840 4.943 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.210 6.676 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.878 5.605 5.837 1.00 0.00 H new ATOM 0 HG SER A 61 -1.800 7.638 4.093 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.045 7.697 2.804 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.960 8.676 2.184 1.00 0.00 C ATOM 1041 C LYS A 62 -6.020 8.013 1.300 1.00 0.00 C ATOM 1042 O LYS A 62 -7.183 8.420 1.330 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.149 9.689 1.352 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.429 10.738 2.217 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.332 11.487 1.441 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.884 12.306 0.268 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.793 12.983 -0.476 1.00 0.00 N ATOM 0 H LYS A 62 -3.106 7.731 2.407 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.486 9.185 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.413 9.152 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.817 10.197 0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.158 11.456 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.986 10.248 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.801 12.151 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.605 10.768 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.436 11.652 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.589 13.049 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.202 13.634 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.199 13.518 0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.212 12.272 -0.963 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.624 7.006 0.511 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.450 6.405 -0.556 1.00 0.00 C ATOM 1063 C ARG A 63 -7.194 5.138 -0.111 1.00 0.00 C ATOM 1064 O ARG A 63 -8.332 4.924 -0.524 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.556 6.159 -1.786 1.00 0.00 C ATOM 1066 CG ARG A 63 -4.998 7.468 -2.375 1.00 0.00 C ATOM 1067 CD ARG A 63 -3.955 7.201 -3.469 1.00 0.00 C ATOM 1068 NE ARG A 63 -3.279 8.446 -3.882 1.00 0.00 N ATOM 1069 CZ ARG A 63 -3.691 9.357 -4.742 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -2.946 10.403 -4.930 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -4.809 9.262 -5.405 1.00 0.00 N ATOM 0 H ARG A 63 -4.704 6.575 0.594 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.244 7.106 -0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.728 5.507 -1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.130 5.635 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.816 8.058 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.547 8.061 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.216 6.488 -3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.439 6.744 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.375 8.625 -3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.069 10.503 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.238 11.125 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.414 8.452 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.079 9.997 -6.058 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.578 4.329 0.756 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.123 3.078 1.317 1.00 0.00 C ATOM 1087 C LEU A 64 -7.870 3.315 2.648 1.00 0.00 C ATOM 1088 O LEU A 64 -8.683 2.486 3.052 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.939 2.093 1.441 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.208 0.584 1.302 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -4.878 -0.100 0.976 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.749 -0.085 2.564 1.00 0.00 C ATOM 0 H LEU A 64 -5.642 4.533 1.105 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.884 2.654 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.202 2.367 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.475 2.257 2.414 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.967 0.479 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.037 -1.173 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.482 0.301 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.167 0.085 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.909 -1.146 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.031 0.034 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.694 0.379 2.845 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.643 4.467 3.296 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.233 4.872 4.581 1.00 0.00 C ATOM 1106 C ASN A 65 -7.866 3.912 5.735 1.00 0.00 C ATOM 1107 O ASN A 65 -8.685 3.160 6.266 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.736 5.181 4.410 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.371 5.723 5.680 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -11.282 5.142 6.256 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -9.920 6.861 6.162 1.00 0.00 N ATOM 0 H ASN A 65 -7.013 5.176 2.921 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.782 5.811 4.901 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.865 5.906 3.606 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.257 4.273 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.329 7.253 7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.161 7.351 5.688 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.586 3.970 6.104 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.906 3.216 7.175 1.00 0.00 C ATOM 1120 C ILE A 66 -4.984 4.167 7.953 1.00 0.00 C ATOM 1121 O ILE A 66 -4.637 5.235 7.449 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.097 2.022 6.595 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.197 2.450 5.411 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.057 0.882 6.226 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.367 1.351 4.747 1.00 0.00 C ATOM 0 H ILE A 66 -5.938 4.596 5.626 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.657 2.804 7.849 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.413 1.656 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.830 2.905 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.516 3.224 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.489 0.045 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.595 0.557 7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.770 1.234 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.781 1.779 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.696 0.907 5.483 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.031 0.583 4.351 1.00 0.00 H new ATOM 1137 N THR A 67 -4.545 3.791 9.157 1.00 0.00 N ATOM 1138 CA THR A 67 -3.452 4.514 9.836 1.00 0.00 C ATOM 1139 C THR A 67 -2.112 4.275 9.130 1.00 0.00 C ATOM 1140 O THR A 67 -1.905 3.232 8.500 1.00 0.00 O ATOM 1141 CB THR A 67 -3.389 4.202 11.341 1.00 0.00 C ATOM 1142 OG1 THR A 67 -2.451 5.060 11.952 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.975 2.768 11.668 1.00 0.00 C ATOM 0 H THR A 67 -4.920 3.001 9.681 1.00 0.00 H new ATOM 0 HA THR A 67 -3.671 5.579 9.763 1.00 0.00 H new ATOM 0 HB THR A 67 -4.402 4.346 11.716 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.408 4.867 12.912 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.956 2.632 12.749 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.691 2.073 11.228 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.983 2.574 11.260 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.183 5.230 9.233 1.00 0.00 N ATOM 1152 CA VAL A 68 0.122 5.191 8.545 1.00 0.00 C ATOM 1153 C VAL A 68 0.926 3.950 8.943 1.00 0.00 C ATOM 1154 O VAL A 68 1.568 3.327 8.105 1.00 0.00 O ATOM 1155 CB VAL A 68 0.941 6.473 8.819 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.144 6.575 7.872 1.00 0.00 C ATOM 1157 CG2 VAL A 68 0.114 7.754 8.634 1.00 0.00 C ATOM 0 H VAL A 68 -1.313 6.066 9.803 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.080 5.137 7.475 1.00 0.00 H new ATOM 0 HB VAL A 68 1.264 6.392 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.701 7.487 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.793 5.711 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.794 6.600 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.739 8.623 8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.253 7.805 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.731 7.744 9.322 1.00 0.00 H new ATOM 1167 N ASP A 69 0.833 3.521 10.202 1.00 0.00 N ATOM 1168 CA ASP A 69 1.533 2.335 10.703 1.00 0.00 C ATOM 1169 C ASP A 69 1.005 1.011 10.126 1.00 0.00 C ATOM 1170 O ASP A 69 1.795 0.099 9.863 1.00 0.00 O ATOM 1171 CB ASP A 69 1.497 2.345 12.236 1.00 0.00 C ATOM 1172 CG ASP A 69 2.384 1.242 12.837 1.00 0.00 C ATOM 1173 OD1 ASP A 69 1.838 0.271 13.414 1.00 0.00 O ATOM 1174 OD2 ASP A 69 3.630 1.362 12.757 1.00 0.00 O ATOM 0 H ASP A 69 0.266 3.989 10.909 1.00 0.00 H new ATOM 0 HA ASP A 69 2.565 2.390 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.829 3.317 12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.470 2.211 12.576 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.300 0.924 9.823 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.860 -0.225 9.100 1.00 0.00 C ATOM 1181 C LYS A 70 -0.383 -0.249 7.655 1.00 0.00 C ATOM 1182 O LYS A 70 -0.085 -1.326 7.154 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.396 -0.251 9.180 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.884 -0.788 10.535 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.414 -0.915 10.557 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.876 -1.488 11.903 1.00 0.00 C ATOM 1187 NZ LYS A 70 -6.352 -1.667 11.946 1.00 0.00 N ATOM 0 H LYS A 70 -0.986 1.637 10.069 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.494 -1.128 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.786 0.755 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.792 -0.873 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.432 -1.761 10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.559 -0.121 11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.870 0.061 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.745 -1.562 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.388 -2.447 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.566 -0.821 12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.628 -2.056 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.817 -0.748 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.644 -2.323 11.193 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.213 0.909 7.016 1.00 0.00 N ATOM 1202 CA ALA A 71 0.335 0.992 5.657 1.00 0.00 C ATOM 1203 C ALA A 71 1.813 0.564 5.643 1.00 0.00 C ATOM 1204 O ALA A 71 2.192 -0.332 4.888 1.00 0.00 O ATOM 1205 CB ALA A 71 0.126 2.417 5.124 1.00 0.00 C ATOM 0 H ALA A 71 -0.450 1.814 7.422 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.189 0.303 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.530 2.491 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.939 2.646 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.639 3.127 5.772 1.00 0.00 H new ATOM 1211 N LYS A 72 2.619 1.129 6.551 1.00 0.00 N ATOM 1212 CA LYS A 72 4.056 0.840 6.719 1.00 0.00 C ATOM 1213 C LYS A 72 4.337 -0.654 6.907 1.00 0.00 C ATOM 1214 O LYS A 72 5.268 -1.172 6.292 1.00 0.00 O ATOM 1215 CB LYS A 72 4.600 1.629 7.926 1.00 0.00 C ATOM 1216 CG LYS A 72 4.838 3.119 7.643 1.00 0.00 C ATOM 1217 CD LYS A 72 5.088 3.968 8.900 1.00 0.00 C ATOM 1218 CE LYS A 72 6.182 3.394 9.810 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.536 4.333 10.906 1.00 0.00 N ATOM 0 H LYS A 72 2.280 1.825 7.215 1.00 0.00 H new ATOM 0 HA LYS A 72 4.561 1.149 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.898 1.535 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.538 1.177 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.694 3.218 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.973 3.519 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.368 4.978 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.160 4.050 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.842 2.450 10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.070 3.175 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.278 3.910 11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.884 5.225 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.694 4.522 11.487 1.00 0.00 H new ATOM 1233 N THR A 73 3.533 -1.355 7.717 1.00 0.00 N ATOM 1234 CA THR A 73 3.740 -2.795 7.968 1.00 0.00 C ATOM 1235 C THR A 73 3.054 -3.698 6.936 1.00 0.00 C ATOM 1236 O THR A 73 3.598 -4.743 6.577 1.00 0.00 O ATOM 1237 CB THR A 73 3.397 -3.168 9.419 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.112 -4.330 9.774 1.00 0.00 O ATOM 1239 CG2 THR A 73 1.917 -3.445 9.676 1.00 0.00 C ATOM 0 H THR A 73 2.735 -0.954 8.210 1.00 0.00 H new ATOM 0 HA THR A 73 4.805 -2.984 7.835 1.00 0.00 H new ATOM 0 HB THR A 73 3.669 -2.298 10.017 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.900 -4.575 10.699 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.771 -3.700 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.333 -2.557 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.589 -4.276 9.052 1.00 0.00 H new ATOM 1247 N TYR A 74 1.907 -3.302 6.374 1.00 0.00 N ATOM 1248 CA TYR A 74 1.221 -4.078 5.331 1.00 0.00 C ATOM 1249 C TYR A 74 2.067 -4.210 4.051 1.00 0.00 C ATOM 1250 O TYR A 74 2.125 -5.295 3.470 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.143 -3.444 5.036 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.816 -4.004 3.805 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.942 -3.189 2.667 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.226 -5.351 3.766 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.445 -3.731 1.476 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.708 -5.899 2.562 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.786 -5.097 1.404 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.143 -5.647 0.213 1.00 0.00 O ATOM 0 H TYR A 74 1.428 -2.438 6.627 1.00 0.00 H new ATOM 0 HA TYR A 74 1.072 -5.092 5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.796 -3.591 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.016 -2.369 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.653 -2.149 2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.171 -5.961 4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.572 -3.099 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.018 -6.933 2.525 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.113 -6.624 0.282 1.00 0.00 H new ATOM 1268 N ILE A 75 2.799 -3.156 3.667 1.00 0.00 N ATOM 1269 CA ILE A 75 3.738 -3.157 2.527 1.00 0.00 C ATOM 1270 C ILE A 75 4.701 -4.361 2.581 1.00 0.00 C ATOM 1271 O ILE A 75 4.883 -5.055 1.578 1.00 0.00 O ATOM 1272 CB ILE A 75 4.487 -1.798 2.496 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.556 -0.667 1.998 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.745 -1.840 1.610 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.063 0.741 2.359 1.00 0.00 C ATOM 0 H ILE A 75 2.757 -2.257 4.148 1.00 0.00 H new ATOM 0 HA ILE A 75 3.181 -3.270 1.597 1.00 0.00 H new ATOM 0 HB ILE A 75 4.799 -1.597 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.452 -0.742 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.563 -0.809 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.232 -0.865 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.433 -2.594 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.462 -2.091 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.364 1.487 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.141 0.833 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.043 0.901 1.910 1.00 0.00 H new ATOM 1287 N LYS A 76 5.273 -4.668 3.754 1.00 0.00 N ATOM 1288 CA LYS A 76 6.198 -5.803 3.949 1.00 0.00 C ATOM 1289 C LYS A 76 5.524 -7.117 4.342 1.00 0.00 C ATOM 1290 O LYS A 76 6.062 -8.171 4.019 1.00 0.00 O ATOM 1291 CB LYS A 76 7.319 -5.414 4.937 1.00 0.00 C ATOM 1292 CG LYS A 76 6.793 -4.873 6.281 1.00 0.00 C ATOM 1293 CD LYS A 76 7.880 -4.734 7.355 1.00 0.00 C ATOM 1294 CE LYS A 76 8.122 -6.081 8.049 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.187 -5.982 9.082 1.00 0.00 N ATOM 0 H LYS A 76 5.107 -4.132 4.606 1.00 0.00 H new ATOM 0 HA LYS A 76 6.634 -6.008 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.945 -6.286 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.955 -4.659 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.331 -3.900 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.012 -5.538 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.806 -4.380 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.580 -3.987 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.197 -6.424 8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.403 -6.828 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.323 -6.911 9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.076 -5.679 8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.907 -5.287 9.804 1.00 0.00 H new ATOM 1309 N ASN A 77 4.343 -7.098 4.960 1.00 0.00 N ATOM 1310 CA ASN A 77 3.588 -8.328 5.248 1.00 0.00 C ATOM 1311 C ASN A 77 2.937 -8.934 3.987 1.00 0.00 C ATOM 1312 O ASN A 77 2.757 -10.152 3.916 1.00 0.00 O ATOM 1313 CB ASN A 77 2.566 -8.065 6.367 1.00 0.00 C ATOM 1314 CG ASN A 77 3.199 -8.136 7.747 1.00 0.00 C ATOM 1315 OD1 ASN A 77 3.219 -9.175 8.393 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.760 -7.056 8.237 1.00 0.00 N ATOM 0 H ASN A 77 3.883 -6.243 5.274 1.00 0.00 H new ATOM 0 HA ASN A 77 4.292 -9.082 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.118 -7.082 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.760 -8.796 6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.210 -7.085 9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.746 -6.187 7.703 1.00 0.00 H new ATOM 1420 N THR A 84 11.684 -13.267 0.448 1.00 0.00 N ATOM 1421 CA THR A 84 11.864 -13.394 1.914 1.00 0.00 C ATOM 1422 C THR A 84 13.351 -13.440 2.319 1.00 0.00 C ATOM 1423 O THR A 84 13.750 -14.148 3.243 1.00 0.00 O ATOM 1424 CB THR A 84 11.015 -14.554 2.487 1.00 0.00 C ATOM 1425 OG1 THR A 84 9.723 -14.533 1.906 1.00 0.00 O ATOM 1426 CG2 THR A 84 10.781 -14.478 4.001 1.00 0.00 C ATOM 0 HA THR A 84 11.479 -12.487 2.380 1.00 0.00 H new ATOM 0 HB THR A 84 11.586 -15.454 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.773 -14.136 1.011 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.178 -15.328 4.319 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.740 -14.499 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 84 10.259 -13.552 4.242 1.00 0.00 H new ATOM 1434 N ASN A 85 14.197 -12.720 1.567 1.00 0.00 N ATOM 1435 CA ASN A 85 15.662 -12.694 1.714 1.00 0.00 C ATOM 1436 C ASN A 85 16.340 -14.090 1.710 1.00 0.00 C ATOM 1437 O ASN A 85 17.376 -14.282 2.349 1.00 0.00 O ATOM 1438 CB ASN A 85 16.034 -11.802 2.918 1.00 0.00 C ATOM 1439 CG ASN A 85 15.608 -10.355 2.731 1.00 0.00 C ATOM 1440 OD1 ASN A 85 14.550 -9.928 3.169 1.00 0.00 O ATOM 1441 ND2 ASN A 85 16.405 -9.560 2.052 1.00 0.00 N ATOM 0 H ASN A 85 13.869 -12.118 0.812 1.00 0.00 H new ATOM 0 HA ASN A 85 16.083 -12.244 0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.566 -12.201 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 85 17.112 -11.842 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.140 -8.588 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 85 17.288 -9.915 1.686 1.00 0.00 H new ATOM 1448 N ASN A 86 15.771 -15.074 0.994 1.00 0.00 N ATOM 1449 CA ASN A 86 16.283 -16.454 0.908 1.00 0.00 C ATOM 1450 C ASN A 86 17.094 -16.762 -0.378 1.00 0.00 C ATOM 1451 O ASN A 86 17.639 -17.855 -0.524 1.00 0.00 O ATOM 1452 CB ASN A 86 15.145 -17.456 1.220 1.00 0.00 C ATOM 1453 CG ASN A 86 14.621 -18.220 0.014 1.00 0.00 C ATOM 1454 OD1 ASN A 86 14.871 -19.402 -0.171 1.00 0.00 O ATOM 1455 ND2 ASN A 86 13.879 -17.567 -0.846 1.00 0.00 N ATOM 0 H ASN A 86 14.923 -14.930 0.446 1.00 0.00 H new ATOM 0 HA ASN A 86 17.042 -16.576 1.680 1.00 0.00 H new ATOM 0 HB2 ASN A 86 15.503 -18.173 1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.317 -16.914 1.677 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.511 -18.045 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.669 -16.581 -0.693 1.00 0.00 H new ATOM 1462 N PHE A 87 17.242 -15.790 -1.287 1.00 0.00 N ATOM 1463 CA PHE A 87 17.888 -15.912 -2.613 1.00 0.00 C ATOM 1464 C PHE A 87 19.425 -16.138 -2.597 1.00 0.00 C ATOM 1465 O PHE A 87 20.097 -16.017 -3.622 1.00 0.00 O ATOM 1466 CB PHE A 87 17.468 -14.707 -3.474 1.00 0.00 C ATOM 1467 CG PHE A 87 17.915 -13.356 -2.932 1.00 0.00 C ATOM 1468 CD1 PHE A 87 17.040 -12.582 -2.142 1.00 0.00 C ATOM 1469 CD2 PHE A 87 19.211 -12.873 -3.201 1.00 0.00 C ATOM 1470 CE1 PHE A 87 17.461 -11.345 -1.619 1.00 0.00 C ATOM 1471 CE2 PHE A 87 19.636 -11.644 -2.668 1.00 0.00 C ATOM 1472 CZ PHE A 87 18.761 -10.878 -1.878 1.00 0.00 C ATOM 0 H PHE A 87 16.898 -14.845 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 87 17.528 -16.839 -3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 87 17.875 -14.834 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.382 -14.705 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.042 -12.940 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 87 19.882 -13.450 -3.820 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.785 -10.755 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 87 20.636 -11.288 -2.866 1.00 0.00 H new ATOM 0 HZ PHE A 87 19.087 -9.932 -1.471 1.00 0.00 H new ATOM 1482 N LYS A 88 19.984 -16.482 -1.432 1.00 0.00 N ATOM 1483 CA LYS A 88 21.415 -16.685 -1.134 1.00 0.00 C ATOM 1484 C LYS A 88 21.898 -18.131 -1.309 1.00 0.00 C ATOM 1485 O LYS A 88 23.095 -18.396 -1.207 1.00 0.00 O ATOM 1486 CB LYS A 88 21.669 -16.170 0.293 1.00 0.00 C ATOM 1487 CG LYS A 88 20.898 -16.949 1.383 1.00 0.00 C ATOM 1488 CD LYS A 88 20.402 -16.017 2.495 1.00 0.00 C ATOM 1489 CE LYS A 88 19.424 -16.753 3.419 1.00 0.00 C ATOM 1490 NZ LYS A 88 18.779 -15.809 4.369 1.00 0.00 N ATOM 0 H LYS A 88 19.407 -16.639 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 88 21.999 -16.124 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 88 22.737 -16.227 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 88 21.389 -15.118 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 88 20.049 -17.463 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 88 21.545 -17.715 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 88 21.249 -15.648 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 88 19.912 -15.147 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.661 -17.253 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.954 -17.528 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.173 -16.339 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.511 -15.301 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.200 -15.126 3.840 1.00 0.00 H new ATOM 1504 N THR A 89 20.963 -19.046 -1.571 1.00 0.00 N ATOM 1505 CA THR A 89 21.176 -20.498 -1.637 1.00 0.00 C ATOM 1506 C THR A 89 20.443 -21.117 -2.833 1.00 0.00 C ATOM 1507 O THR A 89 21.007 -21.938 -3.557 1.00 0.00 O ATOM 1508 CB THR A 89 20.684 -21.125 -0.322 1.00 0.00 C ATOM 1509 OG1 THR A 89 21.361 -20.559 0.783 1.00 0.00 O ATOM 1510 CG2 THR A 89 20.932 -22.624 -0.282 1.00 0.00 C ATOM 0 H THR A 89 19.993 -18.787 -1.751 1.00 0.00 H new ATOM 0 HA THR A 89 22.239 -20.697 -1.772 1.00 0.00 H new ATOM 0 HB THR A 89 19.614 -20.927 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 89 21.034 -20.968 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 89 20.570 -23.028 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 89 20.404 -23.102 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 89 22.001 -22.819 -0.374 1.00 0.00 H new ATOM 1518 N ILE A 90 19.203 -20.692 -3.095 1.00 0.00 N ATOM 1519 CA ILE A 90 18.464 -21.035 -4.318 1.00 0.00 C ATOM 1520 C ILE A 90 19.075 -20.351 -5.553 1.00 0.00 C ATOM 1521 O ILE A 90 19.943 -19.483 -5.427 1.00 0.00 O ATOM 1522 CB ILE A 90 16.963 -20.734 -4.141 1.00 0.00 C ATOM 1523 CG1 ILE A 90 16.693 -19.251 -3.815 1.00 0.00 C ATOM 1524 CG2 ILE A 90 16.368 -21.669 -3.072 1.00 0.00 C ATOM 1525 CD1 ILE A 90 15.226 -18.862 -4.004 1.00 0.00 C ATOM 0 H ILE A 90 18.677 -20.094 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 90 18.555 -22.107 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 90 16.467 -20.925 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 90 16.988 -19.050 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 90 17.316 -18.624 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 90 15.307 -21.453 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 90 16.494 -22.706 -3.385 1.00 0.00 H new ATOM 0 HG23 ILE A 90 16.882 -21.511 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.095 -17.808 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.935 -19.034 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.602 -19.467 -3.346 1.00 0.00 H new ATOM 1537 N LYS A 91 18.634 -20.749 -6.754 1.00 0.00 N ATOM 1538 CA LYS A 91 19.082 -20.261 -8.080 1.00 0.00 C ATOM 1539 C LYS A 91 20.528 -20.620 -8.473 1.00 0.00 C ATOM 1540 O LYS A 91 20.798 -20.794 -9.661 1.00 0.00 O ATOM 1541 CB LYS A 91 18.807 -18.747 -8.240 1.00 0.00 C ATOM 1542 CG LYS A 91 17.388 -18.277 -7.864 1.00 0.00 C ATOM 1543 CD LYS A 91 16.300 -18.873 -8.764 1.00 0.00 C ATOM 1544 CE LYS A 91 14.911 -18.431 -8.291 1.00 0.00 C ATOM 1545 NZ LYS A 91 13.844 -18.934 -9.198 1.00 0.00 N ATOM 0 H LYS A 91 17.911 -21.463 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 91 18.472 -20.815 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.524 -18.200 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.998 -18.470 -9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.184 -18.549 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.344 -17.189 -7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.458 -18.555 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.366 -19.961 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.735 -18.799 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.869 -17.343 -8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.916 -18.618 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.000 -18.563 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.869 -19.973 -9.221 1.00 0.00 H new ATOM 1559 N MET A 92 21.439 -20.776 -7.507 1.00 0.00 N ATOM 1560 CA MET A 92 22.841 -21.174 -7.733 1.00 0.00 C ATOM 1561 C MET A 92 23.081 -22.688 -7.599 1.00 0.00 C ATOM 1562 O MET A 92 23.877 -23.247 -8.357 1.00 0.00 O ATOM 1563 CB MET A 92 23.773 -20.348 -6.831 1.00 0.00 C ATOM 1564 CG MET A 92 23.583 -20.601 -5.329 1.00 0.00 C ATOM 1565 SD MET A 92 24.544 -19.509 -4.247 1.00 0.00 S ATOM 1566 CE MET A 92 23.629 -17.956 -4.473 1.00 0.00 C ATOM 0 H MET A 92 21.222 -20.627 -6.522 1.00 0.00 H new ATOM 0 HA MET A 92 23.078 -20.951 -8.773 1.00 0.00 H new ATOM 0 HB2 MET A 92 24.807 -20.569 -7.097 1.00 0.00 H new ATOM 0 HB3 MET A 92 23.611 -19.289 -7.033 1.00 0.00 H new ATOM 0 HG2 MET A 92 22.526 -20.491 -5.087 1.00 0.00 H new ATOM 0 HG3 MET A 92 23.853 -21.634 -5.112 1.00 0.00 H new ATOM 0 HE1 MET A 92 23.949 -17.233 -3.723 1.00 0.00 H new ATOM 0 HE2 MET A 92 23.827 -17.558 -5.468 1.00 0.00 H new ATOM 0 HE3 MET A 92 22.561 -18.144 -4.363 1.00 0.00 H new ATOM 1576 N PHE A 93 22.371 -23.368 -6.687 1.00 0.00 N ATOM 1577 CA PHE A 93 22.397 -24.834 -6.554 1.00 0.00 C ATOM 1578 C PHE A 93 21.337 -25.547 -7.408 1.00 0.00 C ATOM 1579 O PHE A 93 21.516 -26.714 -7.761 1.00 0.00 O ATOM 1580 CB PHE A 93 22.237 -25.221 -5.075 1.00 0.00 C ATOM 1581 CG PHE A 93 23.523 -25.127 -4.279 1.00 0.00 C ATOM 1582 CD1 PHE A 93 23.692 -24.141 -3.291 1.00 0.00 C ATOM 1583 CD2 PHE A 93 24.555 -26.049 -4.531 1.00 0.00 C ATOM 1584 CE1 PHE A 93 24.897 -24.065 -2.569 1.00 0.00 C ATOM 1585 CE2 PHE A 93 25.762 -25.974 -3.812 1.00 0.00 C ATOM 1586 CZ PHE A 93 25.934 -24.978 -2.832 1.00 0.00 C ATOM 0 H PHE A 93 21.756 -22.912 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 93 23.364 -25.168 -6.931 1.00 0.00 H new ATOM 0 HB2 PHE A 93 21.489 -24.573 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 93 21.856 -26.240 -5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 93 22.896 -23.441 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 93 24.420 -26.817 -5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 93 25.026 -23.305 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 93 26.555 -26.679 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 93 26.862 -24.915 -2.283 1.00 0.00 H new ATOM 1596 N GLU A 94 20.231 -24.871 -7.733 1.00 0.00 N ATOM 1597 CA GLU A 94 19.077 -25.461 -8.420 1.00 0.00 C ATOM 1598 C GLU A 94 18.330 -24.426 -9.282 1.00 0.00 C ATOM 1599 O GLU A 94 18.054 -23.312 -8.829 1.00 0.00 O ATOM 1600 CB GLU A 94 18.168 -26.147 -7.381 1.00 0.00 C ATOM 1601 CG GLU A 94 17.497 -25.214 -6.361 1.00 0.00 C ATOM 1602 CD GLU A 94 16.733 -26.029 -5.299 1.00 0.00 C ATOM 1603 OE1 GLU A 94 17.312 -26.334 -4.227 1.00 0.00 O ATOM 1604 OE2 GLU A 94 15.546 -26.370 -5.525 1.00 0.00 O ATOM 0 H GLU A 94 20.110 -23.880 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 94 19.424 -26.219 -9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.389 -26.694 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.760 -26.883 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.251 -24.593 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.810 -24.540 -6.873 1.00 0.00 H new