USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 ASN : amide:sc= 0.751 K(o=1.9,f=-1.4) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -147:sc= 1.17 (180deg=1.07) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.704 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -110:sc= 0.803 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0403 K(o=-0.04,f=-9.6!) USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= 0.769 (180deg=0.0688) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0174) USER MOD Single : A 46 TYR OH : rot -2:sc= 1.23 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.0419 K(o=0.042,f=-8.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -75:sc= 1.22 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.361 X(o=0.36,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0365 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot -33:sc= 0.0607 USER MOD Single : A 86 ASN : amide:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -8.949 -6.169 3.159 1.00 0.00 N ATOM 624 CA LEU A 35 -8.870 -6.081 1.707 1.00 0.00 C ATOM 625 C LEU A 35 -10.111 -6.716 1.071 1.00 0.00 C ATOM 626 O LEU A 35 -10.300 -7.934 1.107 1.00 0.00 O ATOM 627 CB LEU A 35 -7.571 -6.759 1.227 1.00 0.00 C ATOM 628 CG LEU A 35 -6.433 -5.764 0.962 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.954 -5.009 2.202 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.254 -6.499 0.341 1.00 0.00 C ATOM 0 HA LEU A 35 -8.845 -5.036 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.247 -7.481 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.776 -7.318 0.314 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.841 -5.014 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.149 -4.328 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.782 -4.440 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.588 -5.720 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.444 -5.794 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.908 -7.274 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.564 -6.956 -0.599 1.00 0.00 H new ATOM 642 N SER A 36 -10.921 -5.867 0.448 1.00 0.00 N ATOM 643 CA SER A 36 -12.053 -6.241 -0.404 1.00 0.00 C ATOM 644 C SER A 36 -11.639 -6.321 -1.863 1.00 0.00 C ATOM 645 O SER A 36 -11.382 -7.408 -2.388 1.00 0.00 O ATOM 646 CB SER A 36 -13.276 -5.354 -0.134 1.00 0.00 C ATOM 647 OG SER A 36 -14.403 -5.848 -0.839 1.00 0.00 O ATOM 0 H SER A 36 -10.805 -4.856 0.524 1.00 0.00 H new ATOM 0 HA SER A 36 -12.374 -7.249 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.488 -5.330 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.066 -4.329 -0.441 1.00 0.00 H new ATOM 0 HG SER A 36 -15.178 -5.276 -0.659 1.00 0.00 H new ATOM 653 N GLU A 37 -11.520 -5.173 -2.517 1.00 0.00 N ATOM 654 CA GLU A 37 -11.276 -5.099 -3.957 1.00 0.00 C ATOM 655 C GLU A 37 -10.628 -3.772 -4.338 1.00 0.00 C ATOM 656 O GLU A 37 -9.594 -3.744 -4.993 1.00 0.00 O ATOM 657 CB GLU A 37 -12.600 -5.383 -4.693 1.00 0.00 C ATOM 658 CG GLU A 37 -13.658 -4.269 -4.699 1.00 0.00 C ATOM 659 CD GLU A 37 -14.958 -4.751 -5.374 1.00 0.00 C ATOM 660 OE1 GLU A 37 -15.033 -4.747 -6.627 1.00 0.00 O ATOM 661 OE2 GLU A 37 -15.922 -5.127 -4.662 1.00 0.00 O ATOM 0 H GLU A 37 -11.590 -4.262 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.557 -5.859 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.364 -5.629 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.049 -6.271 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.869 -3.956 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.271 -3.397 -5.226 1.00 0.00 H new ATOM 668 N GLU A 38 -11.156 -2.671 -3.815 1.00 0.00 N ATOM 669 CA GLU A 38 -10.590 -1.333 -4.009 1.00 0.00 C ATOM 670 C GLU A 38 -9.209 -1.198 -3.344 1.00 0.00 C ATOM 671 O GLU A 38 -8.348 -0.485 -3.848 1.00 0.00 O ATOM 672 CB GLU A 38 -11.603 -0.294 -3.503 1.00 0.00 C ATOM 673 CG GLU A 38 -11.188 1.150 -3.808 1.00 0.00 C ATOM 674 CD GLU A 38 -12.341 2.128 -3.508 1.00 0.00 C ATOM 675 OE1 GLU A 38 -13.045 2.552 -4.459 1.00 0.00 O ATOM 676 OE2 GLU A 38 -12.555 2.480 -2.323 1.00 0.00 O ATOM 0 H GLU A 38 -11.997 -2.678 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.415 -1.156 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.574 -0.490 -3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.726 -0.410 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.316 1.416 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.896 1.236 -4.855 1.00 0.00 H new ATOM 683 N GLN A 39 -8.959 -1.933 -2.256 1.00 0.00 N ATOM 684 CA GLN A 39 -7.786 -1.746 -1.391 1.00 0.00 C ATOM 685 C GLN A 39 -6.498 -2.263 -2.053 1.00 0.00 C ATOM 686 O GLN A 39 -5.490 -1.559 -2.133 1.00 0.00 O ATOM 687 CB GLN A 39 -8.057 -2.419 -0.033 1.00 0.00 C ATOM 688 CG GLN A 39 -9.233 -1.790 0.743 1.00 0.00 C ATOM 689 CD GLN A 39 -10.602 -2.114 0.153 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.830 -3.158 -0.444 1.00 0.00 O ATOM 691 NE2 GLN A 39 -11.547 -1.212 0.211 1.00 0.00 N ATOM 0 H GLN A 39 -9.573 -2.686 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.624 -0.680 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.264 -3.477 -0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.156 -2.361 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.201 -2.136 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.104 -0.708 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.384 -0.333 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.447 -1.387 -0.235 1.00 0.00 H new ATOM 700 N LYS A 40 -6.558 -3.464 -2.637 1.00 0.00 N ATOM 701 CA LYS A 40 -5.498 -4.022 -3.496 1.00 0.00 C ATOM 702 C LYS A 40 -5.339 -3.250 -4.817 1.00 0.00 C ATOM 703 O LYS A 40 -4.216 -3.119 -5.301 1.00 0.00 O ATOM 704 CB LYS A 40 -5.731 -5.535 -3.678 1.00 0.00 C ATOM 705 CG LYS A 40 -7.037 -5.852 -4.430 1.00 0.00 C ATOM 706 CD LYS A 40 -7.563 -7.287 -4.263 1.00 0.00 C ATOM 707 CE LYS A 40 -7.949 -7.610 -2.806 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.831 -8.805 -2.717 1.00 0.00 N ATOM 0 H LYS A 40 -7.356 -4.089 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.535 -3.895 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.890 -5.964 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.755 -6.014 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.808 -5.159 -4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.880 -5.662 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.432 -7.429 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.801 -7.991 -4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.046 -7.781 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.456 -6.751 -2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.542 -9.390 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.817 -8.500 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.751 -9.362 -3.592 1.00 0.00 H new ATOM 722 N LYS A 41 -6.408 -2.619 -5.327 1.00 0.00 N ATOM 723 CA LYS A 41 -6.367 -1.668 -6.468 1.00 0.00 C ATOM 724 C LYS A 41 -5.680 -0.331 -6.146 1.00 0.00 C ATOM 725 O LYS A 41 -5.523 0.500 -7.041 1.00 0.00 O ATOM 726 CB LYS A 41 -7.777 -1.443 -7.053 1.00 0.00 C ATOM 727 CG LYS A 41 -8.358 -2.723 -7.669 1.00 0.00 C ATOM 728 CD LYS A 41 -9.889 -2.701 -7.851 1.00 0.00 C ATOM 729 CE LYS A 41 -10.432 -2.171 -9.182 1.00 0.00 C ATOM 730 NZ LYS A 41 -10.049 -0.763 -9.471 1.00 0.00 N ATOM 0 H LYS A 41 -7.349 -2.753 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.742 -2.143 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.442 -1.085 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.733 -0.663 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.891 -2.890 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.091 -3.570 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.259 -3.717 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.315 -2.098 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.072 -2.808 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.519 -2.248 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.493 -0.458 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.371 -0.150 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.015 -0.696 -9.560 1.00 0.00 H new ATOM 744 N ILE A 42 -5.231 -0.138 -4.904 1.00 0.00 N ATOM 745 CA ILE A 42 -4.347 0.958 -4.485 1.00 0.00 C ATOM 746 C ILE A 42 -2.937 0.422 -4.229 1.00 0.00 C ATOM 747 O ILE A 42 -1.992 0.909 -4.846 1.00 0.00 O ATOM 748 CB ILE A 42 -4.961 1.683 -3.270 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.273 2.384 -3.692 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.009 2.706 -2.625 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.336 2.262 -2.605 1.00 0.00 C ATOM 0 H ILE A 42 -5.480 -0.760 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.254 1.700 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.159 0.921 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.077 3.437 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.643 1.943 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.504 3.179 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.107 2.198 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.741 3.466 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.247 2.764 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.548 1.209 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.973 2.726 -1.688 1.00 0.00 H new ATOM 763 N VAL A 43 -2.774 -0.607 -3.385 1.00 0.00 N ATOM 764 CA VAL A 43 -1.434 -1.100 -3.003 1.00 0.00 C ATOM 765 C VAL A 43 -0.751 -1.851 -4.146 1.00 0.00 C ATOM 766 O VAL A 43 0.315 -1.436 -4.596 1.00 0.00 O ATOM 767 CB VAL A 43 -1.447 -1.958 -1.721 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.004 -2.306 -1.320 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.109 -1.220 -0.555 1.00 0.00 C ATOM 0 H VAL A 43 -3.546 -1.115 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.848 -0.207 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.019 -2.861 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.014 -2.912 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.473 -2.865 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.554 -1.388 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.100 -1.856 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.561 -0.301 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.139 -0.977 -0.816 1.00 0.00 H new ATOM 779 N ALA A 44 -1.356 -2.931 -4.651 1.00 0.00 N ATOM 780 CA ALA A 44 -0.767 -3.758 -5.709 1.00 0.00 C ATOM 781 C ALA A 44 -0.716 -3.025 -7.064 1.00 0.00 C ATOM 782 O ALA A 44 0.179 -3.275 -7.873 1.00 0.00 O ATOM 783 CB ALA A 44 -1.525 -5.086 -5.792 1.00 0.00 C ATOM 0 H ALA A 44 -2.270 -3.257 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 44 0.272 -3.965 -5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.091 -5.704 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.452 -5.607 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.573 -4.893 -6.020 1.00 0.00 H new ATOM 789 N ASP A 45 -1.610 -2.056 -7.284 1.00 0.00 N ATOM 790 CA ASP A 45 -1.465 -1.078 -8.370 1.00 0.00 C ATOM 791 C ASP A 45 -0.173 -0.245 -8.242 1.00 0.00 C ATOM 792 O ASP A 45 0.569 -0.132 -9.215 1.00 0.00 O ATOM 793 CB ASP A 45 -2.707 -0.184 -8.413 1.00 0.00 C ATOM 794 CG ASP A 45 -2.665 0.784 -9.607 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.361 1.984 -9.409 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.946 0.343 -10.748 1.00 0.00 O ATOM 0 H ASP A 45 -2.450 -1.927 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.379 -1.621 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.601 -0.804 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.780 0.384 -7.485 1.00 0.00 H new ATOM 801 N TYR A 46 0.167 0.249 -7.043 1.00 0.00 N ATOM 802 CA TYR A 46 1.422 0.976 -6.786 1.00 0.00 C ATOM 803 C TYR A 46 2.664 0.078 -6.997 1.00 0.00 C ATOM 804 O TYR A 46 3.682 0.526 -7.531 1.00 0.00 O ATOM 805 CB TYR A 46 1.387 1.582 -5.366 1.00 0.00 C ATOM 806 CG TYR A 46 2.012 2.961 -5.208 1.00 0.00 C ATOM 807 CD1 TYR A 46 1.348 3.962 -4.470 1.00 0.00 C ATOM 808 CD2 TYR A 46 3.265 3.245 -5.774 1.00 0.00 C ATOM 809 CE1 TYR A 46 1.941 5.227 -4.277 1.00 0.00 C ATOM 810 CE2 TYR A 46 3.833 4.524 -5.652 1.00 0.00 C ATOM 811 CZ TYR A 46 3.182 5.520 -4.892 1.00 0.00 C ATOM 812 OH TYR A 46 3.773 6.736 -4.761 1.00 0.00 O ATOM 0 H TYR A 46 -0.424 0.155 -6.217 1.00 0.00 H new ATOM 0 HA TYR A 46 1.507 1.787 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.347 1.638 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.895 0.896 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.375 3.758 -4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.798 2.472 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.451 5.968 -3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.770 4.746 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 46 3.196 7.325 -4.231 1.00 0.00 H new ATOM 822 N ILE A 47 2.575 -1.219 -6.684 1.00 0.00 N ATOM 823 CA ILE A 47 3.647 -2.200 -6.956 1.00 0.00 C ATOM 824 C ILE A 47 3.946 -2.328 -8.468 1.00 0.00 C ATOM 825 O ILE A 47 5.068 -2.658 -8.858 1.00 0.00 O ATOM 826 CB ILE A 47 3.305 -3.551 -6.271 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.104 -3.415 -4.740 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.328 -4.673 -6.523 1.00 0.00 C ATOM 829 CD1 ILE A 47 4.072 -2.472 -4.016 1.00 0.00 C ATOM 0 H ILE A 47 1.756 -1.626 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 47 4.579 -1.842 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 47 2.366 -3.835 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.086 -3.070 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.190 -4.405 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.009 -5.579 -6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.396 -4.869 -7.593 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.304 -4.366 -6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.837 -2.456 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.095 -2.822 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.974 -1.466 -4.424 1.00 0.00 H new ATOM 841 N SER A 48 2.992 -1.968 -9.334 1.00 0.00 N ATOM 842 CA SER A 48 3.180 -1.871 -10.790 1.00 0.00 C ATOM 843 C SER A 48 3.791 -0.530 -11.259 1.00 0.00 C ATOM 844 O SER A 48 4.236 -0.425 -12.403 1.00 0.00 O ATOM 845 CB SER A 48 1.836 -2.136 -11.482 1.00 0.00 C ATOM 846 OG SER A 48 2.027 -2.614 -12.806 1.00 0.00 O ATOM 0 H SER A 48 2.045 -1.730 -9.037 1.00 0.00 H new ATOM 0 HA SER A 48 3.912 -2.627 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.266 -2.866 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.248 -1.218 -11.505 1.00 0.00 H new ATOM 0 HG SER A 48 1.156 -2.776 -13.224 1.00 0.00 H new ATOM 852 N GLU A 49 3.856 0.502 -10.402 1.00 0.00 N ATOM 853 CA GLU A 49 4.329 1.849 -10.760 1.00 0.00 C ATOM 854 C GLU A 49 5.823 2.035 -10.475 1.00 0.00 C ATOM 855 O GLU A 49 6.583 2.404 -11.374 1.00 0.00 O ATOM 856 CB GLU A 49 3.540 2.931 -9.999 1.00 0.00 C ATOM 857 CG GLU A 49 2.047 2.972 -10.320 1.00 0.00 C ATOM 858 CD GLU A 49 1.772 3.536 -11.729 1.00 0.00 C ATOM 859 OE1 GLU A 49 1.656 4.777 -11.876 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.674 2.749 -12.703 1.00 0.00 O ATOM 0 H GLU A 49 3.577 0.422 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 49 4.165 1.955 -11.832 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.664 2.767 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.974 3.905 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.633 1.967 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.534 3.584 -9.578 1.00 0.00 H new ATOM 867 N VAL A 50 6.234 1.806 -9.219 1.00 0.00 N ATOM 868 CA VAL A 50 7.560 2.232 -8.711 1.00 0.00 C ATOM 869 C VAL A 50 8.439 1.109 -8.146 1.00 0.00 C ATOM 870 O VAL A 50 9.644 1.299 -7.981 1.00 0.00 O ATOM 871 CB VAL A 50 7.429 3.384 -7.695 1.00 0.00 C ATOM 872 CG1 VAL A 50 6.573 4.540 -8.224 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.893 2.900 -6.346 1.00 0.00 C ATOM 0 H VAL A 50 5.664 1.323 -8.524 1.00 0.00 H new ATOM 0 HA VAL A 50 8.086 2.585 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 50 8.440 3.763 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.514 5.324 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.025 4.943 -9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.570 4.177 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.817 3.744 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.908 2.455 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.572 2.156 -5.930 1.00 0.00 H new ATOM 883 N GLY A 51 7.859 -0.049 -7.827 1.00 0.00 N ATOM 884 CA GLY A 51 8.555 -1.271 -7.421 1.00 0.00 C ATOM 885 C GLY A 51 7.939 -1.835 -6.147 1.00 0.00 C ATOM 886 O GLY A 51 7.016 -2.641 -6.205 1.00 0.00 O ATOM 0 H GLY A 51 6.846 -0.166 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.498 -2.012 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.612 -1.058 -7.258 1.00 0.00 H new ATOM 890 N LEU A 52 8.447 -1.389 -4.998 1.00 0.00 N ATOM 891 CA LEU A 52 7.970 -1.770 -3.655 1.00 0.00 C ATOM 892 C LEU A 52 8.461 -0.820 -2.549 1.00 0.00 C ATOM 893 O LEU A 52 7.731 -0.534 -1.603 1.00 0.00 O ATOM 894 CB LEU A 52 8.438 -3.216 -3.370 1.00 0.00 C ATOM 895 CG LEU A 52 8.050 -3.790 -1.995 1.00 0.00 C ATOM 896 CD1 LEU A 52 6.543 -3.787 -1.747 1.00 0.00 C ATOM 897 CD2 LEU A 52 8.534 -5.236 -1.911 1.00 0.00 C ATOM 0 H LEU A 52 9.226 -0.732 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 52 6.882 -1.702 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.030 -3.868 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.523 -3.251 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 52 8.515 -3.153 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.336 -4.204 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.168 -2.764 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.048 -4.391 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.265 -5.654 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.066 -5.823 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.617 -5.265 -2.031 1.00 0.00 H new ATOM 909 N ASN A 53 9.695 -0.326 -2.680 1.00 0.00 N ATOM 910 CA ASN A 53 10.382 0.480 -1.657 1.00 0.00 C ATOM 911 C ASN A 53 10.520 1.978 -2.003 1.00 0.00 C ATOM 912 O ASN A 53 11.015 2.755 -1.185 1.00 0.00 O ATOM 913 CB ASN A 53 11.725 -0.190 -1.312 1.00 0.00 C ATOM 914 CG ASN A 53 11.535 -1.481 -0.530 1.00 0.00 C ATOM 915 OD1 ASN A 53 11.115 -1.480 0.618 1.00 0.00 O ATOM 916 ND2 ASN A 53 11.823 -2.624 -1.113 1.00 0.00 N ATOM 0 H ASN A 53 10.260 -0.476 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 53 9.750 0.495 -0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.272 -0.400 -2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.335 0.500 -0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.695 -3.501 -0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.174 -2.634 -2.071 1.00 0.00 H new ATOM 923 N ASN A 54 10.067 2.394 -3.192 1.00 0.00 N ATOM 924 CA ASN A 54 10.106 3.792 -3.650 1.00 0.00 C ATOM 925 C ASN A 54 8.788 4.553 -3.377 1.00 0.00 C ATOM 926 O ASN A 54 8.774 5.786 -3.371 1.00 0.00 O ATOM 927 CB ASN A 54 10.508 3.811 -5.134 1.00 0.00 C ATOM 928 CG ASN A 54 11.800 3.051 -5.388 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.868 3.411 -4.915 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.736 1.945 -6.096 1.00 0.00 N ATOM 0 H ASN A 54 9.656 1.759 -3.876 1.00 0.00 H new ATOM 0 HA ASN A 54 10.855 4.332 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.708 3.374 -5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.625 4.843 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.577 1.389 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.845 1.643 -6.491 1.00 0.00 H new ATOM 937 N LEU A 55 7.692 3.825 -3.126 1.00 0.00 N ATOM 938 CA LEU A 55 6.411 4.357 -2.636 1.00 0.00 C ATOM 939 C LEU A 55 6.485 4.757 -1.152 1.00 0.00 C ATOM 940 O LEU A 55 7.394 4.329 -0.436 1.00 0.00 O ATOM 941 CB LEU A 55 5.305 3.322 -2.921 1.00 0.00 C ATOM 942 CG LEU A 55 5.416 1.980 -2.170 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.621 1.967 -0.867 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.874 0.846 -3.040 1.00 0.00 C ATOM 0 H LEU A 55 7.671 2.814 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 55 6.171 5.278 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.343 3.773 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.297 3.116 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 55 6.474 1.846 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.735 0.998 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.992 2.751 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.567 2.143 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.957 -0.098 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.828 1.038 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.451 0.788 -3.963 1.00 0.00 H new ATOM 956 N ASN A 56 5.509 5.538 -0.674 1.00 0.00 N ATOM 957 CA ASN A 56 5.343 5.836 0.749 1.00 0.00 C ATOM 958 C ASN A 56 4.024 5.264 1.299 1.00 0.00 C ATOM 959 O ASN A 56 3.170 4.761 0.566 1.00 0.00 O ATOM 960 CB ASN A 56 5.549 7.348 0.987 1.00 0.00 C ATOM 961 CG ASN A 56 4.402 8.245 0.548 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.247 7.861 0.472 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.672 9.500 0.295 1.00 0.00 N ATOM 0 H ASN A 56 4.810 5.982 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 56 6.112 5.327 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.726 7.509 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.452 7.660 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.922 10.141 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.633 9.837 0.354 1.00 0.00 H new ATOM 970 N ALA A 57 3.866 5.356 2.614 1.00 0.00 N ATOM 971 CA ALA A 57 2.681 4.905 3.336 1.00 0.00 C ATOM 972 C ALA A 57 1.563 5.963 3.358 1.00 0.00 C ATOM 973 O ALA A 57 0.394 5.629 3.549 1.00 0.00 O ATOM 974 CB ALA A 57 3.163 4.555 4.739 1.00 0.00 C ATOM 0 H ALA A 57 4.578 5.757 3.225 1.00 0.00 H new ATOM 0 HA ALA A 57 2.230 4.044 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.321 4.208 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.915 3.768 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.599 5.439 5.205 1.00 0.00 H new ATOM 980 N THR A 58 1.912 7.234 3.148 1.00 0.00 N ATOM 981 CA THR A 58 1.006 8.389 3.163 1.00 0.00 C ATOM 982 C THR A 58 -0.044 8.297 2.054 1.00 0.00 C ATOM 983 O THR A 58 -1.236 8.395 2.325 1.00 0.00 O ATOM 984 CB THR A 58 1.823 9.690 3.032 1.00 0.00 C ATOM 985 OG1 THR A 58 2.885 9.692 3.967 1.00 0.00 O ATOM 986 CG2 THR A 58 0.989 10.943 3.285 1.00 0.00 C ATOM 0 H THR A 58 2.877 7.500 2.954 1.00 0.00 H new ATOM 0 HA THR A 58 0.472 8.393 4.113 1.00 0.00 H new ATOM 0 HB THR A 58 2.190 9.714 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.400 10.521 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.618 11.827 3.179 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.174 10.989 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.579 10.909 4.294 1.00 0.00 H new ATOM 994 N GLU A 59 0.355 8.046 0.806 1.00 0.00 N ATOM 995 CA GLU A 59 -0.585 7.955 -0.328 1.00 0.00 C ATOM 996 C GLU A 59 -1.526 6.746 -0.209 1.00 0.00 C ATOM 997 O GLU A 59 -2.743 6.884 -0.365 1.00 0.00 O ATOM 998 CB GLU A 59 0.162 7.907 -1.669 1.00 0.00 C ATOM 999 CG GLU A 59 1.055 9.131 -1.911 1.00 0.00 C ATOM 1000 CD GLU A 59 1.262 9.364 -3.417 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.492 10.150 -4.024 1.00 0.00 O ATOM 1002 OE2 GLU A 59 2.192 8.757 -3.997 1.00 0.00 O ATOM 0 H GLU A 59 1.331 7.900 0.547 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.195 8.858 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.775 7.006 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.564 7.830 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.601 10.013 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.020 8.986 -1.425 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.972 5.577 0.132 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.730 4.369 0.490 1.00 0.00 C ATOM 1011 C LEU A 60 -2.773 4.640 1.590 1.00 0.00 C ATOM 1012 O LEU A 60 -3.956 4.377 1.387 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.754 3.260 0.937 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.207 2.380 -0.202 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.522 3.156 -1.294 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.765 1.355 0.379 1.00 0.00 C ATOM 0 H LEU A 60 0.038 5.440 0.168 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.278 4.044 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.086 3.723 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.260 2.620 1.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.076 1.912 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.876 2.464 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.160 3.877 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.372 3.683 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.156 0.729 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.589 1.873 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.245 0.731 1.106 1.00 0.00 H new ATOM 1028 N SER A 61 -2.368 5.200 2.734 1.00 0.00 N ATOM 1029 CA SER A 61 -3.260 5.460 3.875 1.00 0.00 C ATOM 1030 C SER A 61 -4.324 6.525 3.591 1.00 0.00 C ATOM 1031 O SER A 61 -5.431 6.427 4.124 1.00 0.00 O ATOM 1032 CB SER A 61 -2.470 5.788 5.148 1.00 0.00 C ATOM 1033 OG SER A 61 -1.578 6.865 4.966 1.00 0.00 O ATOM 0 H SER A 61 -1.404 5.489 2.898 1.00 0.00 H new ATOM 0 HA SER A 61 -3.802 4.529 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.166 6.028 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.911 4.907 5.463 1.00 0.00 H new ATOM 0 HG SER A 61 -0.805 6.565 4.445 1.00 0.00 H new ATOM 1039 N LYS A 62 -4.045 7.474 2.688 1.00 0.00 N ATOM 1040 CA LYS A 62 -5.002 8.485 2.196 1.00 0.00 C ATOM 1041 C LYS A 62 -6.083 7.883 1.291 1.00 0.00 C ATOM 1042 O LYS A 62 -7.265 8.171 1.486 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.251 9.609 1.458 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.522 10.565 2.417 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.465 11.420 1.692 1.00 0.00 C ATOM 1046 CE LYS A 62 -3.034 12.374 0.628 1.00 0.00 C ATOM 1047 NZ LYS A 62 -3.824 13.484 1.226 1.00 0.00 N ATOM 0 H LYS A 62 -3.122 7.566 2.265 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.512 8.896 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.528 9.168 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.958 10.177 0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.249 11.219 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.041 9.988 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.920 12.006 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.743 10.756 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.215 12.790 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.665 11.812 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.186 14.099 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.622 13.091 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.217 14.039 1.862 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.702 7.038 0.321 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.636 6.416 -0.646 1.00 0.00 C ATOM 1063 C ARG A 63 -7.415 5.230 -0.067 1.00 0.00 C ATOM 1064 O ARG A 63 -8.609 5.095 -0.329 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.872 5.998 -1.914 1.00 0.00 C ATOM 1066 CG ARG A 63 -5.623 7.182 -2.858 1.00 0.00 C ATOM 1067 CD ARG A 63 -4.916 6.715 -4.138 1.00 0.00 C ATOM 1068 NE ARG A 63 -5.023 7.715 -5.221 1.00 0.00 N ATOM 1069 CZ ARG A 63 -4.261 8.774 -5.429 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -4.492 9.555 -6.446 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -3.266 9.082 -4.646 1.00 0.00 N ATOM 0 H ARG A 63 -4.730 6.761 0.180 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.382 7.171 -0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.917 5.554 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.438 5.229 -2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.571 7.656 -3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.015 7.934 -2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.865 6.523 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.351 5.772 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.779 7.570 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.262 9.349 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.903 10.372 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.052 8.497 -3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.701 9.909 -4.841 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.750 4.386 0.721 1.00 0.00 N ATOM 1086 CA LEU A 64 -7.308 3.166 1.327 1.00 0.00 C ATOM 1087 C LEU A 64 -8.028 3.467 2.661 1.00 0.00 C ATOM 1088 O LEU A 64 -8.889 2.698 3.083 1.00 0.00 O ATOM 1089 CB LEU A 64 -6.142 2.162 1.437 1.00 0.00 C ATOM 1090 CG LEU A 64 -6.447 0.655 1.437 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -5.139 -0.084 1.141 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -6.988 0.105 2.754 1.00 0.00 C ATOM 0 H LEU A 64 -5.771 4.534 0.967 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.094 2.728 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.461 2.359 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.601 2.387 2.356 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.226 0.502 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.322 -1.159 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.758 0.226 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.404 0.154 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.172 -0.965 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.259 0.275 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.920 0.611 3.004 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.738 4.622 3.281 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.327 5.098 4.542 1.00 0.00 C ATOM 1106 C ASN A 65 -7.988 4.165 5.725 1.00 0.00 C ATOM 1107 O ASN A 65 -8.849 3.499 6.307 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.822 5.433 4.342 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.397 6.278 5.468 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.626 7.473 5.330 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.647 5.699 6.619 1.00 0.00 N ATOM 0 H ASN A 65 -7.056 5.278 2.900 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.866 6.041 4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.947 5.963 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.389 4.506 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.030 6.244 7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.459 4.704 6.741 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.698 4.134 6.061 1.00 0.00 N ATOM 1119 CA ILE A 66 -6.084 3.359 7.156 1.00 0.00 C ATOM 1120 C ILE A 66 -5.142 4.237 7.988 1.00 0.00 C ATOM 1121 O ILE A 66 -4.826 5.375 7.640 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.332 2.098 6.634 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.477 2.415 5.393 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.321 0.948 6.438 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.616 1.282 4.835 1.00 0.00 C ATOM 0 H ILE A 66 -6.006 4.681 5.549 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.897 3.014 7.794 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.613 1.768 7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.143 2.756 4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.821 3.250 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.789 0.069 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.800 0.714 7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.080 1.240 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.066 1.638 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.912 0.950 5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.255 0.448 4.544 1.00 0.00 H new ATOM 1137 N THR A 67 -4.660 3.664 9.086 1.00 0.00 N ATOM 1138 CA THR A 67 -3.532 4.165 9.875 1.00 0.00 C ATOM 1139 C THR A 67 -2.255 4.074 9.035 1.00 0.00 C ATOM 1140 O THR A 67 -2.019 3.055 8.379 1.00 0.00 O ATOM 1141 CB THR A 67 -3.424 3.321 11.156 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.571 3.536 11.951 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.206 3.641 12.014 1.00 0.00 C ATOM 0 H THR A 67 -5.057 2.805 9.468 1.00 0.00 H new ATOM 0 HA THR A 67 -3.679 5.208 10.154 1.00 0.00 H new ATOM 0 HB THR A 67 -3.330 2.287 10.823 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.508 2.999 12.768 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.205 3.002 12.897 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.298 3.464 11.437 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.242 4.686 12.322 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.398 5.101 9.072 1.00 0.00 N ATOM 1152 CA VAL A 68 -0.142 5.134 8.289 1.00 0.00 C ATOM 1153 C VAL A 68 0.745 3.931 8.624 1.00 0.00 C ATOM 1154 O VAL A 68 1.313 3.296 7.740 1.00 0.00 O ATOM 1155 CB VAL A 68 0.634 6.451 8.515 1.00 0.00 C ATOM 1156 CG1 VAL A 68 1.804 6.582 7.532 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.250 7.695 8.342 1.00 0.00 C ATOM 0 H VAL A 68 -1.548 5.934 9.642 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.416 5.081 7.235 1.00 0.00 H new ATOM 0 HB VAL A 68 0.994 6.402 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.331 7.518 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.490 5.747 7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.424 6.574 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.346 8.592 8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.655 7.715 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.069 7.662 9.061 1.00 0.00 H new ATOM 1167 N ASP A 69 0.794 3.544 9.899 1.00 0.00 N ATOM 1168 CA ASP A 69 1.599 2.415 10.374 1.00 0.00 C ATOM 1169 C ASP A 69 1.080 1.042 9.918 1.00 0.00 C ATOM 1170 O ASP A 69 1.883 0.126 9.713 1.00 0.00 O ATOM 1171 CB ASP A 69 1.746 2.503 11.898 1.00 0.00 C ATOM 1172 CG ASP A 69 2.832 1.550 12.423 1.00 0.00 C ATOM 1173 OD1 ASP A 69 4.028 1.792 12.135 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.495 0.585 13.150 1.00 0.00 O ATOM 0 H ASP A 69 0.271 4.010 10.640 1.00 0.00 H new ATOM 0 HA ASP A 69 2.582 2.497 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.993 3.526 12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.793 2.263 12.370 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.229 0.905 9.646 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.769 -0.296 8.994 1.00 0.00 C ATOM 1181 C LYS A 70 -0.273 -0.416 7.560 1.00 0.00 C ATOM 1182 O LYS A 70 0.115 -1.508 7.164 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.308 -0.343 9.057 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.804 -1.044 10.329 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.338 -1.152 10.336 1.00 0.00 C ATOM 1186 CE LYS A 70 -4.857 -2.183 11.349 1.00 0.00 C ATOM 1187 NZ LYS A 70 -4.588 -1.796 12.760 1.00 0.00 N ATOM 0 H LYS A 70 -0.930 1.611 9.868 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.398 -1.157 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.705 0.672 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.692 -0.865 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.365 -2.040 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.471 -0.491 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.765 -0.176 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.683 -1.424 9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.931 -2.311 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.392 -3.148 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.960 -2.528 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.563 -1.700 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.053 -0.889 12.966 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.179 0.687 6.816 1.00 0.00 N ATOM 1202 CA ALA A 71 0.389 0.673 5.464 1.00 0.00 C ATOM 1203 C ALA A 71 1.897 0.363 5.521 1.00 0.00 C ATOM 1204 O ALA A 71 2.365 -0.530 4.815 1.00 0.00 O ATOM 1205 CB ALA A 71 0.090 2.016 4.779 1.00 0.00 C ATOM 0 H ALA A 71 -0.490 1.607 7.128 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.071 -0.117 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.510 2.013 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.989 2.163 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.537 2.826 5.356 1.00 0.00 H new ATOM 1211 N LYS A 72 2.637 1.014 6.432 1.00 0.00 N ATOM 1212 CA LYS A 72 4.092 0.828 6.626 1.00 0.00 C ATOM 1213 C LYS A 72 4.471 -0.636 6.872 1.00 0.00 C ATOM 1214 O LYS A 72 5.450 -1.107 6.293 1.00 0.00 O ATOM 1215 CB LYS A 72 4.602 1.686 7.798 1.00 0.00 C ATOM 1216 CG LYS A 72 4.687 3.187 7.490 1.00 0.00 C ATOM 1217 CD LYS A 72 4.969 4.081 8.709 1.00 0.00 C ATOM 1218 CE LYS A 72 6.146 3.590 9.560 1.00 0.00 C ATOM 1219 NZ LYS A 72 6.496 4.561 10.631 1.00 0.00 N ATOM 0 H LYS A 72 2.236 1.701 7.071 1.00 0.00 H new ATOM 0 HA LYS A 72 4.567 1.148 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.944 1.539 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.590 1.330 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.471 3.348 6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.749 3.504 7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.175 5.095 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.075 4.129 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.894 2.629 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.013 3.426 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.296 4.194 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.761 5.471 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.676 4.699 11.256 1.00 0.00 H new ATOM 1233 N THR A 73 3.701 -1.366 7.687 1.00 0.00 N ATOM 1234 CA THR A 73 3.962 -2.801 7.922 1.00 0.00 C ATOM 1235 C THR A 73 3.362 -3.695 6.836 1.00 0.00 C ATOM 1236 O THR A 73 4.016 -4.639 6.392 1.00 0.00 O ATOM 1237 CB THR A 73 3.562 -3.239 9.340 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.187 -4.474 9.619 1.00 0.00 O ATOM 1239 CG2 THR A 73 2.062 -3.417 9.567 1.00 0.00 C ATOM 0 H THR A 73 2.897 -0.996 8.194 1.00 0.00 H new ATOM 0 HA THR A 73 5.042 -2.934 7.853 1.00 0.00 H new ATOM 0 HB THR A 73 3.881 -2.432 9.999 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.943 -4.767 10.522 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.884 -3.727 10.597 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.551 -2.473 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.679 -4.179 8.888 1.00 0.00 H new ATOM 1247 N TYR A 74 2.170 -3.380 6.322 1.00 0.00 N ATOM 1248 CA TYR A 74 1.495 -4.187 5.302 1.00 0.00 C ATOM 1249 C TYR A 74 2.278 -4.274 3.978 1.00 0.00 C ATOM 1250 O TYR A 74 2.306 -5.337 3.353 1.00 0.00 O ATOM 1251 CB TYR A 74 0.082 -3.638 5.088 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.658 -4.355 3.993 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -0.762 -3.754 2.728 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.141 -5.659 4.210 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.324 -4.474 1.665 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.686 -6.387 3.138 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.747 -5.809 1.854 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.151 -6.563 0.798 1.00 0.00 O ATOM 0 H TYR A 74 1.643 -2.553 6.603 1.00 0.00 H new ATOM 0 HA TYR A 74 1.440 -5.213 5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.481 -3.722 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.141 -2.577 4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.411 -2.744 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.093 -6.098 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.434 -4.007 0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.058 -7.388 3.298 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.406 -7.456 1.112 1.00 0.00 H new ATOM 1268 N ILE A 75 2.995 -3.205 3.603 1.00 0.00 N ATOM 1269 CA ILE A 75 3.921 -3.168 2.456 1.00 0.00 C ATOM 1270 C ILE A 75 4.886 -4.369 2.473 1.00 0.00 C ATOM 1271 O ILE A 75 5.022 -5.062 1.462 1.00 0.00 O ATOM 1272 CB ILE A 75 4.668 -1.808 2.452 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.737 -0.673 1.963 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.928 -1.830 1.571 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.225 0.726 2.379 1.00 0.00 C ATOM 0 H ILE A 75 2.947 -2.316 4.101 1.00 0.00 H new ATOM 0 HA ILE A 75 3.355 -3.253 1.528 1.00 0.00 H new ATOM 0 HB ILE A 75 4.974 -1.625 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.660 -0.717 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.735 -0.835 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.412 -0.854 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.617 -2.590 1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.649 -2.062 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.531 1.479 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.276 0.785 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.215 0.906 1.959 1.00 0.00 H new ATOM 1287 N LYS A 76 5.506 -4.683 3.619 1.00 0.00 N ATOM 1288 CA LYS A 76 6.377 -5.866 3.769 1.00 0.00 C ATOM 1289 C LYS A 76 5.627 -7.139 4.157 1.00 0.00 C ATOM 1290 O LYS A 76 6.074 -8.222 3.793 1.00 0.00 O ATOM 1291 CB LYS A 76 7.541 -5.564 4.736 1.00 0.00 C ATOM 1292 CG LYS A 76 7.097 -5.148 6.150 1.00 0.00 C ATOM 1293 CD LYS A 76 8.291 -5.052 7.110 1.00 0.00 C ATOM 1294 CE LYS A 76 7.906 -4.488 8.488 1.00 0.00 C ATOM 1295 NZ LYS A 76 6.947 -5.351 9.229 1.00 0.00 N ATOM 0 H LYS A 76 5.420 -4.127 4.470 1.00 0.00 H new ATOM 0 HA LYS A 76 6.791 -6.073 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.174 -6.448 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.154 -4.769 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.588 -4.185 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.378 -5.871 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.729 -6.042 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.059 -4.419 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.808 -4.362 9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.468 -3.498 8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.020 -4.881 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.849 -6.262 8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.300 -5.514 10.194 1.00 0.00 H new ATOM 1309 N ASN A 77 4.484 -7.039 4.831 1.00 0.00 N ATOM 1310 CA ASN A 77 3.705 -8.205 5.258 1.00 0.00 C ATOM 1311 C ASN A 77 3.104 -8.985 4.070 1.00 0.00 C ATOM 1312 O ASN A 77 3.004 -10.211 4.121 1.00 0.00 O ATOM 1313 CB ASN A 77 2.618 -7.742 6.242 1.00 0.00 C ATOM 1314 CG ASN A 77 2.193 -8.858 7.175 1.00 0.00 C ATOM 1315 OD1 ASN A 77 1.194 -9.534 6.974 1.00 0.00 O ATOM 1316 ND2 ASN A 77 2.953 -9.084 8.224 1.00 0.00 N ATOM 0 H ASN A 77 4.069 -6.147 5.098 1.00 0.00 H new ATOM 0 HA ASN A 77 4.375 -8.905 5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.991 -6.901 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.752 -7.384 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.711 -9.828 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.784 -8.515 8.384 1.00 0.00 H new ATOM 1420 N THR A 84 12.435 -13.506 -0.538 1.00 0.00 N ATOM 1421 CA THR A 84 12.986 -13.870 0.790 1.00 0.00 C ATOM 1422 C THR A 84 14.206 -13.038 1.223 1.00 0.00 C ATOM 1423 O THR A 84 14.987 -13.458 2.079 1.00 0.00 O ATOM 1424 CB THR A 84 13.314 -15.376 0.835 1.00 0.00 C ATOM 1425 OG1 THR A 84 14.251 -15.699 -0.172 1.00 0.00 O ATOM 1426 CG2 THR A 84 12.071 -16.224 0.572 1.00 0.00 C ATOM 0 HA THR A 84 12.204 -13.635 1.512 1.00 0.00 H new ATOM 0 HB THR A 84 13.709 -15.586 1.829 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.106 -15.123 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.336 -17.280 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.318 -16.011 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.670 -15.986 -0.413 1.00 0.00 H new ATOM 1434 N ASN A 85 14.386 -11.852 0.624 1.00 0.00 N ATOM 1435 CA ASN A 85 15.572 -10.987 0.765 1.00 0.00 C ATOM 1436 C ASN A 85 16.866 -11.725 0.358 1.00 0.00 C ATOM 1437 O ASN A 85 17.917 -11.622 0.989 1.00 0.00 O ATOM 1438 CB ASN A 85 15.566 -10.316 2.160 1.00 0.00 C ATOM 1439 CG ASN A 85 16.615 -9.228 2.332 1.00 0.00 C ATOM 1440 OD1 ASN A 85 17.576 -9.364 3.077 1.00 0.00 O ATOM 1441 ND2 ASN A 85 16.468 -8.106 1.664 1.00 0.00 N ATOM 0 H ASN A 85 13.683 -11.451 0.003 1.00 0.00 H new ATOM 0 HA ASN A 85 15.533 -10.161 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.580 -9.887 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 85 15.724 -11.081 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.152 -7.357 1.769 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.670 -7.984 1.041 1.00 0.00 H new ATOM 1448 N ASN A 86 16.759 -12.502 -0.722 1.00 0.00 N ATOM 1449 CA ASN A 86 17.804 -13.381 -1.243 1.00 0.00 C ATOM 1450 C ASN A 86 18.856 -12.685 -2.118 1.00 0.00 C ATOM 1451 O ASN A 86 19.920 -13.237 -2.388 1.00 0.00 O ATOM 1452 CB ASN A 86 17.084 -14.465 -2.074 1.00 0.00 C ATOM 1453 CG ASN A 86 17.877 -15.749 -2.092 1.00 0.00 C ATOM 1454 OD1 ASN A 86 18.331 -16.248 -3.112 1.00 0.00 O ATOM 1455 ND2 ASN A 86 18.049 -16.304 -0.920 1.00 0.00 N ATOM 0 H ASN A 86 15.906 -12.536 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 86 18.363 -13.779 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.094 -14.651 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.938 -14.109 -3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.573 -17.175 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.659 -15.865 -0.086 1.00 0.00 H new ATOM 1462 N PHE A 87 18.515 -11.504 -2.626 1.00 0.00 N ATOM 1463 CA PHE A 87 18.885 -11.069 -3.975 1.00 0.00 C ATOM 1464 C PHE A 87 19.818 -9.841 -3.999 1.00 0.00 C ATOM 1465 O PHE A 87 20.049 -9.230 -5.043 1.00 0.00 O ATOM 1466 CB PHE A 87 17.566 -10.846 -4.735 1.00 0.00 C ATOM 1467 CG PHE A 87 16.674 -9.765 -4.147 1.00 0.00 C ATOM 1468 CD1 PHE A 87 16.859 -8.419 -4.514 1.00 0.00 C ATOM 1469 CD2 PHE A 87 15.666 -10.105 -3.220 1.00 0.00 C ATOM 1470 CE1 PHE A 87 16.053 -7.415 -3.950 1.00 0.00 C ATOM 1471 CE2 PHE A 87 14.858 -9.099 -2.656 1.00 0.00 C ATOM 1472 CZ PHE A 87 15.055 -7.754 -3.019 1.00 0.00 C ATOM 0 H PHE A 87 17.969 -10.814 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 87 19.486 -11.835 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 87 17.796 -10.587 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 87 17.012 -11.784 -4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 87 17.623 -8.157 -5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.514 -11.138 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.200 -6.383 -4.232 1.00 0.00 H new ATOM 0 HE2 PHE A 87 14.088 -9.360 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.439 -6.981 -2.582 1.00 0.00 H new ATOM 1482 N LYS A 88 20.343 -9.469 -2.826 1.00 0.00 N ATOM 1483 CA LYS A 88 21.044 -8.198 -2.543 1.00 0.00 C ATOM 1484 C LYS A 88 22.543 -8.192 -2.885 1.00 0.00 C ATOM 1485 O LYS A 88 23.199 -7.155 -2.783 1.00 0.00 O ATOM 1486 CB LYS A 88 20.796 -7.848 -1.064 1.00 0.00 C ATOM 1487 CG LYS A 88 21.405 -8.873 -0.081 1.00 0.00 C ATOM 1488 CD LYS A 88 20.422 -9.253 1.032 1.00 0.00 C ATOM 1489 CE LYS A 88 20.995 -10.383 1.896 1.00 0.00 C ATOM 1490 NZ LYS A 88 19.967 -10.917 2.822 1.00 0.00 N ATOM 0 H LYS A 88 20.291 -10.071 -2.004 1.00 0.00 H new ATOM 0 HA LYS A 88 20.632 -7.437 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 88 21.214 -6.863 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 88 19.722 -7.781 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 88 21.699 -9.769 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 88 22.311 -8.458 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 88 20.214 -8.382 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 88 19.474 -9.567 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 88 21.364 -11.184 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 88 21.847 -10.013 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.421 -11.220 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.267 -10.176 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.491 -11.730 2.381 1.00 0.00 H new ATOM 1504 N THR A 89 23.067 -9.357 -3.265 1.00 0.00 N ATOM 1505 CA THR A 89 24.500 -9.675 -3.321 1.00 0.00 C ATOM 1506 C THR A 89 24.812 -10.596 -4.505 1.00 0.00 C ATOM 1507 O THR A 89 25.742 -10.339 -5.265 1.00 0.00 O ATOM 1508 CB THR A 89 24.893 -10.354 -1.995 1.00 0.00 C ATOM 1509 OG1 THR A 89 24.749 -9.447 -0.922 1.00 0.00 O ATOM 1510 CG2 THR A 89 26.327 -10.856 -1.971 1.00 0.00 C ATOM 0 H THR A 89 22.482 -10.141 -3.555 1.00 0.00 H new ATOM 0 HA THR A 89 25.074 -8.759 -3.461 1.00 0.00 H new ATOM 0 HB THR A 89 24.225 -11.210 -1.898 1.00 0.00 H new ATOM 0 HG1 THR A 89 25.000 -9.889 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 89 26.533 -11.322 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 89 26.470 -11.588 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 89 27.008 -10.019 -2.122 1.00 0.00 H new ATOM 1518 N ILE A 90 24.014 -11.652 -4.692 1.00 0.00 N ATOM 1519 CA ILE A 90 24.097 -12.582 -5.827 1.00 0.00 C ATOM 1520 C ILE A 90 23.514 -11.971 -7.113 1.00 0.00 C ATOM 1521 O ILE A 90 22.983 -10.860 -7.096 1.00 0.00 O ATOM 1522 CB ILE A 90 23.451 -13.930 -5.449 1.00 0.00 C ATOM 1523 CG1 ILE A 90 21.955 -13.787 -5.100 1.00 0.00 C ATOM 1524 CG2 ILE A 90 24.246 -14.590 -4.306 1.00 0.00 C ATOM 1525 CD1 ILE A 90 21.234 -15.137 -5.073 1.00 0.00 C ATOM 0 H ILE A 90 23.269 -11.892 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 90 25.147 -12.773 -6.050 1.00 0.00 H new ATOM 0 HB ILE A 90 23.493 -14.581 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.855 -13.305 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 90 21.474 -13.135 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 90 23.784 -15.542 -4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 90 25.273 -14.762 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 90 24.244 -13.934 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 90 20.184 -14.984 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 90 21.308 -15.609 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 90 21.695 -15.781 -4.324 1.00 0.00 H new ATOM 1537 N LYS A 91 23.639 -12.682 -8.243 1.00 0.00 N ATOM 1538 CA LYS A 91 23.253 -12.263 -9.614 1.00 0.00 C ATOM 1539 C LYS A 91 24.042 -11.078 -10.211 1.00 0.00 C ATOM 1540 O LYS A 91 24.009 -10.891 -11.428 1.00 0.00 O ATOM 1541 CB LYS A 91 21.729 -12.001 -9.716 1.00 0.00 C ATOM 1542 CG LYS A 91 20.757 -13.057 -9.154 1.00 0.00 C ATOM 1543 CD LYS A 91 20.621 -14.342 -9.987 1.00 0.00 C ATOM 1544 CE LYS A 91 21.755 -15.349 -9.745 1.00 0.00 C ATOM 1545 NZ LYS A 91 21.546 -16.597 -10.527 1.00 0.00 N ATOM 0 H LYS A 91 24.035 -13.622 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 91 23.531 -13.119 -10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 91 21.521 -11.058 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 91 21.488 -11.857 -10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.084 -13.329 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.771 -12.602 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.668 -14.817 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.598 -14.080 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.709 -14.899 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 91 21.811 -15.588 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.328 -17.257 -10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.647 -17.037 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.516 -16.370 -11.542 1.00 0.00 H new ATOM 1559 N MET A 92 24.771 -10.308 -9.395 1.00 0.00 N ATOM 1560 CA MET A 92 25.525 -9.103 -9.793 1.00 0.00 C ATOM 1561 C MET A 92 27.028 -9.150 -9.440 1.00 0.00 C ATOM 1562 O MET A 92 27.750 -8.181 -9.689 1.00 0.00 O ATOM 1563 CB MET A 92 24.845 -7.856 -9.192 1.00 0.00 C ATOM 1564 CG MET A 92 24.593 -7.970 -7.679 1.00 0.00 C ATOM 1565 SD MET A 92 24.679 -6.415 -6.754 1.00 0.00 S ATOM 1566 CE MET A 92 26.456 -6.411 -6.391 1.00 0.00 C ATOM 0 H MET A 92 24.858 -10.511 -8.399 1.00 0.00 H new ATOM 0 HA MET A 92 25.499 -9.056 -10.882 1.00 0.00 H new ATOM 0 HB2 MET A 92 25.468 -6.983 -9.385 1.00 0.00 H new ATOM 0 HB3 MET A 92 23.895 -7.688 -9.700 1.00 0.00 H new ATOM 0 HG2 MET A 92 23.608 -8.410 -7.525 1.00 0.00 H new ATOM 0 HG3 MET A 92 25.321 -8.663 -7.258 1.00 0.00 H new ATOM 0 HE1 MET A 92 26.708 -5.518 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 92 26.711 -7.298 -5.811 1.00 0.00 H new ATOM 0 HE3 MET A 92 27.018 -6.414 -7.325 1.00 0.00 H new ATOM 1576 N PHE A 93 27.504 -10.251 -8.846 1.00 0.00 N ATOM 1577 CA PHE A 93 28.821 -10.337 -8.191 1.00 0.00 C ATOM 1578 C PHE A 93 29.634 -11.601 -8.547 1.00 0.00 C ATOM 1579 O PHE A 93 30.815 -11.699 -8.214 1.00 0.00 O ATOM 1580 CB PHE A 93 28.558 -10.237 -6.681 1.00 0.00 C ATOM 1581 CG PHE A 93 29.758 -9.899 -5.823 1.00 0.00 C ATOM 1582 CD1 PHE A 93 30.426 -10.904 -5.099 1.00 0.00 C ATOM 1583 CD2 PHE A 93 30.178 -8.560 -5.720 1.00 0.00 C ATOM 1584 CE1 PHE A 93 31.520 -10.570 -4.279 1.00 0.00 C ATOM 1585 CE2 PHE A 93 31.271 -8.226 -4.899 1.00 0.00 C ATOM 1586 CZ PHE A 93 31.941 -9.232 -4.179 1.00 0.00 C ATOM 0 H PHE A 93 26.978 -11.124 -8.805 1.00 0.00 H new ATOM 0 HA PHE A 93 29.451 -9.524 -8.551 1.00 0.00 H new ATOM 0 HB2 PHE A 93 27.792 -9.480 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 93 28.147 -11.187 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 93 30.099 -11.931 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 93 29.661 -7.788 -6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 93 32.036 -11.341 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 93 31.595 -7.199 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 93 32.780 -8.976 -3.549 1.00 0.00 H new ATOM 1596 N GLU A 94 29.023 -12.574 -9.232 1.00 0.00 N ATOM 1597 CA GLU A 94 29.613 -13.888 -9.534 1.00 0.00 C ATOM 1598 C GLU A 94 30.044 -13.968 -11.010 1.00 0.00 C ATOM 1599 O GLU A 94 29.242 -14.278 -11.896 1.00 0.00 O ATOM 1600 CB GLU A 94 28.614 -14.999 -9.160 1.00 0.00 C ATOM 1601 CG GLU A 94 28.316 -15.056 -7.655 1.00 0.00 C ATOM 1602 CD GLU A 94 27.269 -16.143 -7.350 1.00 0.00 C ATOM 1603 OE1 GLU A 94 26.052 -15.866 -7.494 1.00 0.00 O ATOM 1604 OE2 GLU A 94 27.654 -17.274 -6.964 1.00 0.00 O ATOM 0 H GLU A 94 28.079 -12.469 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 94 30.514 -14.028 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 94 27.683 -14.840 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 94 29.012 -15.961 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 94 29.234 -15.263 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 94 27.952 -14.087 -7.314 1.00 0.00 H new