USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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= 1.04 K(o=1,f=0.13) USER MOD Set 2.1: A 67 THR OG1 : rot -129:sc= 0.912 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 150:sc= 1.02 (180deg=-0.0167) USER MOD Set 3.1: A 36 SER OG : rot -34:sc= 0.0953 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.0904 K(o=0.0049,f=-4.9!) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.16) 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=-0.13) USER MOD Single : A 54 ASN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.169 K(o=0.17,f=-8.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -40:sc= 1.17 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.369 X(o=0.37,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 25:sc= 0.151 USER MOD Single : A 85 ASN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.022 X(o=-0.022,f=-0.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -173:sc= 0 (180deg=-0.0447) USER MOD ----------------------------------------------------------------- ATOM 623 N LEU A 35 -9.163 -6.052 3.209 1.00 0.00 N ATOM 624 CA LEU A 35 -8.987 -5.949 1.767 1.00 0.00 C ATOM 625 C LEU A 35 -9.967 -6.873 1.039 1.00 0.00 C ATOM 626 O LEU A 35 -10.135 -8.043 1.390 1.00 0.00 O ATOM 627 CB LEU A 35 -7.543 -6.290 1.353 1.00 0.00 C ATOM 628 CG LEU A 35 -6.500 -5.226 1.740 1.00 0.00 C ATOM 629 CD1 LEU A 35 -5.834 -5.494 3.091 1.00 0.00 C ATOM 630 CD2 LEU A 35 -5.400 -5.187 0.681 1.00 0.00 C ATOM 0 HA LEU A 35 -9.190 -4.916 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.262 -7.239 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.513 -6.435 0.273 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.038 -4.280 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.110 -4.707 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.592 -5.510 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.324 -6.457 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.660 -4.434 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.919 -6.163 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.835 -4.936 -0.286 1.00 0.00 H new ATOM 642 N SER A 36 -10.555 -6.335 -0.022 1.00 0.00 N ATOM 643 CA SER A 36 -11.451 -7.038 -0.956 1.00 0.00 C ATOM 644 C SER A 36 -11.005 -6.897 -2.403 1.00 0.00 C ATOM 645 O SER A 36 -10.543 -7.863 -3.011 1.00 0.00 O ATOM 646 CB SER A 36 -12.922 -6.640 -0.735 1.00 0.00 C ATOM 647 OG SER A 36 -13.150 -5.259 -0.974 1.00 0.00 O ATOM 0 H SER A 36 -10.420 -5.356 -0.273 1.00 0.00 H new ATOM 0 HA SER A 36 -11.382 -8.103 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.558 -7.230 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.211 -6.882 0.288 1.00 0.00 H new ATOM 0 HG SER A 36 -12.360 -4.746 -0.704 1.00 0.00 H new ATOM 653 N GLU A 37 -11.120 -5.699 -2.962 1.00 0.00 N ATOM 654 CA GLU A 37 -10.975 -5.473 -4.400 1.00 0.00 C ATOM 655 C GLU A 37 -10.687 -4.011 -4.746 1.00 0.00 C ATOM 656 O GLU A 37 -9.896 -3.720 -5.643 1.00 0.00 O ATOM 657 CB GLU A 37 -12.290 -5.924 -5.063 1.00 0.00 C ATOM 658 CG GLU A 37 -11.983 -6.744 -6.312 1.00 0.00 C ATOM 659 CD GLU A 37 -13.271 -7.175 -7.038 1.00 0.00 C ATOM 660 OE1 GLU A 37 -13.822 -8.259 -6.720 1.00 0.00 O ATOM 661 OE2 GLU A 37 -13.740 -6.440 -7.940 1.00 0.00 O ATOM 0 H GLU A 37 -11.317 -4.851 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.120 -6.042 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.877 -6.518 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.892 -5.055 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.362 -6.158 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.407 -7.627 -6.036 1.00 0.00 H new ATOM 668 N GLU A 38 -11.260 -3.086 -3.975 1.00 0.00 N ATOM 669 CA GLU A 38 -10.962 -1.661 -4.068 1.00 0.00 C ATOM 670 C GLU A 38 -9.620 -1.329 -3.406 1.00 0.00 C ATOM 671 O GLU A 38 -9.087 -0.257 -3.657 1.00 0.00 O ATOM 672 CB GLU A 38 -12.117 -0.841 -3.471 1.00 0.00 C ATOM 673 CG GLU A 38 -13.366 -0.904 -4.360 1.00 0.00 C ATOM 674 CD GLU A 38 -14.515 -0.065 -3.770 1.00 0.00 C ATOM 675 OE1 GLU A 38 -15.302 -0.595 -2.948 1.00 0.00 O ATOM 676 OE2 GLU A 38 -14.649 1.130 -4.133 1.00 0.00 O ATOM 0 H GLU A 38 -11.952 -3.311 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.867 -1.391 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.357 -1.218 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.805 0.197 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.123 -0.541 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.687 -1.940 -4.467 1.00 0.00 H new ATOM 683 N GLN A 39 -9.043 -2.240 -2.609 1.00 0.00 N ATOM 684 CA GLN A 39 -7.789 -2.011 -1.878 1.00 0.00 C ATOM 685 C GLN A 39 -6.547 -2.346 -2.713 1.00 0.00 C ATOM 686 O GLN A 39 -5.589 -1.576 -2.762 1.00 0.00 O ATOM 687 CB GLN A 39 -7.804 -2.802 -0.558 1.00 0.00 C ATOM 688 CG GLN A 39 -8.754 -2.197 0.491 1.00 0.00 C ATOM 689 CD GLN A 39 -10.215 -2.331 0.096 1.00 0.00 C ATOM 690 OE1 GLN A 39 -10.683 -3.399 -0.274 1.00 0.00 O ATOM 691 NE2 GLN A 39 -10.957 -1.247 0.074 1.00 0.00 N ATOM 0 H GLN A 39 -9.439 -3.167 -2.452 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.725 -0.946 -1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.102 -3.831 -0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.794 -2.837 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.593 -2.690 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.513 -1.143 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.568 -0.356 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.922 -1.296 -0.251 1.00 0.00 H new ATOM 700 N LYS A 40 -6.566 -3.473 -3.432 1.00 0.00 N ATOM 701 CA LYS A 40 -5.455 -3.904 -4.305 1.00 0.00 C ATOM 702 C LYS A 40 -5.224 -2.945 -5.465 1.00 0.00 C ATOM 703 O LYS A 40 -4.073 -2.673 -5.805 1.00 0.00 O ATOM 704 CB LYS A 40 -5.733 -5.323 -4.814 1.00 0.00 C ATOM 705 CG LYS A 40 -5.580 -6.334 -3.667 1.00 0.00 C ATOM 706 CD LYS A 40 -6.523 -7.539 -3.806 1.00 0.00 C ATOM 707 CE LYS A 40 -7.243 -7.744 -2.469 1.00 0.00 C ATOM 708 NZ LYS A 40 -8.050 -8.992 -2.459 1.00 0.00 N ATOM 0 H LYS A 40 -7.355 -4.120 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.538 -3.899 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.740 -5.379 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.044 -5.570 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.549 -6.687 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.775 -5.833 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.245 -7.366 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.960 -8.433 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.509 -7.780 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.892 -6.891 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.054 -9.395 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.026 -8.777 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.636 -9.679 -3.121 1.00 0.00 H new ATOM 722 N LYS A 41 -6.289 -2.321 -5.972 1.00 0.00 N ATOM 723 CA LYS A 41 -6.179 -1.222 -6.967 1.00 0.00 C ATOM 724 C LYS A 41 -5.484 0.063 -6.466 1.00 0.00 C ATOM 725 O LYS A 41 -5.286 0.995 -7.246 1.00 0.00 O ATOM 726 CB LYS A 41 -7.520 -0.934 -7.669 1.00 0.00 C ATOM 727 CG LYS A 41 -8.570 -0.335 -6.726 1.00 0.00 C ATOM 728 CD LYS A 41 -9.712 0.401 -7.439 1.00 0.00 C ATOM 729 CE LYS A 41 -10.508 -0.503 -8.391 1.00 0.00 C ATOM 730 NZ LYS A 41 -11.604 0.250 -9.057 1.00 0.00 N ATOM 0 H LYS A 41 -7.249 -2.551 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.490 -1.612 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.350 -0.248 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.907 -1.859 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.993 -1.134 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.076 0.358 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.389 0.819 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.301 1.239 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.840 -0.920 -9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.926 -1.343 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.125 -0.386 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.253 0.627 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.201 1.036 -9.606 1.00 0.00 H new ATOM 744 N ILE A 42 -5.094 0.113 -5.189 1.00 0.00 N ATOM 745 CA ILE A 42 -4.317 1.203 -4.567 1.00 0.00 C ATOM 746 C ILE A 42 -2.896 0.755 -4.170 1.00 0.00 C ATOM 747 O ILE A 42 -2.033 1.609 -3.972 1.00 0.00 O ATOM 748 CB ILE A 42 -5.115 1.753 -3.362 1.00 0.00 C ATOM 749 CG1 ILE A 42 -6.472 2.341 -3.812 1.00 0.00 C ATOM 750 CG2 ILE A 42 -4.370 2.794 -2.502 1.00 0.00 C ATOM 751 CD1 ILE A 42 -7.538 2.136 -2.739 1.00 0.00 C ATOM 0 H ILE A 42 -5.317 -0.632 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.174 2.001 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.266 0.882 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.360 3.405 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.789 1.866 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.013 3.117 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.462 2.348 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.107 3.654 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.483 2.558 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.664 1.070 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.229 2.633 -1.819 1.00 0.00 H new ATOM 763 N VAL A 43 -2.625 -0.557 -4.077 1.00 0.00 N ATOM 764 CA VAL A 43 -1.348 -1.101 -3.562 1.00 0.00 C ATOM 765 C VAL A 43 -0.692 -2.108 -4.508 1.00 0.00 C ATOM 766 O VAL A 43 0.449 -1.895 -4.908 1.00 0.00 O ATOM 767 CB VAL A 43 -1.502 -1.691 -2.145 1.00 0.00 C ATOM 768 CG1 VAL A 43 -0.110 -2.019 -1.579 1.00 0.00 C ATOM 769 CG2 VAL A 43 -2.185 -0.698 -1.197 1.00 0.00 C ATOM 0 H VAL A 43 -3.288 -1.279 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.672 -0.248 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.117 -2.588 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.214 -2.436 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.384 -2.745 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.488 -1.109 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.278 -1.145 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.587 0.211 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.176 -0.453 -1.579 1.00 0.00 H new ATOM 779 N ALA A 44 -1.393 -3.154 -4.953 1.00 0.00 N ATOM 780 CA ALA A 44 -0.878 -4.053 -5.991 1.00 0.00 C ATOM 781 C ALA A 44 -0.662 -3.294 -7.317 1.00 0.00 C ATOM 782 O ALA A 44 0.355 -3.472 -7.989 1.00 0.00 O ATOM 783 CB ALA A 44 -1.848 -5.228 -6.160 1.00 0.00 C ATOM 0 H ALA A 44 -2.321 -3.400 -4.610 1.00 0.00 H new ATOM 0 HA ALA A 44 0.094 -4.443 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.473 -5.902 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.934 -5.767 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.828 -4.852 -6.453 1.00 0.00 H new ATOM 789 N ASP A 45 -1.566 -2.361 -7.636 1.00 0.00 N ATOM 790 CA ASP A 45 -1.413 -1.416 -8.751 1.00 0.00 C ATOM 791 C ASP A 45 -0.233 -0.437 -8.557 1.00 0.00 C ATOM 792 O ASP A 45 0.385 -0.008 -9.531 1.00 0.00 O ATOM 793 CB ASP A 45 -2.730 -0.652 -8.916 1.00 0.00 C ATOM 794 CG ASP A 45 -2.730 0.239 -10.171 1.00 0.00 C ATOM 795 OD1 ASP A 45 -2.674 1.484 -10.034 1.00 0.00 O ATOM 796 OD2 ASP A 45 -2.816 -0.309 -11.296 1.00 0.00 O ATOM 0 H ASP A 45 -2.437 -2.238 -7.120 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.180 -1.984 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.555 -1.362 -8.976 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.904 -0.035 -8.034 1.00 0.00 H new ATOM 801 N TYR A 46 0.129 -0.122 -7.308 1.00 0.00 N ATOM 802 CA TYR A 46 1.282 0.724 -6.968 1.00 0.00 C ATOM 803 C TYR A 46 2.612 -0.037 -7.133 1.00 0.00 C ATOM 804 O TYR A 46 3.594 0.489 -7.663 1.00 0.00 O ATOM 805 CB TYR A 46 1.100 1.255 -5.533 1.00 0.00 C ATOM 806 CG TYR A 46 1.729 2.595 -5.193 1.00 0.00 C ATOM 807 CD1 TYR A 46 2.724 3.170 -6.003 1.00 0.00 C ATOM 808 CD2 TYR A 46 1.296 3.279 -4.042 1.00 0.00 C ATOM 809 CE1 TYR A 46 3.266 4.426 -5.694 1.00 0.00 C ATOM 810 CE2 TYR A 46 1.832 4.543 -3.717 1.00 0.00 C ATOM 811 CZ TYR A 46 2.820 5.122 -4.547 1.00 0.00 C ATOM 812 OH TYR A 46 3.368 6.319 -4.205 1.00 0.00 O ATOM 0 H TYR A 46 -0.380 -0.454 -6.489 1.00 0.00 H new ATOM 0 HA TYR A 46 1.328 1.567 -7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.031 1.326 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.503 0.511 -4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.075 2.638 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.548 2.833 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.022 4.861 -6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.489 5.067 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 46 2.940 6.654 -3.390 1.00 0.00 H new ATOM 822 N ILE A 47 2.630 -1.323 -6.780 1.00 0.00 N ATOM 823 CA ILE A 47 3.744 -2.241 -7.060 1.00 0.00 C ATOM 824 C ILE A 47 3.983 -2.364 -8.579 1.00 0.00 C ATOM 825 O ILE A 47 5.131 -2.392 -9.025 1.00 0.00 O ATOM 826 CB ILE A 47 3.473 -3.576 -6.315 1.00 0.00 C ATOM 827 CG1 ILE A 47 4.071 -3.589 -4.890 1.00 0.00 C ATOM 828 CG2 ILE A 47 4.030 -4.809 -7.035 1.00 0.00 C ATOM 829 CD1 ILE A 47 3.783 -2.351 -4.039 1.00 0.00 C ATOM 0 H ILE A 47 1.859 -1.768 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 47 4.690 -1.857 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 47 2.385 -3.631 -6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.691 -4.465 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.151 -3.709 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.802 -5.703 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.574 -4.891 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.110 -4.711 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.249 -2.466 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.189 -1.468 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.706 -2.236 -3.917 1.00 0.00 H new ATOM 841 N SER A 48 2.925 -2.292 -9.392 1.00 0.00 N ATOM 842 CA SER A 48 3.026 -2.174 -10.856 1.00 0.00 C ATOM 843 C SER A 48 3.496 -0.797 -11.365 1.00 0.00 C ATOM 844 O SER A 48 3.790 -0.678 -12.557 1.00 0.00 O ATOM 845 CB SER A 48 1.685 -2.515 -11.517 1.00 0.00 C ATOM 846 OG SER A 48 1.295 -3.848 -11.219 1.00 0.00 O ATOM 0 H SER A 48 1.963 -2.314 -9.052 1.00 0.00 H new ATOM 0 HA SER A 48 3.799 -2.889 -11.138 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.918 -1.822 -11.171 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.765 -2.388 -12.597 1.00 0.00 H new ATOM 0 HG SER A 48 0.436 -4.042 -11.650 1.00 0.00 H new ATOM 852 N GLU A 49 3.582 0.247 -10.525 1.00 0.00 N ATOM 853 CA GLU A 49 3.874 1.621 -10.956 1.00 0.00 C ATOM 854 C GLU A 49 5.293 2.083 -10.573 1.00 0.00 C ATOM 855 O GLU A 49 5.976 2.693 -11.400 1.00 0.00 O ATOM 856 CB GLU A 49 2.789 2.544 -10.372 1.00 0.00 C ATOM 857 CG GLU A 49 2.788 3.965 -10.946 1.00 0.00 C ATOM 858 CD GLU A 49 2.324 4.004 -12.417 1.00 0.00 C ATOM 859 OE1 GLU A 49 3.180 3.959 -13.335 1.00 0.00 O ATOM 860 OE2 GLU A 49 1.098 4.098 -12.671 1.00 0.00 O ATOM 0 H GLU A 49 3.449 0.159 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 49 3.853 1.663 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.812 2.093 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.922 2.602 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.134 4.597 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.791 4.384 -10.873 1.00 0.00 H new ATOM 867 N VAL A 50 5.759 1.784 -9.349 1.00 0.00 N ATOM 868 CA VAL A 50 7.043 2.296 -8.809 1.00 0.00 C ATOM 869 C VAL A 50 7.983 1.214 -8.256 1.00 0.00 C ATOM 870 O VAL A 50 9.156 1.494 -8.020 1.00 0.00 O ATOM 871 CB VAL A 50 6.808 3.415 -7.772 1.00 0.00 C ATOM 872 CG1 VAL A 50 5.908 4.528 -8.323 1.00 0.00 C ATOM 873 CG2 VAL A 50 6.248 2.885 -6.450 1.00 0.00 C ATOM 0 H VAL A 50 5.258 1.178 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 50 7.566 2.714 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 50 7.791 3.839 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.769 5.294 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.375 4.972 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.940 4.110 -8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.102 3.714 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.293 2.391 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.949 2.171 -6.018 1.00 0.00 H new ATOM 883 N GLY A 51 7.505 -0.017 -8.049 1.00 0.00 N ATOM 884 CA GLY A 51 8.325 -1.198 -7.746 1.00 0.00 C ATOM 885 C GLY A 51 7.780 -1.990 -6.565 1.00 0.00 C ATOM 886 O GLY A 51 7.085 -2.990 -6.727 1.00 0.00 O ATOM 0 H GLY A 51 6.508 -0.227 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.369 -1.842 -8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.346 -0.883 -7.530 1.00 0.00 H new ATOM 890 N LEU A 52 8.145 -1.531 -5.368 1.00 0.00 N ATOM 891 CA LEU A 52 7.806 -2.132 -4.068 1.00 0.00 C ATOM 892 C LEU A 52 8.139 -1.175 -2.916 1.00 0.00 C ATOM 893 O LEU A 52 7.369 -0.991 -1.977 1.00 0.00 O ATOM 894 CB LEU A 52 8.618 -3.444 -3.929 1.00 0.00 C ATOM 895 CG LEU A 52 8.358 -4.196 -2.613 1.00 0.00 C ATOM 896 CD1 LEU A 52 8.364 -5.705 -2.865 1.00 0.00 C ATOM 897 CD2 LEU A 52 9.391 -3.914 -1.518 1.00 0.00 C ATOM 0 H LEU A 52 8.713 -0.689 -5.268 1.00 0.00 H new ATOM 0 HA LEU A 52 6.736 -2.336 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.377 -4.100 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.681 -3.212 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 52 7.389 -3.838 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.179 -6.231 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.583 -5.957 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.334 -6.003 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.137 -4.482 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.381 -4.210 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.392 -2.849 -1.284 1.00 0.00 H new ATOM 909 N ASN A 53 9.325 -0.581 -3.026 1.00 0.00 N ATOM 910 CA ASN A 53 10.003 0.196 -1.985 1.00 0.00 C ATOM 911 C ASN A 53 10.028 1.720 -2.224 1.00 0.00 C ATOM 912 O ASN A 53 10.391 2.475 -1.321 1.00 0.00 O ATOM 913 CB ASN A 53 11.409 -0.406 -1.788 1.00 0.00 C ATOM 914 CG ASN A 53 12.392 -0.059 -2.896 1.00 0.00 C ATOM 915 OD1 ASN A 53 12.973 1.014 -2.933 1.00 0.00 O ATOM 916 ND2 ASN A 53 12.606 -0.949 -3.841 1.00 0.00 N ATOM 0 H ASN A 53 9.869 -0.630 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 53 9.423 0.112 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.812 -0.058 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.322 -1.490 -1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.255 -0.741 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.123 -1.847 -3.815 1.00 0.00 H new ATOM 923 N ASN A 54 9.641 2.175 -3.424 1.00 0.00 N ATOM 924 CA ASN A 54 9.690 3.595 -3.808 1.00 0.00 C ATOM 925 C ASN A 54 8.400 4.364 -3.456 1.00 0.00 C ATOM 926 O ASN A 54 8.422 5.591 -3.332 1.00 0.00 O ATOM 927 CB ASN A 54 10.043 3.705 -5.300 1.00 0.00 C ATOM 928 CG ASN A 54 11.380 3.058 -5.618 1.00 0.00 C ATOM 929 OD1 ASN A 54 12.439 3.535 -5.232 1.00 0.00 O ATOM 930 ND2 ASN A 54 11.369 1.939 -6.305 1.00 0.00 N ATOM 0 H ASN A 54 9.283 1.566 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 54 10.471 4.077 -3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.261 3.231 -5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.071 4.756 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.246 1.463 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.484 1.545 -6.624 1.00 0.00 H new ATOM 937 N LEU A 55 7.287 3.646 -3.260 1.00 0.00 N ATOM 938 CA LEU A 55 6.057 4.164 -2.651 1.00 0.00 C ATOM 939 C LEU A 55 6.241 4.486 -1.159 1.00 0.00 C ATOM 940 O LEU A 55 7.176 3.993 -0.521 1.00 0.00 O ATOM 941 CB LEU A 55 4.924 3.149 -2.877 1.00 0.00 C ATOM 942 CG LEU A 55 5.133 1.774 -2.217 1.00 0.00 C ATOM 943 CD1 LEU A 55 4.300 1.619 -0.948 1.00 0.00 C ATOM 944 CD2 LEU A 55 4.719 0.663 -3.175 1.00 0.00 C ATOM 0 H LEU A 55 7.216 2.664 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 55 5.797 5.108 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.995 3.577 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.797 3.003 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 55 6.192 1.704 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.477 0.635 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.584 2.388 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.243 1.723 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.871 -0.305 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.666 0.779 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.323 0.720 -4.081 1.00 0.00 H new ATOM 956 N ASN A 56 5.329 5.277 -0.587 1.00 0.00 N ATOM 957 CA ASN A 56 5.308 5.582 0.842 1.00 0.00 C ATOM 958 C ASN A 56 3.988 5.146 1.506 1.00 0.00 C ATOM 959 O ASN A 56 3.034 4.710 0.860 1.00 0.00 O ATOM 960 CB ASN A 56 5.672 7.068 1.045 1.00 0.00 C ATOM 961 CG ASN A 56 4.592 8.051 0.622 1.00 0.00 C ATOM 962 OD1 ASN A 56 3.402 7.806 0.719 1.00 0.00 O ATOM 963 ND2 ASN A 56 4.964 9.222 0.177 1.00 0.00 N ATOM 0 H ASN A 56 4.578 5.727 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 56 6.065 4.994 1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.900 7.231 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.581 7.285 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.262 9.915 -0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.956 9.443 0.090 1.00 0.00 H new ATOM 970 N ALA A 57 3.955 5.287 2.826 1.00 0.00 N ATOM 971 CA ALA A 57 2.816 4.957 3.671 1.00 0.00 C ATOM 972 C ALA A 57 1.755 6.070 3.711 1.00 0.00 C ATOM 973 O ALA A 57 0.584 5.797 3.972 1.00 0.00 O ATOM 974 CB ALA A 57 3.399 4.695 5.053 1.00 0.00 C ATOM 0 H ALA A 57 4.749 5.647 3.355 1.00 0.00 H new ATOM 0 HA ALA A 57 2.286 4.090 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.596 4.440 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.107 3.868 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.912 5.589 5.407 1.00 0.00 H new ATOM 980 N THR A 58 2.153 7.315 3.434 1.00 0.00 N ATOM 981 CA THR A 58 1.287 8.501 3.432 1.00 0.00 C ATOM 982 C THR A 58 0.203 8.390 2.360 1.00 0.00 C ATOM 983 O THR A 58 -0.979 8.501 2.672 1.00 0.00 O ATOM 984 CB THR A 58 2.126 9.776 3.222 1.00 0.00 C ATOM 985 OG1 THR A 58 3.225 9.788 4.112 1.00 0.00 O ATOM 986 CG2 THR A 58 1.324 11.052 3.471 1.00 0.00 C ATOM 0 H THR A 58 3.120 7.534 3.197 1.00 0.00 H new ATOM 0 HA THR A 58 0.794 8.562 4.402 1.00 0.00 H new ATOM 0 HB THR A 58 2.453 9.758 2.182 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.753 10.601 3.969 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.963 11.920 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.479 11.090 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.958 11.057 4.498 1.00 0.00 H new ATOM 994 N GLU A 59 0.568 8.095 1.110 1.00 0.00 N ATOM 995 CA GLU A 59 -0.393 7.951 0.002 1.00 0.00 C ATOM 996 C GLU A 59 -1.350 6.767 0.214 1.00 0.00 C ATOM 997 O GLU A 59 -2.556 6.904 -0.007 1.00 0.00 O ATOM 998 CB GLU A 59 0.330 7.850 -1.354 1.00 0.00 C ATOM 999 CG GLU A 59 1.175 9.103 -1.651 1.00 0.00 C ATOM 1000 CD GLU A 59 1.435 9.347 -3.154 1.00 0.00 C ATOM 1001 OE1 GLU A 59 0.474 9.328 -3.963 1.00 0.00 O ATOM 1002 OE2 GLU A 59 2.595 9.650 -3.529 1.00 0.00 O ATOM 0 H GLU A 59 1.538 7.948 0.832 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.003 8.854 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.973 6.970 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.405 7.711 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.671 9.975 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.132 9.012 -1.138 1.00 0.00 H new ATOM 1009 N LEU A 60 -0.852 5.640 0.743 1.00 0.00 N ATOM 1010 CA LEU A 60 -1.694 4.535 1.219 1.00 0.00 C ATOM 1011 C LEU A 60 -2.672 4.988 2.315 1.00 0.00 C ATOM 1012 O LEU A 60 -3.871 4.781 2.179 1.00 0.00 O ATOM 1013 CB LEU A 60 -0.822 3.363 1.716 1.00 0.00 C ATOM 1014 CG LEU A 60 -0.617 2.255 0.670 1.00 0.00 C ATOM 1015 CD1 LEU A 60 0.209 2.715 -0.530 1.00 0.00 C ATOM 1016 CD2 LEU A 60 0.088 1.062 1.317 1.00 0.00 C ATOM 0 H LEU A 60 0.148 5.470 0.853 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.291 4.193 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.151 3.749 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.283 2.931 2.604 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.607 1.979 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.320 1.890 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.296 3.546 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.194 3.038 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.232 0.278 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.057 1.378 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.522 0.679 2.135 1.00 0.00 H new ATOM 1028 N SER A 61 -2.213 5.664 3.370 1.00 0.00 N ATOM 1029 CA SER A 61 -3.075 6.108 4.480 1.00 0.00 C ATOM 1030 C SER A 61 -4.201 7.059 4.049 1.00 0.00 C ATOM 1031 O SER A 61 -5.261 7.107 4.679 1.00 0.00 O ATOM 1032 CB SER A 61 -2.234 6.738 5.592 1.00 0.00 C ATOM 1033 OG SER A 61 -1.786 8.046 5.279 1.00 0.00 O ATOM 0 H SER A 61 -1.233 5.922 3.484 1.00 0.00 H new ATOM 0 HA SER A 61 -3.568 5.212 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.822 6.772 6.509 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.371 6.103 5.790 1.00 0.00 H new ATOM 0 HG SER A 61 -1.512 8.082 4.339 1.00 0.00 H new ATOM 1039 N LYS A 62 -3.987 7.759 2.930 1.00 0.00 N ATOM 1040 CA LYS A 62 -4.894 8.759 2.344 1.00 0.00 C ATOM 1041 C LYS A 62 -5.924 8.119 1.412 1.00 0.00 C ATOM 1042 O LYS A 62 -7.117 8.402 1.531 1.00 0.00 O ATOM 1043 CB LYS A 62 -4.070 9.824 1.598 1.00 0.00 C ATOM 1044 CG LYS A 62 -3.293 10.751 2.550 1.00 0.00 C ATOM 1045 CD LYS A 62 -2.199 11.554 1.827 1.00 0.00 C ATOM 1046 CE LYS A 62 -2.791 12.508 0.779 1.00 0.00 C ATOM 1047 NZ LYS A 62 -1.749 13.375 0.168 1.00 0.00 N ATOM 0 H LYS A 62 -3.136 7.640 2.380 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.450 9.231 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.368 9.329 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.736 10.424 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.989 11.440 3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.839 10.155 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.626 12.126 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.504 10.868 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.285 11.929 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.554 13.131 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.189 14.004 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.295 13.946 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.034 12.782 -0.299 1.00 0.00 H new ATOM 1061 N ARG A 63 -5.472 7.246 0.503 1.00 0.00 N ATOM 1062 CA ARG A 63 -6.308 6.622 -0.540 1.00 0.00 C ATOM 1063 C ARG A 63 -6.946 5.296 -0.098 1.00 0.00 C ATOM 1064 O ARG A 63 -8.050 4.979 -0.538 1.00 0.00 O ATOM 1065 CB ARG A 63 -5.459 6.499 -1.821 1.00 0.00 C ATOM 1066 CG ARG A 63 -6.316 6.292 -3.079 1.00 0.00 C ATOM 1067 CD ARG A 63 -5.446 6.246 -4.344 1.00 0.00 C ATOM 1068 NE ARG A 63 -6.273 6.027 -5.550 1.00 0.00 N ATOM 1069 CZ ARG A 63 -6.089 5.140 -6.515 1.00 0.00 C ATOM 1070 NH1 ARG A 63 -6.951 5.038 -7.484 1.00 0.00 N ATOM 1071 NH2 ARG A 63 -5.060 4.339 -6.546 1.00 0.00 N ATOM 0 H ARG A 63 -4.498 6.946 0.468 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.169 7.259 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.856 7.399 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.767 5.663 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.880 5.364 -2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.043 7.100 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.893 7.180 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.710 5.447 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.086 6.635 -5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.772 5.643 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.806 4.353 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.358 4.382 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.957 3.670 -7.309 1.00 0.00 H new ATOM 1085 N LEU A 64 -6.293 4.553 0.804 1.00 0.00 N ATOM 1086 CA LEU A 64 -6.760 3.273 1.366 1.00 0.00 C ATOM 1087 C LEU A 64 -7.521 3.447 2.698 1.00 0.00 C ATOM 1088 O LEU A 64 -8.218 2.526 3.126 1.00 0.00 O ATOM 1089 CB LEU A 64 -5.534 2.350 1.521 1.00 0.00 C ATOM 1090 CG LEU A 64 -5.792 0.839 1.540 1.00 0.00 C ATOM 1091 CD1 LEU A 64 -6.216 0.374 0.159 1.00 0.00 C ATOM 1092 CD2 LEU A 64 -4.499 0.087 1.864 1.00 0.00 C ATOM 0 H LEU A 64 -5.388 4.836 1.180 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.484 2.825 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.844 2.565 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.025 2.617 2.447 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.562 0.642 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.398 -0.700 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.129 0.892 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.426 0.596 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.695 -0.985 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.748 0.311 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.132 0.399 2.842 1.00 0.00 H new ATOM 1104 N ASN A 65 -7.416 4.626 3.329 1.00 0.00 N ATOM 1105 CA ASN A 65 -8.129 5.026 4.554 1.00 0.00 C ATOM 1106 C ASN A 65 -7.812 4.105 5.755 1.00 0.00 C ATOM 1107 O ASN A 65 -8.664 3.368 6.261 1.00 0.00 O ATOM 1108 CB ASN A 65 -9.625 5.233 4.233 1.00 0.00 C ATOM 1109 CG ASN A 65 -10.366 6.012 5.310 1.00 0.00 C ATOM 1110 OD1 ASN A 65 -10.685 7.184 5.157 1.00 0.00 O ATOM 1111 ND2 ASN A 65 -10.661 5.400 6.434 1.00 0.00 N ATOM 0 H ASN A 65 -6.802 5.363 2.983 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.761 5.992 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.717 5.761 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.101 4.261 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.153 5.901 7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.398 4.424 6.567 1.00 0.00 H new ATOM 1118 N ILE A 66 -6.555 4.163 6.198 1.00 0.00 N ATOM 1119 CA ILE A 66 -5.962 3.391 7.307 1.00 0.00 C ATOM 1120 C ILE A 66 -4.960 4.243 8.099 1.00 0.00 C ATOM 1121 O ILE A 66 -4.506 5.292 7.641 1.00 0.00 O ATOM 1122 CB ILE A 66 -5.231 2.116 6.803 1.00 0.00 C ATOM 1123 CG1 ILE A 66 -4.467 2.379 5.493 1.00 0.00 C ATOM 1124 CG2 ILE A 66 -6.197 0.935 6.689 1.00 0.00 C ATOM 1125 CD1 ILE A 66 -3.342 1.394 5.207 1.00 0.00 C ATOM 0 H ILE A 66 -5.874 4.789 5.768 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.791 3.095 7.950 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.482 1.844 7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.174 2.353 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.051 3.386 5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.658 0.057 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.631 0.724 7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.992 1.182 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.860 1.656 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.610 1.434 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.750 0.386 5.137 1.00 0.00 H new ATOM 1137 N THR A 67 -4.560 3.738 9.266 1.00 0.00 N ATOM 1138 CA THR A 67 -3.398 4.187 10.035 1.00 0.00 C ATOM 1139 C THR A 67 -2.131 4.167 9.170 1.00 0.00 C ATOM 1140 O THR A 67 -1.888 3.195 8.449 1.00 0.00 O ATOM 1141 CB THR A 67 -3.190 3.217 11.210 1.00 0.00 C ATOM 1142 OG1 THR A 67 -4.400 2.915 11.876 1.00 0.00 O ATOM 1143 CG2 THR A 67 -2.204 3.715 12.251 1.00 0.00 C ATOM 0 H THR A 67 -5.057 2.973 9.721 1.00 0.00 H new ATOM 0 HA THR A 67 -3.577 5.204 10.383 1.00 0.00 H new ATOM 0 HB THR A 67 -2.781 2.323 10.739 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.287 3.055 12.839 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.111 2.976 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.231 3.871 11.785 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.561 4.656 12.669 1.00 0.00 H new ATOM 1151 N VAL A 68 -1.267 5.179 9.296 1.00 0.00 N ATOM 1152 CA VAL A 68 0.034 5.224 8.594 1.00 0.00 C ATOM 1153 C VAL A 68 0.898 4.011 8.953 1.00 0.00 C ATOM 1154 O VAL A 68 1.530 3.407 8.095 1.00 0.00 O ATOM 1155 CB VAL A 68 0.802 6.524 8.919 1.00 0.00 C ATOM 1156 CG1 VAL A 68 2.038 6.676 8.022 1.00 0.00 C ATOM 1157 CG2 VAL A 68 -0.059 7.779 8.718 1.00 0.00 C ATOM 0 H VAL A 68 -1.443 5.993 9.885 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.177 5.201 7.525 1.00 0.00 H new ATOM 0 HB VAL A 68 1.088 6.439 9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.559 7.600 8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.706 5.829 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.728 6.707 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.528 8.665 8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.387 7.833 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.930 7.731 9.371 1.00 0.00 H new ATOM 1167 N ASP A 69 0.867 3.584 10.213 1.00 0.00 N ATOM 1168 CA ASP A 69 1.641 2.437 10.700 1.00 0.00 C ATOM 1169 C ASP A 69 1.094 1.085 10.219 1.00 0.00 C ATOM 1170 O ASP A 69 1.877 0.161 9.984 1.00 0.00 O ATOM 1171 CB ASP A 69 1.743 2.496 12.228 1.00 0.00 C ATOM 1172 CG ASP A 69 2.608 3.678 12.693 1.00 0.00 C ATOM 1173 OD1 ASP A 69 3.856 3.572 12.635 1.00 0.00 O ATOM 1174 OD2 ASP A 69 2.039 4.712 13.118 1.00 0.00 O ATOM 0 H ASP A 69 0.299 4.027 10.935 1.00 0.00 H new ATOM 0 HA ASP A 69 2.640 2.510 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.745 2.584 12.657 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.169 1.564 12.601 1.00 0.00 H new ATOM 1179 N LYS A 70 -0.221 0.984 9.963 1.00 0.00 N ATOM 1180 CA LYS A 70 -0.796 -0.174 9.263 1.00 0.00 C ATOM 1181 C LYS A 70 -0.318 -0.229 7.819 1.00 0.00 C ATOM 1182 O LYS A 70 0.002 -1.313 7.351 1.00 0.00 O ATOM 1183 CB LYS A 70 -2.332 -0.185 9.325 1.00 0.00 C ATOM 1184 CG LYS A 70 -2.865 -0.527 10.724 1.00 0.00 C ATOM 1185 CD LYS A 70 -4.401 -0.487 10.726 1.00 0.00 C ATOM 1186 CE LYS A 70 -5.013 -0.758 12.109 1.00 0.00 C ATOM 1187 NZ LYS A 70 -4.699 0.321 13.084 1.00 0.00 N ATOM 0 H LYS A 70 -0.905 1.691 10.231 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.444 -1.066 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.711 0.792 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.716 -0.910 8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.518 -1.517 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.474 0.181 11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.733 0.490 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.778 -1.225 10.018 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.094 -0.855 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.640 -1.709 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.471 0.398 13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.812 0.095 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.594 1.225 12.580 1.00 0.00 H new ATOM 1201 N ALA A 71 -0.171 0.913 7.146 1.00 0.00 N ATOM 1202 CA ALA A 71 0.386 0.963 5.790 1.00 0.00 C ATOM 1203 C ALA A 71 1.866 0.542 5.798 1.00 0.00 C ATOM 1204 O ALA A 71 2.261 -0.342 5.037 1.00 0.00 O ATOM 1205 CB ALA A 71 0.182 2.368 5.199 1.00 0.00 C ATOM 0 H ALA A 71 -0.432 1.825 7.521 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.140 0.253 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.597 2.403 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.883 2.596 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.688 3.103 5.825 1.00 0.00 H new ATOM 1211 N LYS A 72 2.662 1.096 6.725 1.00 0.00 N ATOM 1212 CA LYS A 72 4.108 0.807 6.862 1.00 0.00 C ATOM 1213 C LYS A 72 4.397 -0.684 7.073 1.00 0.00 C ATOM 1214 O LYS A 72 5.357 -1.200 6.499 1.00 0.00 O ATOM 1215 CB LYS A 72 4.709 1.628 8.022 1.00 0.00 C ATOM 1216 CG LYS A 72 4.842 3.127 7.720 1.00 0.00 C ATOM 1217 CD LYS A 72 5.129 4.000 8.953 1.00 0.00 C ATOM 1218 CE LYS A 72 6.408 3.644 9.723 1.00 0.00 C ATOM 1219 NZ LYS A 72 7.640 4.001 8.969 1.00 0.00 N ATOM 0 H LYS A 72 2.320 1.767 7.413 1.00 0.00 H new ATOM 0 HA LYS A 72 4.578 1.096 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.085 1.500 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.693 1.228 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.643 3.269 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.921 3.474 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.194 5.040 8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.282 3.927 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.408 4.163 10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.414 2.576 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.477 3.742 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.655 3.487 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.650 5.025 8.785 1.00 0.00 H new ATOM 1233 N THR A 73 3.568 -1.391 7.853 1.00 0.00 N ATOM 1234 CA THR A 73 3.746 -2.838 8.091 1.00 0.00 C ATOM 1235 C THR A 73 3.020 -3.723 7.069 1.00 0.00 C ATOM 1236 O THR A 73 3.531 -4.784 6.705 1.00 0.00 O ATOM 1237 CB THR A 73 3.411 -3.207 9.544 1.00 0.00 C ATOM 1238 OG1 THR A 73 4.011 -4.443 9.858 1.00 0.00 O ATOM 1239 CG2 THR A 73 1.917 -3.328 9.836 1.00 0.00 C ATOM 0 H THR A 73 2.764 -0.987 8.333 1.00 0.00 H new ATOM 0 HA THR A 73 4.804 -3.050 7.936 1.00 0.00 H new ATOM 0 HB THR A 73 3.794 -2.388 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.801 -4.682 10.785 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.771 -3.591 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.428 -2.376 9.629 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.484 -4.103 9.204 1.00 0.00 H new ATOM 1247 N TYR A 74 1.877 -3.296 6.523 1.00 0.00 N ATOM 1248 CA TYR A 74 1.162 -4.047 5.485 1.00 0.00 C ATOM 1249 C TYR A 74 1.984 -4.176 4.194 1.00 0.00 C ATOM 1250 O TYR A 74 2.008 -5.254 3.601 1.00 0.00 O ATOM 1251 CB TYR A 74 -0.201 -3.403 5.202 1.00 0.00 C ATOM 1252 CG TYR A 74 -0.885 -3.980 3.983 1.00 0.00 C ATOM 1253 CD1 TYR A 74 -1.039 -3.181 2.837 1.00 0.00 C ATOM 1254 CD2 TYR A 74 -1.264 -5.338 3.957 1.00 0.00 C ATOM 1255 CE1 TYR A 74 -1.552 -3.743 1.658 1.00 0.00 C ATOM 1256 CE2 TYR A 74 -1.744 -5.910 2.764 1.00 0.00 C ATOM 1257 CZ TYR A 74 -1.863 -5.119 1.601 1.00 0.00 C ATOM 1258 OH TYR A 74 -2.238 -5.696 0.427 1.00 0.00 O ATOM 0 H TYR A 74 1.422 -2.422 6.787 1.00 0.00 H new ATOM 0 HA TYR A 74 1.003 -5.057 5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.846 -3.535 6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.068 -2.330 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.763 -2.137 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.186 -5.938 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.710 -3.120 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.021 -6.954 2.738 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.413 -6.649 0.572 1.00 0.00 H new ATOM 1268 N ILE A 75 2.724 -3.126 3.807 1.00 0.00 N ATOM 1269 CA ILE A 75 3.647 -3.143 2.658 1.00 0.00 C ATOM 1270 C ILE A 75 4.575 -4.371 2.728 1.00 0.00 C ATOM 1271 O ILE A 75 4.557 -5.211 1.825 1.00 0.00 O ATOM 1272 CB ILE A 75 4.422 -1.800 2.596 1.00 0.00 C ATOM 1273 CG1 ILE A 75 3.501 -0.661 2.095 1.00 0.00 C ATOM 1274 CG2 ILE A 75 5.659 -1.883 1.686 1.00 0.00 C ATOM 1275 CD1 ILE A 75 4.049 0.745 2.393 1.00 0.00 C ATOM 0 H ILE A 75 2.699 -2.228 4.289 1.00 0.00 H new ATOM 0 HA ILE A 75 3.084 -3.238 1.729 1.00 0.00 H new ATOM 0 HB ILE A 75 4.758 -1.587 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.358 -0.766 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.520 -0.766 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.168 -0.919 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.338 -2.648 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.349 -2.141 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.354 1.494 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.166 0.869 3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.016 0.869 1.906 1.00 0.00 H new ATOM 1287 N LYS A 76 5.326 -4.539 3.827 1.00 0.00 N ATOM 1288 CA LYS A 76 6.233 -5.688 4.006 1.00 0.00 C ATOM 1289 C LYS A 76 5.502 -7.015 4.236 1.00 0.00 C ATOM 1290 O LYS A 76 5.942 -8.034 3.719 1.00 0.00 O ATOM 1291 CB LYS A 76 7.306 -5.385 5.071 1.00 0.00 C ATOM 1292 CG LYS A 76 6.762 -5.264 6.506 1.00 0.00 C ATOM 1293 CD LYS A 76 7.847 -4.940 7.543 1.00 0.00 C ATOM 1294 CE LYS A 76 8.294 -3.474 7.448 1.00 0.00 C ATOM 1295 NZ LYS A 76 9.371 -3.170 8.428 1.00 0.00 N ATOM 0 H LYS A 76 5.324 -3.889 4.613 1.00 0.00 H new ATOM 0 HA LYS A 76 6.754 -5.832 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.058 -6.174 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.810 -4.455 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.999 -4.486 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.274 -6.199 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.467 -5.142 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.705 -5.594 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.649 -3.265 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.441 -2.820 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.651 -2.172 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.023 -3.347 9.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.193 -3.778 8.240 1.00 0.00 H new ATOM 1309 N ASN A 77 4.370 -7.024 4.941 1.00 0.00 N ATOM 1310 CA ASN A 77 3.599 -8.256 5.184 1.00 0.00 C ATOM 1311 C ASN A 77 2.977 -8.840 3.899 1.00 0.00 C ATOM 1312 O ASN A 77 2.862 -10.061 3.775 1.00 0.00 O ATOM 1313 CB ASN A 77 2.533 -8.012 6.269 1.00 0.00 C ATOM 1314 CG ASN A 77 3.086 -8.186 7.673 1.00 0.00 C ATOM 1315 OD1 ASN A 77 3.030 -9.261 8.252 1.00 0.00 O ATOM 1316 ND2 ASN A 77 3.652 -7.159 8.258 1.00 0.00 N ATOM 0 H ASN A 77 3.960 -6.189 5.359 1.00 0.00 H new ATOM 0 HA ASN A 77 4.299 -9.010 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.133 -7.004 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.702 -8.702 6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.044 -7.258 9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.700 -6.261 7.777 1.00 0.00 H new ATOM 1420 N THR A 84 8.236 -13.709 -3.934 1.00 0.00 N ATOM 1421 CA THR A 84 9.140 -14.871 -3.817 1.00 0.00 C ATOM 1422 C THR A 84 8.596 -15.945 -2.868 1.00 0.00 C ATOM 1423 O THR A 84 9.062 -17.082 -2.841 1.00 0.00 O ATOM 1424 CB THR A 84 10.547 -14.364 -3.461 1.00 0.00 C ATOM 1425 OG1 THR A 84 10.981 -13.460 -4.455 1.00 0.00 O ATOM 1426 CG2 THR A 84 11.633 -15.434 -3.340 1.00 0.00 C ATOM 0 HA THR A 84 9.204 -15.387 -4.775 1.00 0.00 H new ATOM 0 HB THR A 84 10.429 -13.916 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.202 -13.062 -4.898 1.00 0.00 H new ATOM 0 HG21 THR A 84 12.582 -14.962 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 84 11.360 -16.143 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.732 -15.961 -4.289 1.00 0.00 H new ATOM 1434 N ASN A 85 7.533 -15.583 -2.151 1.00 0.00 N ATOM 1435 CA ASN A 85 6.629 -16.468 -1.405 1.00 0.00 C ATOM 1436 C ASN A 85 7.339 -17.273 -0.286 1.00 0.00 C ATOM 1437 O ASN A 85 6.911 -18.359 0.105 1.00 0.00 O ATOM 1438 CB ASN A 85 5.794 -17.306 -2.401 1.00 0.00 C ATOM 1439 CG ASN A 85 4.398 -17.645 -1.894 1.00 0.00 C ATOM 1440 OD1 ASN A 85 3.394 -17.167 -2.404 1.00 0.00 O ATOM 1441 ND2 ASN A 85 4.278 -18.470 -0.880 1.00 0.00 N ATOM 0 H ASN A 85 7.260 -14.604 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 85 5.924 -15.862 -0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.707 -16.759 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.327 -18.232 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.353 -18.708 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.110 -18.873 -0.449 1.00 0.00 H new ATOM 1448 N ASN A 86 8.459 -16.742 0.215 1.00 0.00 N ATOM 1449 CA ASN A 86 9.350 -17.393 1.184 1.00 0.00 C ATOM 1450 C ASN A 86 8.948 -17.140 2.657 1.00 0.00 C ATOM 1451 O ASN A 86 9.431 -17.806 3.570 1.00 0.00 O ATOM 1452 CB ASN A 86 10.802 -16.998 0.850 1.00 0.00 C ATOM 1453 CG ASN A 86 11.219 -15.664 1.441 1.00 0.00 C ATOM 1454 OD1 ASN A 86 11.809 -15.580 2.505 1.00 0.00 O ATOM 1455 ND2 ASN A 86 10.903 -14.577 0.780 1.00 0.00 N ATOM 0 H ASN A 86 8.783 -15.813 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 86 9.255 -18.475 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 86 11.474 -17.774 1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.919 -16.959 -0.233 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.151 -13.662 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.410 -14.647 -0.110 1.00 0.00 H new ATOM 1462 N PHE A 87 8.004 -16.223 2.882 1.00 0.00 N ATOM 1463 CA PHE A 87 7.494 -15.756 4.183 1.00 0.00 C ATOM 1464 C PHE A 87 6.528 -16.741 4.888 1.00 0.00 C ATOM 1465 O PHE A 87 5.814 -16.386 5.826 1.00 0.00 O ATOM 1466 CB PHE A 87 6.882 -14.366 3.942 1.00 0.00 C ATOM 1467 CG PHE A 87 5.649 -14.341 3.052 1.00 0.00 C ATOM 1468 CD1 PHE A 87 5.774 -14.043 1.679 1.00 0.00 C ATOM 1469 CD2 PHE A 87 4.379 -14.617 3.589 1.00 0.00 C ATOM 1470 CE1 PHE A 87 4.638 -14.056 0.848 1.00 0.00 C ATOM 1471 CE2 PHE A 87 3.247 -14.647 2.755 1.00 0.00 C ATOM 1472 CZ PHE A 87 3.376 -14.370 1.383 1.00 0.00 C ATOM 0 H PHE A 87 7.539 -15.750 2.107 1.00 0.00 H new ATOM 0 HA PHE A 87 8.317 -15.697 4.895 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.622 -13.930 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.643 -13.725 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.743 -13.805 1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.272 -14.807 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.736 -13.824 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.278 -14.883 3.169 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.508 -14.398 0.741 1.00 0.00 H new ATOM 1482 N LYS A 88 6.510 -17.997 4.430 1.00 0.00 N ATOM 1483 CA LYS A 88 5.577 -19.084 4.783 1.00 0.00 C ATOM 1484 C LYS A 88 5.945 -19.835 6.066 1.00 0.00 C ATOM 1485 O LYS A 88 5.184 -20.682 6.536 1.00 0.00 O ATOM 1486 CB LYS A 88 5.480 -20.032 3.572 1.00 0.00 C ATOM 1487 CG LYS A 88 6.834 -20.613 3.115 1.00 0.00 C ATOM 1488 CD LYS A 88 6.742 -21.277 1.733 1.00 0.00 C ATOM 1489 CE LYS A 88 8.138 -21.328 1.093 1.00 0.00 C ATOM 1490 NZ LYS A 88 8.090 -21.887 -0.283 1.00 0.00 N ATOM 0 H LYS A 88 7.201 -18.310 3.748 1.00 0.00 H new ATOM 0 HA LYS A 88 4.606 -18.642 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.810 -20.855 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.028 -19.494 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.578 -19.817 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.179 -21.344 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.337 -22.285 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.058 -20.718 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.562 -20.324 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.800 -21.936 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.050 -21.906 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.708 -22.854 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.478 -21.293 -0.878 1.00 0.00 H new ATOM 1504 N THR A 89 7.114 -19.511 6.613 1.00 0.00 N ATOM 1505 CA THR A 89 7.765 -20.180 7.741 1.00 0.00 C ATOM 1506 C THR A 89 8.472 -19.146 8.619 1.00 0.00 C ATOM 1507 O THR A 89 8.192 -19.048 9.814 1.00 0.00 O ATOM 1508 CB THR A 89 8.764 -21.212 7.189 1.00 0.00 C ATOM 1509 OG1 THR A 89 8.078 -22.252 6.523 1.00 0.00 O ATOM 1510 CG2 THR A 89 9.611 -21.847 8.279 1.00 0.00 C ATOM 0 H THR A 89 7.666 -18.729 6.261 1.00 0.00 H new ATOM 0 HA THR A 89 7.026 -20.692 8.357 1.00 0.00 H new ATOM 0 HB THR A 89 9.416 -20.666 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.725 -22.901 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.298 -22.567 7.833 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.180 -21.073 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.963 -22.357 8.992 1.00 0.00 H new ATOM 1518 N ILE A 90 9.350 -18.333 8.021 1.00 0.00 N ATOM 1519 CA ILE A 90 10.076 -17.260 8.709 1.00 0.00 C ATOM 1520 C ILE A 90 9.157 -16.081 9.062 1.00 0.00 C ATOM 1521 O ILE A 90 8.052 -15.972 8.528 1.00 0.00 O ATOM 1522 CB ILE A 90 11.303 -16.817 7.889 1.00 0.00 C ATOM 1523 CG1 ILE A 90 10.927 -16.164 6.542 1.00 0.00 C ATOM 1524 CG2 ILE A 90 12.278 -17.996 7.712 1.00 0.00 C ATOM 1525 CD1 ILE A 90 12.116 -15.443 5.902 1.00 0.00 C ATOM 0 H ILE A 90 9.580 -18.403 7.030 1.00 0.00 H new ATOM 0 HA ILE A 90 10.441 -17.657 9.656 1.00 0.00 H new ATOM 0 HB ILE A 90 11.808 -16.034 8.455 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.557 -16.929 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 90 10.114 -15.455 6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 90 13.141 -17.670 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.610 -18.344 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.774 -18.809 7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 90 11.806 -14.998 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 90 12.470 -14.660 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.920 -16.157 5.721 1.00 0.00 H new ATOM 1537 N LYS A 91 9.615 -15.191 9.955 1.00 0.00 N ATOM 1538 CA LYS A 91 8.884 -14.000 10.458 1.00 0.00 C ATOM 1539 C LYS A 91 7.609 -14.288 11.281 1.00 0.00 C ATOM 1540 O LYS A 91 7.025 -13.344 11.814 1.00 0.00 O ATOM 1541 CB LYS A 91 8.581 -13.004 9.307 1.00 0.00 C ATOM 1542 CG LYS A 91 9.749 -12.528 8.419 1.00 0.00 C ATOM 1543 CD LYS A 91 10.618 -11.419 9.043 1.00 0.00 C ATOM 1544 CE LYS A 91 11.672 -11.900 10.052 1.00 0.00 C ATOM 1545 NZ LYS A 91 12.850 -12.520 9.388 1.00 0.00 N ATOM 0 H LYS A 91 10.543 -15.278 10.369 1.00 0.00 H new ATOM 0 HA LYS A 91 9.573 -13.548 11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.837 -13.465 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.117 -12.121 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.385 -13.383 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.345 -12.166 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.125 -10.883 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.963 -10.704 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.002 -11.057 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.219 -12.623 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.533 -12.828 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.541 -13.341 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.301 -11.824 8.760 1.00 0.00 H new ATOM 1559 N MET A 92 7.181 -15.548 11.424 1.00 0.00 N ATOM 1560 CA MET A 92 5.942 -15.921 12.135 1.00 0.00 C ATOM 1561 C MET A 92 6.176 -16.370 13.587 1.00 0.00 C ATOM 1562 O MET A 92 5.502 -15.880 14.494 1.00 0.00 O ATOM 1563 CB MET A 92 5.177 -17.008 11.363 1.00 0.00 C ATOM 1564 CG MET A 92 4.785 -16.579 9.945 1.00 0.00 C ATOM 1565 SD MET A 92 3.481 -17.582 9.172 1.00 0.00 S ATOM 1566 CE MET A 92 4.201 -19.240 9.324 1.00 0.00 C ATOM 0 H MET A 92 7.687 -16.349 11.047 1.00 0.00 H new ATOM 0 HA MET A 92 5.341 -15.013 12.183 1.00 0.00 H new ATOM 0 HB2 MET A 92 5.792 -17.906 11.307 1.00 0.00 H new ATOM 0 HB3 MET A 92 4.277 -17.273 11.917 1.00 0.00 H new ATOM 0 HG2 MET A 92 4.455 -15.541 9.974 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.672 -16.614 9.313 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.581 -19.957 8.786 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.206 -19.240 8.902 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.250 -19.520 10.376 1.00 0.00 H new ATOM 1576 N PHE A 93 7.124 -17.290 13.812 1.00 0.00 N ATOM 1577 CA PHE A 93 7.403 -17.894 15.130 1.00 0.00 C ATOM 1578 C PHE A 93 8.713 -17.403 15.779 1.00 0.00 C ATOM 1579 O PHE A 93 9.006 -17.736 16.930 1.00 0.00 O ATOM 1580 CB PHE A 93 7.367 -19.428 14.999 1.00 0.00 C ATOM 1581 CG PHE A 93 8.556 -20.050 14.284 1.00 0.00 C ATOM 1582 CD1 PHE A 93 8.517 -20.262 12.892 1.00 0.00 C ATOM 1583 CD2 PHE A 93 9.696 -20.438 15.014 1.00 0.00 C ATOM 1584 CE1 PHE A 93 9.617 -20.845 12.237 1.00 0.00 C ATOM 1585 CE2 PHE A 93 10.795 -21.021 14.358 1.00 0.00 C ATOM 1586 CZ PHE A 93 10.757 -21.222 12.966 1.00 0.00 C ATOM 0 H PHE A 93 7.731 -17.644 13.073 1.00 0.00 H new ATOM 0 HA PHE A 93 6.621 -17.564 15.814 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.299 -19.859 15.998 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.458 -19.709 14.468 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.642 -19.977 12.327 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.727 -20.287 16.083 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.585 -21.003 11.169 1.00 0.00 H new ATOM 0 HE2 PHE A 93 11.668 -21.314 14.923 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.602 -21.665 12.459 1.00 0.00 H new ATOM 1596 N GLU A 94 9.515 -16.626 15.047 1.00 0.00 N ATOM 1597 CA GLU A 94 10.850 -16.170 15.453 1.00 0.00 C ATOM 1598 C GLU A 94 10.787 -14.819 16.190 1.00 0.00 C ATOM 1599 O GLU A 94 10.234 -13.848 15.668 1.00 0.00 O ATOM 1600 CB GLU A 94 11.750 -16.045 14.212 1.00 0.00 C ATOM 1601 CG GLU A 94 11.919 -17.347 13.414 1.00 0.00 C ATOM 1602 CD GLU A 94 12.674 -17.069 12.102 1.00 0.00 C ATOM 1603 OE1 GLU A 94 12.109 -16.369 11.224 1.00 0.00 O ATOM 1604 OE2 GLU A 94 13.828 -17.540 11.949 1.00 0.00 O ATOM 0 H GLU A 94 9.246 -16.285 14.124 1.00 0.00 H new ATOM 0 HA GLU A 94 11.265 -16.907 16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.336 -15.281 13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.734 -15.696 14.526 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.465 -18.079 14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.942 -17.779 13.196 1.00 0.00 H new