USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 583 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 89 SER OG : rot 180:sc=-0.00147 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.562 K(o=-0.56,f=0.43) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00282 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 121 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.049 18.055 8.527 1.00 0.00 N ATOM 575 CA ASN A 56 -2.108 17.373 7.623 1.00 0.00 C ATOM 576 C ASN A 56 -1.758 15.939 8.085 1.00 0.00 C ATOM 577 O ASN A 56 -1.280 15.135 7.283 1.00 0.00 O ATOM 578 CB ASN A 56 -0.850 18.238 7.416 1.00 0.00 C ATOM 579 CG ASN A 56 -1.099 19.488 6.589 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.668 19.452 5.506 1.00 0.00 O ATOM 581 ND2 ASN A 56 -0.651 20.631 7.055 1.00 0.00 N ATOM 0 HA ASN A 56 -2.607 17.253 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.456 18.529 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.083 17.637 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.777 21.487 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.177 20.663 7.957 1.00 0.00 H new ATOM 588 N SER A 57 -2.027 15.579 9.347 1.00 0.00 N ATOM 589 CA SER A 57 -1.839 14.215 9.868 1.00 0.00 C ATOM 590 C SER A 57 -2.744 13.211 9.135 1.00 0.00 C ATOM 591 O SER A 57 -2.335 12.083 8.852 1.00 0.00 O ATOM 592 CB SER A 57 -2.116 14.186 11.377 1.00 0.00 C ATOM 593 OG SER A 57 -3.473 14.503 11.638 1.00 0.00 O ATOM 0 H SER A 57 -2.385 16.232 10.044 1.00 0.00 H new ATOM 0 HA SER A 57 -0.804 13.921 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.883 13.199 11.777 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.466 14.897 11.886 1.00 0.00 H new ATOM 0 HG SER A 57 -3.635 14.479 12.604 1.00 0.00 H new ATOM 599 N HIS A 58 -3.957 13.636 8.744 1.00 0.00 N ATOM 600 CA HIS A 58 -4.893 12.837 7.945 1.00 0.00 C ATOM 601 C HIS A 58 -4.331 12.547 6.549 1.00 0.00 C ATOM 602 O HIS A 58 -4.448 11.419 6.071 1.00 0.00 O ATOM 603 CB HIS A 58 -6.257 13.546 7.865 1.00 0.00 C ATOM 604 CG HIS A 58 -7.233 12.849 6.945 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.838 13.411 5.834 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.615 11.539 7.024 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.575 12.448 5.241 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.455 11.303 5.948 1.00 0.00 N ATOM 0 H HIS A 58 -4.318 14.560 8.980 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.033 11.875 8.438 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.688 13.606 8.864 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.109 14.569 7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.319 10.826 7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.166 12.573 4.345 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.906 10.415 5.727 1.00 0.00 H new ATOM 617 N PHE A 59 -3.679 13.528 5.912 1.00 0.00 N ATOM 618 CA PHE A 59 -3.030 13.347 4.606 1.00 0.00 C ATOM 619 C PHE A 59 -2.012 12.202 4.640 1.00 0.00 C ATOM 620 O PHE A 59 -2.060 11.328 3.776 1.00 0.00 O ATOM 621 CB PHE A 59 -2.364 14.643 4.118 1.00 0.00 C ATOM 622 CG PHE A 59 -1.882 14.553 2.679 1.00 0.00 C ATOM 623 CD1 PHE A 59 -0.644 13.947 2.374 1.00 0.00 C ATOM 624 CD2 PHE A 59 -2.694 15.034 1.636 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.235 13.807 1.035 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.278 14.906 0.297 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.052 14.287 -0.004 1.00 0.00 C ATOM 0 H PHE A 59 -3.586 14.472 6.288 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.815 13.085 3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.073 15.466 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.519 14.878 4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.009 13.590 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.640 15.503 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.707 13.331 0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.901 15.284 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.738 14.180 -1.032 1.00 0.00 H new ATOM 637 N PHE A 60 -1.134 12.175 5.653 1.00 0.00 N ATOM 638 CA PHE A 60 -0.162 11.097 5.854 1.00 0.00 C ATOM 639 C PHE A 60 -0.843 9.728 5.914 1.00 0.00 C ATOM 640 O PHE A 60 -0.483 8.833 5.153 1.00 0.00 O ATOM 641 CB PHE A 60 0.644 11.326 7.139 1.00 0.00 C ATOM 642 CG PHE A 60 1.450 10.107 7.562 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.379 9.545 6.669 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.199 9.473 8.796 1.00 0.00 C ATOM 645 CE1 PHE A 60 3.028 8.345 6.997 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.870 8.282 9.132 1.00 0.00 C ATOM 647 CZ PHE A 60 2.777 7.712 8.223 1.00 0.00 C ATOM 0 H PHE A 60 -1.080 12.908 6.360 1.00 0.00 H new ATOM 0 HA PHE A 60 0.513 11.108 4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.320 12.168 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.037 11.601 7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.593 10.036 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.489 9.903 9.487 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.726 7.905 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.688 7.808 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.280 6.788 8.468 1.00 0.00 H new ATOM 657 N VAL A 61 -1.846 9.573 6.783 1.00 0.00 N ATOM 658 CA VAL A 61 -2.619 8.329 6.914 1.00 0.00 C ATOM 659 C VAL A 61 -3.207 7.914 5.560 1.00 0.00 C ATOM 660 O VAL A 61 -3.140 6.740 5.209 1.00 0.00 O ATOM 661 CB VAL A 61 -3.712 8.470 7.991 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.569 7.203 8.113 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.114 8.772 9.377 1.00 0.00 C ATOM 0 H VAL A 61 -2.148 10.310 7.420 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.945 7.536 7.239 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.335 9.303 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.326 7.348 8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.057 7.000 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.934 6.359 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.918 8.864 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.448 7.961 9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.553 9.705 9.336 1.00 0.00 H new ATOM 673 N ALA A 62 -3.713 8.862 4.764 1.00 0.00 N ATOM 674 CA ALA A 62 -4.262 8.605 3.428 1.00 0.00 C ATOM 675 C ALA A 62 -3.197 8.096 2.430 1.00 0.00 C ATOM 676 O ALA A 62 -3.363 7.034 1.824 1.00 0.00 O ATOM 677 CB ALA A 62 -4.973 9.866 2.909 1.00 0.00 C ATOM 0 H ALA A 62 -3.753 9.845 5.034 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.990 7.798 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.380 9.672 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.783 10.132 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.260 10.689 2.855 1.00 0.00 H new ATOM 683 N THR A 63 -2.097 8.838 2.255 1.00 0.00 N ATOM 684 CA THR A 63 -1.002 8.472 1.337 1.00 0.00 C ATOM 685 C THR A 63 -0.306 7.170 1.761 1.00 0.00 C ATOM 686 O THR A 63 -0.017 6.318 0.918 1.00 0.00 O ATOM 687 CB THR A 63 -0.026 9.650 1.126 1.00 0.00 C ATOM 688 OG1 THR A 63 0.873 9.381 0.072 1.00 0.00 O ATOM 689 CG2 THR A 63 0.791 10.067 2.334 1.00 0.00 C ATOM 0 H THR A 63 -1.937 9.716 2.748 1.00 0.00 H new ATOM 0 HA THR A 63 -1.441 8.263 0.361 1.00 0.00 H new ATOM 0 HB THR A 63 -0.692 10.482 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.479 10.142 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.438 10.902 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.122 10.372 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.401 9.228 2.668 1.00 0.00 H new ATOM 697 N PHE A 64 -0.106 6.957 3.069 1.00 0.00 N ATOM 698 CA PHE A 64 0.446 5.720 3.623 1.00 0.00 C ATOM 699 C PHE A 64 -0.513 4.543 3.388 1.00 0.00 C ATOM 700 O PHE A 64 -0.074 3.492 2.924 1.00 0.00 O ATOM 701 CB PHE A 64 0.777 5.915 5.115 1.00 0.00 C ATOM 702 CG PHE A 64 1.598 4.784 5.706 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.960 3.601 6.114 1.00 0.00 C ATOM 704 CD2 PHE A 64 3.000 4.882 5.796 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.725 2.505 6.551 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.759 3.781 6.230 1.00 0.00 C ATOM 707 CZ PHE A 64 3.123 2.588 6.599 1.00 0.00 C ATOM 0 H PHE A 64 -0.328 7.653 3.781 1.00 0.00 H new ATOM 0 HA PHE A 64 1.375 5.477 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.321 6.851 5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.153 6.010 5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.118 3.533 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.493 5.805 5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.231 1.593 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.835 3.855 6.279 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.707 1.738 6.919 1.00 0.00 H new ATOM 717 N ALA A 65 -1.821 4.715 3.640 1.00 0.00 N ATOM 718 CA ALA A 65 -2.860 3.710 3.389 1.00 0.00 C ATOM 719 C ALA A 65 -2.885 3.218 1.932 1.00 0.00 C ATOM 720 O ALA A 65 -2.872 2.008 1.693 1.00 0.00 O ATOM 721 CB ALA A 65 -4.235 4.242 3.802 1.00 0.00 C ATOM 0 H ALA A 65 -2.192 5.580 4.034 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.610 2.845 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.992 3.482 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.227 4.484 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.466 5.139 3.227 1.00 0.00 H new ATOM 727 N ARG A 66 -2.899 4.133 0.953 1.00 0.00 N ATOM 728 CA ARG A 66 -2.884 3.785 -0.479 1.00 0.00 C ATOM 729 C ARG A 66 -1.654 2.956 -0.861 1.00 0.00 C ATOM 730 O ARG A 66 -1.782 1.957 -1.567 1.00 0.00 O ATOM 731 CB ARG A 66 -3.030 5.064 -1.321 1.00 0.00 C ATOM 732 CG ARG A 66 -3.051 4.767 -2.830 1.00 0.00 C ATOM 733 CD ARG A 66 -3.545 5.981 -3.625 1.00 0.00 C ATOM 734 NE ARG A 66 -3.474 5.737 -5.080 1.00 0.00 N ATOM 735 CZ ARG A 66 -3.851 6.558 -6.045 1.00 0.00 C ATOM 736 NH1 ARG A 66 -4.378 7.725 -5.795 1.00 0.00 N ATOM 737 NH2 ARG A 66 -3.704 6.221 -7.294 1.00 0.00 N ATOM 0 H ARG A 66 -2.921 5.137 1.129 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.737 3.141 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.949 5.578 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.205 5.741 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.050 4.493 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.698 3.912 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.573 6.209 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.943 6.854 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.093 4.837 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.510 8.029 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.658 8.334 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.295 5.318 -7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.998 6.860 -8.033 1.00 0.00 H new ATOM 751 N GLU A 67 -0.475 3.332 -0.369 1.00 0.00 N ATOM 752 CA GLU A 67 0.767 2.594 -0.609 1.00 0.00 C ATOM 753 C GLU A 67 0.802 1.227 0.095 1.00 0.00 C ATOM 754 O GLU A 67 1.030 0.218 -0.577 1.00 0.00 O ATOM 755 CB GLU A 67 1.961 3.461 -0.197 1.00 0.00 C ATOM 756 CG GLU A 67 2.313 4.576 -1.196 1.00 0.00 C ATOM 757 CD GLU A 67 2.607 4.075 -2.625 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.020 2.905 -2.819 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.422 4.859 -3.586 1.00 0.00 O ATOM 0 H GLU A 67 -0.352 4.162 0.211 1.00 0.00 H new ATOM 0 HA GLU A 67 0.822 2.377 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.749 3.912 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.832 2.819 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.488 5.287 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.184 5.118 -0.827 1.00 0.00 H new ATOM 766 N ARG A 68 0.543 1.152 1.413 1.00 0.00 N ATOM 767 CA ARG A 68 0.538 -0.124 2.166 1.00 0.00 C ATOM 768 C ARG A 68 -0.442 -1.129 1.561 1.00 0.00 C ATOM 769 O ARG A 68 -0.101 -2.301 1.419 1.00 0.00 O ATOM 770 CB ARG A 68 0.302 0.078 3.684 1.00 0.00 C ATOM 771 CG ARG A 68 -1.137 0.467 4.041 1.00 0.00 C ATOM 772 CD ARG A 68 -1.405 0.700 5.531 1.00 0.00 C ATOM 773 NE ARG A 68 -1.503 -0.564 6.286 1.00 0.00 N ATOM 774 CZ ARG A 68 -2.563 -1.349 6.391 1.00 0.00 C ATOM 775 NH1 ARG A 68 -3.679 -1.096 5.769 1.00 0.00 N ATOM 776 NH2 ARG A 68 -2.520 -2.418 7.130 1.00 0.00 N ATOM 0 H ARG A 68 0.332 1.968 1.988 1.00 0.00 H new ATOM 0 HA ARG A 68 1.538 -0.547 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.560 -0.842 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.978 0.852 4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.395 1.375 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.806 -0.318 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.605 1.310 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.331 1.263 5.648 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.663 -0.865 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.757 -0.269 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.475 -1.725 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.665 -2.656 7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.341 -3.019 7.206 1.00 0.00 H new ATOM 790 N ALA A 69 -1.624 -0.662 1.151 1.00 0.00 N ATOM 791 CA ALA A 69 -2.643 -1.480 0.509 1.00 0.00 C ATOM 792 C ALA A 69 -2.118 -2.110 -0.786 1.00 0.00 C ATOM 793 O ALA A 69 -2.278 -3.313 -0.971 1.00 0.00 O ATOM 794 CB ALA A 69 -3.894 -0.629 0.265 1.00 0.00 C ATOM 0 H ALA A 69 -1.900 0.314 1.260 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.908 -2.307 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.660 -1.238 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.272 -0.256 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.641 0.213 -0.380 1.00 0.00 H new ATOM 800 N ALA A 70 -1.435 -1.347 -1.646 1.00 0.00 N ATOM 801 CA ALA A 70 -0.837 -1.870 -2.876 1.00 0.00 C ATOM 802 C ALA A 70 0.155 -3.025 -2.612 1.00 0.00 C ATOM 803 O ALA A 70 0.155 -4.012 -3.348 1.00 0.00 O ATOM 804 CB ALA A 70 -0.181 -0.718 -3.662 1.00 0.00 C ATOM 0 H ALA A 70 -1.282 -0.348 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.634 -2.302 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.264 -1.109 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.936 0.026 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.594 -0.256 -3.051 1.00 0.00 H new ATOM 810 N VAL A 71 0.966 -2.934 -1.549 1.00 0.00 N ATOM 811 CA VAL A 71 1.911 -3.989 -1.124 1.00 0.00 C ATOM 812 C VAL A 71 1.185 -5.226 -0.579 1.00 0.00 C ATOM 813 O VAL A 71 1.491 -6.361 -0.948 1.00 0.00 O ATOM 814 CB VAL A 71 2.881 -3.486 -0.038 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.037 -4.471 0.139 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.446 -2.088 -0.311 1.00 0.00 C ATOM 0 H VAL A 71 0.988 -2.112 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 71 2.470 -4.260 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 71 2.291 -3.416 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.714 -4.102 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.644 -5.443 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.578 -4.570 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.120 -1.804 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.993 -2.094 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.628 -1.370 -0.371 1.00 0.00 H new ATOM 826 N GLU A 72 0.222 -5.017 0.317 1.00 0.00 N ATOM 827 CA GLU A 72 -0.560 -6.078 0.960 1.00 0.00 C ATOM 828 C GLU A 72 -1.395 -6.857 -0.079 1.00 0.00 C ATOM 829 O GLU A 72 -1.409 -8.089 -0.083 1.00 0.00 O ATOM 830 CB GLU A 72 -1.405 -5.432 2.079 1.00 0.00 C ATOM 831 CG GLU A 72 -1.519 -6.275 3.356 1.00 0.00 C ATOM 832 CD GLU A 72 -2.717 -7.243 3.346 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.878 -6.772 3.430 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.502 -8.478 3.318 1.00 0.00 O ATOM 0 H GLU A 72 -0.045 -4.082 0.626 1.00 0.00 H new ATOM 0 HA GLU A 72 0.091 -6.826 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.970 -4.466 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.407 -5.239 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.601 -6.847 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.606 -5.610 4.215 1.00 0.00 H new ATOM 841 N GLU A 73 -2.021 -6.146 -1.023 1.00 0.00 N ATOM 842 CA GLU A 73 -2.770 -6.714 -2.151 1.00 0.00 C ATOM 843 C GLU A 73 -1.852 -7.447 -3.150 1.00 0.00 C ATOM 844 O GLU A 73 -2.269 -8.432 -3.764 1.00 0.00 O ATOM 845 CB GLU A 73 -3.544 -5.595 -2.878 1.00 0.00 C ATOM 846 CG GLU A 73 -4.831 -6.076 -3.562 1.00 0.00 C ATOM 847 CD GLU A 73 -5.942 -6.482 -2.567 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.200 -5.746 -1.582 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.606 -7.523 -2.797 1.00 0.00 O ATOM 0 H GLU A 73 -2.021 -5.126 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.466 -7.449 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.795 -4.814 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.893 -5.143 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.206 -5.284 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.597 -6.928 -4.201 1.00 0.00 H new ATOM 856 N LEU A 74 -0.594 -7.002 -3.299 1.00 0.00 N ATOM 857 CA LEU A 74 0.416 -7.664 -4.132 1.00 0.00 C ATOM 858 C LEU A 74 0.713 -9.071 -3.613 1.00 0.00 C ATOM 859 O LEU A 74 0.624 -10.030 -4.374 1.00 0.00 O ATOM 860 CB LEU A 74 1.709 -6.827 -4.195 1.00 0.00 C ATOM 861 CG LEU A 74 1.899 -6.087 -5.526 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.071 -5.122 -5.388 1.00 0.00 C ATOM 863 CD2 LEU A 74 2.185 -7.062 -6.676 1.00 0.00 C ATOM 0 H LEU A 74 -0.248 -6.161 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 74 0.014 -7.750 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.701 -6.100 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.564 -7.482 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 74 0.979 -5.551 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.217 -4.590 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.861 -4.406 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.975 -5.680 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.314 -6.503 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.095 -7.622 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.350 -7.754 -6.783 1.00 0.00 H new ATOM 875 N LEU A 75 1.031 -9.206 -2.322 1.00 0.00 N ATOM 876 CA LEU A 75 1.300 -10.498 -1.678 1.00 0.00 C ATOM 877 C LEU A 75 0.113 -11.470 -1.764 1.00 0.00 C ATOM 878 O LEU A 75 0.322 -12.671 -1.928 1.00 0.00 O ATOM 879 CB LEU A 75 1.734 -10.254 -0.224 1.00 0.00 C ATOM 880 CG LEU A 75 3.177 -9.730 -0.159 1.00 0.00 C ATOM 881 CD1 LEU A 75 3.448 -9.128 1.213 1.00 0.00 C ATOM 882 CD2 LEU A 75 4.194 -10.850 -0.424 1.00 0.00 C ATOM 0 H LEU A 75 1.110 -8.412 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 75 2.109 -10.986 -2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.061 -9.535 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.654 -11.181 0.343 1.00 0.00 H new ATOM 0 HG LEU A 75 3.288 -8.970 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.473 -8.758 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.758 -8.303 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.308 -9.891 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.204 -10.444 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.077 -11.633 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.023 -11.269 -1.416 1.00 0.00 H new ATOM 894 N GLU A 76 -1.127 -10.972 -1.714 1.00 0.00 N ATOM 895 CA GLU A 76 -2.335 -11.786 -1.894 1.00 0.00 C ATOM 896 C GLU A 76 -2.466 -12.388 -3.308 1.00 0.00 C ATOM 897 O GLU A 76 -3.145 -13.404 -3.479 1.00 0.00 O ATOM 898 CB GLU A 76 -3.585 -10.944 -1.593 1.00 0.00 C ATOM 899 CG GLU A 76 -4.025 -11.075 -0.130 1.00 0.00 C ATOM 900 CD GLU A 76 -5.440 -10.502 0.085 1.00 0.00 C ATOM 901 OE1 GLU A 76 -6.431 -11.176 -0.296 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.583 -9.398 0.663 1.00 0.00 O ATOM 0 H GLU A 76 -1.323 -9.985 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.247 -12.618 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.380 -9.897 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.399 -11.257 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.007 -12.124 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.317 -10.551 0.513 1.00 0.00 H new ATOM 909 N ARG A 77 -1.808 -11.793 -4.314 1.00 0.00 N ATOM 910 CA ARG A 77 -1.831 -12.214 -5.728 1.00 0.00 C ATOM 911 C ARG A 77 -0.456 -12.642 -6.280 1.00 0.00 C ATOM 912 O ARG A 77 -0.339 -12.950 -7.467 1.00 0.00 O ATOM 913 CB ARG A 77 -2.514 -11.111 -6.570 1.00 0.00 C ATOM 914 CG ARG A 77 -4.054 -11.162 -6.504 1.00 0.00 C ATOM 915 CD ARG A 77 -4.610 -12.351 -7.305 1.00 0.00 C ATOM 916 NE ARG A 77 -6.086 -12.409 -7.282 1.00 0.00 N ATOM 917 CZ ARG A 77 -6.841 -13.353 -7.820 1.00 0.00 C ATOM 918 NH1 ARG A 77 -6.330 -14.368 -8.461 1.00 0.00 N ATOM 919 NH2 ARG A 77 -8.139 -13.303 -7.724 1.00 0.00 N ATOM 0 H ARG A 77 -1.221 -10.973 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.421 -13.128 -5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.174 -10.135 -6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.198 -11.208 -7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.373 -11.240 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.468 -10.232 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.269 -12.280 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.207 -13.279 -6.899 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.570 -11.648 -6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.318 -14.452 -8.560 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.942 -15.078 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.584 -12.530 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.710 -14.037 -8.143 1.00 0.00 H new ATOM 933 N ALA A 78 0.581 -12.684 -5.442 1.00 0.00 N ATOM 934 CA ALA A 78 1.953 -13.057 -5.791 1.00 0.00 C ATOM 935 C ALA A 78 2.095 -14.563 -6.109 1.00 0.00 C ATOM 936 O ALA A 78 2.057 -15.409 -5.212 1.00 0.00 O ATOM 937 CB ALA A 78 2.893 -12.618 -4.658 1.00 0.00 C ATOM 0 H ALA A 78 0.483 -12.448 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 78 2.231 -12.540 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.918 -12.892 -4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.827 -11.538 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.602 -13.113 -3.731 1.00 0.00 H new ATOM 943 N GLU A 79 2.272 -14.896 -7.391 1.00 0.00 N ATOM 944 CA GLU A 79 2.488 -16.270 -7.897 1.00 0.00 C ATOM 945 C GLU A 79 3.926 -16.535 -8.387 1.00 0.00 C ATOM 946 O GLU A 79 4.320 -17.691 -8.557 1.00 0.00 O ATOM 947 CB GLU A 79 1.497 -16.542 -9.043 1.00 0.00 C ATOM 948 CG GLU A 79 0.061 -16.808 -8.562 1.00 0.00 C ATOM 949 CD GLU A 79 -0.159 -18.203 -7.926 1.00 0.00 C ATOM 950 OE1 GLU A 79 0.796 -19.005 -7.780 1.00 0.00 O ATOM 951 OE2 GLU A 79 -1.322 -18.515 -7.570 1.00 0.00 O ATOM 0 H GLU A 79 2.270 -14.199 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 79 2.322 -16.945 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.493 -15.687 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.844 -17.401 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.211 -16.044 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.618 -16.698 -9.408 1.00 0.00 H new ATOM 958 N SER A 80 4.726 -15.481 -8.580 1.00 0.00 N ATOM 959 CA SER A 80 6.123 -15.538 -9.031 1.00 0.00 C ATOM 960 C SER A 80 6.991 -14.570 -8.224 1.00 0.00 C ATOM 961 O SER A 80 6.505 -13.556 -7.716 1.00 0.00 O ATOM 962 CB SER A 80 6.224 -15.187 -10.527 1.00 0.00 C ATOM 963 OG SER A 80 5.421 -16.038 -11.335 1.00 0.00 O ATOM 0 H SER A 80 4.406 -14.526 -8.420 1.00 0.00 H new ATOM 0 HA SER A 80 6.483 -16.555 -8.876 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.918 -14.152 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.264 -15.261 -10.846 1.00 0.00 H new ATOM 0 HG SER A 80 5.514 -15.779 -12.276 1.00 0.00 H new ATOM 969 N VAL A 81 8.298 -14.844 -8.153 1.00 0.00 N ATOM 970 CA VAL A 81 9.291 -14.025 -7.427 1.00 0.00 C ATOM 971 C VAL A 81 9.301 -12.571 -7.927 1.00 0.00 C ATOM 972 O VAL A 81 9.502 -11.652 -7.141 1.00 0.00 O ATOM 973 CB VAL A 81 10.700 -14.651 -7.533 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.723 -13.911 -6.660 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.742 -16.136 -7.119 1.00 0.00 C ATOM 0 H VAL A 81 8.710 -15.659 -8.607 1.00 0.00 H new ATOM 0 HA VAL A 81 8.999 -14.009 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 81 10.954 -14.563 -8.589 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.700 -14.384 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.788 -12.870 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.409 -13.953 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.760 -16.512 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.417 -16.234 -6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.078 -16.712 -7.764 1.00 0.00 H new ATOM 985 N GLU A 82 8.998 -12.334 -9.208 1.00 0.00 N ATOM 986 CA GLU A 82 8.862 -11.002 -9.814 1.00 0.00 C ATOM 987 C GLU A 82 7.748 -10.140 -9.178 1.00 0.00 C ATOM 988 O GLU A 82 7.879 -8.918 -9.112 1.00 0.00 O ATOM 989 CB GLU A 82 8.645 -11.191 -11.325 1.00 0.00 C ATOM 990 CG GLU A 82 8.497 -9.867 -12.082 1.00 0.00 C ATOM 991 CD GLU A 82 8.722 -10.051 -13.595 1.00 0.00 C ATOM 992 OE1 GLU A 82 9.895 -10.034 -14.044 1.00 0.00 O ATOM 993 OE2 GLU A 82 7.732 -10.205 -14.350 1.00 0.00 O ATOM 0 H GLU A 82 8.835 -13.088 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 82 9.777 -10.441 -9.625 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.485 -11.748 -11.740 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.752 -11.796 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.502 -9.457 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.212 -9.143 -11.693 1.00 0.00 H new ATOM 1000 N ARG A 83 6.666 -10.747 -8.671 1.00 0.00 N ATOM 1001 CA ARG A 83 5.589 -10.039 -7.946 1.00 0.00 C ATOM 1002 C ARG A 83 5.956 -9.808 -6.473 1.00 0.00 C ATOM 1003 O ARG A 83 5.579 -8.792 -5.890 1.00 0.00 O ATOM 1004 CB ARG A 83 4.265 -10.818 -8.071 1.00 0.00 C ATOM 1005 CG ARG A 83 3.806 -11.046 -9.526 1.00 0.00 C ATOM 1006 CD ARG A 83 3.390 -9.767 -10.269 1.00 0.00 C ATOM 1007 NE ARG A 83 2.053 -9.295 -9.853 1.00 0.00 N ATOM 1008 CZ ARG A 83 1.309 -8.383 -10.456 1.00 0.00 C ATOM 1009 NH1 ARG A 83 1.742 -7.696 -11.475 1.00 0.00 N ATOM 1010 NH2 ARG A 83 0.095 -8.149 -10.049 1.00 0.00 N ATOM 0 H ARG A 83 6.508 -11.751 -8.751 1.00 0.00 H new ATOM 0 HA ARG A 83 5.462 -9.058 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.377 -11.785 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.485 -10.277 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.614 -11.525 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.966 -11.740 -9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.125 -8.984 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.390 -9.955 -11.343 1.00 0.00 H new ATOM 0 HE ARG A 83 1.662 -9.718 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.684 -7.854 -11.833 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.139 -7.001 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.288 -8.670 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.473 -7.444 -10.519 1.00 0.00 H new ATOM 1024 N LEU A 84 6.724 -10.730 -5.891 1.00 0.00 N ATOM 1025 CA LEU A 84 7.245 -10.675 -4.524 1.00 0.00 C ATOM 1026 C LEU A 84 8.308 -9.575 -4.349 1.00 0.00 C ATOM 1027 O LEU A 84 8.187 -8.722 -3.475 1.00 0.00 O ATOM 1028 CB LEU A 84 7.819 -12.061 -4.187 1.00 0.00 C ATOM 1029 CG LEU A 84 8.135 -12.226 -2.692 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.943 -12.804 -1.933 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.322 -13.161 -2.496 1.00 0.00 C ATOM 0 H LEU A 84 7.013 -11.575 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 84 6.437 -10.419 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.106 -12.828 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.728 -12.224 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 84 8.367 -11.235 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.199 -12.908 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.088 -12.135 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.690 -13.782 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.531 -13.266 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.089 -14.139 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.197 -12.749 -2.999 1.00 0.00 H new ATOM 1043 N GLU A 85 9.358 -9.583 -5.173 1.00 0.00 N ATOM 1044 CA GLU A 85 10.473 -8.627 -5.092 1.00 0.00 C ATOM 1045 C GLU A 85 10.023 -7.169 -5.283 1.00 0.00 C ATOM 1046 O GLU A 85 10.516 -6.255 -4.621 1.00 0.00 O ATOM 1047 CB GLU A 85 11.574 -9.041 -6.083 1.00 0.00 C ATOM 1048 CG GLU A 85 11.267 -8.868 -7.584 1.00 0.00 C ATOM 1049 CD GLU A 85 11.634 -7.481 -8.162 1.00 0.00 C ATOM 1050 OE1 GLU A 85 12.703 -6.921 -7.814 1.00 0.00 O ATOM 1051 OE2 GLU A 85 10.887 -6.963 -9.025 1.00 0.00 O ATOM 0 H GLU A 85 9.462 -10.262 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 85 10.883 -8.663 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.471 -8.466 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.813 -10.089 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.806 -9.634 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.204 -9.045 -7.746 1.00 0.00 H new ATOM 1058 N GLU A 86 9.028 -6.964 -6.145 1.00 0.00 N ATOM 1059 CA GLU A 86 8.393 -5.665 -6.389 1.00 0.00 C ATOM 1060 C GLU A 86 7.646 -5.140 -5.150 1.00 0.00 C ATOM 1061 O GLU A 86 7.790 -3.965 -4.813 1.00 0.00 O ATOM 1062 CB GLU A 86 7.496 -5.760 -7.637 1.00 0.00 C ATOM 1063 CG GLU A 86 7.388 -4.446 -8.434 1.00 0.00 C ATOM 1064 CD GLU A 86 6.224 -3.510 -8.054 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.494 -3.776 -7.075 1.00 0.00 O ATOM 1066 OE2 GLU A 86 6.026 -2.493 -8.763 1.00 0.00 O ATOM 0 H GLU A 86 8.629 -7.715 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 86 9.168 -4.924 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.885 -6.539 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.497 -6.070 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.322 -3.896 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.296 -4.694 -9.491 1.00 0.00 H new ATOM 1073 N ALA A 87 6.947 -6.003 -4.397 1.00 0.00 N ATOM 1074 CA ALA A 87 6.283 -5.641 -3.139 1.00 0.00 C ATOM 1075 C ALA A 87 7.261 -4.991 -2.131 1.00 0.00 C ATOM 1076 O ALA A 87 6.935 -3.966 -1.528 1.00 0.00 O ATOM 1077 CB ALA A 87 5.580 -6.882 -2.578 1.00 0.00 C ATOM 0 H ALA A 87 6.827 -6.984 -4.649 1.00 0.00 H new ATOM 0 HA ALA A 87 5.531 -4.876 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.082 -6.627 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.842 -7.238 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.315 -7.665 -2.395 1.00 0.00 H new ATOM 1083 N ALA A 88 8.481 -5.526 -1.976 1.00 0.00 N ATOM 1084 CA ALA A 88 9.495 -4.896 -1.117 1.00 0.00 C ATOM 1085 C ALA A 88 9.871 -3.500 -1.631 1.00 0.00 C ATOM 1086 O ALA A 88 10.068 -2.580 -0.847 1.00 0.00 O ATOM 1087 CB ALA A 88 10.763 -5.749 -1.028 1.00 0.00 C ATOM 0 H ALA A 88 8.788 -6.386 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 88 9.053 -4.809 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.491 -5.253 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.516 -6.725 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.186 -5.877 -2.024 1.00 0.00 H new ATOM 1093 N SER A 89 9.937 -3.314 -2.946 1.00 0.00 N ATOM 1094 CA SER A 89 10.268 -2.030 -3.569 1.00 0.00 C ATOM 1095 C SER A 89 9.153 -0.993 -3.366 1.00 0.00 C ATOM 1096 O SER A 89 9.406 0.211 -3.393 1.00 0.00 O ATOM 1097 CB SER A 89 10.570 -2.276 -5.056 1.00 0.00 C ATOM 1098 OG SER A 89 11.193 -1.169 -5.679 1.00 0.00 O ATOM 0 H SER A 89 9.760 -4.059 -3.620 1.00 0.00 H new ATOM 0 HA SER A 89 11.151 -1.607 -3.090 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.214 -3.151 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.641 -2.505 -5.578 1.00 0.00 H new ATOM 0 HG SER A 89 11.364 -1.378 -6.621 1.00 0.00 H new ATOM 1104 N ARG A 90 7.908 -1.429 -3.127 1.00 0.00 N ATOM 1105 CA ARG A 90 6.786 -0.530 -2.812 1.00 0.00 C ATOM 1106 C ARG A 90 6.917 -0.058 -1.360 1.00 0.00 C ATOM 1107 O ARG A 90 6.834 1.138 -1.081 1.00 0.00 O ATOM 1108 CB ARG A 90 5.435 -1.231 -3.027 1.00 0.00 C ATOM 1109 CG ARG A 90 5.135 -1.667 -4.466 1.00 0.00 C ATOM 1110 CD ARG A 90 5.255 -0.550 -5.508 1.00 0.00 C ATOM 1111 NE ARG A 90 4.394 0.608 -5.190 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.130 1.636 -5.973 1.00 0.00 C ATOM 1113 NH1 ARG A 90 4.603 1.732 -7.183 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.383 2.604 -5.541 1.00 0.00 N ATOM 0 H ARG A 90 7.649 -2.415 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 90 6.821 0.328 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.396 -2.111 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.642 -0.560 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.816 -2.474 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.125 -2.076 -4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.293 -0.223 -5.569 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.986 -0.941 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 90 3.958 0.613 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.201 0.995 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.375 2.544 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.000 2.570 -4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.178 3.399 -6.146 1.00 0.00 H new ATOM 1128 N LEU A 91 7.181 -0.991 -0.437 1.00 0.00 N ATOM 1129 CA LEU A 91 7.366 -0.706 0.991 1.00 0.00 C ATOM 1130 C LEU A 91 8.657 0.091 1.282 1.00 0.00 C ATOM 1131 O LEU A 91 8.670 0.926 2.182 1.00 0.00 O ATOM 1132 CB LEU A 91 7.206 -2.014 1.799 1.00 0.00 C ATOM 1133 CG LEU A 91 8.480 -2.794 2.178 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.152 -2.267 3.450 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.114 -4.255 2.441 1.00 0.00 C ATOM 0 H LEU A 91 7.274 -1.981 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 91 6.582 -0.028 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.676 -1.774 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.563 -2.683 1.227 1.00 0.00 H new ATOM 0 HG LEU A 91 9.172 -2.678 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.043 -2.858 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.434 -1.224 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.458 -2.343 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.011 -4.812 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.395 -4.309 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.674 -4.687 1.542 1.00 0.00 H new ATOM 1147 N GLN A 92 9.726 -0.091 0.496 1.00 0.00 N ATOM 1148 CA GLN A 92 11.007 0.622 0.658 1.00 0.00 C ATOM 1149 C GLN A 92 10.860 2.156 0.606 1.00 0.00 C ATOM 1150 O GLN A 92 11.635 2.894 1.214 1.00 0.00 O ATOM 1151 CB GLN A 92 12.017 0.113 -0.395 1.00 0.00 C ATOM 1152 CG GLN A 92 12.109 0.955 -1.672 1.00 0.00 C ATOM 1153 CD GLN A 92 12.912 0.324 -2.803 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.753 -0.550 -2.630 1.00 0.00 O ATOM 1155 NE2 GLN A 92 12.667 0.754 -4.020 1.00 0.00 N ATOM 0 H GLN A 92 9.729 -0.748 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 92 11.383 0.401 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.005 0.069 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.748 -0.907 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.099 1.155 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.555 1.918 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.968 1.481 -4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.175 0.360 -4.812 1.00 0.00 H new ATOM 1164 N GLY A 93 9.851 2.626 -0.128 1.00 0.00 N ATOM 1165 CA GLY A 93 9.453 4.034 -0.246 1.00 0.00 C ATOM 1166 C GLY A 93 8.520 4.530 0.867 1.00 0.00 C ATOM 1167 O GLY A 93 8.516 5.723 1.171 1.00 0.00 O ATOM 0 H GLY A 93 9.259 2.008 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.351 4.652 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.960 4.179 -1.207 1.00 0.00 H new ATOM 1171 N LEU A 94 7.762 3.642 1.524 1.00 0.00 N ATOM 1172 CA LEU A 94 6.917 3.994 2.673 1.00 0.00 C ATOM 1173 C LEU A 94 7.749 4.475 3.867 1.00 0.00 C ATOM 1174 O LEU A 94 7.426 5.499 4.455 1.00 0.00 O ATOM 1175 CB LEU A 94 6.022 2.812 3.084 1.00 0.00 C ATOM 1176 CG LEU A 94 4.694 2.714 2.327 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.957 1.469 2.817 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.827 3.949 2.581 1.00 0.00 C ATOM 0 H LEU A 94 7.718 2.655 1.272 1.00 0.00 H new ATOM 0 HA LEU A 94 6.279 4.820 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.577 1.886 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.811 2.889 4.151 1.00 0.00 H new ATOM 0 HG LEU A 94 4.893 2.653 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.007 1.378 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.565 0.586 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.772 1.553 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.890 3.855 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.616 4.033 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.356 4.841 2.245 1.00 0.00 H new ATOM 1190 N GLN A 95 8.841 3.791 4.222 1.00 0.00 N ATOM 1191 CA GLN A 95 9.714 4.238 5.325 1.00 0.00 C ATOM 1192 C GLN A 95 10.278 5.660 5.102 1.00 0.00 C ATOM 1193 O GLN A 95 10.455 6.423 6.056 1.00 0.00 O ATOM 1194 CB GLN A 95 10.794 3.174 5.591 1.00 0.00 C ATOM 1195 CG GLN A 95 11.936 3.183 4.560 1.00 0.00 C ATOM 1196 CD GLN A 95 12.700 1.862 4.438 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.517 0.902 5.178 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.602 1.761 3.484 1.00 0.00 N ATOM 0 H GLN A 95 9.145 2.930 3.768 1.00 0.00 H new ATOM 0 HA GLN A 95 9.115 4.332 6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.212 3.334 6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.328 2.189 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.524 3.440 3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.641 3.971 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.771 2.547 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.132 0.897 3.372 1.00 0.00 H new ATOM 1207 N LYS A 96 10.484 6.052 3.835 1.00 0.00 N ATOM 1208 CA LYS A 96 10.942 7.386 3.419 1.00 0.00 C ATOM 1209 C LYS A 96 9.867 8.475 3.568 1.00 0.00 C ATOM 1210 O LYS A 96 10.205 9.615 3.883 1.00 0.00 O ATOM 1211 CB LYS A 96 11.475 7.303 1.978 1.00 0.00 C ATOM 1212 CG LYS A 96 12.355 8.510 1.627 1.00 0.00 C ATOM 1213 CD LYS A 96 12.948 8.363 0.221 1.00 0.00 C ATOM 1214 CE LYS A 96 13.773 9.608 -0.127 1.00 0.00 C ATOM 1215 NZ LYS A 96 14.378 9.501 -1.479 1.00 0.00 N ATOM 0 H LYS A 96 10.331 5.426 3.044 1.00 0.00 H new ATOM 0 HA LYS A 96 11.744 7.691 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.050 6.385 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.637 7.249 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.765 9.424 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.159 8.604 2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.576 7.474 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.149 8.229 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.137 10.492 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.560 9.743 0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.929 10.360 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.004 8.671 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.625 9.397 -2.189 1.00 0.00 H new ATOM 1229 N LEU A 97 8.583 8.136 3.401 1.00 0.00 N ATOM 1230 CA LEU A 97 7.447 9.035 3.613 1.00 0.00 C ATOM 1231 C LEU A 97 7.454 9.564 5.056 1.00 0.00 C ATOM 1232 O LEU A 97 7.460 10.778 5.256 1.00 0.00 O ATOM 1233 CB LEU A 97 6.158 8.281 3.231 1.00 0.00 C ATOM 1234 CG LEU A 97 4.847 8.894 3.720 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.592 10.310 3.210 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.700 7.973 3.305 1.00 0.00 C ATOM 0 H LEU A 97 8.300 7.201 3.106 1.00 0.00 H new ATOM 0 HA LEU A 97 7.512 9.918 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.116 8.204 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.227 7.265 3.620 1.00 0.00 H new ATOM 0 HG LEU A 97 4.916 8.983 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.642 10.673 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.396 10.967 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.556 10.303 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.754 8.394 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.685 7.877 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.842 6.990 3.754 1.00 0.00 H new ATOM 1248 N ILE A 98 7.517 8.671 6.055 1.00 0.00 N ATOM 1249 CA ILE A 98 7.638 9.092 7.462 1.00 0.00 C ATOM 1250 C ILE A 98 8.959 9.836 7.690 1.00 0.00 C ATOM 1251 O ILE A 98 8.947 10.883 8.325 1.00 0.00 O ATOM 1252 CB ILE A 98 7.508 7.934 8.475 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.274 7.049 8.208 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.350 8.486 9.896 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.613 5.793 7.423 1.00 0.00 C ATOM 0 H ILE A 98 7.487 7.661 5.919 1.00 0.00 H new ATOM 0 HA ILE A 98 6.795 9.759 7.644 1.00 0.00 H new ATOM 0 HB ILE A 98 8.416 7.340 8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.821 6.767 9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.530 7.626 7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.259 7.659 10.600 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.223 9.086 10.152 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.455 9.106 9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.707 5.208 7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.040 6.070 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.336 5.198 7.982 1.00 0.00 H new ATOM 1267 N ASN A 99 10.089 9.347 7.164 1.00 0.00 N ATOM 1268 CA ASN A 99 11.401 9.993 7.339 1.00 0.00 C ATOM 1269 C ASN A 99 11.410 11.491 6.952 1.00 0.00 C ATOM 1270 O ASN A 99 12.159 12.268 7.542 1.00 0.00 O ATOM 1271 CB ASN A 99 12.456 9.203 6.549 1.00 0.00 C ATOM 1272 CG ASN A 99 13.863 9.734 6.772 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.513 9.440 7.765 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.385 10.521 5.856 1.00 0.00 N ATOM 0 H ASN A 99 10.122 8.494 6.606 1.00 0.00 H new ATOM 0 HA ASN A 99 11.640 9.974 8.402 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.416 8.154 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.218 9.246 5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.330 10.885 5.975 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.844 10.767 5.027 1.00 0.00 H new ATOM 1281 N ASP A 100 10.580 11.909 5.991 1.00 0.00 N ATOM 1282 CA ASP A 100 10.426 13.321 5.614 1.00 0.00 C ATOM 1283 C ASP A 100 9.691 14.141 6.701 1.00 0.00 C ATOM 1284 O ASP A 100 10.225 15.135 7.202 1.00 0.00 O ATOM 1285 CB ASP A 100 9.713 13.421 4.260 1.00 0.00 C ATOM 1286 CG ASP A 100 9.779 14.855 3.711 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.803 15.213 3.081 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.811 15.629 3.907 1.00 0.00 O ATOM 0 H ASP A 100 9.992 11.275 5.449 1.00 0.00 H new ATOM 0 HA ASP A 100 11.421 13.757 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.174 12.734 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.672 13.116 4.369 1.00 0.00 H new ATOM 1293 N SER A 101 8.482 13.720 7.092 1.00 0.00 N ATOM 1294 CA SER A 101 7.598 14.371 8.080 1.00 0.00 C ATOM 1295 C SER A 101 7.762 13.853 9.524 1.00 0.00 C ATOM 1296 O SER A 101 6.887 14.044 10.368 1.00 0.00 O ATOM 1297 CB SER A 101 6.137 14.281 7.608 1.00 0.00 C ATOM 1298 OG SER A 101 5.769 12.949 7.290 1.00 0.00 O ATOM 0 H SER A 101 8.067 12.870 6.710 1.00 0.00 H new ATOM 0 HA SER A 101 7.905 15.416 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.479 14.664 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.998 14.916 6.733 1.00 0.00 H new ATOM 0 HG SER A 101 4.834 12.929 6.996 1.00 0.00 H new ATOM 1304 N VAL A 102 8.886 13.218 9.860 1.00 0.00 N ATOM 1305 CA VAL A 102 9.138 12.574 11.165 1.00 0.00 C ATOM 1306 C VAL A 102 9.029 13.531 12.356 1.00 0.00 C ATOM 1307 O VAL A 102 8.439 13.187 13.379 1.00 0.00 O ATOM 1308 CB VAL A 102 10.500 11.850 11.156 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.671 12.781 10.824 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.794 11.173 12.497 1.00 0.00 C ATOM 0 H VAL A 102 9.674 13.131 9.218 1.00 0.00 H new ATOM 0 HA VAL A 102 8.343 11.841 11.304 1.00 0.00 H new ATOM 0 HB VAL A 102 10.413 11.100 10.370 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.601 12.213 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.521 13.216 9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.725 13.577 11.567 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.762 10.675 12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.811 11.923 13.287 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.018 10.438 12.711 1.00 0.00 H new ATOM 1320 N PHE A 103 9.547 14.751 12.216 1.00 0.00 N ATOM 1321 CA PHE A 103 9.461 15.808 13.231 1.00 0.00 C ATOM 1322 C PHE A 103 8.083 16.496 13.257 1.00 0.00 C ATOM 1323 O PHE A 103 7.817 17.323 14.131 1.00 0.00 O ATOM 1324 CB PHE A 103 10.572 16.837 12.970 1.00 0.00 C ATOM 1325 CG PHE A 103 11.941 16.230 12.711 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.539 15.385 13.668 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.592 16.464 11.485 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.778 14.778 13.398 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.833 15.859 11.216 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.426 15.015 12.171 1.00 0.00 C ATOM 0 H PHE A 103 10.049 15.041 11.377 1.00 0.00 H new ATOM 0 HA PHE A 103 9.592 15.348 14.211 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.291 17.448 12.112 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.641 17.505 13.828 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.044 15.204 14.611 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.137 17.110 10.749 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.233 14.130 14.132 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.331 16.043 10.275 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.378 14.549 11.964 1.00 0.00 H new ATOM 1340 N PHE A 104 7.211 16.157 12.302 1.00 0.00 N ATOM 1341 CA PHE A 104 5.845 16.687 12.186 1.00 0.00 C ATOM 1342 C PHE A 104 4.822 15.716 12.798 1.00 0.00 C ATOM 1343 O PHE A 104 3.978 16.125 13.600 1.00 0.00 O ATOM 1344 CB PHE A 104 5.533 17.018 10.714 1.00 0.00 C ATOM 1345 CG PHE A 104 4.056 17.053 10.385 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.309 18.226 10.597 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.417 15.885 9.930 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.920 18.217 10.380 1.00 0.00 C ATOM 1349 CE2 PHE A 104 2.034 15.877 9.702 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.290 17.037 9.949 1.00 0.00 C ATOM 0 H PHE A 104 7.441 15.488 11.567 1.00 0.00 H new ATOM 0 HA PHE A 104 5.772 17.613 12.756 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.971 17.986 10.470 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.018 16.279 10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.801 19.130 10.925 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.995 14.990 9.755 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.340 19.113 10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.547 14.984 9.339 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.219 17.025 9.807 1.00 0.00 H new ATOM 1360 N LEU A 105 4.903 14.432 12.437 1.00 0.00 N ATOM 1361 CA LEU A 105 4.049 13.368 12.955 1.00 0.00 C ATOM 1362 C LEU A 105 4.206 13.211 14.477 1.00 0.00 C ATOM 1363 O LEU A 105 5.324 13.154 14.998 1.00 0.00 O ATOM 1364 CB LEU A 105 4.402 12.065 12.220 1.00 0.00 C ATOM 1365 CG LEU A 105 4.039 12.051 10.724 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.489 10.727 10.124 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.545 12.230 10.464 1.00 0.00 C ATOM 0 H LEU A 105 5.585 14.098 11.756 1.00 0.00 H new ATOM 0 HA LEU A 105 3.004 13.620 12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.472 11.885 12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.891 11.237 12.712 1.00 0.00 H new ATOM 0 HG LEU A 105 4.547 12.897 10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.238 10.704 9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.567 10.621 10.244 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.985 9.906 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.358 12.211 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.993 11.422 10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.217 13.186 10.872 1.00 0.00 H new ATOM 1379 N ALA A 106 3.078 13.143 15.189 1.00 0.00 N ATOM 1380 CA ALA A 106 3.050 12.888 16.630 1.00 0.00 C ATOM 1381 C ALA A 106 3.669 11.517 16.957 1.00 0.00 C ATOM 1382 O ALA A 106 3.632 10.611 16.124 1.00 0.00 O ATOM 1383 CB ALA A 106 1.592 12.949 17.107 1.00 0.00 C ATOM 0 H ALA A 106 2.152 13.264 14.778 1.00 0.00 H new ATOM 0 HA ALA A 106 3.641 13.645 17.146 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.552 12.761 18.180 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.181 13.936 16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.006 12.193 16.584 1.00 0.00 H new ATOM 1389 N ALA A 107 4.149 11.320 18.190 1.00 0.00 N ATOM 1390 CA ALA A 107 4.697 10.034 18.644 1.00 0.00 C ATOM 1391 C ALA A 107 3.726 8.855 18.409 1.00 0.00 C ATOM 1392 O ALA A 107 4.155 7.756 18.062 1.00 0.00 O ATOM 1393 CB ALA A 107 5.093 10.170 20.120 1.00 0.00 C ATOM 0 H ALA A 107 4.169 12.048 18.904 1.00 0.00 H new ATOM 0 HA ALA A 107 5.579 9.796 18.049 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.502 9.224 20.475 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.844 10.953 20.225 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.214 10.430 20.710 1.00 0.00 H new ATOM 1399 N TYR A 108 2.417 9.101 18.536 1.00 0.00 N ATOM 1400 CA TYR A 108 1.347 8.143 18.253 1.00 0.00 C ATOM 1401 C TYR A 108 1.334 7.741 16.765 1.00 0.00 C ATOM 1402 O TYR A 108 1.460 6.568 16.419 1.00 0.00 O ATOM 1403 CB TYR A 108 0.007 8.766 18.684 1.00 0.00 C ATOM 1404 CG TYR A 108 -1.209 8.002 18.198 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -1.572 6.787 18.812 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.947 8.482 17.098 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.663 6.047 18.318 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -3.037 7.743 16.599 1.00 0.00 C ATOM 1409 CZ TYR A 108 -3.395 6.519 17.206 1.00 0.00 C ATOM 1410 OH TYR A 108 -4.439 5.789 16.725 1.00 0.00 O ATOM 0 H TYR A 108 2.063 10.005 18.850 1.00 0.00 H new ATOM 0 HA TYR A 108 1.517 7.226 18.818 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.023 8.823 19.772 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.045 9.788 18.309 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.013 6.423 19.662 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.676 9.420 16.636 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.941 5.116 18.790 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.598 8.112 15.753 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.837 6.253 15.959 1.00 0.00 H new ATOM 1420 N ASP A 109 1.198 8.730 15.877 1.00 0.00 N ATOM 1421 CA ASP A 109 1.066 8.562 14.424 1.00 0.00 C ATOM 1422 C ASP A 109 2.336 7.988 13.774 1.00 0.00 C ATOM 1423 O ASP A 109 2.280 7.143 12.877 1.00 0.00 O ATOM 1424 CB ASP A 109 0.745 9.930 13.805 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.482 9.895 12.878 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.620 8.943 12.077 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.313 10.831 12.962 1.00 0.00 O ATOM 0 H ASP A 109 1.176 9.710 16.161 1.00 0.00 H new ATOM 0 HA ASP A 109 0.265 7.846 14.239 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.571 10.652 14.603 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.610 10.280 13.241 1.00 0.00 H new ATOM 1432 N LEU A 110 3.498 8.423 14.266 1.00 0.00 N ATOM 1433 CA LEU A 110 4.811 7.942 13.855 1.00 0.00 C ATOM 1434 C LEU A 110 4.947 6.431 14.100 1.00 0.00 C ATOM 1435 O LEU A 110 5.301 5.671 13.194 1.00 0.00 O ATOM 1436 CB LEU A 110 5.882 8.741 14.623 1.00 0.00 C ATOM 1437 CG LEU A 110 7.241 8.629 13.924 1.00 0.00 C ATOM 1438 CD1 LEU A 110 7.314 9.691 12.836 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.423 8.845 14.863 1.00 0.00 C ATOM 0 H LEU A 110 3.548 9.144 14.986 1.00 0.00 H new ATOM 0 HA LEU A 110 4.945 8.096 12.784 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.586 9.788 14.688 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.960 8.367 15.644 1.00 0.00 H new ATOM 0 HG LEU A 110 7.312 7.616 13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.276 9.626 12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.511 9.530 12.116 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.207 10.679 13.284 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.354 8.752 14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.362 9.841 15.302 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.400 8.097 15.655 1.00 0.00 H new ATOM 1451 N ARG A 111 4.627 5.994 15.326 1.00 0.00 N ATOM 1452 CA ARG A 111 4.627 4.582 15.737 1.00 0.00 C ATOM 1453 C ARG A 111 3.601 3.748 14.971 1.00 0.00 C ATOM 1454 O ARG A 111 3.883 2.606 14.608 1.00 0.00 O ATOM 1455 CB ARG A 111 4.463 4.482 17.267 1.00 0.00 C ATOM 1456 CG ARG A 111 5.679 5.035 18.040 1.00 0.00 C ATOM 1457 CD ARG A 111 6.829 4.023 18.152 1.00 0.00 C ATOM 1458 NE ARG A 111 8.076 4.647 18.649 1.00 0.00 N ATOM 1459 CZ ARG A 111 8.386 5.011 19.883 1.00 0.00 C ATOM 1460 NH1 ARG A 111 7.562 4.875 20.883 1.00 0.00 N ATOM 1461 NH2 ARG A 111 9.554 5.528 20.139 1.00 0.00 N ATOM 0 H ARG A 111 4.354 6.627 16.078 1.00 0.00 H new ATOM 0 HA ARG A 111 5.592 4.148 15.475 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.569 5.028 17.568 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.307 3.439 17.543 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.041 5.934 17.542 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.363 5.330 19.041 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.536 3.216 18.823 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.013 3.575 17.176 1.00 0.00 H new ATOM 0 HE ARG A 111 8.794 4.820 17.945 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.636 4.474 20.730 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.842 5.169 21.819 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.232 5.653 19.387 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.790 5.808 21.091 1.00 0.00 H new ATOM 1475 N GLN A 112 2.459 4.349 14.654 1.00 0.00 N ATOM 1476 CA GLN A 112 1.400 3.744 13.831 1.00 0.00 C ATOM 1477 C GLN A 112 1.890 3.432 12.401 1.00 0.00 C ATOM 1478 O GLN A 112 1.670 2.322 11.912 1.00 0.00 O ATOM 1479 CB GLN A 112 0.152 4.649 13.817 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.822 4.368 14.974 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.741 3.183 14.674 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -2.629 3.246 13.832 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.582 2.055 15.336 1.00 0.00 N ATOM 0 H GLN A 112 2.232 5.293 14.966 1.00 0.00 H new ATOM 0 HA GLN A 112 1.127 2.790 14.282 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.468 5.691 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.372 4.517 12.871 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.256 4.167 15.884 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -1.425 5.256 15.164 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.850 1.977 16.042 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.191 1.260 15.142 1.00 0.00 H new ATOM 1492 N GLY A 113 2.595 4.364 11.741 1.00 0.00 N ATOM 1493 CA GLY A 113 3.169 4.159 10.406 1.00 0.00 C ATOM 1494 C GLY A 113 4.292 3.114 10.381 1.00 0.00 C ATOM 1495 O GLY A 113 4.285 2.205 9.548 1.00 0.00 O ATOM 0 H GLY A 113 2.783 5.290 12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.379 3.849 9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.557 5.108 10.036 1.00 0.00 H new ATOM 1499 N GLN A 114 5.253 3.207 11.305 1.00 0.00 N ATOM 1500 CA GLN A 114 6.357 2.239 11.393 1.00 0.00 C ATOM 1501 C GLN A 114 5.895 0.799 11.692 1.00 0.00 C ATOM 1502 O GLN A 114 6.416 -0.137 11.082 1.00 0.00 O ATOM 1503 CB GLN A 114 7.402 2.703 12.419 1.00 0.00 C ATOM 1504 CG GLN A 114 8.430 3.661 11.796 1.00 0.00 C ATOM 1505 CD GLN A 114 9.593 3.958 12.746 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.222 3.072 13.310 1.00 0.00 O ATOM 1507 NE2 GLN A 114 9.952 5.209 12.946 1.00 0.00 N ATOM 0 H GLN A 114 5.291 3.946 12.007 1.00 0.00 H new ATOM 0 HA GLN A 114 6.813 2.207 10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.900 3.199 13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 114 7.917 1.835 12.831 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.818 3.226 10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.937 4.595 11.525 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.444 5.965 12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.739 5.422 13.560 1.00 0.00 H new ATOM 1516 N GLU A 115 4.908 0.585 12.575 1.00 0.00 N ATOM 1517 CA GLU A 115 4.372 -0.767 12.828 1.00 0.00 C ATOM 1518 C GLU A 115 3.761 -1.425 11.586 1.00 0.00 C ATOM 1519 O GLU A 115 3.931 -2.623 11.348 1.00 0.00 O ATOM 1520 CB GLU A 115 3.360 -0.781 13.982 1.00 0.00 C ATOM 1521 CG GLU A 115 4.026 -1.028 15.343 1.00 0.00 C ATOM 1522 CD GLU A 115 2.990 -1.438 16.407 1.00 0.00 C ATOM 1523 OE1 GLU A 115 2.512 -2.601 16.377 1.00 0.00 O ATOM 1524 OE2 GLU A 115 2.655 -0.617 17.296 1.00 0.00 O ATOM 0 H GLU A 115 4.466 1.322 13.124 1.00 0.00 H new ATOM 0 HA GLU A 115 5.239 -1.362 13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.830 0.171 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.616 -1.556 13.799 1.00 0.00 H new ATOM 0 HG2 GLU A 115 4.779 -1.810 15.245 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.544 -0.125 15.666 1.00 0.00 H new ATOM 1531 N ALA A 116 3.080 -0.626 10.772 1.00 0.00 N ATOM 1532 CA ALA A 116 2.447 -1.065 9.534 1.00 0.00 C ATOM 1533 C ALA A 116 3.468 -1.492 8.464 1.00 0.00 C ATOM 1534 O ALA A 116 3.271 -2.510 7.809 1.00 0.00 O ATOM 1535 CB ALA A 116 1.545 0.060 9.042 1.00 0.00 C ATOM 0 H ALA A 116 2.950 0.368 10.959 1.00 0.00 H new ATOM 0 HA ALA A 116 1.855 -1.958 9.732 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.058 -0.243 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.788 0.275 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.143 0.954 8.863 1.00 0.00 H new ATOM 1541 N LEU A 117 4.579 -0.765 8.308 1.00 0.00 N ATOM 1542 CA LEU A 117 5.687 -1.115 7.401 1.00 0.00 C ATOM 1543 C LEU A 117 6.247 -2.515 7.694 1.00 0.00 C ATOM 1544 O LEU A 117 6.387 -3.348 6.794 1.00 0.00 O ATOM 1545 CB LEU A 117 6.793 -0.059 7.570 1.00 0.00 C ATOM 1546 CG LEU A 117 6.814 0.986 6.446 1.00 0.00 C ATOM 1547 CD1 LEU A 117 7.268 2.323 7.012 1.00 0.00 C ATOM 1548 CD2 LEU A 117 7.758 0.534 5.337 1.00 0.00 C ATOM 0 H LEU A 117 4.741 0.103 8.818 1.00 0.00 H new ATOM 0 HA LEU A 117 5.316 -1.129 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.658 0.448 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.760 -0.560 7.609 1.00 0.00 H new ATOM 0 HG LEU A 117 5.813 1.095 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.284 3.068 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.577 2.641 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.268 2.219 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.769 1.280 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.764 0.419 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.417 -0.420 4.935 1.00 0.00 H new ATOM 1560 N ALA A 118 6.530 -2.781 8.971 1.00 0.00 N ATOM 1561 CA ALA A 118 7.001 -4.082 9.460 1.00 0.00 C ATOM 1562 C ALA A 118 5.993 -5.212 9.192 1.00 0.00 C ATOM 1563 O ALA A 118 6.386 -6.351 8.922 1.00 0.00 O ATOM 1564 CB ALA A 118 7.286 -3.980 10.964 1.00 0.00 C ATOM 0 H ALA A 118 6.437 -2.085 9.711 1.00 0.00 H new ATOM 0 HA ALA A 118 7.911 -4.333 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.636 -4.944 11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.051 -3.224 11.139 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.373 -3.700 11.489 1.00 0.00 H new ATOM 1570 N ARG A 119 4.694 -4.898 9.229 1.00 0.00 N ATOM 1571 CA ARG A 119 3.611 -5.843 8.941 1.00 0.00 C ATOM 1572 C ARG A 119 3.749 -6.443 7.534 1.00 0.00 C ATOM 1573 O ARG A 119 3.599 -7.651 7.355 1.00 0.00 O ATOM 1574 CB ARG A 119 2.255 -5.125 9.129 1.00 0.00 C ATOM 1575 CG ARG A 119 1.080 -6.022 9.545 1.00 0.00 C ATOM 1576 CD ARG A 119 0.979 -6.220 11.067 1.00 0.00 C ATOM 1577 NE ARG A 119 2.080 -7.033 11.622 1.00 0.00 N ATOM 1578 CZ ARG A 119 2.214 -8.346 11.575 1.00 0.00 C ATOM 1579 NH1 ARG A 119 1.337 -9.112 10.990 1.00 0.00 N ATOM 1580 NH2 ARG A 119 3.247 -8.923 12.117 1.00 0.00 N ATOM 0 H ARG A 119 4.360 -3.963 9.464 1.00 0.00 H new ATOM 0 HA ARG A 119 3.668 -6.680 9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.378 -4.346 9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.995 -4.627 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.151 -5.585 9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.186 -6.995 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.975 -5.245 11.554 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.028 -6.698 11.302 1.00 0.00 H new ATOM 0 HE ARG A 119 2.823 -6.521 12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.514 -8.701 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.473 -10.123 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.960 -8.361 12.582 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.344 -9.938 12.077 1.00 0.00 H new ATOM 1594 N LEU A 120 4.084 -5.603 6.547 1.00 0.00 N ATOM 1595 CA LEU A 120 4.276 -5.996 5.141 1.00 0.00 C ATOM 1596 C LEU A 120 5.627 -6.716 4.935 1.00 0.00 C ATOM 1597 O LEU A 120 5.700 -7.706 4.206 1.00 0.00 O ATOM 1598 CB LEU A 120 4.130 -4.768 4.213 1.00 0.00 C ATOM 1599 CG LEU A 120 3.013 -3.770 4.586 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.895 -2.640 3.567 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.631 -4.413 4.748 1.00 0.00 C ATOM 0 H LEU A 120 4.233 -4.606 6.705 1.00 0.00 H new ATOM 0 HA LEU A 120 3.496 -6.710 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.079 -4.232 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.949 -5.123 3.198 1.00 0.00 H new ATOM 0 HG LEU A 120 3.321 -3.377 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.097 -1.961 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.837 -2.094 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.666 -3.057 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.902 -3.647 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.338 -4.887 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.669 -5.163 5.538 1.00 0.00 H new ATOM 1613 N GLN A 121 6.683 -6.264 5.623 1.00 0.00 N ATOM 1614 CA GLN A 121 8.020 -6.886 5.634 1.00 0.00 C ATOM 1615 C GLN A 121 7.973 -8.360 6.075 1.00 0.00 C ATOM 1616 O GLN A 121 8.589 -9.224 5.449 1.00 0.00 O ATOM 1617 CB GLN A 121 8.942 -6.098 6.583 1.00 0.00 C ATOM 1618 CG GLN A 121 9.500 -4.803 5.982 1.00 0.00 C ATOM 1619 CD GLN A 121 10.776 -5.031 5.168 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.865 -5.898 4.310 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.819 -4.262 5.400 1.00 0.00 N ATOM 0 H GLN A 121 6.632 -5.429 6.207 1.00 0.00 H new ATOM 0 HA GLN A 121 8.405 -6.859 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.389 -5.856 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.774 -6.737 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.743 -4.348 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.707 -4.095 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.767 -3.533 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.679 -4.396 4.869 1.00 0.00 H new ATOM 1630 N ALA A 122 7.226 -8.671 7.138 1.00 0.00 N ATOM 1631 CA ALA A 122 7.040 -10.045 7.607 1.00 0.00 C ATOM 1632 C ALA A 122 6.233 -10.911 6.622 1.00 0.00 C ATOM 1633 O ALA A 122 6.597 -12.064 6.382 1.00 0.00 O ATOM 1634 CB ALA A 122 6.373 -9.993 8.986 1.00 0.00 C ATOM 0 H ALA A 122 6.733 -7.975 7.698 1.00 0.00 H new ATOM 0 HA ALA A 122 8.016 -10.526 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.224 -11.007 9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.011 -9.444 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.409 -9.491 8.905 1.00 0.00 H new ATOM 1640 N ALA A 123 5.179 -10.362 6.005 1.00 0.00 N ATOM 1641 CA ALA A 123 4.387 -11.064 4.995 1.00 0.00 C ATOM 1642 C ALA A 123 5.248 -11.482 3.783 1.00 0.00 C ATOM 1643 O ALA A 123 5.012 -12.542 3.200 1.00 0.00 O ATOM 1644 CB ALA A 123 3.182 -10.191 4.628 1.00 0.00 C ATOM 0 H ALA A 123 4.853 -9.414 6.195 1.00 0.00 H new ATOM 0 HA ALA A 123 4.010 -12.004 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.580 -10.700 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.577 -10.013 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.531 -9.238 4.230 1.00 0.00 H new ATOM 1650 N LEU A 124 6.276 -10.694 3.435 1.00 0.00 N ATOM 1651 CA LEU A 124 7.230 -11.029 2.377 1.00 0.00 C ATOM 1652 C LEU A 124 8.058 -12.253 2.735 1.00 0.00 C ATOM 1653 O LEU A 124 8.066 -13.211 1.966 1.00 0.00 O ATOM 1654 CB LEU A 124 8.177 -9.857 2.082 1.00 0.00 C ATOM 1655 CG LEU A 124 7.556 -8.844 1.127 1.00 0.00 C ATOM 1656 CD1 LEU A 124 8.414 -7.593 1.137 1.00 0.00 C ATOM 1657 CD2 LEU A 124 7.499 -9.400 -0.297 1.00 0.00 C ATOM 0 H LEU A 124 6.467 -9.799 3.886 1.00 0.00 H new ATOM 0 HA LEU A 124 6.639 -11.246 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.440 -9.360 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.103 -10.239 1.652 1.00 0.00 H new ATOM 0 HG LEU A 124 6.539 -8.623 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.987 -6.854 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 124 8.448 -7.183 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 124 9.424 -7.842 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.052 -8.659 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.508 -9.630 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.896 -10.308 -0.309 1.00 0.00 H new ATOM 1669 N ALA A 125 8.747 -12.233 3.880 1.00 0.00 N ATOM 1670 CA ALA A 125 9.628 -13.327 4.287 1.00 0.00 C ATOM 1671 C ALA A 125 8.888 -14.686 4.336 1.00 0.00 C ATOM 1672 O ALA A 125 9.464 -15.722 3.998 1.00 0.00 O ATOM 1673 CB ALA A 125 10.258 -12.961 5.637 1.00 0.00 C ATOM 0 H ALA A 125 8.709 -11.462 4.546 1.00 0.00 H new ATOM 0 HA ALA A 125 10.414 -13.455 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.920 -13.765 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.830 -12.039 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.472 -12.819 6.379 1.00 0.00 H new ATOM 1679 N GLU A 126 7.598 -14.678 4.690 1.00 0.00 N ATOM 1680 CA GLU A 126 6.713 -15.851 4.689 1.00 0.00 C ATOM 1681 C GLU A 126 6.532 -16.441 3.278 1.00 0.00 C ATOM 1682 O GLU A 126 6.812 -17.624 3.067 1.00 0.00 O ATOM 1683 CB GLU A 126 5.346 -15.475 5.290 1.00 0.00 C ATOM 1684 CG GLU A 126 5.381 -15.234 6.805 1.00 0.00 C ATOM 1685 CD GLU A 126 5.480 -16.554 7.593 1.00 0.00 C ATOM 1686 OE1 GLU A 126 4.423 -17.138 7.937 1.00 0.00 O ATOM 1687 OE2 GLU A 126 6.611 -17.019 7.875 1.00 0.00 O ATOM 0 H GLU A 126 7.125 -13.828 4.995 1.00 0.00 H new ATOM 0 HA GLU A 126 7.183 -16.620 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.978 -14.575 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.633 -16.271 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.231 -14.599 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.483 -14.696 7.108 1.00 0.00 H new ATOM 1694 N ARG A 127 6.088 -15.639 2.295 1.00 0.00 N ATOM 1695 CA ARG A 127 5.905 -16.089 0.895 1.00 0.00 C ATOM 1696 C ARG A 127 7.242 -16.391 0.207 1.00 0.00 C ATOM 1697 O ARG A 127 7.338 -17.338 -0.576 1.00 0.00 O ATOM 1698 CB ARG A 127 5.089 -15.059 0.083 1.00 0.00 C ATOM 1699 CG ARG A 127 3.564 -15.183 0.243 1.00 0.00 C ATOM 1700 CD ARG A 127 3.083 -14.775 1.636 1.00 0.00 C ATOM 1701 NE ARG A 127 1.618 -14.858 1.772 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.931 -14.606 2.871 1.00 0.00 C ATOM 1703 NH1 ARG A 127 1.514 -14.202 3.966 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.361 -14.757 2.896 1.00 0.00 N ATOM 0 H ARG A 127 5.845 -14.660 2.444 1.00 0.00 H new ATOM 0 HA ARG A 127 5.342 -17.022 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.393 -14.056 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.341 -15.166 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.072 -14.560 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.264 -16.212 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.551 -15.418 2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.407 -13.756 1.845 1.00 0.00 H new ATOM 0 HE ARG A 127 1.089 -15.134 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.526 -14.073 3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.958 -14.015 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.854 -15.073 2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.881 -14.559 3.751 1.00 0.00 H new ATOM 1718 N ARG A 128 8.299 -15.647 0.547 1.00 0.00 N ATOM 1719 CA ARG A 128 9.680 -15.852 0.076 1.00 0.00 C ATOM 1720 C ARG A 128 10.212 -17.248 0.398 1.00 0.00 C ATOM 1721 O ARG A 128 10.934 -17.806 -0.424 1.00 0.00 O ATOM 1722 CB ARG A 128 10.593 -14.768 0.679 1.00 0.00 C ATOM 1723 CG ARG A 128 11.954 -14.707 -0.025 1.00 0.00 C ATOM 1724 CD ARG A 128 12.656 -13.360 0.168 1.00 0.00 C ATOM 1725 NE ARG A 128 12.878 -13.020 1.587 1.00 0.00 N ATOM 1726 CZ ARG A 128 13.271 -11.850 2.059 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.556 -10.849 1.274 1.00 0.00 N ATOM 1728 NH2 ARG A 128 13.386 -11.658 3.340 1.00 0.00 N ATOM 0 H ARG A 128 8.217 -14.853 1.183 1.00 0.00 H new ATOM 0 HA ARG A 128 9.676 -15.769 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.102 -13.798 0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.742 -14.969 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 128 12.593 -15.504 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.817 -14.892 -1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.615 -13.380 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.059 -12.576 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 128 12.712 -13.760 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.478 -10.956 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.857 -9.959 1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.172 -12.414 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.690 -10.751 3.695 1.00 0.00 H new