USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 452 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 53 LYS NZ :NH3+ -132:sc= -1.88 (180deg=-4.79!) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 76 LYS NZ :NH3+ -135:sc= 0.292 (180deg=-0.436) USER MOD Set 2.2: A 78 TYR OH : rot 30:sc= 0.358 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -132:sc= -0.187 (180deg=-2.56!) USER MOD Single : A 64 ASN : amide:sc= 0.113 K(o=0.11,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.0838 (180deg=-0.513) USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= -0.0731 (180deg=-0.527) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -173:sc= -2.39! (180deg=-2.59!) USER MOD Single : A 84 SER OG : rot -73:sc= 1.09 USER MOD Single : A 85 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.12) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 100 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.6) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.0092) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.607 12.460 1.755 1.00 0.00 N ATOM 664 CA LEU A 47 14.138 13.813 1.886 1.00 0.00 C ATOM 665 C LEU A 47 14.596 14.351 0.534 1.00 0.00 C ATOM 666 O LEU A 47 14.227 15.456 0.139 1.00 0.00 O ATOM 667 CB LEU A 47 15.303 13.832 2.877 1.00 0.00 C ATOM 668 CG LEU A 47 14.934 14.066 4.342 1.00 0.00 C ATOM 669 CD1 LEU A 47 15.991 13.471 5.260 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.762 15.552 4.618 1.00 0.00 C ATOM 0 HA LEU A 47 13.341 14.455 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.832 12.882 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.002 14.610 2.570 1.00 0.00 H new ATOM 0 HG LEU A 47 13.986 13.567 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.712 13.647 6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.066 12.398 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.954 13.941 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.500 15.700 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.695 16.073 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.968 15.950 3.986 1.00 0.00 H new ATOM 682 N GLU A 48 15.400 13.561 -0.170 1.00 0.00 N ATOM 683 CA GLU A 48 15.907 13.958 -1.478 1.00 0.00 C ATOM 684 C GLU A 48 14.790 14.537 -2.342 1.00 0.00 C ATOM 685 O GLU A 48 14.885 15.665 -2.827 1.00 0.00 O ATOM 686 CB GLU A 48 16.547 12.763 -2.187 1.00 0.00 C ATOM 687 CG GLU A 48 17.282 13.134 -3.464 1.00 0.00 C ATOM 688 CD GLU A 48 17.528 11.939 -4.364 1.00 0.00 C ATOM 689 OE1 GLU A 48 16.806 10.930 -4.220 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.443 12.011 -5.210 1.00 0.00 O ATOM 0 H GLU A 48 15.714 12.643 0.143 1.00 0.00 H new ATOM 0 HA GLU A 48 16.663 14.729 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.245 12.277 -1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.772 12.034 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.703 13.881 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.236 13.594 -3.209 1.00 0.00 H new ATOM 697 N LYS A 49 13.731 13.757 -2.530 1.00 0.00 N ATOM 698 CA LYS A 49 12.594 14.189 -3.333 1.00 0.00 C ATOM 699 C LYS A 49 12.032 15.509 -2.815 1.00 0.00 C ATOM 700 O LYS A 49 11.708 16.405 -3.593 1.00 0.00 O ATOM 701 CB LYS A 49 11.501 13.119 -3.325 1.00 0.00 C ATOM 702 CG LYS A 49 10.408 13.357 -4.353 1.00 0.00 C ATOM 703 CD LYS A 49 9.535 12.127 -4.535 1.00 0.00 C ATOM 704 CE LYS A 49 8.756 12.185 -5.840 1.00 0.00 C ATOM 705 NZ LYS A 49 7.739 11.100 -5.927 1.00 0.00 N ATOM 0 H LYS A 49 13.637 12.821 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 49 12.940 14.338 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.956 12.146 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.052 13.078 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.791 14.199 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.858 13.629 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.157 11.232 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.841 12.045 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.263 13.153 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.447 12.104 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.229 11.174 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.212 10.176 -5.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.065 11.192 -5.141 1.00 0.00 H new ATOM 719 N ALA A 50 11.919 15.621 -1.495 1.00 0.00 N ATOM 720 CA ALA A 50 11.400 16.833 -0.873 1.00 0.00 C ATOM 721 C ALA A 50 12.197 18.058 -1.307 1.00 0.00 C ATOM 722 O ALA A 50 11.627 19.061 -1.736 1.00 0.00 O ATOM 723 CB ALA A 50 11.419 16.698 0.643 1.00 0.00 C ATOM 0 H ALA A 50 12.180 14.887 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 50 10.370 16.968 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.029 17.610 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.799 15.852 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.442 16.535 0.981 1.00 0.00 H new ATOM 729 N ALA A 51 13.518 17.970 -1.192 1.00 0.00 N ATOM 730 CA ALA A 51 14.393 19.071 -1.574 1.00 0.00 C ATOM 731 C ALA A 51 14.131 19.508 -3.011 1.00 0.00 C ATOM 732 O ALA A 51 13.682 20.627 -3.258 1.00 0.00 O ATOM 733 CB ALA A 51 15.851 18.672 -1.399 1.00 0.00 C ATOM 0 H ALA A 51 14.006 17.147 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 51 14.178 19.916 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.493 19.504 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.036 18.417 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.070 17.809 -2.028 1.00 0.00 H new ATOM 739 N VAL A 52 14.414 18.618 -3.957 1.00 0.00 N ATOM 740 CA VAL A 52 14.208 18.911 -5.370 1.00 0.00 C ATOM 741 C VAL A 52 12.894 19.651 -5.591 1.00 0.00 C ATOM 742 O VAL A 52 12.833 20.616 -6.353 1.00 0.00 O ATOM 743 CB VAL A 52 14.210 17.624 -6.216 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.002 17.952 -7.687 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.505 16.854 -6.011 1.00 0.00 C ATOM 0 H VAL A 52 14.787 17.687 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 52 15.036 19.545 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 52 13.384 16.993 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.006 17.031 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.045 18.458 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.805 18.603 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.489 15.948 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.349 17.475 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.606 16.586 -4.959 1.00 0.00 H new ATOM 755 N LYS A 53 11.843 19.193 -4.920 1.00 0.00 N ATOM 756 CA LYS A 53 10.528 19.811 -5.041 1.00 0.00 C ATOM 757 C LYS A 53 10.537 21.224 -4.466 1.00 0.00 C ATOM 758 O LYS A 53 10.039 22.162 -5.090 1.00 0.00 O ATOM 759 CB LYS A 53 9.475 18.964 -4.324 1.00 0.00 C ATOM 760 CG LYS A 53 8.830 17.915 -5.214 1.00 0.00 C ATOM 761 CD LYS A 53 7.593 18.458 -5.909 1.00 0.00 C ATOM 762 CE LYS A 53 7.956 19.472 -6.983 1.00 0.00 C ATOM 763 NZ LYS A 53 8.029 20.855 -6.438 1.00 0.00 N ATOM 0 H LYS A 53 11.876 18.395 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 53 10.278 19.870 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.938 18.469 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.699 19.621 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.549 17.578 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.560 17.045 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.036 17.635 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.937 18.924 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.916 19.205 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.216 19.435 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.495 21.500 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.621 20.873 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.023 21.160 -6.396 1.00 0.00 H new ATOM 777 N LYS A 54 11.106 21.370 -3.275 1.00 0.00 N ATOM 778 CA LYS A 54 11.182 22.668 -2.616 1.00 0.00 C ATOM 779 C LYS A 54 11.757 23.722 -3.556 1.00 0.00 C ATOM 780 O LYS A 54 11.180 24.796 -3.727 1.00 0.00 O ATOM 781 CB LYS A 54 12.041 22.573 -1.353 1.00 0.00 C ATOM 782 CG LYS A 54 11.614 23.529 -0.253 1.00 0.00 C ATOM 783 CD LYS A 54 10.595 22.891 0.677 1.00 0.00 C ATOM 784 CE LYS A 54 10.410 23.709 1.945 1.00 0.00 C ATOM 785 NZ LYS A 54 9.496 24.865 1.731 1.00 0.00 N ATOM 0 H LYS A 54 11.522 20.604 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 54 10.171 22.966 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.000 21.553 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.080 22.774 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.488 23.838 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.189 24.429 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.639 22.796 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.919 21.883 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.010 23.071 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.379 24.071 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.396 25.397 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.889 25.487 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.563 24.519 1.428 1.00 0.00 H new ATOM 799 N MET A 55 12.896 23.408 -4.164 1.00 0.00 N ATOM 800 CA MET A 55 13.548 24.328 -5.090 1.00 0.00 C ATOM 801 C MET A 55 12.591 24.749 -6.201 1.00 0.00 C ATOM 802 O MET A 55 12.448 25.936 -6.493 1.00 0.00 O ATOM 803 CB MET A 55 14.795 23.680 -5.693 1.00 0.00 C ATOM 804 CG MET A 55 15.692 23.013 -4.663 1.00 0.00 C ATOM 805 SD MET A 55 17.235 22.407 -5.374 1.00 0.00 S ATOM 806 CE MET A 55 18.335 23.774 -5.011 1.00 0.00 C ATOM 0 H MET A 55 13.387 22.524 -4.033 1.00 0.00 H new ATOM 0 HA MET A 55 13.843 25.217 -4.533 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.488 22.938 -6.430 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.368 24.440 -6.224 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.917 23.724 -3.868 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.157 22.182 -4.205 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.332 23.549 -5.390 1.00 0.00 H new ATOM 0 HE2 MET A 55 17.961 24.679 -5.489 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.382 23.926 -3.933 1.00 0.00 H new ATOM 816 N ALA A 56 11.939 23.768 -6.817 1.00 0.00 N ATOM 817 CA ALA A 56 10.995 24.038 -7.895 1.00 0.00 C ATOM 818 C ALA A 56 9.928 25.034 -7.454 1.00 0.00 C ATOM 819 O ALA A 56 9.757 26.089 -8.066 1.00 0.00 O ATOM 820 CB ALA A 56 10.349 22.744 -8.367 1.00 0.00 C ATOM 0 H ALA A 56 12.047 22.780 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 56 11.546 24.480 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.647 22.960 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.120 22.064 -8.731 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.817 22.279 -7.537 1.00 0.00 H new ATOM 826 N LYS A 57 9.212 24.693 -6.388 1.00 0.00 N ATOM 827 CA LYS A 57 8.161 25.557 -5.863 1.00 0.00 C ATOM 828 C LYS A 57 8.628 27.007 -5.803 1.00 0.00 C ATOM 829 O LYS A 57 7.993 27.898 -6.366 1.00 0.00 O ATOM 830 CB LYS A 57 7.736 25.088 -4.470 1.00 0.00 C ATOM 831 CG LYS A 57 7.052 23.732 -4.466 1.00 0.00 C ATOM 832 CD LYS A 57 6.861 23.208 -3.053 1.00 0.00 C ATOM 833 CE LYS A 57 5.542 23.676 -2.458 1.00 0.00 C ATOM 834 NZ LYS A 57 5.218 22.959 -1.193 1.00 0.00 N ATOM 0 H LYS A 57 9.340 23.824 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 57 7.306 25.498 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.615 25.044 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.061 25.827 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.083 23.811 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.646 23.022 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.891 22.118 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.685 23.545 -2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.590 24.748 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.741 23.518 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.312 23.307 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.147 21.939 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.969 23.131 -0.495 1.00 0.00 H new ATOM 848 N ALA A 58 9.744 27.237 -5.118 1.00 0.00 N ATOM 849 CA ALA A 58 10.298 28.579 -4.987 1.00 0.00 C ATOM 850 C ALA A 58 10.452 29.244 -6.351 1.00 0.00 C ATOM 851 O ALA A 58 10.116 30.416 -6.522 1.00 0.00 O ATOM 852 CB ALA A 58 11.637 28.529 -4.267 1.00 0.00 C ATOM 0 H ALA A 58 10.282 26.511 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 58 9.603 29.177 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.039 29.538 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.500 28.102 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.333 27.911 -4.835 1.00 0.00 H new ATOM 858 N ILE A 59 10.963 28.489 -7.318 1.00 0.00 N ATOM 859 CA ILE A 59 11.162 29.006 -8.666 1.00 0.00 C ATOM 860 C ILE A 59 9.841 29.454 -9.283 1.00 0.00 C ATOM 861 O ILE A 59 9.719 30.580 -9.764 1.00 0.00 O ATOM 862 CB ILE A 59 11.812 27.953 -9.583 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.180 27.542 -9.033 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.944 28.493 -10.999 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.688 26.233 -9.595 1.00 0.00 C ATOM 0 H ILE A 59 11.247 27.517 -7.193 1.00 0.00 H new ATOM 0 HA ILE A 59 11.830 29.863 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 59 11.172 27.071 -9.610 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.902 28.328 -9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.117 27.462 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.405 27.737 -11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.956 28.741 -11.387 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.566 29.388 -10.990 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.662 26.004 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.986 25.436 -9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.783 26.314 -10.678 1.00 0.00 H new ATOM 877 N MET A 60 8.853 28.565 -9.263 1.00 0.00 N ATOM 878 CA MET A 60 7.539 28.870 -9.818 1.00 0.00 C ATOM 879 C MET A 60 7.188 30.339 -9.605 1.00 0.00 C ATOM 880 O MET A 60 6.724 31.015 -10.523 1.00 0.00 O ATOM 881 CB MET A 60 6.472 27.981 -9.177 1.00 0.00 C ATOM 882 CG MET A 60 6.630 26.506 -9.511 1.00 0.00 C ATOM 883 SD MET A 60 5.894 26.070 -11.098 1.00 0.00 S ATOM 884 CE MET A 60 4.413 25.219 -10.562 1.00 0.00 C ATOM 0 H MET A 60 8.937 27.628 -8.869 1.00 0.00 H new ATOM 0 HA MET A 60 7.570 28.673 -10.890 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.508 28.106 -8.095 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.487 28.316 -9.504 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.690 26.252 -9.525 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.169 25.908 -8.725 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.317 24.278 -11.104 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.476 25.017 -9.493 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.542 25.843 -10.762 1.00 0.00 H new ATOM 894 N ALA A 61 7.411 30.827 -8.389 1.00 0.00 N ATOM 895 CA ALA A 61 7.119 32.216 -8.058 1.00 0.00 C ATOM 896 C ALA A 61 8.338 33.103 -8.288 1.00 0.00 C ATOM 897 O ALA A 61 8.208 34.268 -8.662 1.00 0.00 O ATOM 898 CB ALA A 61 6.648 32.326 -6.615 1.00 0.00 C ATOM 0 H ALA A 61 7.793 30.281 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 61 6.322 32.561 -8.716 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.433 33.369 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.745 31.731 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.428 31.958 -5.949 1.00 0.00 H new ATOM 904 N ASP A 62 9.522 32.544 -8.060 1.00 0.00 N ATOM 905 CA ASP A 62 10.765 33.285 -8.243 1.00 0.00 C ATOM 906 C ASP A 62 11.517 32.789 -9.474 1.00 0.00 C ATOM 907 O ASP A 62 12.369 31.903 -9.396 1.00 0.00 O ATOM 908 CB ASP A 62 11.649 33.153 -7.002 1.00 0.00 C ATOM 909 CG ASP A 62 11.263 34.131 -5.909 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.335 33.818 -5.134 1.00 0.00 O ATOM 911 OD2 ASP A 62 11.888 35.208 -5.829 1.00 0.00 O ATOM 0 H ASP A 62 9.647 31.581 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 62 10.515 34.336 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.579 32.136 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.690 33.317 -7.282 1.00 0.00 H new ATOM 916 N PRO A 63 11.195 33.371 -10.639 1.00 0.00 N ATOM 917 CA PRO A 63 11.829 33.004 -11.909 1.00 0.00 C ATOM 918 C PRO A 63 13.287 33.445 -11.978 1.00 0.00 C ATOM 919 O PRO A 63 14.053 32.957 -12.808 1.00 0.00 O ATOM 920 CB PRO A 63 10.994 33.751 -12.951 1.00 0.00 C ATOM 921 CG PRO A 63 10.416 34.910 -12.213 1.00 0.00 C ATOM 922 CD PRO A 63 10.189 34.433 -10.806 1.00 0.00 C ATOM 0 HA PRO A 63 11.852 31.924 -12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.609 34.081 -13.788 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.211 33.113 -13.362 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.095 35.762 -12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.482 35.237 -12.670 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.328 35.236 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.177 34.053 -10.669 1.00 0.00 H new ATOM 930 N ASN A 64 13.663 34.370 -11.101 1.00 0.00 N ATOM 931 CA ASN A 64 15.030 34.876 -11.063 1.00 0.00 C ATOM 932 C ASN A 64 15.970 33.859 -10.423 1.00 0.00 C ATOM 933 O ASN A 64 17.139 33.756 -10.796 1.00 0.00 O ATOM 934 CB ASN A 64 15.086 36.196 -10.291 1.00 0.00 C ATOM 935 CG ASN A 64 13.972 37.145 -10.687 1.00 0.00 C ATOM 936 OD1 ASN A 64 12.821 36.971 -10.286 1.00 0.00 O ATOM 937 ND2 ASN A 64 14.310 38.156 -11.479 1.00 0.00 N ATOM 0 H ASN A 64 13.040 34.784 -10.407 1.00 0.00 H new ATOM 0 HA ASN A 64 15.355 35.049 -12.089 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.023 35.992 -9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.049 36.676 -10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.603 38.827 -11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.277 38.261 -11.787 1.00 0.00 H new ATOM 944 N LYS A 65 15.451 33.109 -9.457 1.00 0.00 N ATOM 945 CA LYS A 65 16.241 32.098 -8.765 1.00 0.00 C ATOM 946 C LYS A 65 16.540 30.918 -9.684 1.00 0.00 C ATOM 947 O LYS A 65 17.615 30.322 -9.615 1.00 0.00 O ATOM 948 CB LYS A 65 15.503 31.611 -7.516 1.00 0.00 C ATOM 949 CG LYS A 65 15.792 32.440 -6.277 1.00 0.00 C ATOM 950 CD LYS A 65 17.101 32.029 -5.624 1.00 0.00 C ATOM 951 CE LYS A 65 16.973 30.692 -4.910 1.00 0.00 C ATOM 952 NZ LYS A 65 16.546 30.859 -3.493 1.00 0.00 N ATOM 0 H LYS A 65 14.486 33.182 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 65 17.186 32.553 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.430 31.624 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.779 30.575 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.834 33.495 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.976 32.325 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.882 31.965 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.410 32.795 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.251 30.067 -5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.929 30.170 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.470 29.925 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.248 31.434 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.621 31.334 -3.463 1.00 0.00 H new ATOM 966 N ALA A 66 15.584 30.587 -10.545 1.00 0.00 N ATOM 967 CA ALA A 66 15.747 29.481 -11.480 1.00 0.00 C ATOM 968 C ALA A 66 17.197 29.354 -11.933 1.00 0.00 C ATOM 969 O ALA A 66 17.819 28.304 -11.771 1.00 0.00 O ATOM 970 CB ALA A 66 14.831 29.666 -12.681 1.00 0.00 C ATOM 0 H ALA A 66 14.688 31.069 -10.614 1.00 0.00 H new ATOM 0 HA ALA A 66 15.473 28.560 -10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.963 28.833 -13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.794 29.699 -12.346 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.079 30.599 -13.187 1.00 0.00 H new ATOM 976 N ASP A 67 17.731 30.429 -12.502 1.00 0.00 N ATOM 977 CA ASP A 67 19.109 30.438 -12.979 1.00 0.00 C ATOM 978 C ASP A 67 20.036 29.763 -11.973 1.00 0.00 C ATOM 979 O ASP A 67 20.763 28.831 -12.314 1.00 0.00 O ATOM 980 CB ASP A 67 19.573 31.873 -13.236 1.00 0.00 C ATOM 981 CG ASP A 67 18.808 32.535 -14.364 1.00 0.00 C ATOM 982 OD1 ASP A 67 18.533 31.855 -15.375 1.00 0.00 O ATOM 983 OD2 ASP A 67 18.483 33.734 -14.237 1.00 0.00 O ATOM 0 H ASP A 67 17.230 31.306 -12.644 1.00 0.00 H new ATOM 0 HA ASP A 67 19.148 29.879 -13.914 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.452 32.460 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 67 20.637 31.871 -13.474 1.00 0.00 H new ATOM 988 N GLU A 68 20.005 30.242 -10.733 1.00 0.00 N ATOM 989 CA GLU A 68 20.845 29.686 -9.679 1.00 0.00 C ATOM 990 C GLU A 68 20.560 28.199 -9.485 1.00 0.00 C ATOM 991 O GLU A 68 21.427 27.355 -9.710 1.00 0.00 O ATOM 992 CB GLU A 68 20.616 30.435 -8.365 1.00 0.00 C ATOM 993 CG GLU A 68 20.784 31.941 -8.486 1.00 0.00 C ATOM 994 CD GLU A 68 22.199 32.341 -8.858 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.618 32.051 -9.998 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.886 32.946 -8.008 1.00 0.00 O ATOM 0 H GLU A 68 19.408 31.013 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 68 21.886 29.804 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.611 30.218 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.313 30.059 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.093 32.321 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.514 32.410 -7.540 1.00 0.00 H new ATOM 1003 N VAL A 69 19.338 27.886 -9.065 1.00 0.00 N ATOM 1004 CA VAL A 69 18.938 26.502 -8.840 1.00 0.00 C ATOM 1005 C VAL A 69 19.491 25.587 -9.927 1.00 0.00 C ATOM 1006 O VAL A 69 20.226 24.641 -9.642 1.00 0.00 O ATOM 1007 CB VAL A 69 17.405 26.361 -8.798 1.00 0.00 C ATOM 1008 CG1 VAL A 69 17.004 24.895 -8.758 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.834 27.111 -7.603 1.00 0.00 C ATOM 0 H VAL A 69 18.608 28.572 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 69 19.350 26.206 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 69 16.992 26.801 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.917 24.816 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.381 24.390 -9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.426 24.426 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.750 27.001 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 69 17.252 26.702 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 69 17.090 28.168 -7.680 1.00 0.00 H new ATOM 1019 N TYR A 70 19.133 25.875 -11.173 1.00 0.00 N ATOM 1020 CA TYR A 70 19.593 25.076 -12.304 1.00 0.00 C ATOM 1021 C TYR A 70 21.052 24.669 -12.126 1.00 0.00 C ATOM 1022 O TYR A 70 21.405 23.499 -12.269 1.00 0.00 O ATOM 1023 CB TYR A 70 19.424 25.857 -13.608 1.00 0.00 C ATOM 1024 CG TYR A 70 17.984 26.175 -13.942 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.979 25.240 -13.730 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.629 27.410 -14.471 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.662 25.526 -14.034 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.315 27.705 -14.776 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.335 26.760 -14.556 1.00 0.00 C ATOM 1030 OH TYR A 70 14.024 27.049 -14.861 1.00 0.00 O ATOM 0 H TYR A 70 18.526 26.655 -11.426 1.00 0.00 H new ATOM 0 HA TYR A 70 18.986 24.172 -12.349 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.986 26.788 -13.539 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.859 25.282 -14.425 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.231 24.273 -13.321 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.394 28.152 -14.647 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.893 24.787 -13.864 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.056 28.671 -15.185 1.00 0.00 H new ATOM 0 HH TYR A 70 13.964 27.960 -15.218 1.00 0.00 H new ATOM 1040 N LYS A 71 21.897 25.645 -11.813 1.00 0.00 N ATOM 1041 CA LYS A 71 23.319 25.392 -11.613 1.00 0.00 C ATOM 1042 C LYS A 71 23.543 24.436 -10.445 1.00 0.00 C ATOM 1043 O LYS A 71 24.371 23.529 -10.521 1.00 0.00 O ATOM 1044 CB LYS A 71 24.062 26.706 -11.360 1.00 0.00 C ATOM 1045 CG LYS A 71 24.565 27.374 -12.628 1.00 0.00 C ATOM 1046 CD LYS A 71 23.511 28.284 -13.234 1.00 0.00 C ATOM 1047 CE LYS A 71 24.115 29.230 -14.261 1.00 0.00 C ATOM 1048 NZ LYS A 71 25.080 30.180 -13.640 1.00 0.00 N ATOM 0 H LYS A 71 21.621 26.620 -11.692 1.00 0.00 H new ATOM 0 HA LYS A 71 23.711 24.929 -12.519 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.399 27.394 -10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.908 26.514 -10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.461 27.952 -12.405 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.850 26.612 -13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.735 27.681 -13.706 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.030 28.861 -12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.621 28.652 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.319 29.790 -14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 25.172 31.024 -14.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.735 30.460 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 26.008 29.720 -13.545 1.00 0.00 H new ATOM 1062 N LYS A 72 22.798 24.646 -9.365 1.00 0.00 N ATOM 1063 CA LYS A 72 22.912 23.802 -8.181 1.00 0.00 C ATOM 1064 C LYS A 72 22.628 22.343 -8.523 1.00 0.00 C ATOM 1065 O LYS A 72 23.497 21.482 -8.385 1.00 0.00 O ATOM 1066 CB LYS A 72 21.947 24.279 -7.094 1.00 0.00 C ATOM 1067 CG LYS A 72 22.424 25.519 -6.358 1.00 0.00 C ATOM 1068 CD LYS A 72 21.378 26.025 -5.379 1.00 0.00 C ATOM 1069 CE LYS A 72 21.837 27.294 -4.679 1.00 0.00 C ATOM 1070 NZ LYS A 72 22.145 28.382 -5.647 1.00 0.00 N ATOM 0 H LYS A 72 22.109 25.394 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 72 23.934 23.877 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.977 24.486 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.798 23.474 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.346 25.293 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.658 26.303 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.445 26.218 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.170 25.254 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.061 27.630 -3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.723 27.079 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.832 29.293 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.170 28.413 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.649 28.201 -6.543 1.00 0.00 H new ATOM 1084 N TRP A 73 21.407 22.073 -8.971 1.00 0.00 N ATOM 1085 CA TRP A 73 21.009 20.717 -9.335 1.00 0.00 C ATOM 1086 C TRP A 73 22.143 19.990 -10.048 1.00 0.00 C ATOM 1087 O TRP A 73 22.688 19.014 -9.532 1.00 0.00 O ATOM 1088 CB TRP A 73 19.767 20.751 -10.227 1.00 0.00 C ATOM 1089 CG TRP A 73 18.487 20.890 -9.460 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.252 20.482 -8.178 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.267 21.476 -9.927 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.959 20.780 -7.819 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.335 21.390 -8.875 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.873 22.067 -11.130 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.034 21.872 -8.993 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.581 22.544 -11.246 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.674 22.445 -10.182 1.00 0.00 C ATOM 0 H TRP A 73 20.676 22.774 -9.091 1.00 0.00 H new ATOM 0 HA TRP A 73 20.775 20.175 -8.419 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.854 21.582 -10.927 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.729 19.837 -10.820 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.976 19.997 -7.540 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.534 20.580 -6.914 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.566 22.150 -11.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.334 21.796 -8.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.265 23.001 -12.172 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.672 22.828 -10.303 1.00 0.00 H new ATOM 1108 N ALA A 74 22.494 20.471 -11.236 1.00 0.00 N ATOM 1109 CA ALA A 74 23.566 19.867 -12.018 1.00 0.00 C ATOM 1110 C ALA A 74 24.770 19.542 -11.141 1.00 0.00 C ATOM 1111 O ALA A 74 25.445 18.533 -11.346 1.00 0.00 O ATOM 1112 CB ALA A 74 23.973 20.790 -13.157 1.00 0.00 C ATOM 0 H ALA A 74 22.052 21.277 -11.678 1.00 0.00 H new ATOM 0 HA ALA A 74 23.194 18.933 -12.438 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.774 20.326 -13.732 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.115 20.967 -13.806 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.321 21.739 -12.749 1.00 0.00 H new ATOM 1118 N ASP A 75 25.034 20.404 -10.165 1.00 0.00 N ATOM 1119 CA ASP A 75 26.158 20.208 -9.256 1.00 0.00 C ATOM 1120 C ASP A 75 25.939 18.980 -8.378 1.00 0.00 C ATOM 1121 O ASP A 75 26.810 18.117 -8.269 1.00 0.00 O ATOM 1122 CB ASP A 75 26.355 21.447 -8.381 1.00 0.00 C ATOM 1123 CG ASP A 75 27.798 21.628 -7.951 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.578 22.223 -8.724 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.147 21.175 -6.841 1.00 0.00 O ATOM 0 H ASP A 75 24.486 21.245 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 75 27.055 20.049 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.028 22.331 -8.929 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.722 21.368 -7.497 1.00 0.00 H new ATOM 1130 N LYS A 76 24.769 18.908 -7.751 1.00 0.00 N ATOM 1131 CA LYS A 76 24.434 17.786 -6.882 1.00 0.00 C ATOM 1132 C LYS A 76 24.731 16.457 -7.570 1.00 0.00 C ATOM 1133 O LYS A 76 25.268 15.536 -6.956 1.00 0.00 O ATOM 1134 CB LYS A 76 22.958 17.847 -6.482 1.00 0.00 C ATOM 1135 CG LYS A 76 22.567 19.145 -5.796 1.00 0.00 C ATOM 1136 CD LYS A 76 23.222 19.273 -4.431 1.00 0.00 C ATOM 1137 CE LYS A 76 22.605 18.314 -3.424 1.00 0.00 C ATOM 1138 NZ LYS A 76 21.166 18.611 -3.185 1.00 0.00 N ATOM 0 H LYS A 76 24.037 19.614 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 76 25.050 17.856 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.343 17.717 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.736 17.013 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.857 19.990 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.483 19.188 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.290 19.073 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.118 20.297 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.709 17.291 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.150 18.376 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.971 18.583 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.941 19.556 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.580 17.901 -3.669 1.00 0.00 H new ATOM 1152 N GLY A 77 24.378 16.366 -8.848 1.00 0.00 N ATOM 1153 CA GLY A 77 24.616 15.147 -9.598 1.00 0.00 C ATOM 1154 C GLY A 77 23.330 14.450 -9.996 1.00 0.00 C ATOM 1155 O GLY A 77 23.197 13.237 -9.834 1.00 0.00 O ATOM 0 H GLY A 77 23.931 17.115 -9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.191 15.382 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.223 14.468 -8.999 1.00 0.00 H new ATOM 1159 N TYR A 78 22.379 15.219 -10.516 1.00 0.00 N ATOM 1160 CA TYR A 78 21.095 14.669 -10.934 1.00 0.00 C ATOM 1161 C TYR A 78 21.018 14.561 -12.454 1.00 0.00 C ATOM 1162 O TYR A 78 21.873 15.081 -13.171 1.00 0.00 O ATOM 1163 CB TYR A 78 19.950 15.540 -10.415 1.00 0.00 C ATOM 1164 CG TYR A 78 19.969 15.734 -8.916 1.00 0.00 C ATOM 1165 CD1 TYR A 78 20.054 14.646 -8.056 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.901 17.005 -8.358 1.00 0.00 C ATOM 1167 CE1 TYR A 78 20.071 14.818 -6.685 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.918 17.187 -6.989 1.00 0.00 C ATOM 1169 CZ TYR A 78 20.004 16.090 -6.157 1.00 0.00 C ATOM 1170 OH TYR A 78 20.020 16.267 -4.792 1.00 0.00 O ATOM 0 H TYR A 78 22.473 16.225 -10.658 1.00 0.00 H new ATOM 0 HA TYR A 78 21.002 13.669 -10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.998 16.515 -10.900 1.00 0.00 H new ATOM 0 HB3 TYR A 78 19.001 15.087 -10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 78 20.108 13.648 -8.466 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.834 17.866 -9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 78 20.136 13.961 -6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 78 19.864 18.182 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 78 20.534 15.545 -4.374 1.00 0.00 H new ATOM 1180 N THR A 79 19.984 13.881 -12.941 1.00 0.00 N ATOM 1181 CA THR A 79 19.792 13.703 -14.374 1.00 0.00 C ATOM 1182 C THR A 79 18.311 13.695 -14.735 1.00 0.00 C ATOM 1183 O THR A 79 17.463 13.349 -13.911 1.00 0.00 O ATOM 1184 CB THR A 79 20.436 12.394 -14.869 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.269 12.270 -16.285 1.00 0.00 O ATOM 1186 CG2 THR A 79 19.818 11.191 -14.173 1.00 0.00 C ATOM 0 H THR A 79 19.266 13.444 -12.362 1.00 0.00 H new ATOM 0 HA THR A 79 20.278 14.547 -14.864 1.00 0.00 H new ATOM 0 HB THR A 79 21.499 12.425 -14.631 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.683 11.436 -16.591 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.288 10.278 -14.538 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.973 11.274 -13.097 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.749 11.158 -14.384 1.00 0.00 H new ATOM 1194 N LEU A 80 18.006 14.078 -15.970 1.00 0.00 N ATOM 1195 CA LEU A 80 16.625 14.115 -16.440 1.00 0.00 C ATOM 1196 C LEU A 80 15.825 12.949 -15.869 1.00 0.00 C ATOM 1197 O LEU A 80 14.731 13.135 -15.335 1.00 0.00 O ATOM 1198 CB LEU A 80 16.586 14.076 -17.969 1.00 0.00 C ATOM 1199 CG LEU A 80 17.165 15.295 -18.687 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.633 14.919 -20.084 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.137 16.415 -18.750 1.00 0.00 C ATOM 0 H LEU A 80 18.696 14.367 -16.664 1.00 0.00 H new ATOM 0 HA LEU A 80 16.173 15.045 -16.095 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.128 13.191 -18.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.549 13.953 -18.283 1.00 0.00 H new ATOM 0 HG LEU A 80 18.026 15.651 -18.121 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.042 15.799 -20.580 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.403 14.151 -20.015 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.790 14.537 -20.660 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.567 17.275 -19.264 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.256 16.071 -19.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.851 16.703 -17.739 1.00 0.00 H new ATOM 1213 N THR A 81 16.378 11.745 -15.983 1.00 0.00 N ATOM 1214 CA THR A 81 15.716 10.549 -15.478 1.00 0.00 C ATOM 1215 C THR A 81 15.144 10.784 -14.085 1.00 0.00 C ATOM 1216 O THR A 81 13.928 10.777 -13.894 1.00 0.00 O ATOM 1217 CB THR A 81 16.683 9.351 -15.428 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.213 9.095 -16.733 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.977 8.108 -14.909 1.00 0.00 C ATOM 0 H THR A 81 17.283 11.573 -16.421 1.00 0.00 H new ATOM 0 HA THR A 81 14.903 10.322 -16.168 1.00 0.00 H new ATOM 0 HB THR A 81 17.498 9.598 -14.747 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.828 8.333 -16.693 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.679 7.275 -14.882 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.600 8.297 -13.904 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.145 7.860 -15.568 1.00 0.00 H new ATOM 1227 N GLN A 82 16.028 10.994 -13.115 1.00 0.00 N ATOM 1228 CA GLN A 82 15.610 11.231 -11.738 1.00 0.00 C ATOM 1229 C GLN A 82 14.881 12.565 -11.613 1.00 0.00 C ATOM 1230 O GLN A 82 13.728 12.617 -11.186 1.00 0.00 O ATOM 1231 CB GLN A 82 16.820 11.208 -10.803 1.00 0.00 C ATOM 1232 CG GLN A 82 17.473 9.840 -10.688 1.00 0.00 C ATOM 1233 CD GLN A 82 18.173 9.637 -9.359 1.00 0.00 C ATOM 1234 OE1 GLN A 82 17.547 9.268 -8.365 1.00 0.00 O ATOM 1235 NE2 GLN A 82 19.479 9.878 -9.334 1.00 0.00 N ATOM 0 H GLN A 82 17.038 11.005 -13.257 1.00 0.00 H new ATOM 0 HA GLN A 82 14.924 10.434 -11.451 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.559 11.925 -11.160 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.509 11.538 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.715 9.068 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.194 9.717 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.958 10.182 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 82 20.003 9.759 -8.467 1.00 0.00 H new ATOM 1244 N MET A 83 15.563 13.643 -11.988 1.00 0.00 N ATOM 1245 CA MET A 83 14.980 14.978 -11.918 1.00 0.00 C ATOM 1246 C MET A 83 13.499 14.944 -12.283 1.00 0.00 C ATOM 1247 O MET A 83 12.642 15.297 -11.473 1.00 0.00 O ATOM 1248 CB MET A 83 15.725 15.933 -12.853 1.00 0.00 C ATOM 1249 CG MET A 83 15.092 17.311 -12.945 1.00 0.00 C ATOM 1250 SD MET A 83 15.230 18.244 -11.408 1.00 0.00 S ATOM 1251 CE MET A 83 16.997 18.165 -11.122 1.00 0.00 C ATOM 0 H MET A 83 16.519 13.618 -12.343 1.00 0.00 H new ATOM 0 HA MET A 83 15.076 15.336 -10.893 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.754 16.037 -12.508 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.766 15.494 -13.850 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.568 17.872 -13.750 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.040 17.206 -13.208 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.227 18.589 -10.145 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.324 17.126 -11.153 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.516 18.732 -11.895 1.00 0.00 H new ATOM 1261 N SER A 84 13.205 14.517 -13.507 1.00 0.00 N ATOM 1262 CA SER A 84 11.828 14.442 -13.980 1.00 0.00 C ATOM 1263 C SER A 84 10.960 13.657 -13.001 1.00 0.00 C ATOM 1264 O SER A 84 9.860 14.084 -12.651 1.00 0.00 O ATOM 1265 CB SER A 84 11.776 13.787 -15.362 1.00 0.00 C ATOM 1266 OG SER A 84 12.127 12.416 -15.291 1.00 0.00 O ATOM 0 H SER A 84 13.902 14.218 -14.189 1.00 0.00 H new ATOM 0 HA SER A 84 11.439 15.458 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.774 13.888 -15.778 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.455 14.305 -16.039 1.00 0.00 H new ATOM 0 HG SER A 84 13.093 12.333 -15.146 1.00 0.00 H new ATOM 1272 N ASN A 85 11.463 12.508 -12.564 1.00 0.00 N ATOM 1273 CA ASN A 85 10.734 11.662 -11.625 1.00 0.00 C ATOM 1274 C ASN A 85 10.389 12.432 -10.354 1.00 0.00 C ATOM 1275 O ASN A 85 9.283 12.316 -9.826 1.00 0.00 O ATOM 1276 CB ASN A 85 11.560 10.422 -11.276 1.00 0.00 C ATOM 1277 CG ASN A 85 11.297 9.267 -12.222 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.155 8.841 -12.398 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.356 8.754 -12.837 1.00 0.00 N ATOM 0 H ASN A 85 12.372 12.141 -12.844 1.00 0.00 H new ATOM 0 HA ASN A 85 9.805 11.349 -12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.620 10.676 -11.302 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.332 10.112 -10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.241 7.975 -13.486 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.284 9.139 -12.661 1.00 0.00 H new ATOM 1286 N PHE A 86 11.343 13.219 -9.868 1.00 0.00 N ATOM 1287 CA PHE A 86 11.141 14.009 -8.659 1.00 0.00 C ATOM 1288 C PHE A 86 10.075 15.078 -8.879 1.00 0.00 C ATOM 1289 O PHE A 86 9.060 15.112 -8.183 1.00 0.00 O ATOM 1290 CB PHE A 86 12.455 14.663 -8.226 1.00 0.00 C ATOM 1291 CG PHE A 86 13.522 13.675 -7.851 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.222 12.579 -7.058 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.825 13.842 -8.292 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.201 11.668 -6.711 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.808 12.933 -7.949 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.497 11.845 -7.157 1.00 0.00 C ATOM 0 H PHE A 86 12.264 13.327 -10.293 1.00 0.00 H new ATOM 0 HA PHE A 86 10.800 13.339 -7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.823 15.292 -9.037 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.263 15.318 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.211 12.435 -6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.075 14.691 -8.910 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.954 10.818 -6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.820 13.073 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.264 11.135 -6.887 1.00 0.00 H new ATOM 1306 N LEU A 87 10.315 15.952 -9.852 1.00 0.00 N ATOM 1307 CA LEU A 87 9.376 17.024 -10.165 1.00 0.00 C ATOM 1308 C LEU A 87 8.001 16.461 -10.510 1.00 0.00 C ATOM 1309 O LEU A 87 6.975 17.072 -10.210 1.00 0.00 O ATOM 1310 CB LEU A 87 9.903 17.865 -11.329 1.00 0.00 C ATOM 1311 CG LEU A 87 11.117 18.744 -11.027 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.705 19.301 -12.314 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.736 19.873 -10.080 1.00 0.00 C ATOM 0 H LEU A 87 11.151 15.939 -10.437 1.00 0.00 H new ATOM 0 HA LEU A 87 9.277 17.657 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.160 17.194 -12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.095 18.505 -11.683 1.00 0.00 H new ATOM 0 HG LEU A 87 11.875 18.130 -10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.568 19.924 -12.080 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.015 18.478 -12.958 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.953 19.900 -12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.612 20.488 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.961 20.487 -10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.362 19.454 -9.146 1.00 0.00 H new ATOM 1325 N LYS A 88 7.988 15.291 -11.139 1.00 0.00 N ATOM 1326 CA LYS A 88 6.739 14.642 -11.523 1.00 0.00 C ATOM 1327 C LYS A 88 5.895 14.319 -10.294 1.00 0.00 C ATOM 1328 O LYS A 88 6.187 13.375 -9.560 1.00 0.00 O ATOM 1329 CB LYS A 88 7.027 13.362 -12.309 1.00 0.00 C ATOM 1330 CG LYS A 88 7.143 13.581 -13.808 1.00 0.00 C ATOM 1331 CD LYS A 88 6.745 12.338 -14.586 1.00 0.00 C ATOM 1332 CE LYS A 88 7.893 11.344 -14.674 1.00 0.00 C ATOM 1333 NZ LYS A 88 7.406 9.944 -14.813 1.00 0.00 N ATOM 0 H LYS A 88 8.828 14.772 -11.394 1.00 0.00 H new ATOM 0 HA LYS A 88 6.179 15.331 -12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.954 12.921 -11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.233 12.641 -12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.508 14.416 -14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.168 13.855 -14.058 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.889 11.865 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.430 12.621 -15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.526 11.595 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.513 11.426 -13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.219 9.298 -14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.823 9.696 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.835 9.859 -15.678 1.00 0.00 H new ATOM 1433 N TYR A 95 5.062 20.941 -13.321 1.00 0.00 N ATOM 1434 CA TYR A 95 6.308 21.697 -13.271 1.00 0.00 C ATOM 1435 C TYR A 95 7.054 21.606 -14.599 1.00 0.00 C ATOM 1436 O TYR A 95 8.275 21.455 -14.629 1.00 0.00 O ATOM 1437 CB TYR A 95 7.197 21.183 -12.138 1.00 0.00 C ATOM 1438 CG TYR A 95 6.571 21.319 -10.768 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.609 22.527 -10.082 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.942 20.240 -10.159 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.040 22.656 -8.831 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.368 20.360 -8.909 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.420 21.570 -8.248 1.00 0.00 C ATOM 1444 OH TYR A 95 4.851 21.693 -7.001 1.00 0.00 O ATOM 0 HA TYR A 95 6.061 22.742 -13.084 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.431 20.134 -12.319 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.141 21.728 -12.153 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.092 23.380 -10.536 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.901 19.291 -10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.080 23.602 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.881 19.512 -8.451 1.00 0.00 H new ATOM 0 HH TYR A 95 4.456 20.836 -6.736 1.00 0.00 H new ATOM 1454 N ASP A 96 6.310 21.700 -15.696 1.00 0.00 N ATOM 1455 CA ASP A 96 6.899 21.631 -17.028 1.00 0.00 C ATOM 1456 C ASP A 96 7.851 22.800 -17.262 1.00 0.00 C ATOM 1457 O ASP A 96 8.925 22.632 -17.840 1.00 0.00 O ATOM 1458 CB ASP A 96 5.803 21.628 -18.094 1.00 0.00 C ATOM 1459 CG ASP A 96 6.285 22.179 -19.422 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.060 21.480 -20.108 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.889 23.309 -19.775 1.00 0.00 O ATOM 0 H ASP A 96 5.298 21.824 -15.689 1.00 0.00 H new ATOM 0 HA ASP A 96 7.467 20.703 -17.100 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.441 20.610 -18.236 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.958 22.220 -17.744 1.00 0.00 H new ATOM 1466 N ARG A 97 7.449 23.983 -16.812 1.00 0.00 N ATOM 1467 CA ARG A 97 8.265 25.180 -16.975 1.00 0.00 C ATOM 1468 C ARG A 97 9.614 25.017 -16.281 1.00 0.00 C ATOM 1469 O ARG A 97 10.666 25.124 -16.912 1.00 0.00 O ATOM 1470 CB ARG A 97 7.535 26.402 -16.413 1.00 0.00 C ATOM 1471 CG ARG A 97 8.262 27.713 -16.660 1.00 0.00 C ATOM 1472 CD ARG A 97 8.091 28.183 -18.096 1.00 0.00 C ATOM 1473 NE ARG A 97 9.237 28.961 -18.558 1.00 0.00 N ATOM 1474 CZ ARG A 97 10.467 28.470 -18.656 1.00 0.00 C ATOM 1475 NH1 ARG A 97 10.710 27.209 -18.327 1.00 0.00 N ATOM 1476 NH2 ARG A 97 11.459 29.242 -19.085 1.00 0.00 N ATOM 0 H ARG A 97 6.563 24.139 -16.331 1.00 0.00 H new ATOM 0 HA ARG A 97 8.439 25.328 -18.041 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.542 26.458 -16.858 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.396 26.270 -15.340 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.882 28.475 -15.979 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.322 27.589 -16.440 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.954 27.319 -18.746 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.187 28.787 -18.174 1.00 0.00 H new ATOM 0 HE ARG A 97 9.084 29.935 -18.820 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.951 26.613 -17.997 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.656 26.835 -18.404 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.276 30.213 -19.339 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.403 28.864 -19.160 1.00 0.00 H new ATOM 1490 N VAL A 98 9.577 24.758 -14.978 1.00 0.00 N ATOM 1491 CA VAL A 98 10.796 24.579 -14.198 1.00 0.00 C ATOM 1492 C VAL A 98 11.671 23.481 -14.790 1.00 0.00 C ATOM 1493 O VAL A 98 12.861 23.683 -15.031 1.00 0.00 O ATOM 1494 CB VAL A 98 10.478 24.232 -12.731 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.761 24.039 -11.938 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.611 25.314 -12.104 1.00 0.00 C ATOM 0 H VAL A 98 8.715 24.667 -14.440 1.00 0.00 H new ATOM 0 HA VAL A 98 11.335 25.526 -14.231 1.00 0.00 H new ATOM 0 HB VAL A 98 9.922 23.295 -12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.517 23.795 -10.904 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.341 23.226 -12.376 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.347 24.958 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.396 25.053 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.139 26.267 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.676 25.398 -12.658 1.00 0.00 H new ATOM 1506 N TYR A 99 11.073 22.318 -15.024 1.00 0.00 N ATOM 1507 CA TYR A 99 11.799 21.185 -15.587 1.00 0.00 C ATOM 1508 C TYR A 99 12.458 21.564 -16.910 1.00 0.00 C ATOM 1509 O TYR A 99 13.632 21.271 -17.138 1.00 0.00 O ATOM 1510 CB TYR A 99 10.854 20.001 -15.797 1.00 0.00 C ATOM 1511 CG TYR A 99 11.473 18.864 -16.579 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.572 18.172 -16.086 1.00 0.00 C ATOM 1513 CD2 TYR A 99 10.958 18.483 -17.812 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.141 17.134 -16.797 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.520 17.444 -18.530 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.611 16.773 -18.019 1.00 0.00 C ATOM 1517 OH TYR A 99 13.174 15.739 -18.731 1.00 0.00 O ATOM 0 H TYR A 99 10.088 22.135 -14.833 1.00 0.00 H new ATOM 0 HA TYR A 99 12.579 20.899 -14.882 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.530 19.629 -14.825 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.962 20.347 -16.319 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.989 18.451 -15.130 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.105 19.007 -18.216 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.996 16.608 -16.399 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.107 17.159 -19.486 1.00 0.00 H new ATOM 0 HH TYR A 99 12.681 15.612 -19.569 1.00 0.00 H new ATOM 1527 N ASN A 100 11.694 22.218 -17.779 1.00 0.00 N ATOM 1528 CA ASN A 100 12.203 22.638 -19.079 1.00 0.00 C ATOM 1529 C ASN A 100 13.567 23.309 -18.940 1.00 0.00 C ATOM 1530 O ASN A 100 14.556 22.852 -19.510 1.00 0.00 O ATOM 1531 CB ASN A 100 11.218 23.596 -19.751 1.00 0.00 C ATOM 1532 CG ASN A 100 11.712 24.084 -21.099 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.644 23.519 -21.672 1.00 0.00 O ATOM 1534 ND2 ASN A 100 11.089 25.139 -21.612 1.00 0.00 N ATOM 0 H ASN A 100 10.720 22.468 -17.606 1.00 0.00 H new ATOM 0 HA ASN A 100 12.317 21.749 -19.700 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.258 23.095 -19.879 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.046 24.452 -19.099 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.378 25.512 -22.516 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.321 25.576 -21.102 1.00 0.00 H new ATOM 1541 N GLY A 101 13.610 24.396 -18.175 1.00 0.00 N ATOM 1542 CA GLY A 101 14.856 25.112 -17.973 1.00 0.00 C ATOM 1543 C GLY A 101 16.032 24.180 -17.761 1.00 0.00 C ATOM 1544 O GLY A 101 17.004 24.214 -18.516 1.00 0.00 O ATOM 0 H GLY A 101 12.804 24.793 -17.692 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.051 25.747 -18.837 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.758 25.770 -17.110 1.00 0.00 H new ATOM 1548 N TYR A 102 15.946 23.346 -16.730 1.00 0.00 N ATOM 1549 CA TYR A 102 17.014 22.404 -16.419 1.00 0.00 C ATOM 1550 C TYR A 102 17.455 21.648 -17.668 1.00 0.00 C ATOM 1551 O TYR A 102 18.643 21.591 -17.986 1.00 0.00 O ATOM 1552 CB TYR A 102 16.552 21.414 -15.347 1.00 0.00 C ATOM 1553 CG TYR A 102 17.651 20.500 -14.854 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.803 21.016 -14.274 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.537 19.120 -14.968 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.810 20.185 -13.822 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.538 18.281 -14.518 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.672 18.818 -13.946 1.00 0.00 C ATOM 1559 OH TYR A 102 20.672 17.986 -13.497 1.00 0.00 O ATOM 0 H TYR A 102 15.148 23.304 -16.096 1.00 0.00 H new ATOM 0 HA TYR A 102 17.865 22.970 -16.040 1.00 0.00 H new ATOM 0 HB2 TYR A 102 16.146 21.970 -14.502 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.740 20.808 -15.749 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.913 22.086 -14.175 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.651 18.696 -15.416 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.700 20.603 -13.374 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.433 17.210 -14.614 1.00 0.00 H new ATOM 0 HH TYR A 102 20.418 17.053 -13.658 1.00 0.00 H new ATOM 1569 N VAL A 103 16.489 21.069 -18.374 1.00 0.00 N ATOM 1570 CA VAL A 103 16.776 20.318 -19.590 1.00 0.00 C ATOM 1571 C VAL A 103 17.845 21.013 -20.427 1.00 0.00 C ATOM 1572 O VAL A 103 18.893 20.436 -20.718 1.00 0.00 O ATOM 1573 CB VAL A 103 15.510 20.131 -20.447 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.816 19.291 -21.678 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.398 19.499 -19.623 1.00 0.00 C ATOM 0 H VAL A 103 15.501 21.106 -18.125 1.00 0.00 H new ATOM 0 HA VAL A 103 17.142 19.340 -19.278 1.00 0.00 H new ATOM 0 HB VAL A 103 15.171 21.111 -20.782 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.909 19.170 -22.271 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.578 19.789 -22.278 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.181 18.311 -21.369 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.511 19.374 -20.244 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.725 18.526 -19.257 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.161 20.144 -18.777 1.00 0.00 H new ATOM 1585 N ILE A 104 17.572 22.256 -20.809 1.00 0.00 N ATOM 1586 CA ILE A 104 18.511 23.031 -21.611 1.00 0.00 C ATOM 1587 C ILE A 104 19.872 23.122 -20.929 1.00 0.00 C ATOM 1588 O ILE A 104 20.903 22.829 -21.536 1.00 0.00 O ATOM 1589 CB ILE A 104 17.985 24.455 -21.874 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.630 24.399 -22.582 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.988 25.245 -22.701 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.744 25.588 -22.285 1.00 0.00 C ATOM 0 H ILE A 104 16.709 22.748 -20.576 1.00 0.00 H new ATOM 0 HA ILE A 104 18.618 22.510 -22.563 1.00 0.00 H new ATOM 0 HB ILE A 104 17.853 24.960 -20.917 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.794 24.338 -23.658 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.112 23.487 -22.286 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.603 26.249 -22.879 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.933 25.309 -22.162 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.148 24.743 -23.655 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.800 25.481 -22.820 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.550 25.639 -21.214 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.242 26.502 -22.607 1.00 0.00 H new ATOM 1604 N HIS A 105 19.868 23.527 -19.663 1.00 0.00 N ATOM 1605 CA HIS A 105 21.102 23.654 -18.897 1.00 0.00 C ATOM 1606 C HIS A 105 22.019 22.459 -19.142 1.00 0.00 C ATOM 1607 O HIS A 105 23.172 22.621 -19.544 1.00 0.00 O ATOM 1608 CB HIS A 105 20.791 23.775 -17.405 1.00 0.00 C ATOM 1609 CG HIS A 105 22.013 23.810 -16.539 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.577 24.981 -16.080 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.778 22.808 -16.047 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.638 24.699 -15.345 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.781 23.386 -15.308 1.00 0.00 N ATOM 0 H HIS A 105 19.024 23.773 -19.146 1.00 0.00 H new ATOM 0 HA HIS A 105 21.615 24.557 -19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.210 24.681 -17.236 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.166 22.935 -17.103 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.628 21.750 -16.206 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.279 25.419 -14.858 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.517 22.883 -14.811 1.00 0.00 H new ATOM 1622 N LEU A 106 21.500 21.262 -18.897 1.00 0.00 N ATOM 1623 CA LEU A 106 22.272 20.039 -19.090 1.00 0.00 C ATOM 1624 C LEU A 106 22.781 19.938 -20.525 1.00 0.00 C ATOM 1625 O LEU A 106 23.813 19.319 -20.785 1.00 0.00 O ATOM 1626 CB LEU A 106 21.420 18.815 -18.752 1.00 0.00 C ATOM 1627 CG LEU A 106 21.452 18.356 -17.294 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.637 17.085 -17.116 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.887 18.140 -16.835 1.00 0.00 C ATOM 0 H LEU A 106 20.548 21.111 -18.564 1.00 0.00 H new ATOM 0 HA LEU A 106 23.131 20.071 -18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.386 19.032 -19.021 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.746 17.986 -19.380 1.00 0.00 H new ATOM 0 HG LEU A 106 21.007 19.137 -16.677 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.672 16.774 -16.072 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.603 17.273 -17.405 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.051 16.296 -17.744 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.891 17.814 -15.795 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.357 17.378 -17.456 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.442 19.074 -16.924 1.00 0.00 H new