USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=15 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 Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= -0.962 (180deg=-3.34!) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.127) USER MOD Single : A 55 MET CE :methyl -177:sc= -0.146 (180deg=-0.175) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.29) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 0.672 (180deg=0.416) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0311) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.242 F(o=-1.6,f=-0.24) USER MOD Single : A 83 MET CE :methyl -167:sc= -3.52! (180deg=-4.08!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.88) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc=-0.000608 USER MOD Single : A 100 ASN : amide:sc=-0.00931 K(o=-0.0093,f=-1.5) USER MOD Single : A 102 TYR OH : rot 15:sc= -0.564 USER MOD Single : A 105 HIS : no HD1:sc=-0.00803 X(o=-0.008,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 14.244 12.379 1.262 1.00 0.00 N ATOM 664 CA LEU A 47 14.486 13.810 1.406 1.00 0.00 C ATOM 665 C LEU A 47 14.824 14.444 0.060 1.00 0.00 C ATOM 666 O LEU A 47 14.252 15.467 -0.315 1.00 0.00 O ATOM 667 CB LEU A 47 15.624 14.058 2.398 1.00 0.00 C ATOM 668 CG LEU A 47 15.215 14.200 3.865 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.436 14.120 4.769 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.471 15.509 4.087 1.00 0.00 C ATOM 0 HA LEU A 47 13.574 14.270 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.335 13.236 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.150 14.965 2.098 1.00 0.00 H new ATOM 0 HG LEU A 47 14.546 13.377 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.126 14.223 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.929 13.158 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.129 14.922 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.188 15.593 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.117 16.345 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.575 15.528 3.467 1.00 0.00 H new ATOM 682 N GLU A 48 15.754 13.827 -0.662 1.00 0.00 N ATOM 683 CA GLU A 48 16.166 14.331 -1.967 1.00 0.00 C ATOM 684 C GLU A 48 14.962 14.817 -2.767 1.00 0.00 C ATOM 685 O GLU A 48 14.928 15.958 -3.228 1.00 0.00 O ATOM 686 CB GLU A 48 16.906 13.242 -2.748 1.00 0.00 C ATOM 687 CG GLU A 48 17.847 13.788 -3.808 1.00 0.00 C ATOM 688 CD GLU A 48 18.732 12.714 -4.411 1.00 0.00 C ATOM 689 OE1 GLU A 48 19.758 12.370 -3.786 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.399 12.217 -5.507 1.00 0.00 O ATOM 0 H GLU A 48 16.236 12.978 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 48 16.838 15.174 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.475 12.629 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.176 12.588 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.263 14.259 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.473 14.565 -3.368 1.00 0.00 H new ATOM 697 N LYS A 49 13.974 13.943 -2.929 1.00 0.00 N ATOM 698 CA LYS A 49 12.766 14.281 -3.672 1.00 0.00 C ATOM 699 C LYS A 49 12.151 15.576 -3.151 1.00 0.00 C ATOM 700 O LYS A 49 11.816 16.471 -3.926 1.00 0.00 O ATOM 701 CB LYS A 49 11.747 13.144 -3.574 1.00 0.00 C ATOM 702 CG LYS A 49 10.553 13.316 -4.497 1.00 0.00 C ATOM 703 CD LYS A 49 9.673 12.077 -4.508 1.00 0.00 C ATOM 704 CE LYS A 49 8.286 12.383 -5.052 1.00 0.00 C ATOM 705 NZ LYS A 49 7.423 13.042 -4.033 1.00 0.00 N ATOM 0 H LYS A 49 13.987 12.994 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 49 13.041 14.425 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.243 12.202 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.393 13.072 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.966 14.177 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.901 13.525 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.141 11.303 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.589 11.680 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.373 13.028 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.814 11.458 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.487 13.234 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.319 12.416 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.860 13.937 -3.734 1.00 0.00 H new ATOM 719 N ALA A 50 12.007 15.669 -1.833 1.00 0.00 N ATOM 720 CA ALA A 50 11.436 16.856 -1.209 1.00 0.00 C ATOM 721 C ALA A 50 12.235 18.104 -1.569 1.00 0.00 C ATOM 722 O ALA A 50 11.664 19.154 -1.865 1.00 0.00 O ATOM 723 CB ALA A 50 11.378 16.682 0.301 1.00 0.00 C ATOM 0 H ALA A 50 12.278 14.936 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 50 10.422 16.984 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.949 17.576 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.758 15.819 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.385 16.526 0.688 1.00 0.00 H new ATOM 729 N ALA A 51 13.558 17.983 -1.540 1.00 0.00 N ATOM 730 CA ALA A 51 14.435 19.101 -1.865 1.00 0.00 C ATOM 731 C ALA A 51 14.118 19.664 -3.246 1.00 0.00 C ATOM 732 O ALA A 51 13.943 20.872 -3.411 1.00 0.00 O ATOM 733 CB ALA A 51 15.892 18.668 -1.791 1.00 0.00 C ATOM 0 H ALA A 51 14.046 17.122 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 51 14.264 19.890 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.536 19.513 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.118 18.321 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.068 17.860 -2.501 1.00 0.00 H new ATOM 739 N VAL A 52 14.045 18.782 -4.238 1.00 0.00 N ATOM 740 CA VAL A 52 13.749 19.191 -5.605 1.00 0.00 C ATOM 741 C VAL A 52 12.431 19.953 -5.678 1.00 0.00 C ATOM 742 O VAL A 52 12.327 20.973 -6.359 1.00 0.00 O ATOM 743 CB VAL A 52 13.680 17.978 -6.552 1.00 0.00 C ATOM 744 CG1 VAL A 52 13.446 18.431 -7.985 1.00 0.00 C ATOM 745 CG2 VAL A 52 14.951 17.148 -6.447 1.00 0.00 C ATOM 0 H VAL A 52 14.187 17.779 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 52 14.562 19.845 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 52 12.839 17.353 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.400 17.560 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.506 18.979 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.264 19.079 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.885 16.295 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.810 17.762 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.070 16.792 -5.424 1.00 0.00 H new ATOM 755 N LYS A 53 11.424 19.452 -4.969 1.00 0.00 N ATOM 756 CA LYS A 53 10.111 20.086 -4.950 1.00 0.00 C ATOM 757 C LYS A 53 10.201 21.506 -4.401 1.00 0.00 C ATOM 758 O LYS A 53 9.504 22.408 -4.867 1.00 0.00 O ATOM 759 CB LYS A 53 9.137 19.261 -4.107 1.00 0.00 C ATOM 760 CG LYS A 53 8.390 18.203 -4.900 1.00 0.00 C ATOM 761 CD LYS A 53 7.402 18.828 -5.871 1.00 0.00 C ATOM 762 CE LYS A 53 6.407 17.802 -6.392 1.00 0.00 C ATOM 763 NZ LYS A 53 7.090 16.641 -7.028 1.00 0.00 N ATOM 0 H LYS A 53 11.493 18.608 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 53 9.743 20.135 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.688 18.777 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.415 19.932 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.103 17.588 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.860 17.541 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.866 19.637 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.943 19.270 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.783 17.451 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.744 18.275 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.707 16.494 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.111 16.830 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.929 15.788 -6.456 1.00 0.00 H new ATOM 777 N LYS A 54 11.063 21.698 -3.408 1.00 0.00 N ATOM 778 CA LYS A 54 11.246 23.009 -2.797 1.00 0.00 C ATOM 779 C LYS A 54 11.810 24.005 -3.804 1.00 0.00 C ATOM 780 O LYS A 54 11.299 25.116 -3.945 1.00 0.00 O ATOM 781 CB LYS A 54 12.179 22.905 -1.588 1.00 0.00 C ATOM 782 CG LYS A 54 12.640 24.251 -1.058 1.00 0.00 C ATOM 783 CD LYS A 54 11.608 24.867 -0.127 1.00 0.00 C ATOM 784 CE LYS A 54 12.093 26.189 0.446 1.00 0.00 C ATOM 785 NZ LYS A 54 13.247 26.004 1.369 1.00 0.00 N ATOM 0 H LYS A 54 11.646 20.962 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 54 10.271 23.367 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.668 22.366 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.052 22.314 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.584 24.130 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.828 24.927 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.676 25.024 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.391 24.175 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.382 26.853 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.276 26.675 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.429 26.892 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.028 25.251 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.091 25.740 0.821 1.00 0.00 H new ATOM 799 N MET A 55 12.866 23.600 -4.502 1.00 0.00 N ATOM 800 CA MET A 55 13.497 24.458 -5.499 1.00 0.00 C ATOM 801 C MET A 55 12.473 24.961 -6.511 1.00 0.00 C ATOM 802 O MET A 55 12.267 26.166 -6.652 1.00 0.00 O ATOM 803 CB MET A 55 14.614 23.701 -6.220 1.00 0.00 C ATOM 804 CG MET A 55 15.505 22.897 -5.286 1.00 0.00 C ATOM 805 SD MET A 55 17.097 22.486 -6.027 1.00 0.00 S ATOM 806 CE MET A 55 18.221 23.198 -4.828 1.00 0.00 C ATOM 0 H MET A 55 13.303 22.684 -4.396 1.00 0.00 H new ATOM 0 HA MET A 55 13.924 25.318 -4.983 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.171 23.028 -6.954 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.228 24.414 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.671 23.465 -4.370 1.00 0.00 H new ATOM 0 HG3 MET A 55 14.992 21.978 -5.003 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.248 23.073 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.004 24.260 -4.712 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.096 22.695 -3.869 1.00 0.00 H new ATOM 816 N ALA A 56 11.834 24.030 -7.213 1.00 0.00 N ATOM 817 CA ALA A 56 10.831 24.380 -8.210 1.00 0.00 C ATOM 818 C ALA A 56 9.833 25.390 -7.653 1.00 0.00 C ATOM 819 O ALA A 56 9.593 26.438 -8.255 1.00 0.00 O ATOM 820 CB ALA A 56 10.107 23.131 -8.691 1.00 0.00 C ATOM 0 H ALA A 56 11.994 23.028 -7.109 1.00 0.00 H new ATOM 0 HA ALA A 56 11.341 24.840 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.360 23.407 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.826 22.442 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.616 22.647 -7.847 1.00 0.00 H new ATOM 826 N LYS A 57 9.252 25.069 -6.502 1.00 0.00 N ATOM 827 CA LYS A 57 8.281 25.948 -5.863 1.00 0.00 C ATOM 828 C LYS A 57 8.795 27.383 -5.813 1.00 0.00 C ATOM 829 O LYS A 57 8.125 28.309 -6.269 1.00 0.00 O ATOM 830 CB LYS A 57 7.970 25.457 -4.448 1.00 0.00 C ATOM 831 CG LYS A 57 7.000 24.289 -4.408 1.00 0.00 C ATOM 832 CD LYS A 57 6.288 24.201 -3.069 1.00 0.00 C ATOM 833 CE LYS A 57 5.041 25.072 -3.042 1.00 0.00 C ATOM 834 NZ LYS A 57 4.168 24.755 -1.878 1.00 0.00 N ATOM 0 H LYS A 57 9.437 24.205 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 57 7.367 25.929 -6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.900 25.162 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.556 26.282 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.265 24.398 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.539 23.361 -4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.014 23.165 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.966 24.510 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.332 26.122 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.480 24.931 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.329 25.370 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.869 23.760 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.695 24.913 -0.996 1.00 0.00 H new ATOM 848 N ALA A 58 9.990 27.560 -5.257 1.00 0.00 N ATOM 849 CA ALA A 58 10.595 28.881 -5.151 1.00 0.00 C ATOM 850 C ALA A 58 10.667 29.563 -6.513 1.00 0.00 C ATOM 851 O ALA A 58 10.395 30.758 -6.635 1.00 0.00 O ATOM 852 CB ALA A 58 11.983 28.778 -4.536 1.00 0.00 C ATOM 0 H ALA A 58 10.557 26.804 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 58 9.966 29.490 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.423 29.772 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.908 28.340 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.613 28.148 -5.163 1.00 0.00 H new ATOM 858 N ILE A 59 11.035 28.797 -7.535 1.00 0.00 N ATOM 859 CA ILE A 59 11.143 29.328 -8.888 1.00 0.00 C ATOM 860 C ILE A 59 9.810 29.897 -9.362 1.00 0.00 C ATOM 861 O ILE A 59 9.733 31.046 -9.796 1.00 0.00 O ATOM 862 CB ILE A 59 11.609 28.247 -9.881 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.057 27.847 -9.590 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.469 28.747 -11.311 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.498 26.600 -10.323 1.00 0.00 C ATOM 0 H ILE A 59 11.263 27.806 -7.451 1.00 0.00 H new ATOM 0 HA ILE A 59 11.886 30.125 -8.857 1.00 0.00 H new ATOM 0 HB ILE A 59 10.978 27.367 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.715 28.672 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.173 27.689 -8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.802 27.972 -12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.425 28.988 -11.512 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.079 29.640 -11.446 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.534 26.376 -10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.864 25.763 -10.031 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.414 26.761 -11.398 1.00 0.00 H new ATOM 877 N MET A 60 8.761 29.085 -9.275 1.00 0.00 N ATOM 878 CA MET A 60 7.430 29.509 -9.692 1.00 0.00 C ATOM 879 C MET A 60 7.131 30.922 -9.202 1.00 0.00 C ATOM 880 O MET A 60 6.418 31.680 -9.860 1.00 0.00 O ATOM 881 CB MET A 60 6.373 28.539 -9.163 1.00 0.00 C ATOM 882 CG MET A 60 6.417 27.171 -9.825 1.00 0.00 C ATOM 883 SD MET A 60 5.406 27.088 -11.316 1.00 0.00 S ATOM 884 CE MET A 60 5.191 25.317 -11.480 1.00 0.00 C ATOM 0 H MET A 60 8.807 28.130 -8.920 1.00 0.00 H new ATOM 0 HA MET A 60 7.401 29.508 -10.782 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.508 28.418 -8.088 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.385 28.974 -9.313 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.449 26.926 -10.076 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.074 26.417 -9.116 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.584 25.104 -12.360 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.166 24.841 -11.587 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.692 24.927 -10.593 1.00 0.00 H new ATOM 894 N ALA A 61 7.680 31.270 -8.043 1.00 0.00 N ATOM 895 CA ALA A 61 7.473 32.593 -7.466 1.00 0.00 C ATOM 896 C ALA A 61 8.395 33.623 -8.109 1.00 0.00 C ATOM 897 O ALA A 61 7.940 34.654 -8.606 1.00 0.00 O ATOM 898 CB ALA A 61 7.692 32.552 -5.961 1.00 0.00 C ATOM 0 H ALA A 61 8.272 30.654 -7.485 1.00 0.00 H new ATOM 0 HA ALA A 61 6.444 32.892 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.534 33.546 -5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.988 31.853 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.711 32.227 -5.750 1.00 0.00 H new ATOM 904 N ASP A 62 9.693 33.338 -8.097 1.00 0.00 N ATOM 905 CA ASP A 62 10.679 34.240 -8.680 1.00 0.00 C ATOM 906 C ASP A 62 11.508 33.525 -9.742 1.00 0.00 C ATOM 907 O ASP A 62 12.002 32.416 -9.537 1.00 0.00 O ATOM 908 CB ASP A 62 11.596 34.799 -7.591 1.00 0.00 C ATOM 909 CG ASP A 62 10.950 35.928 -6.813 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.821 37.037 -7.373 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.572 35.703 -5.644 1.00 0.00 O ATOM 0 H ASP A 62 10.086 32.489 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 62 10.146 35.064 -9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.869 33.998 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.519 35.157 -8.046 1.00 0.00 H new ATOM 916 N PRO A 63 11.664 34.173 -10.907 1.00 0.00 N ATOM 917 CA PRO A 63 12.432 33.617 -12.025 1.00 0.00 C ATOM 918 C PRO A 63 13.929 33.575 -11.736 1.00 0.00 C ATOM 919 O PRO A 63 14.614 32.620 -12.099 1.00 0.00 O ATOM 920 CB PRO A 63 12.137 34.585 -13.173 1.00 0.00 C ATOM 921 CG PRO A 63 11.790 35.871 -12.505 1.00 0.00 C ATOM 922 CD PRO A 63 11.103 35.498 -11.221 1.00 0.00 C ATOM 0 HA PRO A 63 12.154 32.585 -12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.002 34.699 -13.827 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.315 34.226 -13.792 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.684 36.464 -12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.137 36.475 -13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.309 36.219 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.020 35.458 -11.341 1.00 0.00 H new ATOM 930 N ASN A 64 14.430 34.616 -11.079 1.00 0.00 N ATOM 931 CA ASN A 64 15.846 34.696 -10.741 1.00 0.00 C ATOM 932 C ASN A 64 16.291 33.463 -9.960 1.00 0.00 C ATOM 933 O ASN A 64 17.473 33.120 -9.939 1.00 0.00 O ATOM 934 CB ASN A 64 16.126 35.959 -9.923 1.00 0.00 C ATOM 935 CG ASN A 64 15.578 37.209 -10.585 1.00 0.00 C ATOM 936 OD1 ASN A 64 15.638 37.356 -11.806 1.00 0.00 O ATOM 937 ND2 ASN A 64 15.039 38.117 -9.779 1.00 0.00 N ATOM 0 H ASN A 64 13.877 35.415 -10.770 1.00 0.00 H new ATOM 0 HA ASN A 64 16.413 34.739 -11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.684 35.852 -8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.202 36.067 -9.783 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.653 38.978 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.011 37.953 -8.773 1.00 0.00 H new ATOM 944 N LYS A 65 15.334 32.800 -9.318 1.00 0.00 N ATOM 945 CA LYS A 65 15.625 31.604 -8.536 1.00 0.00 C ATOM 946 C LYS A 65 15.999 30.438 -9.446 1.00 0.00 C ATOM 947 O LYS A 65 16.866 29.631 -9.111 1.00 0.00 O ATOM 948 CB LYS A 65 14.417 31.226 -7.676 1.00 0.00 C ATOM 949 CG LYS A 65 14.295 32.048 -6.405 1.00 0.00 C ATOM 950 CD LYS A 65 15.371 31.679 -5.397 1.00 0.00 C ATOM 951 CE LYS A 65 15.286 30.213 -5.003 1.00 0.00 C ATOM 952 NZ LYS A 65 15.900 29.960 -3.671 1.00 0.00 N ATOM 0 H LYS A 65 14.351 33.071 -9.324 1.00 0.00 H new ATOM 0 HA LYS A 65 16.472 31.822 -7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.509 31.348 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.486 30.171 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.370 33.108 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.311 31.891 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.354 31.887 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.268 32.302 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.242 29.901 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.788 29.605 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.822 28.949 -3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.903 30.233 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.405 30.520 -2.948 1.00 0.00 H new ATOM 966 N ALA A 66 15.341 30.356 -10.597 1.00 0.00 N ATOM 967 CA ALA A 66 15.607 29.291 -11.556 1.00 0.00 C ATOM 968 C ALA A 66 17.102 29.157 -11.826 1.00 0.00 C ATOM 969 O ALA A 66 17.678 28.081 -11.666 1.00 0.00 O ATOM 970 CB ALA A 66 14.855 29.548 -12.853 1.00 0.00 C ATOM 0 H ALA A 66 14.619 31.015 -10.888 1.00 0.00 H new ATOM 0 HA ALA A 66 15.256 28.353 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 66 15.063 28.745 -13.560 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.784 29.586 -12.652 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.178 30.498 -13.279 1.00 0.00 H new ATOM 976 N ASP A 67 17.725 30.256 -12.237 1.00 0.00 N ATOM 977 CA ASP A 67 19.153 30.262 -12.530 1.00 0.00 C ATOM 978 C ASP A 67 19.935 29.547 -11.432 1.00 0.00 C ATOM 979 O ASP A 67 20.675 28.601 -11.701 1.00 0.00 O ATOM 980 CB ASP A 67 19.659 31.697 -12.681 1.00 0.00 C ATOM 981 CG ASP A 67 21.123 31.837 -12.314 1.00 0.00 C ATOM 982 OD1 ASP A 67 21.974 31.292 -13.049 1.00 0.00 O ATOM 983 OD2 ASP A 67 21.419 32.490 -11.291 1.00 0.00 O ATOM 0 H ASP A 67 17.263 31.155 -12.375 1.00 0.00 H new ATOM 0 HA ASP A 67 19.309 29.730 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 67 19.513 32.024 -13.710 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.064 32.357 -12.049 1.00 0.00 H new ATOM 988 N GLU A 68 19.767 30.007 -10.197 1.00 0.00 N ATOM 989 CA GLU A 68 20.459 29.412 -9.060 1.00 0.00 C ATOM 990 C GLU A 68 20.193 27.911 -8.986 1.00 0.00 C ATOM 991 O GLU A 68 21.121 27.109 -8.878 1.00 0.00 O ATOM 992 CB GLU A 68 20.018 30.083 -7.757 1.00 0.00 C ATOM 993 CG GLU A 68 20.594 29.432 -6.511 1.00 0.00 C ATOM 994 CD GLU A 68 22.068 29.735 -6.324 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.391 30.838 -5.836 1.00 0.00 O ATOM 996 OE2 GLU A 68 22.899 28.867 -6.666 1.00 0.00 O ATOM 0 H GLU A 68 19.158 30.790 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 68 21.529 29.568 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.316 31.131 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.930 30.062 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.042 29.777 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.453 28.353 -6.571 1.00 0.00 H new ATOM 1003 N VAL A 69 18.919 27.538 -9.045 1.00 0.00 N ATOM 1004 CA VAL A 69 18.530 26.134 -8.985 1.00 0.00 C ATOM 1005 C VAL A 69 19.256 25.317 -10.048 1.00 0.00 C ATOM 1006 O VAL A 69 20.045 24.427 -9.730 1.00 0.00 O ATOM 1007 CB VAL A 69 17.010 25.964 -9.172 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.637 24.490 -9.197 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.254 26.695 -8.074 1.00 0.00 C ATOM 0 H VAL A 69 18.138 28.188 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 69 18.810 25.770 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 69 16.728 26.402 -10.129 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.560 24.389 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.152 23.998 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 69 16.932 24.024 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.182 26.564 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.539 26.289 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.498 27.757 -8.109 1.00 0.00 H new ATOM 1019 N TYR A 70 18.984 25.625 -11.311 1.00 0.00 N ATOM 1020 CA TYR A 70 19.610 24.918 -12.422 1.00 0.00 C ATOM 1021 C TYR A 70 21.066 24.587 -12.106 1.00 0.00 C ATOM 1022 O TYR A 70 21.503 23.447 -12.259 1.00 0.00 O ATOM 1023 CB TYR A 70 19.532 25.759 -13.698 1.00 0.00 C ATOM 1024 CG TYR A 70 18.117 26.053 -14.143 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.118 25.094 -14.028 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.780 27.290 -14.679 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.825 25.359 -14.434 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.488 27.563 -15.086 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.515 26.595 -14.962 1.00 0.00 C ATOM 1030 OH TYR A 70 14.227 26.863 -15.368 1.00 0.00 O ATOM 0 H TYR A 70 18.334 26.360 -11.591 1.00 0.00 H new ATOM 0 HA TYR A 70 19.069 23.984 -12.576 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.056 26.701 -13.535 1.00 0.00 H new ATOM 0 HB3 TYR A 70 20.055 25.238 -14.500 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.357 24.125 -13.614 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.540 28.050 -14.779 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.060 24.602 -14.339 1.00 0.00 H new ATOM 0 HE2 TYR A 70 16.242 28.530 -15.499 1.00 0.00 H new ATOM 0 HH TYR A 70 14.177 27.778 -15.715 1.00 0.00 H new ATOM 1040 N LYS A 71 21.812 25.594 -11.664 1.00 0.00 N ATOM 1041 CA LYS A 71 23.218 25.413 -11.324 1.00 0.00 C ATOM 1042 C LYS A 71 23.375 24.440 -10.159 1.00 0.00 C ATOM 1043 O LYS A 71 24.251 23.575 -10.173 1.00 0.00 O ATOM 1044 CB LYS A 71 23.856 26.758 -10.968 1.00 0.00 C ATOM 1045 CG LYS A 71 24.453 27.482 -12.162 1.00 0.00 C ATOM 1046 CD LYS A 71 23.432 28.384 -12.836 1.00 0.00 C ATOM 1047 CE LYS A 71 24.100 29.389 -13.761 1.00 0.00 C ATOM 1048 NZ LYS A 71 24.657 30.549 -13.010 1.00 0.00 N ATOM 0 H LYS A 71 21.466 26.544 -11.533 1.00 0.00 H new ATOM 0 HA LYS A 71 23.725 24.996 -12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.104 27.397 -10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.637 26.595 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.307 28.077 -11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.826 26.753 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.728 27.777 -13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.856 28.913 -12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 71 24.900 28.897 -14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.376 29.745 -14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 25.412 30.995 -13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.902 31.242 -12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.046 30.221 -12.103 1.00 0.00 H new ATOM 1062 N LYS A 72 22.521 24.587 -9.152 1.00 0.00 N ATOM 1063 CA LYS A 72 22.562 23.721 -7.980 1.00 0.00 C ATOM 1064 C LYS A 72 22.356 22.262 -8.375 1.00 0.00 C ATOM 1065 O LYS A 72 23.257 21.436 -8.225 1.00 0.00 O ATOM 1066 CB LYS A 72 21.492 24.143 -6.971 1.00 0.00 C ATOM 1067 CG LYS A 72 21.823 25.431 -6.237 1.00 0.00 C ATOM 1068 CD LYS A 72 21.114 25.506 -4.895 1.00 0.00 C ATOM 1069 CE LYS A 72 21.760 24.584 -3.872 1.00 0.00 C ATOM 1070 NZ LYS A 72 23.044 25.138 -3.358 1.00 0.00 N ATOM 0 H LYS A 72 21.791 25.299 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 72 23.545 23.820 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.542 24.265 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.356 23.344 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.900 25.497 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.535 26.285 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.136 26.532 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.066 25.235 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.073 24.427 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.941 23.609 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.401 24.533 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.742 25.169 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.886 26.100 -2.995 1.00 0.00 H new ATOM 1084 N TRP A 73 21.168 21.952 -8.881 1.00 0.00 N ATOM 1085 CA TRP A 73 20.846 20.593 -9.298 1.00 0.00 C ATOM 1086 C TRP A 73 22.041 19.934 -9.978 1.00 0.00 C ATOM 1087 O TRP A 73 22.654 19.021 -9.427 1.00 0.00 O ATOM 1088 CB TRP A 73 19.645 20.599 -10.245 1.00 0.00 C ATOM 1089 CG TRP A 73 18.327 20.662 -9.533 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.053 20.207 -8.275 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.105 21.210 -10.039 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.734 20.439 -7.969 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.131 21.054 -9.034 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.739 21.820 -11.242 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.817 21.484 -9.198 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.435 22.246 -11.404 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.486 22.078 -10.386 1.00 0.00 C ATOM 0 H TRP A 73 20.412 22.624 -9.012 1.00 0.00 H new ATOM 0 HA TRP A 73 20.595 20.017 -8.407 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.727 21.452 -10.919 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.674 19.701 -10.862 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.768 19.734 -7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.277 20.193 -7.091 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.463 21.956 -12.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.084 21.353 -8.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.142 22.717 -12.331 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.475 22.424 -10.542 1.00 0.00 H new ATOM 1108 N ALA A 74 22.367 20.404 -11.178 1.00 0.00 N ATOM 1109 CA ALA A 74 23.490 19.861 -11.931 1.00 0.00 C ATOM 1110 C ALA A 74 24.676 19.573 -11.017 1.00 0.00 C ATOM 1111 O ALA A 74 25.295 18.513 -11.103 1.00 0.00 O ATOM 1112 CB ALA A 74 23.896 20.822 -13.039 1.00 0.00 C ATOM 0 H ALA A 74 21.869 21.159 -11.649 1.00 0.00 H new ATOM 0 HA ALA A 74 23.174 18.919 -12.379 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.736 20.404 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.055 20.974 -13.715 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.189 21.777 -12.603 1.00 0.00 H new ATOM 1118 N ASP A 75 24.988 20.524 -10.143 1.00 0.00 N ATOM 1119 CA ASP A 75 26.100 20.372 -9.212 1.00 0.00 C ATOM 1120 C ASP A 75 25.896 19.155 -8.316 1.00 0.00 C ATOM 1121 O ASP A 75 26.837 18.411 -8.037 1.00 0.00 O ATOM 1122 CB ASP A 75 26.253 21.631 -8.357 1.00 0.00 C ATOM 1123 CG ASP A 75 27.654 21.785 -7.797 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.046 20.959 -6.947 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.357 22.731 -8.209 1.00 0.00 O ATOM 0 H ASP A 75 24.486 21.408 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 75 27.010 20.224 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.007 22.507 -8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.538 21.597 -7.535 1.00 0.00 H new ATOM 1130 N LYS A 76 24.662 18.958 -7.866 1.00 0.00 N ATOM 1131 CA LYS A 76 24.332 17.832 -7.000 1.00 0.00 C ATOM 1132 C LYS A 76 24.539 16.508 -7.729 1.00 0.00 C ATOM 1133 O LYS A 76 24.998 15.529 -7.141 1.00 0.00 O ATOM 1134 CB LYS A 76 22.885 17.940 -6.517 1.00 0.00 C ATOM 1135 CG LYS A 76 22.573 19.251 -5.816 1.00 0.00 C ATOM 1136 CD LYS A 76 23.217 19.315 -4.441 1.00 0.00 C ATOM 1137 CE LYS A 76 22.556 18.347 -3.471 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.095 18.492 -2.090 1.00 0.00 N ATOM 0 H LYS A 76 23.872 19.565 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 76 24.998 17.861 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.217 17.826 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.676 17.115 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 76 22.928 20.083 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.493 19.365 -5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.278 19.081 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.144 20.330 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.480 18.521 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.711 17.325 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.620 17.816 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 24.117 18.302 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.925 19.460 -1.751 1.00 0.00 H new ATOM 1152 N GLY A 77 24.198 16.485 -9.014 1.00 0.00 N ATOM 1153 CA GLY A 77 24.355 15.276 -9.802 1.00 0.00 C ATOM 1154 C GLY A 77 23.026 14.649 -10.172 1.00 0.00 C ATOM 1155 O GLY A 77 22.842 13.440 -10.034 1.00 0.00 O ATOM 0 H GLY A 77 23.816 17.282 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.909 15.508 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.950 14.555 -9.241 1.00 0.00 H new ATOM 1159 N TYR A 78 22.096 15.473 -10.643 1.00 0.00 N ATOM 1160 CA TYR A 78 20.775 14.992 -11.030 1.00 0.00 C ATOM 1161 C TYR A 78 20.697 14.767 -12.537 1.00 0.00 C ATOM 1162 O TYR A 78 21.550 15.236 -13.292 1.00 0.00 O ATOM 1163 CB TYR A 78 19.699 15.990 -10.597 1.00 0.00 C ATOM 1164 CG TYR A 78 19.517 16.071 -9.098 1.00 0.00 C ATOM 1165 CD1 TYR A 78 18.958 15.015 -8.388 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.904 17.203 -8.391 1.00 0.00 C ATOM 1167 CE1 TYR A 78 18.789 15.084 -7.019 1.00 0.00 C ATOM 1168 CE2 TYR A 78 19.740 17.280 -7.022 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.182 16.219 -6.340 1.00 0.00 C ATOM 1170 OH TYR A 78 19.016 16.293 -4.976 1.00 0.00 O ATOM 0 H TYR A 78 22.233 16.476 -10.766 1.00 0.00 H new ATOM 0 HA TYR A 78 20.602 14.040 -10.529 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.958 16.978 -10.977 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.750 15.710 -11.055 1.00 0.00 H new ATOM 0 HD1 TYR A 78 18.650 14.125 -8.916 1.00 0.00 H new ATOM 0 HD2 TYR A 78 20.340 18.037 -8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 78 18.352 14.254 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 78 20.047 18.167 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 78 19.345 17.158 -4.653 1.00 0.00 H new ATOM 1180 N THR A 79 19.668 14.046 -12.969 1.00 0.00 N ATOM 1181 CA THR A 79 19.477 13.756 -14.385 1.00 0.00 C ATOM 1182 C THR A 79 17.998 13.602 -14.720 1.00 0.00 C ATOM 1183 O THR A 79 17.198 13.201 -13.874 1.00 0.00 O ATOM 1184 CB THR A 79 20.223 12.475 -14.802 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.949 11.423 -13.869 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.723 12.720 -14.870 1.00 0.00 C ATOM 0 H THR A 79 18.953 13.651 -12.358 1.00 0.00 H new ATOM 0 HA THR A 79 19.886 14.601 -14.939 1.00 0.00 H new ATOM 0 HB THR A 79 19.873 12.183 -15.792 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.426 10.611 -14.142 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.229 11.801 -15.166 1.00 0.00 H new ATOM 0 HG22 THR A 79 21.931 13.501 -15.601 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.085 13.034 -13.891 1.00 0.00 H new ATOM 1194 N LEU A 80 17.641 13.921 -15.959 1.00 0.00 N ATOM 1195 CA LEU A 80 16.257 13.817 -16.407 1.00 0.00 C ATOM 1196 C LEU A 80 15.584 12.582 -15.815 1.00 0.00 C ATOM 1197 O LEU A 80 14.407 12.616 -15.454 1.00 0.00 O ATOM 1198 CB LEU A 80 16.197 13.760 -17.935 1.00 0.00 C ATOM 1199 CG LEU A 80 16.970 14.851 -18.677 1.00 0.00 C ATOM 1200 CD1 LEU A 80 16.826 14.677 -20.181 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.491 16.230 -18.249 1.00 0.00 C ATOM 0 H LEU A 80 18.291 14.254 -16.671 1.00 0.00 H new ATOM 0 HA LEU A 80 15.722 14.701 -16.061 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.576 12.790 -18.258 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.152 13.811 -18.240 1.00 0.00 H new ATOM 0 HG LEU A 80 18.026 14.760 -18.421 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.382 15.462 -20.693 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.219 13.703 -20.474 1.00 0.00 H new ATOM 0 HD13 LEU A 80 15.773 14.741 -20.455 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.052 16.994 -18.787 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.430 16.333 -18.475 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.647 16.353 -17.177 1.00 0.00 H new ATOM 1213 N THR A 81 16.340 11.493 -15.715 1.00 0.00 N ATOM 1214 CA THR A 81 15.818 10.249 -15.165 1.00 0.00 C ATOM 1215 C THR A 81 15.341 10.439 -13.730 1.00 0.00 C ATOM 1216 O THR A 81 14.223 10.058 -13.383 1.00 0.00 O ATOM 1217 CB THR A 81 16.878 9.132 -15.198 1.00 0.00 C ATOM 1218 OG1 THR A 81 17.321 8.916 -16.543 1.00 0.00 O ATOM 1219 CG2 THR A 81 16.318 7.837 -14.629 1.00 0.00 C ATOM 0 H THR A 81 17.316 11.448 -16.008 1.00 0.00 H new ATOM 0 HA THR A 81 14.974 9.957 -15.790 1.00 0.00 H new ATOM 0 HB THR A 81 17.722 9.445 -14.584 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.996 8.206 -16.555 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.085 7.063 -14.663 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.009 7.997 -13.596 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.458 7.522 -15.220 1.00 0.00 H new ATOM 1227 N GLN A 82 16.195 11.030 -12.901 1.00 0.00 N ATOM 1228 CA GLN A 82 15.859 11.270 -11.503 1.00 0.00 C ATOM 1229 C GLN A 82 14.969 12.501 -11.360 1.00 0.00 C ATOM 1230 O GLN A 82 13.858 12.418 -10.838 1.00 0.00 O ATOM 1231 CB GLN A 82 17.132 11.448 -10.674 1.00 0.00 C ATOM 1232 CG GLN A 82 18.071 10.254 -10.738 1.00 0.00 C ATOM 1233 CD GLN A 82 17.444 8.987 -10.191 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.598 8.352 -10.994 1.00 0.00 O flip ATOM 1235 NE2 GLN A 82 17.716 8.584 -9.060 1.00 0.00 N flip ATOM 0 H GLN A 82 17.124 11.351 -13.173 1.00 0.00 H new ATOM 0 HA GLN A 82 15.311 10.403 -11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.661 12.335 -11.022 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.857 11.628 -9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.372 10.088 -11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.977 10.479 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.372 9.104 -8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.285 7.730 -8.706 1.00 0.00 H new ATOM 1244 N MET A 83 15.466 13.641 -11.827 1.00 0.00 N ATOM 1245 CA MET A 83 14.715 14.889 -11.752 1.00 0.00 C ATOM 1246 C MET A 83 13.227 14.642 -11.977 1.00 0.00 C ATOM 1247 O MET A 83 12.410 14.863 -11.083 1.00 0.00 O ATOM 1248 CB MET A 83 15.240 15.888 -12.785 1.00 0.00 C ATOM 1249 CG MET A 83 14.506 17.219 -12.772 1.00 0.00 C ATOM 1250 SD MET A 83 14.686 18.096 -11.207 1.00 0.00 S ATOM 1251 CE MET A 83 16.454 17.971 -10.950 1.00 0.00 C ATOM 0 H MET A 83 16.385 13.727 -12.261 1.00 0.00 H new ATOM 0 HA MET A 83 14.849 15.305 -10.754 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.300 16.065 -12.601 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.158 15.447 -13.779 1.00 0.00 H new ATOM 0 HG2 MET A 83 14.883 17.845 -13.580 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.448 17.048 -12.968 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.694 18.257 -9.926 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.775 16.944 -11.125 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.970 18.636 -11.642 1.00 0.00 H new ATOM 1261 N SER A 84 12.882 14.184 -13.176 1.00 0.00 N ATOM 1262 CA SER A 84 11.491 13.911 -13.519 1.00 0.00 C ATOM 1263 C SER A 84 10.857 12.963 -12.505 1.00 0.00 C ATOM 1264 O SER A 84 9.698 13.126 -12.127 1.00 0.00 O ATOM 1265 CB SER A 84 11.399 13.310 -14.923 1.00 0.00 C ATOM 1266 OG SER A 84 10.050 13.084 -15.293 1.00 0.00 O ATOM 0 H SER A 84 13.546 13.994 -13.926 1.00 0.00 H new ATOM 0 HA SER A 84 10.945 14.854 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.869 13.982 -15.641 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.951 12.371 -14.957 1.00 0.00 H new ATOM 0 HG SER A 84 10.018 12.701 -16.195 1.00 0.00 H new ATOM 1272 N ASN A 85 11.628 11.972 -12.068 1.00 0.00 N ATOM 1273 CA ASN A 85 11.143 10.997 -11.098 1.00 0.00 C ATOM 1274 C ASN A 85 10.822 11.669 -9.766 1.00 0.00 C ATOM 1275 O ASN A 85 10.121 11.103 -8.926 1.00 0.00 O ATOM 1276 CB ASN A 85 12.182 9.894 -10.889 1.00 0.00 C ATOM 1277 CG ASN A 85 11.998 8.737 -11.852 1.00 0.00 C ATOM 1278 OD1 ASN A 85 11.369 8.882 -12.901 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.549 7.581 -11.500 1.00 0.00 N ATOM 0 H ASN A 85 12.591 11.823 -12.370 1.00 0.00 H new ATOM 0 HA ASN A 85 10.228 10.554 -11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.181 10.311 -11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.116 9.525 -9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.460 6.767 -12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.061 7.507 -10.621 1.00 0.00 H new ATOM 1286 N PHE A 86 11.340 12.878 -9.579 1.00 0.00 N ATOM 1287 CA PHE A 86 11.110 13.627 -8.349 1.00 0.00 C ATOM 1288 C PHE A 86 9.937 14.589 -8.510 1.00 0.00 C ATOM 1289 O PHE A 86 9.117 14.744 -7.604 1.00 0.00 O ATOM 1290 CB PHE A 86 12.369 14.402 -7.956 1.00 0.00 C ATOM 1291 CG PHE A 86 13.529 13.518 -7.595 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.356 12.442 -6.739 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.791 13.763 -8.111 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.421 11.626 -6.405 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.859 12.950 -7.781 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.674 11.882 -6.926 1.00 0.00 C ATOM 0 H PHE A 86 11.922 13.360 -10.264 1.00 0.00 H new ATOM 0 HA PHE A 86 10.868 12.915 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.660 15.050 -8.783 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.138 15.049 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.378 12.239 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.942 14.598 -8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.273 10.790 -5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.838 13.150 -8.192 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.508 11.248 -6.665 1.00 0.00 H new ATOM 1306 N LEU A 87 9.863 15.234 -9.669 1.00 0.00 N ATOM 1307 CA LEU A 87 8.790 16.182 -9.950 1.00 0.00 C ATOM 1308 C LEU A 87 7.548 15.463 -10.466 1.00 0.00 C ATOM 1309 O LEU A 87 6.695 16.064 -11.119 1.00 0.00 O ATOM 1310 CB LEU A 87 9.255 17.219 -10.974 1.00 0.00 C ATOM 1311 CG LEU A 87 10.389 18.143 -10.526 1.00 0.00 C ATOM 1312 CD1 LEU A 87 10.946 18.917 -11.711 1.00 0.00 C ATOM 1313 CD2 LEU A 87 9.904 19.096 -9.444 1.00 0.00 C ATOM 0 H LEU A 87 10.533 15.118 -10.429 1.00 0.00 H new ATOM 0 HA LEU A 87 8.533 16.688 -9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.575 16.694 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.400 17.835 -11.252 1.00 0.00 H new ATOM 0 HG LEU A 87 11.189 17.530 -10.110 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.752 19.569 -11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.332 18.218 -12.453 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.154 19.519 -12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.724 19.746 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.086 19.703 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.554 18.523 -8.585 1.00 0.00 H new ATOM 1325 N LYS A 88 7.452 14.172 -10.167 1.00 0.00 N ATOM 1326 CA LYS A 88 6.313 13.369 -10.597 1.00 0.00 C ATOM 1327 C LYS A 88 5.037 13.810 -9.887 1.00 0.00 C ATOM 1328 O LYS A 88 4.554 13.132 -8.981 1.00 0.00 O ATOM 1329 CB LYS A 88 6.575 11.887 -10.324 1.00 0.00 C ATOM 1330 CG LYS A 88 7.028 11.601 -8.902 1.00 0.00 C ATOM 1331 CD LYS A 88 6.883 10.129 -8.556 1.00 0.00 C ATOM 1332 CE LYS A 88 5.470 9.800 -8.100 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.131 8.369 -8.335 1.00 0.00 N ATOM 0 H LYS A 88 8.150 13.659 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 88 6.181 13.517 -11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.665 11.322 -10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.335 11.527 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.069 11.903 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.441 12.199 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.136 9.523 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.590 9.868 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.368 10.028 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.760 10.434 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.160 8.185 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.203 8.157 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.793 7.764 -7.808 1.00 0.00 H new ATOM 1433 N TYR A 95 5.113 21.208 -13.568 1.00 0.00 N ATOM 1434 CA TYR A 95 6.451 21.771 -13.428 1.00 0.00 C ATOM 1435 C TYR A 95 7.184 21.772 -14.766 1.00 0.00 C ATOM 1436 O TYR A 95 8.373 21.458 -14.835 1.00 0.00 O ATOM 1437 CB TYR A 95 7.254 20.979 -12.394 1.00 0.00 C ATOM 1438 CG TYR A 95 6.774 21.176 -10.974 1.00 0.00 C ATOM 1439 CD1 TYR A 95 7.128 22.308 -10.251 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.966 20.230 -10.356 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.692 22.492 -8.953 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.524 20.406 -9.059 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.890 21.538 -8.361 1.00 0.00 C ATOM 1444 OH TYR A 95 5.453 21.717 -7.069 1.00 0.00 O ATOM 0 HA TYR A 95 6.351 22.802 -13.089 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.204 19.919 -12.642 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.302 21.272 -12.458 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.755 23.057 -10.711 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.678 19.342 -10.899 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.977 23.378 -8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.895 19.661 -8.594 1.00 0.00 H new ATOM 0 HH TYR A 95 4.897 20.955 -6.803 1.00 0.00 H new ATOM 1454 N ASP A 96 6.467 22.128 -15.826 1.00 0.00 N ATOM 1455 CA ASP A 96 7.048 22.173 -17.162 1.00 0.00 C ATOM 1456 C ASP A 96 8.014 23.346 -17.296 1.00 0.00 C ATOM 1457 O ASP A 96 9.064 23.230 -17.928 1.00 0.00 O ATOM 1458 CB ASP A 96 5.946 22.281 -18.217 1.00 0.00 C ATOM 1459 CG ASP A 96 5.425 20.924 -18.651 1.00 0.00 C ATOM 1460 OD1 ASP A 96 5.350 20.017 -17.796 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.094 20.770 -19.845 1.00 0.00 O ATOM 0 H ASP A 96 5.482 22.390 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 96 7.603 21.249 -17.321 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.122 22.873 -17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.330 22.815 -19.086 1.00 0.00 H new ATOM 1466 N ARG A 97 7.651 24.476 -16.698 1.00 0.00 N ATOM 1467 CA ARG A 97 8.484 25.671 -16.752 1.00 0.00 C ATOM 1468 C ARG A 97 9.798 25.452 -16.009 1.00 0.00 C ATOM 1469 O ARG A 97 10.847 25.951 -16.419 1.00 0.00 O ATOM 1470 CB ARG A 97 7.740 26.865 -16.152 1.00 0.00 C ATOM 1471 CG ARG A 97 6.855 27.595 -17.150 1.00 0.00 C ATOM 1472 CD ARG A 97 5.540 26.862 -17.368 1.00 0.00 C ATOM 1473 NE ARG A 97 4.601 27.648 -18.163 1.00 0.00 N ATOM 1474 CZ ARG A 97 3.477 27.156 -18.673 1.00 0.00 C ATOM 1475 NH1 ARG A 97 3.154 25.886 -18.470 1.00 0.00 N ATOM 1476 NH2 ARG A 97 2.673 27.934 -19.386 1.00 0.00 N ATOM 0 H ARG A 97 6.785 24.589 -16.170 1.00 0.00 H new ATOM 0 HA ARG A 97 8.708 25.880 -17.798 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.127 26.519 -15.320 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.467 27.567 -15.742 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.655 28.604 -16.791 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.380 27.693 -18.100 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.733 25.913 -17.868 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.091 26.628 -16.403 1.00 0.00 H new ATOM 0 HE ARG A 97 4.820 28.629 -18.337 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.769 25.285 -17.921 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.291 25.510 -18.862 1.00 0.00 H new ATOM 0 HH21 ARG A 97 2.917 28.912 -19.544 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.811 27.554 -19.777 1.00 0.00 H new ATOM 1490 N VAL A 98 9.734 24.703 -14.912 1.00 0.00 N ATOM 1491 CA VAL A 98 10.919 24.417 -14.112 1.00 0.00 C ATOM 1492 C VAL A 98 11.743 23.294 -14.731 1.00 0.00 C ATOM 1493 O VAL A 98 12.971 23.372 -14.792 1.00 0.00 O ATOM 1494 CB VAL A 98 10.541 24.026 -12.670 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.788 23.710 -11.859 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.734 25.135 -12.012 1.00 0.00 C ATOM 0 H VAL A 98 8.874 24.284 -14.557 1.00 0.00 H new ATOM 0 HA VAL A 98 11.514 25.330 -14.090 1.00 0.00 H new ATOM 0 HB VAL A 98 9.922 23.129 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.502 23.436 -10.844 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.322 22.880 -12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.435 24.587 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.476 24.842 -10.994 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.326 26.050 -11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.822 25.309 -12.582 1.00 0.00 H new ATOM 1506 N TYR A 99 11.061 22.251 -15.191 1.00 0.00 N ATOM 1507 CA TYR A 99 11.731 21.111 -15.805 1.00 0.00 C ATOM 1508 C TYR A 99 12.440 21.523 -17.091 1.00 0.00 C ATOM 1509 O TYR A 99 13.644 21.319 -17.242 1.00 0.00 O ATOM 1510 CB TYR A 99 10.722 19.999 -16.099 1.00 0.00 C ATOM 1511 CG TYR A 99 11.346 18.758 -16.697 1.00 0.00 C ATOM 1512 CD1 TYR A 99 11.959 17.807 -15.890 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.325 18.537 -18.069 1.00 0.00 C ATOM 1514 CE1 TYR A 99 12.531 16.672 -16.432 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.893 17.405 -18.619 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.495 16.476 -17.796 1.00 0.00 C ATOM 1517 OH TYR A 99 13.064 15.347 -18.341 1.00 0.00 O ATOM 0 H TYR A 99 10.045 22.171 -15.150 1.00 0.00 H new ATOM 0 HA TYR A 99 12.478 20.739 -15.104 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.211 19.729 -15.174 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.963 20.380 -16.783 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.989 17.958 -14.821 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.856 19.263 -18.716 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.004 15.943 -15.791 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.866 17.248 -19.687 1.00 0.00 H new ATOM 0 HH TYR A 99 12.952 15.361 -19.314 1.00 0.00 H new ATOM 1527 N ASN A 100 11.684 22.106 -18.015 1.00 0.00 N ATOM 1528 CA ASN A 100 12.239 22.548 -19.289 1.00 0.00 C ATOM 1529 C ASN A 100 13.588 23.231 -19.088 1.00 0.00 C ATOM 1530 O ASN A 100 14.620 22.734 -19.535 1.00 0.00 O ATOM 1531 CB ASN A 100 11.269 23.504 -19.987 1.00 0.00 C ATOM 1532 CG ASN A 100 11.512 23.584 -21.482 1.00 0.00 C ATOM 1533 OD1 ASN A 100 12.439 22.966 -22.006 1.00 0.00 O ATOM 1534 ND2 ASN A 100 10.677 24.349 -22.177 1.00 0.00 N ATOM 0 H ASN A 100 10.686 22.283 -17.906 1.00 0.00 H new ATOM 0 HA ASN A 100 12.388 21.669 -19.916 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.246 23.176 -19.805 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.367 24.499 -19.552 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.791 24.442 -23.186 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.922 24.843 -21.701 1.00 0.00 H new ATOM 1541 N GLY A 101 13.570 24.375 -18.410 1.00 0.00 N ATOM 1542 CA GLY A 101 14.797 25.108 -18.160 1.00 0.00 C ATOM 1543 C GLY A 101 15.958 24.195 -17.817 1.00 0.00 C ATOM 1544 O GLY A 101 17.040 24.312 -18.394 1.00 0.00 O ATOM 0 H GLY A 101 12.728 24.807 -18.030 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.050 25.698 -19.041 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.637 25.810 -17.342 1.00 0.00 H new ATOM 1548 N TYR A 102 15.735 23.286 -16.875 1.00 0.00 N ATOM 1549 CA TYR A 102 16.773 22.353 -16.452 1.00 0.00 C ATOM 1550 C TYR A 102 17.337 21.589 -17.647 1.00 0.00 C ATOM 1551 O TYR A 102 18.552 21.511 -17.831 1.00 0.00 O ATOM 1552 CB TYR A 102 16.215 21.370 -15.422 1.00 0.00 C ATOM 1553 CG TYR A 102 17.276 20.518 -14.762 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.469 21.077 -14.322 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.085 19.154 -14.579 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.442 20.302 -13.720 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.051 18.372 -13.976 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.228 18.950 -13.548 1.00 0.00 C ATOM 1559 OH TYR A 102 20.193 18.174 -12.949 1.00 0.00 O ATOM 0 H TYR A 102 14.845 23.175 -16.390 1.00 0.00 H new ATOM 0 HA TYR A 102 17.580 22.927 -15.996 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.678 21.927 -14.654 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.489 20.719 -15.909 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.639 22.135 -14.453 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.165 18.697 -14.914 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.365 20.752 -13.386 1.00 0.00 H new ATOM 0 HE2 TYR A 102 17.885 17.313 -13.840 1.00 0.00 H new ATOM 0 HH TYR A 102 20.844 18.752 -12.499 1.00 0.00 H new ATOM 1569 N VAL A 103 16.445 21.027 -18.456 1.00 0.00 N ATOM 1570 CA VAL A 103 16.852 20.270 -19.634 1.00 0.00 C ATOM 1571 C VAL A 103 17.948 20.998 -20.404 1.00 0.00 C ATOM 1572 O VAL A 103 19.018 20.443 -20.654 1.00 0.00 O ATOM 1573 CB VAL A 103 15.660 20.016 -20.577 1.00 0.00 C ATOM 1574 CG1 VAL A 103 16.115 19.274 -21.824 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.567 19.243 -19.856 1.00 0.00 C ATOM 0 H VAL A 103 15.436 21.081 -18.317 1.00 0.00 H new ATOM 0 HA VAL A 103 17.236 19.314 -19.279 1.00 0.00 H new ATOM 0 HB VAL A 103 15.251 20.978 -20.885 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.260 19.103 -22.478 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.861 19.870 -22.350 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.551 18.316 -21.539 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.733 19.072 -20.536 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.962 18.285 -19.518 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.222 19.817 -18.996 1.00 0.00 H new ATOM 1585 N ILE A 104 17.674 22.245 -20.775 1.00 0.00 N ATOM 1586 CA ILE A 104 18.638 23.050 -21.515 1.00 0.00 C ATOM 1587 C ILE A 104 19.970 23.129 -20.776 1.00 0.00 C ATOM 1588 O ILE A 104 21.022 22.821 -21.336 1.00 0.00 O ATOM 1589 CB ILE A 104 18.112 24.477 -21.757 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.863 24.440 -22.640 1.00 0.00 C ATOM 1591 CG2 ILE A 104 19.192 25.339 -22.392 1.00 0.00 C ATOM 1592 CD1 ILE A 104 16.032 25.702 -22.564 1.00 0.00 C ATOM 0 H ILE A 104 16.793 22.719 -20.575 1.00 0.00 H new ATOM 0 HA ILE A 104 18.787 22.559 -22.477 1.00 0.00 H new ATOM 0 HB ILE A 104 17.842 24.917 -20.797 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.164 24.274 -23.674 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.246 23.590 -22.348 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.805 26.345 -22.557 1.00 0.00 H new ATOM 0 HG22 ILE A 104 20.056 25.387 -21.729 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.490 24.904 -23.346 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.163 25.605 -23.215 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.701 25.858 -21.537 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.633 26.553 -22.885 1.00 0.00 H new ATOM 1604 N HIS A 105 19.916 23.544 -19.514 1.00 0.00 N ATOM 1605 CA HIS A 105 21.118 23.662 -18.696 1.00 0.00 C ATOM 1606 C HIS A 105 22.072 22.501 -18.962 1.00 0.00 C ATOM 1607 O HIS A 105 23.272 22.701 -19.155 1.00 0.00 O ATOM 1608 CB HIS A 105 20.749 23.705 -17.213 1.00 0.00 C ATOM 1609 CG HIS A 105 21.926 23.912 -16.309 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.420 25.159 -15.990 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.706 23.021 -15.653 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.454 25.027 -15.179 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.648 23.739 -14.959 1.00 0.00 N ATOM 0 H HIS A 105 19.053 23.804 -19.036 1.00 0.00 H new ATOM 0 HA HIS A 105 21.621 24.591 -18.964 1.00 0.00 H new ATOM 0 HB2 HIS A 105 20.030 24.507 -17.049 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.253 22.772 -16.943 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.606 21.946 -15.672 1.00 0.00 H new ATOM 0 HE1 HIS A 105 24.041 25.834 -14.766 1.00 0.00 H new ATOM 0 HE2 HIS A 105 24.379 23.342 -14.369 1.00 0.00 H new ATOM 1622 N LEU A 106 21.531 21.287 -18.968 1.00 0.00 N ATOM 1623 CA LEU A 106 22.334 20.093 -19.209 1.00 0.00 C ATOM 1624 C LEU A 106 23.061 20.187 -20.547 1.00 0.00 C ATOM 1625 O LEU A 106 24.215 19.776 -20.668 1.00 0.00 O ATOM 1626 CB LEU A 106 21.450 18.846 -19.183 1.00 0.00 C ATOM 1627 CG LEU A 106 21.234 18.205 -17.811 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.592 19.196 -16.854 1.00 0.00 C ATOM 1629 CD2 LEU A 106 20.381 16.951 -17.936 1.00 0.00 C ATOM 0 H LEU A 106 20.540 21.104 -18.809 1.00 0.00 H new ATOM 0 HA LEU A 106 23.078 20.020 -18.416 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.476 19.107 -19.597 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.889 18.100 -19.845 1.00 0.00 H new ATOM 0 HG LEU A 106 22.206 17.920 -17.408 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.446 18.722 -15.883 1.00 0.00 H new ATOM 0 HD12 LEU A 106 21.241 20.064 -16.740 1.00 0.00 H new ATOM 0 HD13 LEU A 106 19.628 19.513 -17.251 1.00 0.00 H new ATOM 0 HD21 LEU A 106 20.238 16.509 -16.950 1.00 0.00 H new ATOM 0 HD22 LEU A 106 19.412 17.211 -18.361 1.00 0.00 H new ATOM 0 HD23 LEU A 106 20.882 16.234 -18.586 1.00 0.00 H new