USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 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 103 HIS : no HD1:sc= 0.887 K(o=2,f=-3.4) USER MOD Set 1.2: A 110 SER OG : rot 146:sc= 1.1 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.465 USER MOD Set 2.2: A 57 MET CE :methyl -179:sc= -3.98! (180deg=-3.88!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 53:sc= 0.146 USER MOD Single : A 66 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.92) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.149 (180deg=-0.79) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -133:sc= -3.06! (180deg=-4.54!) USER MOD Single : A 79 GLN : amide:sc= -0.343 K(o=-0.34,f=-4.5!) USER MOD Single : A 81 MET CE :methyl -133:sc= -2.22 (180deg=-3.68!) USER MOD Single : A 82 HIS : no HE2:sc= -6.57! C(o=-6.6!,f=-11!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -138:sc= 0.311 (180deg=-1.17) USER MOD Single : A 90 THR OG1 : rot -90:sc= -3.22! USER MOD Single : A 92 MET CE :methyl 147:sc= -1.13 (180deg=-4.04!) USER MOD Single : A 98 ASN : amide:sc=-0.00799 K(o=-0.008,f=-1.4) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -163:sc= -9.24! (180deg=-10.7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.48 K(o=-0.48,f=-1) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.673 9.141 3.869 1.00 0.00 N ATOM 766 CA LEU A 53 1.894 8.938 4.643 1.00 0.00 C ATOM 767 C LEU A 53 2.703 7.782 4.073 1.00 0.00 C ATOM 768 O LEU A 53 2.148 6.753 3.689 1.00 0.00 O ATOM 769 CB LEU A 53 1.549 8.652 6.111 1.00 0.00 C ATOM 770 CG LEU A 53 2.138 9.615 7.157 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.406 9.041 7.766 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.414 10.984 6.563 1.00 0.00 C ATOM 0 HA LEU A 53 2.491 9.848 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.464 8.660 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.885 7.643 6.350 1.00 0.00 H new ATOM 0 HG LEU A 53 1.394 9.734 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.804 9.739 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.179 8.092 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.146 8.880 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.829 11.637 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.127 10.888 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.485 11.412 6.187 1.00 0.00 H new ATOM 784 N THR A 54 4.018 7.960 4.008 1.00 0.00 N ATOM 785 CA THR A 54 4.902 6.925 3.493 1.00 0.00 C ATOM 786 C THR A 54 6.353 7.244 3.822 1.00 0.00 C ATOM 787 O THR A 54 6.648 8.269 4.435 1.00 0.00 O ATOM 788 CB THR A 54 4.731 6.765 1.981 1.00 0.00 C ATOM 789 OG1 THR A 54 3.808 7.713 1.474 1.00 0.00 O ATOM 790 CG2 THR A 54 4.242 5.390 1.579 1.00 0.00 C ATOM 0 H THR A 54 4.494 8.812 4.306 1.00 0.00 H new ATOM 0 HA THR A 54 4.632 5.985 3.974 1.00 0.00 H new ATOM 0 HB THR A 54 5.725 6.920 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.715 7.594 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.142 5.342 0.495 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.958 4.638 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.274 5.198 2.042 1.00 0.00 H new ATOM 798 N ALA A 55 7.250 6.355 3.414 1.00 0.00 N ATOM 799 CA ALA A 55 8.673 6.521 3.677 1.00 0.00 C ATOM 800 C ALA A 55 9.150 7.923 3.311 1.00 0.00 C ATOM 801 O ALA A 55 9.962 8.515 4.023 1.00 0.00 O ATOM 802 CB ALA A 55 9.471 5.480 2.915 1.00 0.00 C ATOM 0 H ALA A 55 7.015 5.508 2.897 1.00 0.00 H new ATOM 0 HA ALA A 55 8.833 6.383 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.533 5.614 3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.164 4.483 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.290 5.594 1.846 1.00 0.00 H new ATOM 808 N SER A 56 8.652 8.444 2.194 1.00 0.00 N ATOM 809 CA SER A 56 9.026 9.779 1.742 1.00 0.00 C ATOM 810 C SER A 56 8.682 10.819 2.803 1.00 0.00 C ATOM 811 O SER A 56 9.510 11.660 3.159 1.00 0.00 O ATOM 812 CB SER A 56 8.316 10.115 0.429 1.00 0.00 C ATOM 813 OG SER A 56 8.703 9.224 -0.602 1.00 0.00 O ATOM 0 H SER A 56 7.989 7.963 1.586 1.00 0.00 H new ATOM 0 HA SER A 56 10.103 9.795 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.237 10.064 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.551 11.139 0.137 1.00 0.00 H new ATOM 0 HG SER A 56 8.234 9.459 -1.430 1.00 0.00 H new ATOM 819 N MET A 57 7.460 10.741 3.320 1.00 0.00 N ATOM 820 CA MET A 57 7.008 11.659 4.357 1.00 0.00 C ATOM 821 C MET A 57 7.925 11.574 5.570 1.00 0.00 C ATOM 822 O MET A 57 8.308 12.590 6.147 1.00 0.00 O ATOM 823 CB MET A 57 5.570 11.330 4.768 1.00 0.00 C ATOM 824 CG MET A 57 4.509 11.851 3.808 1.00 0.00 C ATOM 825 SD MET A 57 5.133 12.137 2.140 1.00 0.00 S ATOM 826 CE MET A 57 4.967 10.498 1.438 1.00 0.00 C ATOM 0 H MET A 57 6.765 10.050 3.037 1.00 0.00 H new ATOM 0 HA MET A 57 7.038 12.673 3.959 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.467 10.248 4.852 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.383 11.746 5.758 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.687 11.136 3.763 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.100 12.782 4.200 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.330 10.504 0.410 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.552 9.790 2.025 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.918 10.201 1.451 1.00 0.00 H new ATOM 836 N LEU A 58 8.285 10.349 5.935 1.00 0.00 N ATOM 837 CA LEU A 58 9.173 10.112 7.066 1.00 0.00 C ATOM 838 C LEU A 58 10.517 10.795 6.851 1.00 0.00 C ATOM 839 O LEU A 58 11.049 11.443 7.753 1.00 0.00 O ATOM 840 CB LEU A 58 9.386 8.606 7.254 1.00 0.00 C ATOM 841 CG LEU A 58 8.228 7.828 7.896 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.105 8.755 8.347 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.705 6.783 6.923 1.00 0.00 C ATOM 0 H LEU A 58 7.974 9.501 5.461 1.00 0.00 H new ATOM 0 HA LEU A 58 8.709 10.530 7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.594 8.166 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.276 8.461 7.866 1.00 0.00 H new ATOM 0 HG LEU A 58 8.610 7.328 8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.305 8.166 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.490 9.463 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.716 9.300 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.884 6.235 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.349 7.275 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.506 6.089 6.668 1.00 0.00 H new ATOM 855 N ALA A 59 11.058 10.643 5.647 1.00 0.00 N ATOM 856 CA ALA A 59 12.346 11.235 5.303 1.00 0.00 C ATOM 857 C ALA A 59 12.286 12.760 5.347 1.00 0.00 C ATOM 858 O ALA A 59 13.318 13.430 5.310 1.00 0.00 O ATOM 859 CB ALA A 59 12.792 10.764 3.929 1.00 0.00 C ATOM 0 H ALA A 59 10.623 10.114 4.891 1.00 0.00 H new ATOM 0 HA ALA A 59 13.075 10.907 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.755 11.214 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.888 9.678 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.053 11.062 3.185 1.00 0.00 H new ATOM 865 N SER A 60 11.075 13.302 5.430 1.00 0.00 N ATOM 866 CA SER A 60 10.888 14.749 5.477 1.00 0.00 C ATOM 867 C SER A 60 11.226 15.308 6.858 1.00 0.00 C ATOM 868 O SER A 60 11.328 16.521 7.036 1.00 0.00 O ATOM 869 CB SER A 60 9.447 15.110 5.110 1.00 0.00 C ATOM 870 OG SER A 60 9.041 14.451 3.922 1.00 0.00 O ATOM 0 H SER A 60 10.210 12.763 5.466 1.00 0.00 H new ATOM 0 HA SER A 60 11.568 15.196 4.752 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.781 14.835 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.362 16.189 4.978 1.00 0.00 H new ATOM 0 HG SER A 60 9.199 13.488 4.012 1.00 0.00 H new ATOM 876 N ALA A 61 11.395 14.418 7.833 1.00 0.00 N ATOM 877 CA ALA A 61 11.723 14.832 9.196 1.00 0.00 C ATOM 878 C ALA A 61 12.769 13.908 9.824 1.00 0.00 C ATOM 879 O ALA A 61 12.515 13.286 10.854 1.00 0.00 O ATOM 880 CB ALA A 61 10.463 14.871 10.051 1.00 0.00 C ATOM 0 H ALA A 61 11.311 13.409 7.706 1.00 0.00 H new ATOM 0 HA ALA A 61 12.151 15.833 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.720 15.181 11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.755 15.581 9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.011 13.879 10.078 1.00 0.00 H new ATOM 946 N GLN A 66 11.255 10.602 12.121 1.00 0.00 N ATOM 947 CA GLN A 66 11.632 9.475 11.276 1.00 0.00 C ATOM 948 C GLN A 66 11.331 8.148 11.956 1.00 0.00 C ATOM 949 O GLN A 66 11.284 7.103 11.308 1.00 0.00 O ATOM 950 CB GLN A 66 13.120 9.546 10.950 1.00 0.00 C ATOM 951 CG GLN A 66 13.404 9.854 9.493 1.00 0.00 C ATOM 952 CD GLN A 66 14.709 9.250 9.013 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.563 8.869 9.813 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.870 9.158 7.697 1.00 0.00 N ATOM 0 HA GLN A 66 11.046 9.535 10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.584 10.311 11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.587 8.596 11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.586 9.477 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.435 10.935 9.353 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.136 9.486 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.727 8.759 7.315 1.00 0.00 H new ATOM 963 N LYS A 67 11.161 8.195 13.269 1.00 0.00 N ATOM 964 CA LYS A 67 10.871 6.995 14.047 1.00 0.00 C ATOM 965 C LYS A 67 9.698 7.234 14.989 1.00 0.00 C ATOM 966 O LYS A 67 9.605 6.615 16.049 1.00 0.00 O ATOM 967 CB LYS A 67 12.104 6.565 14.845 1.00 0.00 C ATOM 968 CG LYS A 67 13.400 6.637 14.055 1.00 0.00 C ATOM 969 CD LYS A 67 14.252 7.819 14.487 1.00 0.00 C ATOM 970 CE LYS A 67 15.091 7.485 15.711 1.00 0.00 C ATOM 971 NZ LYS A 67 16.040 6.367 15.446 1.00 0.00 N ATOM 0 H LYS A 67 11.219 9.051 13.820 1.00 0.00 H new ATOM 0 HA LYS A 67 10.603 6.197 13.354 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.192 7.197 15.729 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.960 5.543 15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.962 5.713 14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.175 6.719 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.906 8.116 13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.609 8.671 14.707 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.649 8.369 16.021 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.435 7.216 16.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.840 6.427 16.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.551 5.458 15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.392 6.434 14.470 1.00 0.00 H new ATOM 985 N GLN A 68 8.799 8.131 14.593 1.00 0.00 N ATOM 986 CA GLN A 68 7.646 8.462 15.421 1.00 0.00 C ATOM 987 C GLN A 68 6.343 8.445 14.624 1.00 0.00 C ATOM 988 O GLN A 68 5.406 7.724 14.967 1.00 0.00 O ATOM 989 CB GLN A 68 7.840 9.837 16.063 1.00 0.00 C ATOM 990 CG GLN A 68 6.678 10.268 16.943 1.00 0.00 C ATOM 991 CD GLN A 68 7.056 11.376 17.908 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.731 11.139 18.908 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.617 12.594 17.611 1.00 0.00 N ATOM 0 H GLN A 68 8.847 8.638 13.709 1.00 0.00 H new ATOM 0 HA GLN A 68 7.571 7.699 16.195 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.752 9.824 16.660 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.984 10.578 15.277 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.855 10.605 16.313 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.316 9.408 17.507 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.060 12.744 16.770 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.837 13.379 18.224 1.00 0.00 H new ATOM 1002 N MET A 69 6.274 9.270 13.583 1.00 0.00 N ATOM 1003 CA MET A 69 5.056 9.393 12.784 1.00 0.00 C ATOM 1004 C MET A 69 4.911 8.269 11.759 1.00 0.00 C ATOM 1005 O MET A 69 4.222 8.426 10.751 1.00 0.00 O ATOM 1006 CB MET A 69 5.033 10.743 12.070 1.00 0.00 C ATOM 1007 CG MET A 69 5.996 10.830 10.897 1.00 0.00 C ATOM 1008 SD MET A 69 5.266 11.651 9.465 1.00 0.00 S ATOM 1009 CE MET A 69 6.731 12.257 8.633 1.00 0.00 C ATOM 0 H MET A 69 7.044 9.862 13.273 1.00 0.00 H new ATOM 0 HA MET A 69 4.214 9.318 13.473 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.022 10.938 11.714 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.276 11.527 12.787 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.891 11.371 11.205 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.312 9.826 10.615 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.584 13.300 8.351 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.588 12.179 9.302 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.914 11.661 7.739 1.00 0.00 H new ATOM 1019 N LEU A 70 5.544 7.136 12.019 1.00 0.00 N ATOM 1020 CA LEU A 70 5.450 5.991 11.120 1.00 0.00 C ATOM 1021 C LEU A 70 4.247 5.147 11.491 1.00 0.00 C ATOM 1022 O LEU A 70 3.501 4.682 10.631 1.00 0.00 O ATOM 1023 CB LEU A 70 6.717 5.136 11.190 1.00 0.00 C ATOM 1024 CG LEU A 70 7.768 5.614 12.190 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.839 4.554 12.386 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.376 6.926 11.722 1.00 0.00 C ATOM 0 H LEU A 70 6.127 6.982 12.842 1.00 0.00 H new ATOM 0 HA LEU A 70 5.339 6.363 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.434 4.115 11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.170 5.103 10.199 1.00 0.00 H new ATOM 0 HG LEU A 70 7.287 5.784 13.153 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.579 4.912 13.102 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.381 3.640 12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.326 4.348 11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.124 7.258 12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.847 6.782 10.750 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.594 7.680 11.638 1.00 0.00 H new ATOM 1038 N GLY A 71 4.070 4.957 12.788 1.00 0.00 N ATOM 1039 CA GLY A 71 2.936 4.214 13.278 1.00 0.00 C ATOM 1040 C GLY A 71 2.063 5.076 14.165 1.00 0.00 C ATOM 1041 O GLY A 71 1.167 4.578 14.846 1.00 0.00 O ATOM 0 H GLY A 71 4.697 5.307 13.512 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.350 3.841 12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.281 3.344 13.837 1.00 0.00 H new ATOM 1045 N GLU A 72 2.327 6.383 14.143 1.00 0.00 N ATOM 1046 CA GLU A 72 1.570 7.330 14.953 1.00 0.00 C ATOM 1047 C GLU A 72 0.984 8.454 14.100 1.00 0.00 C ATOM 1048 O GLU A 72 0.329 9.358 14.620 1.00 0.00 O ATOM 1049 CB GLU A 72 2.461 7.920 16.047 1.00 0.00 C ATOM 1050 CG GLU A 72 3.124 6.870 16.924 1.00 0.00 C ATOM 1051 CD GLU A 72 3.093 7.231 18.396 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.722 8.243 18.772 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.442 6.502 19.173 1.00 0.00 O ATOM 0 H GLU A 72 3.059 6.807 13.573 1.00 0.00 H new ATOM 0 HA GLU A 72 0.744 6.787 15.411 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.233 8.534 15.583 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.863 8.580 16.675 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.623 5.913 16.779 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.159 6.740 16.608 1.00 0.00 H new ATOM 1060 N ARG A 73 1.185 8.374 12.785 1.00 0.00 N ATOM 1061 CA ARG A 73 0.664 9.388 11.873 1.00 0.00 C ATOM 1062 C ARG A 73 -0.172 8.751 10.770 1.00 0.00 C ATOM 1063 O ARG A 73 -1.147 9.340 10.306 1.00 0.00 O ATOM 1064 CB ARG A 73 1.805 10.195 11.258 1.00 0.00 C ATOM 1065 CG ARG A 73 1.449 11.650 10.999 1.00 0.00 C ATOM 1066 CD ARG A 73 0.782 11.829 9.645 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.254 12.856 9.674 1.00 0.00 N ATOM 1068 CZ ARG A 73 0.002 14.162 9.699 1.00 0.00 C ATOM 1069 NH1 ARG A 73 1.255 14.596 9.701 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.997 15.033 9.724 1.00 0.00 N ATOM 0 H ARG A 73 1.702 7.621 12.331 1.00 0.00 H new ATOM 0 HA ARG A 73 0.026 10.058 12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.668 10.153 11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.103 9.730 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.783 12.008 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.351 12.260 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.535 12.095 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.344 10.882 9.329 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.229 12.556 9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.026 13.928 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.448 15.597 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.962 14.702 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.801 16.034 9.743 1.00 0.00 H new ATOM 1084 N LEU A 74 0.202 7.543 10.361 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.524 6.822 9.341 1.00 0.00 C ATOM 1086 C LEU A 74 -1.985 6.631 9.706 1.00 0.00 C ATOM 1087 O LEU A 74 -2.831 6.512 8.830 1.00 0.00 O ATOM 1088 CB LEU A 74 0.095 5.446 9.206 1.00 0.00 C ATOM 1089 CG LEU A 74 1.085 5.266 8.076 1.00 0.00 C ATOM 1090 CD1 LEU A 74 0.453 5.635 6.741 1.00 0.00 C ATOM 1091 CD2 LEU A 74 2.353 6.056 8.330 1.00 0.00 C ATOM 0 H LEU A 74 1.013 7.045 10.729 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.469 7.398 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.597 5.203 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.708 4.720 9.077 1.00 0.00 H new ATOM 0 HG LEU A 74 1.363 4.213 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.183 5.498 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.410 4.995 6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.133 6.677 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.046 5.908 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.111 7.115 8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.815 5.714 9.256 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.242 6.489 11.000 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.574 6.162 11.510 1.00 0.00 C ATOM 1105 C PHE A 75 -4.719 6.775 10.686 1.00 0.00 C ATOM 1106 O PHE A 75 -5.538 6.035 10.138 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.698 6.553 12.985 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.910 5.973 13.653 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.378 4.717 13.299 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.582 6.685 14.633 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.497 4.185 13.909 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.699 6.157 15.248 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.158 4.905 14.887 1.00 0.00 C ATOM 0 H PHE A 75 -1.536 6.597 11.728 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.679 5.081 11.412 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.806 6.223 13.517 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.733 7.640 13.064 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.862 4.149 12.539 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.228 7.664 14.919 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.855 3.207 13.622 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.214 6.722 16.011 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.031 4.489 15.368 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.833 8.119 10.598 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.922 8.759 9.845 1.00 0.00 C ATOM 1125 C PRO A 76 -5.852 8.451 8.352 1.00 0.00 C ATOM 1126 O PRO A 76 -6.834 8.611 7.626 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.710 10.259 10.089 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.804 10.340 11.271 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.939 9.116 11.208 1.00 0.00 C ATOM 0 HA PRO A 76 -6.898 8.399 10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.265 10.740 9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.656 10.764 10.283 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.201 11.247 11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.374 10.368 12.200 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.046 9.282 10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.603 8.807 12.198 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.686 8.004 7.907 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.457 7.711 6.497 1.00 0.00 C ATOM 1139 C LEU A 77 -4.596 6.217 6.184 1.00 0.00 C ATOM 1140 O LEU A 77 -4.771 5.841 5.026 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.069 8.211 6.093 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.890 9.729 6.174 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.458 10.118 5.853 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.859 10.432 5.236 1.00 0.00 C ATOM 0 H LEU A 77 -3.878 7.835 8.506 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.222 8.229 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.326 7.736 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.864 7.888 5.072 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.109 10.045 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.352 11.201 5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.784 9.645 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.208 9.787 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.717 11.510 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.673 10.109 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.882 10.182 5.516 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.515 5.368 7.209 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.656 3.924 7.006 1.00 0.00 C ATOM 1158 C ILE A 78 -6.104 3.567 6.710 1.00 0.00 C ATOM 1159 O ILE A 78 -6.391 2.797 5.795 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.205 3.107 8.226 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.798 3.518 8.667 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.262 1.619 7.908 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.699 2.957 7.792 1.00 0.00 C ATOM 0 H ILE A 78 -4.355 5.649 8.176 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.013 3.674 6.162 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.885 3.311 9.053 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.730 4.606 8.668 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.637 3.188 9.693 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.940 1.048 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.284 1.341 7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.603 1.401 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.731 3.290 8.165 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.740 1.868 7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.834 3.308 6.769 1.00 0.00 H new ATOM 1175 N GLN A 79 -7.012 4.123 7.509 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.442 3.900 7.328 1.00 0.00 C ATOM 1177 C GLN A 79 -8.845 4.212 5.892 1.00 0.00 C ATOM 1178 O GLN A 79 -9.907 3.807 5.422 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.231 4.784 8.292 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.720 4.051 9.528 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.483 4.834 10.804 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -8.602 4.500 11.597 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.270 5.882 11.009 1.00 0.00 N ATOM 0 H GLN A 79 -6.780 4.734 8.292 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.665 2.854 7.537 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.604 5.621 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.088 5.205 7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.785 3.845 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.214 3.088 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.987 6.123 10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.158 6.447 11.851 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.974 4.939 5.209 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.181 5.304 3.816 1.00 0.00 C ATOM 1194 C ALA A 80 -7.823 4.145 2.897 1.00 0.00 C ATOM 1195 O ALA A 80 -8.463 3.930 1.867 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.332 6.515 3.469 1.00 0.00 C ATOM 0 H ALA A 80 -7.103 5.293 5.605 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.234 5.546 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.491 6.784 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.615 7.353 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.280 6.279 3.627 1.00 0.00 H new ATOM 1202 N MET A 81 -6.773 3.418 3.266 1.00 0.00 N ATOM 1203 CA MET A 81 -6.304 2.285 2.476 1.00 0.00 C ATOM 1204 C MET A 81 -7.238 1.091 2.634 1.00 0.00 C ATOM 1205 O MET A 81 -7.661 0.484 1.650 1.00 0.00 O ATOM 1206 CB MET A 81 -4.887 1.900 2.905 1.00 0.00 C ATOM 1207 CG MET A 81 -4.070 3.077 3.411 1.00 0.00 C ATOM 1208 SD MET A 81 -2.523 3.288 2.513 1.00 0.00 S ATOM 1209 CE MET A 81 -1.433 2.259 3.491 1.00 0.00 C ATOM 0 H MET A 81 -6.229 3.594 4.111 1.00 0.00 H new ATOM 0 HA MET A 81 -6.295 2.578 1.426 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.945 1.144 3.688 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.370 1.445 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.662 3.988 3.325 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.854 2.935 4.470 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.509 2.799 3.695 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.920 2.005 4.432 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.205 1.345 2.942 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.552 0.766 3.881 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.436 -0.350 4.186 1.00 0.00 C ATOM 1221 C HIS A 82 -9.789 0.160 4.670 1.00 0.00 C ATOM 1222 O HIS A 82 -9.895 1.300 5.115 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.801 -1.236 5.259 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.021 -2.383 4.702 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.291 -3.677 5.069 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.993 -2.378 3.819 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.438 -4.430 4.399 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.623 -3.685 3.640 1.00 0.00 N ATOM 0 H HIS A 82 -7.205 1.263 4.702 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.587 -0.935 3.279 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.143 -0.627 5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.585 -1.622 5.910 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -8.005 -3.993 5.725 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.551 -1.512 3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.402 -5.508 4.456 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.845 -0.674 4.594 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.189 -0.289 5.043 1.00 0.00 C ATOM 1238 C PRO A 83 -12.240 -0.053 6.550 1.00 0.00 C ATOM 1239 O PRO A 83 -12.796 -0.859 7.296 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.067 -1.490 4.660 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.251 -2.291 3.701 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.818 -2.050 4.074 1.00 0.00 C ATOM 0 HA PRO A 83 -12.515 0.646 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.331 -2.079 5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.001 -1.163 4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.499 -3.350 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.444 -1.983 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.470 -2.760 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.155 -2.145 3.214 1.00 0.00 H new ATOM 1250 N THR A 84 -11.643 1.054 6.988 1.00 0.00 N ATOM 1251 CA THR A 84 -11.597 1.399 8.404 1.00 0.00 C ATOM 1252 C THR A 84 -11.129 0.209 9.241 1.00 0.00 C ATOM 1253 O THR A 84 -11.648 -0.040 10.330 1.00 0.00 O ATOM 1254 CB THR A 84 -12.975 1.867 8.881 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.636 2.598 7.862 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.920 2.743 10.113 1.00 0.00 C ATOM 0 H THR A 84 -11.183 1.729 6.377 1.00 0.00 H new ATOM 0 HA THR A 84 -10.882 2.211 8.532 1.00 0.00 H new ATOM 0 HB THR A 84 -13.518 0.955 9.130 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.515 2.887 8.185 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.931 3.038 10.395 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.461 2.190 10.933 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.328 3.633 9.900 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.153 -0.529 8.718 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.629 -1.704 9.406 1.00 0.00 C ATOM 1266 C LEU A 85 -8.377 -1.363 10.209 1.00 0.00 C ATOM 1267 O LEU A 85 -7.698 -2.252 10.724 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.316 -2.811 8.398 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.500 -3.714 8.045 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.191 -4.537 6.804 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.848 -4.620 9.216 1.00 0.00 C ATOM 0 H LEU A 85 -9.710 -0.334 7.820 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.393 -2.054 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.941 -2.353 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.512 -3.430 8.797 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.363 -3.083 7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.044 -5.173 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.992 -3.870 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.315 -5.159 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.692 -5.255 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.989 -5.244 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.113 -4.011 10.081 1.00 0.00 H new ATOM 1283 N ALA A 86 -8.081 -0.072 10.314 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.921 0.392 11.068 1.00 0.00 C ATOM 1285 C ALA A 86 -7.123 0.164 12.565 1.00 0.00 C ATOM 1286 O ALA A 86 -7.662 -0.865 12.975 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.662 1.861 10.767 1.00 0.00 C ATOM 0 H ALA A 86 -8.630 0.674 9.886 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.047 -0.183 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.795 2.201 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.471 1.986 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.534 2.450 11.051 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.688 1.120 13.379 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.821 0.982 14.817 1.00 0.00 C ATOM 1295 C GLY A 87 -5.735 0.104 15.403 1.00 0.00 C ATOM 1296 O GLY A 87 -5.538 0.069 16.617 1.00 0.00 O ATOM 0 H GLY A 87 -6.247 1.986 13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.781 1.967 15.281 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.797 0.558 15.052 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.020 -0.595 14.527 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.945 -1.480 14.951 1.00 0.00 C ATOM 1302 C LYS A 88 -2.932 -1.713 13.830 1.00 0.00 C ATOM 1303 O LYS A 88 -1.786 -2.059 14.099 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.518 -2.823 15.416 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.455 -3.869 15.715 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.659 -3.514 16.960 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.164 -3.533 16.687 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.375 -3.761 17.928 1.00 0.00 N ATOM 0 H LYS A 88 -5.167 -0.564 13.518 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.428 -0.996 15.780 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.119 -2.662 16.311 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.188 -3.208 14.647 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.928 -4.842 15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.780 -3.957 14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.953 -2.525 17.312 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.894 -4.219 17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.937 -4.316 15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.865 -2.587 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.453 -3.132 17.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.968 -3.560 18.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.057 -4.751 17.961 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.354 -1.534 12.577 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.473 -1.766 11.440 1.00 0.00 C ATOM 1324 C ILE A 89 -1.138 -1.045 11.603 1.00 0.00 C ATOM 1325 O ILE A 89 -0.157 -1.641 12.036 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.123 -1.332 10.116 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.457 -2.055 9.920 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.179 -1.620 8.960 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.336 -1.431 8.859 1.00 0.00 C ATOM 0 H ILE A 89 -4.296 -1.231 12.329 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.294 -2.841 11.409 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.318 -0.260 10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.262 -3.094 9.653 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.997 -2.066 10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.645 -1.311 8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.250 -1.068 9.103 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.965 -2.688 8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.264 -1.997 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.563 -0.401 9.134 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.816 -1.445 7.901 1.00 0.00 H new ATOM 1341 N THR A 90 -1.099 0.230 11.226 1.00 0.00 N ATOM 1342 CA THR A 90 0.122 1.026 11.330 1.00 0.00 C ATOM 1343 C THR A 90 0.656 1.008 12.757 1.00 0.00 C ATOM 1344 O THR A 90 1.868 0.977 12.972 1.00 0.00 O ATOM 1345 CB THR A 90 -0.158 2.452 10.862 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.607 2.740 9.707 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.135 3.526 11.890 1.00 0.00 C ATOM 0 H THR A 90 -1.899 0.735 10.845 1.00 0.00 H new ATOM 0 HA THR A 90 0.889 0.593 10.689 1.00 0.00 H new ATOM 0 HB THR A 90 -1.230 2.477 10.665 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.471 3.118 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.094 4.505 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.479 3.359 12.775 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.189 3.487 12.167 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.251 1.020 13.729 1.00 0.00 N ATOM 1356 CA GLY A 91 0.164 0.936 15.113 1.00 0.00 C ATOM 1357 C GLY A 91 0.982 -0.314 15.343 1.00 0.00 C ATOM 1358 O GLY A 91 1.881 -0.345 16.186 1.00 0.00 O ATOM 0 H GLY A 91 -1.258 1.086 13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.751 1.816 15.377 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.712 0.930 15.762 1.00 0.00 H new ATOM 1362 N MET A 92 0.686 -1.333 14.546 1.00 0.00 N ATOM 1363 CA MET A 92 1.424 -2.587 14.587 1.00 0.00 C ATOM 1364 C MET A 92 2.758 -2.416 13.893 1.00 0.00 C ATOM 1365 O MET A 92 3.763 -2.991 14.297 1.00 0.00 O ATOM 1366 CB MET A 92 0.642 -3.701 13.889 1.00 0.00 C ATOM 1367 CG MET A 92 0.868 -5.069 14.504 1.00 0.00 C ATOM 1368 SD MET A 92 -0.576 -6.137 14.384 1.00 0.00 S ATOM 1369 CE MET A 92 -0.870 -6.091 12.620 1.00 0.00 C ATOM 0 H MET A 92 -0.067 -1.313 13.858 1.00 0.00 H new ATOM 0 HA MET A 92 1.575 -2.860 15.631 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.422 -3.466 13.924 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.927 -3.732 12.837 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.712 -5.550 14.009 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.140 -4.950 15.553 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.273 -7.050 12.293 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.584 -5.300 12.391 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.068 -5.895 12.100 1.00 0.00 H new ATOM 1379 N LEU A 93 2.742 -1.611 12.839 1.00 0.00 N ATOM 1380 CA LEU A 93 3.925 -1.354 12.033 1.00 0.00 C ATOM 1381 C LEU A 93 5.057 -0.766 12.865 1.00 0.00 C ATOM 1382 O LEU A 93 6.175 -0.598 12.379 1.00 0.00 O ATOM 1383 CB LEU A 93 3.564 -0.415 10.893 1.00 0.00 C ATOM 1384 CG LEU A 93 3.009 -1.098 9.638 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.053 -2.024 9.032 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.739 -1.866 9.966 1.00 0.00 C ATOM 0 H LEU A 93 1.908 -1.118 12.520 1.00 0.00 H new ATOM 0 HA LEU A 93 4.278 -2.303 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.827 0.302 11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.452 0.153 10.616 1.00 0.00 H new ATOM 0 HG LEU A 93 2.764 -0.329 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.643 -2.501 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.937 -1.447 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.328 -2.788 9.759 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.359 -2.344 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.957 -2.627 10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.988 -1.178 10.355 1.00 0.00 H new ATOM 1398 N LEU A 94 4.763 -0.450 14.117 1.00 0.00 N ATOM 1399 CA LEU A 94 5.775 0.044 15.031 1.00 0.00 C ATOM 1400 C LEU A 94 6.087 -1.037 16.054 1.00 0.00 C ATOM 1401 O LEU A 94 6.473 -0.754 17.189 1.00 0.00 O ATOM 1402 CB LEU A 94 5.298 1.324 15.719 1.00 0.00 C ATOM 1403 CG LEU A 94 5.906 2.625 15.175 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.334 2.794 15.673 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.864 2.650 13.651 1.00 0.00 C ATOM 0 H LEU A 94 3.830 -0.528 14.521 1.00 0.00 H new ATOM 0 HA LEU A 94 6.682 0.286 14.476 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.213 1.383 15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.526 1.252 16.782 1.00 0.00 H new ATOM 0 HG LEU A 94 5.309 3.459 15.544 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.750 3.721 15.278 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.338 2.830 16.762 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.939 1.952 15.336 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.300 3.581 13.290 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.432 1.807 13.257 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.830 2.580 13.314 1.00 0.00 H new ATOM 1417 N GLU A 95 5.880 -2.284 15.634 1.00 0.00 N ATOM 1418 CA GLU A 95 6.104 -3.440 16.495 1.00 0.00 C ATOM 1419 C GLU A 95 6.012 -4.748 15.706 1.00 0.00 C ATOM 1420 O GLU A 95 6.142 -5.831 16.277 1.00 0.00 O ATOM 1421 CB GLU A 95 5.085 -3.454 17.639 1.00 0.00 C ATOM 1422 CG GLU A 95 3.696 -3.913 17.220 1.00 0.00 C ATOM 1423 CD GLU A 95 2.793 -4.190 18.406 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.253 -3.221 18.980 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.626 -5.376 18.760 1.00 0.00 O ATOM 0 H GLU A 95 5.555 -2.519 14.696 1.00 0.00 H new ATOM 0 HA GLU A 95 7.110 -3.358 16.906 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.450 -4.109 18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.014 -2.452 18.062 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.239 -3.149 16.590 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.782 -4.815 16.615 1.00 0.00 H new ATOM 1432 N ILE A 96 5.817 -4.644 14.389 1.00 0.00 N ATOM 1433 CA ILE A 96 5.707 -5.832 13.535 1.00 0.00 C ATOM 1434 C ILE A 96 7.001 -6.647 13.531 1.00 0.00 C ATOM 1435 O ILE A 96 7.777 -6.621 14.486 1.00 0.00 O ATOM 1436 CB ILE A 96 5.384 -5.477 12.064 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.528 -4.681 11.422 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.068 -4.731 11.941 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.830 -3.364 12.092 1.00 0.00 C ATOM 0 H ILE A 96 5.732 -3.757 13.893 1.00 0.00 H new ATOM 0 HA ILE A 96 4.889 -6.413 13.961 1.00 0.00 H new ATOM 0 HB ILE A 96 5.279 -6.416 11.521 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.429 -5.294 11.432 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.281 -4.494 10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.877 -4.500 10.893 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.260 -5.352 12.329 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.120 -3.805 12.513 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.651 -2.871 11.572 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.946 -2.728 12.059 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.112 -3.540 13.130 1.00 0.00 H new ATOM 1451 N ASP A 97 7.234 -7.340 12.416 1.00 0.00 N ATOM 1452 CA ASP A 97 8.437 -8.136 12.221 1.00 0.00 C ATOM 1453 C ASP A 97 9.691 -7.269 12.315 1.00 0.00 C ATOM 1454 O ASP A 97 10.811 -7.769 12.201 1.00 0.00 O ATOM 1455 CB ASP A 97 8.374 -8.810 10.850 1.00 0.00 C ATOM 1456 CG ASP A 97 9.118 -10.131 10.816 1.00 0.00 C ATOM 1457 OD1 ASP A 97 10.365 -10.109 10.776 1.00 0.00 O ATOM 1458 OD2 ASP A 97 8.451 -11.187 10.827 1.00 0.00 O ATOM 0 H ASP A 97 6.591 -7.363 11.625 1.00 0.00 H new ATOM 0 HA ASP A 97 8.489 -8.890 13.006 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.332 -8.977 10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.795 -8.140 10.100 1.00 0.00 H new ATOM 1463 N ASN A 98 9.481 -5.965 12.498 1.00 0.00 N ATOM 1464 CA ASN A 98 10.563 -4.988 12.612 1.00 0.00 C ATOM 1465 C ASN A 98 11.144 -4.641 11.247 1.00 0.00 C ATOM 1466 O ASN A 98 11.653 -3.538 11.043 1.00 0.00 O ATOM 1467 CB ASN A 98 11.667 -5.485 13.550 1.00 0.00 C ATOM 1468 CG ASN A 98 11.279 -5.375 15.011 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.203 -4.877 15.346 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.158 -5.838 15.893 1.00 0.00 N ATOM 0 H ASN A 98 8.550 -5.555 12.572 1.00 0.00 H new ATOM 0 HA ASN A 98 10.134 -4.082 13.040 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.898 -6.524 13.316 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.576 -4.909 13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.953 -5.789 16.891 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.038 -6.243 15.572 1.00 0.00 H new ATOM 1477 N SER A 99 11.059 -5.579 10.312 1.00 0.00 N ATOM 1478 CA SER A 99 11.548 -5.347 8.959 1.00 0.00 C ATOM 1479 C SER A 99 10.578 -4.452 8.201 1.00 0.00 C ATOM 1480 O SER A 99 10.979 -3.664 7.347 1.00 0.00 O ATOM 1481 CB SER A 99 11.735 -6.671 8.220 1.00 0.00 C ATOM 1482 OG SER A 99 10.946 -6.720 7.043 1.00 0.00 O ATOM 0 H SER A 99 10.658 -6.504 10.465 1.00 0.00 H new ATOM 0 HA SER A 99 12.516 -4.849 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.786 -6.800 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.464 -7.498 8.877 1.00 0.00 H new ATOM 0 HG SER A 99 11.087 -7.577 6.590 1.00 0.00 H new ATOM 1488 N GLU A 100 9.299 -4.573 8.539 1.00 0.00 N ATOM 1489 CA GLU A 100 8.264 -3.741 7.938 1.00 0.00 C ATOM 1490 C GLU A 100 8.325 -2.339 8.525 1.00 0.00 C ATOM 1491 O GLU A 100 7.910 -1.367 7.894 1.00 0.00 O ATOM 1492 CB GLU A 100 6.885 -4.361 8.159 1.00 0.00 C ATOM 1493 CG GLU A 100 6.912 -5.878 8.237 1.00 0.00 C ATOM 1494 CD GLU A 100 5.712 -6.518 7.569 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.580 -6.305 8.052 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.903 -7.235 6.564 1.00 0.00 O ATOM 0 H GLU A 100 8.954 -5.241 9.228 1.00 0.00 H new ATOM 0 HA GLU A 100 8.438 -3.678 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.460 -3.965 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.224 -4.058 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.824 -6.246 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.947 -6.184 9.283 1.00 0.00 H new ATOM 1503 N LEU A 101 8.885 -2.242 9.728 1.00 0.00 N ATOM 1504 CA LEU A 101 9.070 -0.959 10.387 1.00 0.00 C ATOM 1505 C LEU A 101 10.228 -0.208 9.742 1.00 0.00 C ATOM 1506 O LEU A 101 10.308 1.018 9.809 1.00 0.00 O ATOM 1507 CB LEU A 101 9.344 -1.162 11.881 1.00 0.00 C ATOM 1508 CG LEU A 101 9.886 0.064 12.620 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.092 0.316 13.892 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.364 -0.118 12.938 1.00 0.00 C ATOM 0 H LEU A 101 9.219 -3.042 10.265 1.00 0.00 H new ATOM 0 HA LEU A 101 8.158 -0.373 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.419 -1.477 12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.057 -1.979 11.995 1.00 0.00 H new ATOM 0 HG LEU A 101 9.777 0.934 11.972 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.492 1.191 14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.046 0.490 13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.168 -0.553 14.546 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.734 0.762 13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.495 -0.998 13.568 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.922 -0.249 12.011 1.00 0.00 H new ATOM 1522 N LEU A 102 11.123 -0.963 9.112 1.00 0.00 N ATOM 1523 CA LEU A 102 12.293 -0.391 8.458 1.00 0.00 C ATOM 1524 C LEU A 102 12.017 -0.099 6.988 1.00 0.00 C ATOM 1525 O LEU A 102 12.428 0.937 6.462 1.00 0.00 O ATOM 1526 CB LEU A 102 13.474 -1.356 8.571 1.00 0.00 C ATOM 1527 CG LEU A 102 14.518 -0.988 9.627 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.024 -1.355 11.018 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.840 -1.676 9.329 1.00 0.00 C ATOM 0 H LEU A 102 11.058 -1.978 9.041 1.00 0.00 H new ATOM 0 HA LEU A 102 12.532 0.548 8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.089 -2.351 8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.967 -1.416 7.601 1.00 0.00 H new ATOM 0 HG LEU A 102 14.676 0.090 9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.780 -1.086 11.755 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.101 -0.815 11.231 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.836 -2.428 11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.572 -1.403 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.697 -2.757 9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.201 -1.362 8.350 1.00 0.00 H new ATOM 1541 N HIS A 103 11.344 -1.031 6.324 1.00 0.00 N ATOM 1542 CA HIS A 103 11.039 -0.892 4.911 1.00 0.00 C ATOM 1543 C HIS A 103 10.048 0.240 4.668 1.00 0.00 C ATOM 1544 O HIS A 103 10.168 0.979 3.692 1.00 0.00 O ATOM 1545 CB HIS A 103 10.476 -2.206 4.375 1.00 0.00 C ATOM 1546 CG HIS A 103 11.106 -2.653 3.092 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.363 -1.769 2.072 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.507 -3.893 2.717 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.911 -2.483 1.104 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.018 -3.773 1.451 1.00 0.00 N ATOM 0 H HIS A 103 10.999 -1.893 6.746 1.00 0.00 H new ATOM 0 HA HIS A 103 11.961 -0.648 4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.613 -2.983 5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.402 -2.096 4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.437 -4.798 3.302 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.231 -2.079 0.155 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.407 -4.524 0.880 1.00 0.00 H new ATOM 1558 N MET A 104 9.061 0.364 5.552 1.00 0.00 N ATOM 1559 CA MET A 104 8.050 1.409 5.423 1.00 0.00 C ATOM 1560 C MET A 104 8.695 2.790 5.399 1.00 0.00 C ATOM 1561 O MET A 104 8.180 3.711 4.771 1.00 0.00 O ATOM 1562 CB MET A 104 7.063 1.340 6.586 1.00 0.00 C ATOM 1563 CG MET A 104 7.671 1.805 7.890 1.00 0.00 C ATOM 1564 SD MET A 104 6.765 1.218 9.330 1.00 0.00 S ATOM 1565 CE MET A 104 5.084 1.383 8.742 1.00 0.00 C ATOM 0 H MET A 104 8.940 -0.244 6.362 1.00 0.00 H new ATOM 0 HA MET A 104 7.522 1.246 4.484 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.192 1.953 6.356 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.710 0.315 6.699 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.703 1.458 7.949 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.700 2.895 7.904 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.398 1.354 9.589 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.974 2.332 8.217 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.855 0.563 8.061 1.00 0.00 H new ATOM 1575 N LEU A 105 9.794 2.935 6.138 1.00 0.00 N ATOM 1576 CA LEU A 105 10.503 4.207 6.217 1.00 0.00 C ATOM 1577 C LEU A 105 11.515 4.334 5.093 1.00 0.00 C ATOM 1578 O LEU A 105 12.090 5.403 4.881 1.00 0.00 O ATOM 1579 CB LEU A 105 11.229 4.336 7.559 1.00 0.00 C ATOM 1580 CG LEU A 105 10.445 3.851 8.776 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.329 3.860 10.014 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.214 4.712 8.991 1.00 0.00 C ATOM 0 H LEU A 105 10.211 2.186 6.690 1.00 0.00 H new ATOM 0 HA LEU A 105 9.764 5.002 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.163 3.777 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.493 5.383 7.711 1.00 0.00 H new ATOM 0 HG LEU A 105 10.119 2.827 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.756 3.512 10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.183 3.201 9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.683 4.874 10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.666 4.353 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.517 5.746 9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.573 4.656 8.111 1.00 0.00 H new ATOM 1594 N GLU A 106 11.747 3.237 4.386 1.00 0.00 N ATOM 1595 CA GLU A 106 12.738 3.227 3.324 1.00 0.00 C ATOM 1596 C GLU A 106 12.102 3.101 1.941 1.00 0.00 C ATOM 1597 O GLU A 106 12.788 3.226 0.927 1.00 0.00 O ATOM 1598 CB GLU A 106 13.740 2.088 3.555 1.00 0.00 C ATOM 1599 CG GLU A 106 13.391 0.798 2.828 1.00 0.00 C ATOM 1600 CD GLU A 106 14.207 0.600 1.565 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.453 0.643 1.650 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.601 0.405 0.492 1.00 0.00 O ATOM 0 H GLU A 106 11.265 2.349 4.528 1.00 0.00 H new ATOM 0 HA GLU A 106 13.259 4.184 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.728 2.417 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.803 1.885 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.554 -0.047 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.331 0.804 2.574 1.00 0.00 H new ATOM 1609 N SER A 107 10.796 2.854 1.895 1.00 0.00 N ATOM 1610 CA SER A 107 10.110 2.702 0.614 1.00 0.00 C ATOM 1611 C SER A 107 8.737 3.373 0.620 1.00 0.00 C ATOM 1612 O SER A 107 7.948 3.183 1.546 1.00 0.00 O ATOM 1613 CB SER A 107 9.961 1.218 0.270 1.00 0.00 C ATOM 1614 OG SER A 107 10.038 1.009 -1.129 1.00 0.00 O ATOM 0 H SER A 107 10.198 2.756 2.716 1.00 0.00 H new ATOM 0 HA SER A 107 10.718 3.195 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.742 0.645 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.006 0.849 0.644 1.00 0.00 H new ATOM 0 HG SER A 107 9.942 0.053 -1.323 1.00 0.00 H new ATOM 1620 N PRO A 108 8.427 4.161 -0.430 1.00 0.00 N ATOM 1621 CA PRO A 108 7.135 4.848 -0.551 1.00 0.00 C ATOM 1622 C PRO A 108 6.001 3.881 -0.867 1.00 0.00 C ATOM 1623 O PRO A 108 4.862 4.290 -1.088 1.00 0.00 O ATOM 1624 CB PRO A 108 7.357 5.814 -1.716 1.00 0.00 C ATOM 1625 CG PRO A 108 8.405 5.162 -2.547 1.00 0.00 C ATOM 1626 CD PRO A 108 9.305 4.434 -1.586 1.00 0.00 C ATOM 0 HA PRO A 108 6.842 5.341 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.439 5.968 -2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.682 6.793 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.961 4.472 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 108 8.964 5.901 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.695 3.513 -2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.165 5.041 -1.303 1.00 0.00 H new ATOM 1634 N GLU A 109 6.328 2.594 -0.888 1.00 0.00 N ATOM 1635 CA GLU A 109 5.346 1.554 -1.163 1.00 0.00 C ATOM 1636 C GLU A 109 5.371 0.496 -0.071 1.00 0.00 C ATOM 1637 O GLU A 109 4.472 -0.335 0.013 1.00 0.00 O ATOM 1638 CB GLU A 109 5.630 0.906 -2.518 1.00 0.00 C ATOM 1639 CG GLU A 109 5.622 1.890 -3.678 1.00 0.00 C ATOM 1640 CD GLU A 109 6.111 1.271 -4.973 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.051 0.030 -5.099 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.555 2.028 -5.862 1.00 0.00 O ATOM 0 H GLU A 109 7.271 2.245 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 109 4.357 2.012 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.601 0.412 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.886 0.132 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.610 2.269 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.251 2.745 -3.428 1.00 0.00 H new ATOM 1649 N SER A 110 6.407 0.526 0.762 1.00 0.00 N ATOM 1650 CA SER A 110 6.509 -0.413 1.868 1.00 0.00 C ATOM 1651 C SER A 110 5.590 0.025 2.990 1.00 0.00 C ATOM 1652 O SER A 110 4.791 -0.759 3.491 1.00 0.00 O ATOM 1653 CB SER A 110 7.946 -0.519 2.367 1.00 0.00 C ATOM 1654 OG SER A 110 8.607 -1.625 1.779 1.00 0.00 O ATOM 0 H SER A 110 7.181 1.186 0.691 1.00 0.00 H new ATOM 0 HA SER A 110 6.206 -1.400 1.517 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.485 0.399 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.951 -0.622 3.452 1.00 0.00 H new ATOM 0 HG SER A 110 9.554 -1.408 1.647 1.00 0.00 H new ATOM 1660 N LEU A 111 5.648 1.307 3.318 1.00 0.00 N ATOM 1661 CA LEU A 111 4.761 1.877 4.313 1.00 0.00 C ATOM 1662 C LEU A 111 3.331 1.420 4.036 1.00 0.00 C ATOM 1663 O LEU A 111 2.598 1.036 4.948 1.00 0.00 O ATOM 1664 CB LEU A 111 4.862 3.408 4.243 1.00 0.00 C ATOM 1665 CG LEU A 111 4.354 4.198 5.457 1.00 0.00 C ATOM 1666 CD1 LEU A 111 2.997 3.699 5.919 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.360 4.153 6.593 1.00 0.00 C ATOM 0 H LEU A 111 6.303 1.972 2.906 1.00 0.00 H new ATOM 0 HA LEU A 111 5.044 1.544 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.907 3.671 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.309 3.744 3.365 1.00 0.00 H new ATOM 0 HG LEU A 111 4.236 5.236 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.669 4.281 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.274 3.808 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.072 2.648 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.977 4.720 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.524 3.118 6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.303 4.589 6.262 1.00 0.00 H new ATOM 1679 N ARG A 112 2.969 1.397 2.760 1.00 0.00 N ATOM 1680 CA ARG A 112 1.632 0.998 2.355 1.00 0.00 C ATOM 1681 C ARG A 112 1.503 -0.522 2.252 1.00 0.00 C ATOM 1682 O ARG A 112 0.757 -1.133 3.011 1.00 0.00 O ATOM 1683 CB ARG A 112 1.278 1.663 1.026 1.00 0.00 C ATOM 1684 CG ARG A 112 0.356 0.839 0.150 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.252 1.676 -0.960 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.391 3.081 -0.580 1.00 0.00 N ATOM 1687 CZ ARG A 112 -0.275 4.094 -1.434 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -0.018 3.862 -2.714 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -0.416 5.342 -1.008 1.00 0.00 N ATOM 0 H ARG A 112 3.585 1.651 1.988 1.00 0.00 H new ATOM 0 HA ARG A 112 0.930 1.328 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.807 2.625 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.198 1.867 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.911 0.007 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.439 0.409 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.371 1.602 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.231 1.274 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.588 3.297 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.091 2.904 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.070 4.642 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.614 5.526 -0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.327 6.118 -1.664 1.00 0.00 H new ATOM 1703 N SER A 113 2.216 -1.121 1.300 1.00 0.00 N ATOM 1704 CA SER A 113 2.154 -2.565 1.084 1.00 0.00 C ATOM 1705 C SER A 113 2.278 -3.330 2.396 1.00 0.00 C ATOM 1706 O SER A 113 1.493 -4.237 2.672 1.00 0.00 O ATOM 1707 CB SER A 113 3.255 -3.011 0.119 1.00 0.00 C ATOM 1708 OG SER A 113 2.861 -2.818 -1.230 1.00 0.00 O ATOM 0 H SER A 113 2.844 -0.628 0.665 1.00 0.00 H new ATOM 0 HA SER A 113 1.181 -2.790 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.167 -2.449 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.486 -4.063 0.287 1.00 0.00 H new ATOM 0 HG SER A 113 3.582 -3.109 -1.826 1.00 0.00 H new ATOM 1714 N LYS A 114 3.263 -2.957 3.206 1.00 0.00 N ATOM 1715 CA LYS A 114 3.480 -3.609 4.491 1.00 0.00 C ATOM 1716 C LYS A 114 2.302 -3.369 5.426 1.00 0.00 C ATOM 1717 O LYS A 114 1.963 -4.234 6.231 1.00 0.00 O ATOM 1718 CB LYS A 114 4.775 -3.116 5.141 1.00 0.00 C ATOM 1719 CG LYS A 114 6.011 -3.355 4.290 1.00 0.00 C ATOM 1720 CD LYS A 114 6.390 -4.827 4.256 1.00 0.00 C ATOM 1721 CE LYS A 114 7.012 -5.213 2.924 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.488 -6.512 2.419 1.00 0.00 N ATOM 0 H LYS A 114 3.922 -2.208 2.995 1.00 0.00 H new ATOM 0 HA LYS A 114 3.568 -4.680 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.686 -2.049 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.903 -3.615 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.829 -3.002 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.844 -2.773 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.092 -5.041 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.504 -5.436 4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.812 -4.432 2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.094 -5.277 3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.938 -6.738 1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.701 -7.263 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.458 -6.444 2.289 1.00 0.00 H new ATOM 1736 N VAL A 115 1.674 -2.197 5.320 1.00 0.00 N ATOM 1737 CA VAL A 115 0.513 -1.889 6.149 1.00 0.00 C ATOM 1738 C VAL A 115 -0.674 -2.757 5.727 1.00 0.00 C ATOM 1739 O VAL A 115 -1.226 -3.499 6.538 1.00 0.00 O ATOM 1740 CB VAL A 115 0.141 -0.385 6.085 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.365 -0.176 6.080 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.761 0.362 7.256 1.00 0.00 C ATOM 0 H VAL A 115 1.947 -1.455 4.676 1.00 0.00 H new ATOM 0 HA VAL A 115 0.771 -2.113 7.184 1.00 0.00 H new ATOM 0 HB VAL A 115 0.538 0.010 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.584 0.891 6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.798 -0.673 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.794 -0.596 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.492 1.417 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.391 -0.057 8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.846 0.262 7.218 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.021 -2.699 4.441 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.107 -3.510 3.895 1.00 0.00 C ATOM 1754 C ASP A 116 -1.883 -4.984 4.213 1.00 0.00 C ATOM 1755 O ASP A 116 -2.826 -5.718 4.512 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.199 -3.306 2.379 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.166 -4.265 1.709 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -2.861 -5.474 1.649 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.220 -3.801 1.224 1.00 0.00 O ATOM 0 H ASP A 116 -0.563 -2.096 3.757 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.044 -3.195 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.511 -2.282 2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.209 -3.431 1.940 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.625 -5.409 4.152 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.269 -6.786 4.458 1.00 0.00 C ATOM 1766 C GLU A 117 -0.312 -7.016 5.960 1.00 0.00 C ATOM 1767 O GLU A 117 -0.624 -8.114 6.423 1.00 0.00 O ATOM 1768 CB GLU A 117 1.124 -7.110 3.916 1.00 0.00 C ATOM 1769 CG GLU A 117 1.112 -7.641 2.492 1.00 0.00 C ATOM 1770 CD GLU A 117 2.455 -7.494 1.803 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.778 -6.370 1.365 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.183 -8.505 1.700 1.00 0.00 O ATOM 0 H GLU A 117 0.164 -4.817 3.893 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.991 -7.447 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.739 -6.211 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.596 -7.847 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.827 -8.693 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.353 -7.111 1.917 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.010 -5.967 6.719 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.057 -6.048 8.171 1.00 0.00 C ATOM 1781 C ALA A 118 -1.498 -6.140 8.638 1.00 0.00 C ATOM 1782 O ALA A 118 -1.771 -6.604 9.741 1.00 0.00 O ATOM 1783 CB ALA A 118 0.640 -4.861 8.812 1.00 0.00 C ATOM 0 H ALA A 118 0.268 -5.056 6.353 1.00 0.00 H new ATOM 0 HA ALA A 118 0.474 -6.948 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.588 -4.951 9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.684 -4.840 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.149 -3.939 8.500 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.420 -5.703 7.784 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.835 -5.808 8.086 1.00 0.00 C ATOM 1791 C VAL A 119 -4.242 -7.262 8.092 1.00 0.00 C ATOM 1792 O VAL A 119 -4.887 -7.735 9.023 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.704 -5.069 7.071 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.141 -5.040 7.559 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.170 -3.668 6.831 1.00 0.00 C ATOM 0 H VAL A 119 -2.209 -5.275 6.882 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.989 -5.351 9.063 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.674 -5.596 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.761 -4.512 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.507 -6.060 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.189 -4.526 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.802 -3.157 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.172 -3.112 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.152 -3.728 6.447 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.846 -7.969 7.043 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.105 -9.391 6.949 1.00 0.00 C ATOM 1807 C ALA A 120 -3.471 -10.092 8.140 1.00 0.00 C ATOM 1808 O ALA A 120 -3.884 -11.181 8.539 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.547 -9.935 5.644 1.00 0.00 C ATOM 0 H ALA A 120 -3.344 -7.577 6.246 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.180 -9.573 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.746 -11.005 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.023 -9.427 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.471 -9.763 5.609 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.474 -9.426 8.714 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.771 -9.925 9.878 1.00 0.00 C ATOM 1817 C VAL A 121 -2.497 -9.515 11.156 1.00 0.00 C ATOM 1818 O VAL A 121 -2.507 -10.252 12.139 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.328 -9.389 9.905 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.322 -9.643 11.251 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.493 -10.007 8.784 1.00 0.00 C ATOM 0 H VAL A 121 -2.134 -8.524 8.380 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.744 -11.013 9.820 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.365 -8.311 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.340 -9.254 11.242 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.251 -9.143 12.032 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.344 -10.715 11.448 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.510 -9.616 8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.516 -11.090 8.905 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.042 -9.759 7.823 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.104 -8.331 11.127 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.853 -7.827 12.270 1.00 0.00 C ATOM 1833 C LEU A 122 -5.139 -8.628 12.432 1.00 0.00 C ATOM 1834 O LEU A 122 -5.546 -8.956 13.547 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.150 -6.329 12.092 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.628 -5.929 12.138 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.953 -5.266 13.467 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.965 -5.000 10.982 1.00 0.00 C ATOM 0 H LEU A 122 -3.090 -7.704 10.323 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.257 -7.944 13.175 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.620 -5.779 12.870 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.736 -6.008 11.136 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.235 -6.829 12.042 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.006 -4.987 13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.747 -5.962 14.281 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.339 -4.374 13.588 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.019 -4.726 11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.353 -4.100 11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.765 -5.507 10.038 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.749 -8.964 11.302 1.00 0.00 N ATOM 1851 CA GLN A 123 -6.960 -9.768 11.289 1.00 0.00 C ATOM 1852 C GLN A 123 -6.639 -11.197 11.713 1.00 0.00 C ATOM 1853 O GLN A 123 -7.477 -11.892 12.285 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.580 -9.759 9.889 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.150 -8.410 9.484 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.634 -8.469 9.184 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.364 -9.283 9.751 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.091 -7.602 8.288 1.00 0.00 N ATOM 0 H GLN A 123 -5.420 -8.688 10.377 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.676 -9.344 11.993 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.823 -10.056 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.373 -10.506 9.847 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.973 -7.691 10.284 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.620 -8.045 8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.451 -6.945 7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.082 -7.593 8.046 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.406 -11.616 11.436 1.00 0.00 N ATOM 1868 CA ALA A 124 -4.945 -12.951 11.797 1.00 0.00 C ATOM 1869 C ALA A 124 -4.351 -12.962 13.201 1.00 0.00 C ATOM 1870 O ALA A 124 -4.004 -14.017 13.731 1.00 0.00 O ATOM 1871 CB ALA A 124 -3.918 -13.440 10.787 1.00 0.00 C ATOM 0 H ALA A 124 -4.707 -11.046 10.960 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.803 -13.624 11.786 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.580 -14.438 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.370 -13.474 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.067 -12.759 10.775 1.00 0.00 H new