USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=18 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= -2.62! C(o=-2.8!,f=-5.5!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 147:sc= -0.16 (180deg=-1.1) USER MOD Set 2.1: A 98 ASN :FLIP amide:sc= 0.851 F(o=-0.31,f=0.85) USER MOD Set 2.2: A 99 SER OG : rot 180:sc= 0.00315 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.412 USER MOD Set 3.2: A 57 MET CE :methyl -175:sc= -1.65 (180deg=-1.75) USER MOD Single : A 56 SER OG : rot 180:sc= -1.16 USER MOD Single : A 60 SER OG : rot 64:sc= 0.0091 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl 174:sc= -1.87 (180deg=-2.09!) USER MOD Single : A 79 GLN : amide:sc= -0.0142 X(o=-0.014,f=-0.47) USER MOD Single : A 81 MET CE :methyl -136:sc= -0.696 (180deg=-2.41) USER MOD Single : A 82 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-9.4!) USER MOD Single : A 84 THR OG1 : rot -18:sc= 0.516 USER MOD Single : A 88 LYS NZ :NH3+ -122:sc= 0.387 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -99:sc= -2.07 USER MOD Single : A 92 MET CE :methyl -108:sc= -1.58 (180deg=-4.41!) USER MOD Single : A 104 MET CE :methyl -159:sc= -4.15! (180deg=-5.85!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -161:sc= -3.78! USER MOD Single : A 113 SER OG : rot 80:sc= 0.171 USER MOD Single : A 123 GLN :FLIP amide:sc= -1.01 F(o=-1.6,f=-1) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.788 9.324 3.543 1.00 0.00 N ATOM 766 CA LEU A 53 2.001 9.155 4.334 1.00 0.00 C ATOM 767 C LEU A 53 2.732 7.874 3.953 1.00 0.00 C ATOM 768 O LEU A 53 2.111 6.844 3.688 1.00 0.00 O ATOM 769 CB LEU A 53 1.669 9.133 5.827 1.00 0.00 C ATOM 770 CG LEU A 53 2.473 10.111 6.686 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.552 10.891 7.608 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.524 9.372 7.495 1.00 0.00 C ATOM 0 HA LEU A 53 2.653 10.003 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.608 9.352 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.832 8.124 6.205 1.00 0.00 H new ATOM 0 HG LEU A 53 2.977 10.813 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.141 11.582 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.832 11.452 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.021 10.199 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.085 10.085 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.038 8.647 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.205 8.853 6.820 1.00 0.00 H new ATOM 784 N THR A 54 4.056 7.953 3.924 1.00 0.00 N ATOM 785 CA THR A 54 4.896 6.810 3.601 1.00 0.00 C ATOM 786 C THR A 54 6.345 7.131 3.928 1.00 0.00 C ATOM 787 O THR A 54 6.630 8.144 4.563 1.00 0.00 O ATOM 788 CB THR A 54 4.763 6.427 2.125 1.00 0.00 C ATOM 789 OG1 THR A 54 3.886 7.313 1.449 1.00 0.00 O ATOM 790 CG2 THR A 54 4.248 5.019 1.919 1.00 0.00 C ATOM 0 H THR A 54 4.575 8.808 4.123 1.00 0.00 H new ATOM 0 HA THR A 54 4.567 5.961 4.200 1.00 0.00 H new ATOM 0 HB THR A 54 5.772 6.491 1.718 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.817 7.050 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.177 4.810 0.852 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.933 4.309 2.383 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.262 4.922 2.374 1.00 0.00 H new ATOM 798 N ALA A 55 7.258 6.278 3.484 1.00 0.00 N ATOM 799 CA ALA A 55 8.674 6.478 3.753 1.00 0.00 C ATOM 800 C ALA A 55 9.133 7.866 3.319 1.00 0.00 C ATOM 801 O ALA A 55 9.929 8.507 4.005 1.00 0.00 O ATOM 802 CB ALA A 55 9.500 5.412 3.063 1.00 0.00 C ATOM 0 H ALA A 55 7.044 5.444 2.938 1.00 0.00 H new ATOM 0 HA ALA A 55 8.822 6.398 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.557 5.577 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.205 4.429 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.333 5.462 1.987 1.00 0.00 H new ATOM 808 N SER A 56 8.639 8.319 2.170 1.00 0.00 N ATOM 809 CA SER A 56 8.999 9.633 1.649 1.00 0.00 C ATOM 810 C SER A 56 8.616 10.728 2.637 1.00 0.00 C ATOM 811 O SER A 56 9.439 11.569 2.999 1.00 0.00 O ATOM 812 CB SER A 56 8.314 9.881 0.304 1.00 0.00 C ATOM 813 OG SER A 56 8.278 8.700 -0.477 1.00 0.00 O ATOM 0 H SER A 56 7.989 7.796 1.583 1.00 0.00 H new ATOM 0 HA SER A 56 10.079 9.656 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.299 10.241 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.845 10.663 -0.239 1.00 0.00 H new ATOM 0 HG SER A 56 7.834 8.886 -1.330 1.00 0.00 H new ATOM 819 N MET A 57 7.361 10.703 3.077 1.00 0.00 N ATOM 820 CA MET A 57 6.867 11.679 4.040 1.00 0.00 C ATOM 821 C MET A 57 7.694 11.625 5.319 1.00 0.00 C ATOM 822 O MET A 57 7.993 12.653 5.926 1.00 0.00 O ATOM 823 CB MET A 57 5.398 11.404 4.368 1.00 0.00 C ATOM 824 CG MET A 57 4.417 11.821 3.278 1.00 0.00 C ATOM 825 SD MET A 57 5.206 12.140 1.686 1.00 0.00 S ATOM 826 CE MET A 57 4.858 10.609 0.825 1.00 0.00 C ATOM 0 H MET A 57 6.668 10.016 2.781 1.00 0.00 H new ATOM 0 HA MET A 57 6.955 12.672 3.599 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.275 10.338 4.561 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.141 11.926 5.290 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.669 11.038 3.154 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.888 12.718 3.599 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.357 10.615 -0.144 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.222 9.768 1.416 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.782 10.511 0.678 1.00 0.00 H new ATOM 836 N LEU A 58 8.056 10.411 5.717 1.00 0.00 N ATOM 837 CA LEU A 58 8.854 10.196 6.915 1.00 0.00 C ATOM 838 C LEU A 58 10.225 10.845 6.778 1.00 0.00 C ATOM 839 O LEU A 58 10.727 11.472 7.711 1.00 0.00 O ATOM 840 CB LEU A 58 9.016 8.698 7.160 1.00 0.00 C ATOM 841 CG LEU A 58 7.707 7.919 7.286 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.945 6.438 7.032 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.081 8.144 8.654 1.00 0.00 C ATOM 0 H LEU A 58 7.806 9.555 5.222 1.00 0.00 H new ATOM 0 HA LEU A 58 8.340 10.654 7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.598 8.272 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.596 8.555 8.072 1.00 0.00 H new ATOM 0 HG LEU A 58 7.010 8.285 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.003 5.897 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.344 6.301 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.658 6.054 7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.150 7.582 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.769 7.806 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.875 9.206 8.790 1.00 0.00 H new ATOM 855 N ALA A 59 10.825 10.683 5.604 1.00 0.00 N ATOM 856 CA ALA A 59 12.142 11.244 5.328 1.00 0.00 C ATOM 857 C ALA A 59 12.110 12.767 5.367 1.00 0.00 C ATOM 858 O ALA A 59 13.151 13.417 5.462 1.00 0.00 O ATOM 859 CB ALA A 59 12.653 10.759 3.980 1.00 0.00 C ATOM 0 H ALA A 59 10.418 10.165 4.825 1.00 0.00 H new ATOM 0 HA ALA A 59 12.824 10.901 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.637 11.187 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.725 9.671 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.963 11.071 3.196 1.00 0.00 H new ATOM 865 N SER A 60 10.909 13.331 5.290 1.00 0.00 N ATOM 866 CA SER A 60 10.741 14.779 5.324 1.00 0.00 C ATOM 867 C SER A 60 10.955 15.314 6.736 1.00 0.00 C ATOM 868 O SER A 60 10.993 16.526 6.953 1.00 0.00 O ATOM 869 CB SER A 60 9.346 15.165 4.828 1.00 0.00 C ATOM 870 OG SER A 60 9.190 14.855 3.453 1.00 0.00 O ATOM 0 H SER A 60 10.038 12.807 5.204 1.00 0.00 H new ATOM 0 HA SER A 60 11.488 15.223 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.591 14.638 5.411 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.183 16.231 4.985 1.00 0.00 H new ATOM 0 HG SER A 60 9.250 13.885 3.328 1.00 0.00 H new ATOM 876 N ALA A 61 11.100 14.401 7.692 1.00 0.00 N ATOM 877 CA ALA A 61 11.310 14.776 9.086 1.00 0.00 C ATOM 878 C ALA A 61 12.449 13.969 9.715 1.00 0.00 C ATOM 879 O ALA A 61 12.245 13.265 10.704 1.00 0.00 O ATOM 880 CB ALA A 61 10.024 14.580 9.877 1.00 0.00 C ATOM 0 H ALA A 61 11.076 13.395 7.526 1.00 0.00 H new ATOM 0 HA ALA A 61 11.592 15.828 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.190 14.862 10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.237 15.204 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.723 13.533 9.829 1.00 0.00 H new ATOM 946 N GLN A 66 10.498 10.900 11.666 1.00 0.00 N ATOM 947 CA GLN A 66 11.171 9.815 10.949 1.00 0.00 C ATOM 948 C GLN A 66 10.796 8.466 11.553 1.00 0.00 C ATOM 949 O GLN A 66 10.154 7.640 10.903 1.00 0.00 O ATOM 950 CB GLN A 66 12.691 10.002 10.962 1.00 0.00 C ATOM 951 CG GLN A 66 13.298 10.136 9.575 1.00 0.00 C ATOM 952 CD GLN A 66 14.668 9.498 9.472 1.00 0.00 C ATOM 953 OE1 GLN A 66 14.900 8.632 8.628 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.586 9.923 10.332 1.00 0.00 N ATOM 0 HA GLN A 66 10.838 9.840 9.911 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.935 10.891 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.149 9.153 11.470 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.632 9.676 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.373 11.192 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.350 10.643 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.527 9.530 10.310 1.00 0.00 H new ATOM 963 N LYS A 67 11.170 8.264 12.810 1.00 0.00 N ATOM 964 CA LYS A 67 10.856 7.032 13.516 1.00 0.00 C ATOM 965 C LYS A 67 9.801 7.274 14.589 1.00 0.00 C ATOM 966 O LYS A 67 9.710 6.528 15.564 1.00 0.00 O ATOM 967 CB LYS A 67 12.114 6.444 14.147 1.00 0.00 C ATOM 968 CG LYS A 67 13.008 7.482 14.808 1.00 0.00 C ATOM 969 CD LYS A 67 14.196 6.834 15.501 1.00 0.00 C ATOM 970 CE LYS A 67 15.511 7.428 15.022 1.00 0.00 C ATOM 971 NZ LYS A 67 16.633 7.115 15.949 1.00 0.00 N ATOM 0 H LYS A 67 11.694 8.943 13.363 1.00 0.00 H new ATOM 0 HA LYS A 67 10.457 6.322 12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.824 5.701 14.890 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.685 5.921 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.364 8.188 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.429 8.053 15.534 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.107 6.967 16.579 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.189 5.761 15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.743 7.043 14.029 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.408 8.509 14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.511 7.538 15.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.424 7.504 16.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.748 6.084 16.019 1.00 0.00 H new ATOM 985 N GLN A 68 8.994 8.311 14.392 1.00 0.00 N ATOM 986 CA GLN A 68 7.932 8.642 15.334 1.00 0.00 C ATOM 987 C GLN A 68 6.573 8.631 14.643 1.00 0.00 C ATOM 988 O GLN A 68 5.628 8.003 15.119 1.00 0.00 O ATOM 989 CB GLN A 68 8.183 10.014 15.961 1.00 0.00 C ATOM 990 CG GLN A 68 9.541 10.139 16.634 1.00 0.00 C ATOM 991 CD GLN A 68 9.430 10.415 18.121 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.268 9.496 18.925 1.00 0.00 O ATOM 993 NE2 GLN A 68 9.514 11.687 18.495 1.00 0.00 N ATOM 0 H GLN A 68 9.055 8.936 13.589 1.00 0.00 H new ATOM 0 HA GLN A 68 7.930 7.887 16.120 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.099 10.778 15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.403 10.216 16.695 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.105 9.219 16.480 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.105 10.942 16.160 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.648 12.417 17.795 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.444 11.934 19.482 1.00 0.00 H new ATOM 1002 N MET A 69 6.484 9.338 13.521 1.00 0.00 N ATOM 1003 CA MET A 69 5.237 9.434 12.770 1.00 0.00 C ATOM 1004 C MET A 69 5.011 8.212 11.881 1.00 0.00 C ATOM 1005 O MET A 69 4.066 8.181 11.094 1.00 0.00 O ATOM 1006 CB MET A 69 5.233 10.705 11.918 1.00 0.00 C ATOM 1007 CG MET A 69 6.330 10.739 10.866 1.00 0.00 C ATOM 1008 SD MET A 69 5.735 11.321 9.266 1.00 0.00 S ATOM 1009 CE MET A 69 6.952 12.581 8.888 1.00 0.00 C ATOM 0 H MET A 69 7.262 9.854 13.111 1.00 0.00 H new ATOM 0 HA MET A 69 4.422 9.474 13.492 1.00 0.00 H new ATOM 0 HB2 MET A 69 4.266 10.798 11.424 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.342 11.570 12.572 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.137 11.388 11.208 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.751 9.740 10.752 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.782 12.960 7.880 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.863 13.399 9.603 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.952 12.151 8.950 1.00 0.00 H new ATOM 1019 N LEU A 70 5.878 7.210 12.000 1.00 0.00 N ATOM 1020 CA LEU A 70 5.744 5.997 11.196 1.00 0.00 C ATOM 1021 C LEU A 70 4.478 5.235 11.568 1.00 0.00 C ATOM 1022 O LEU A 70 3.635 4.958 10.718 1.00 0.00 O ATOM 1023 CB LEU A 70 6.959 5.068 11.346 1.00 0.00 C ATOM 1024 CG LEU A 70 7.969 5.421 12.446 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.299 5.525 13.807 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.072 4.377 12.491 1.00 0.00 C ATOM 0 H LEU A 70 6.673 7.212 12.638 1.00 0.00 H new ATOM 0 HA LEU A 70 5.684 6.317 10.156 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.593 4.058 11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.488 5.045 10.394 1.00 0.00 H new ATOM 0 HG LEU A 70 8.397 6.395 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.045 5.776 14.561 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.536 6.302 13.778 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.836 4.571 14.058 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.785 4.635 13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.639 3.399 12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.584 4.347 11.529 1.00 0.00 H new ATOM 1038 N GLY A 71 4.362 4.877 12.839 1.00 0.00 N ATOM 1039 CA GLY A 71 3.192 4.155 13.296 1.00 0.00 C ATOM 1040 C GLY A 71 2.355 4.987 14.246 1.00 0.00 C ATOM 1041 O GLY A 71 1.746 4.458 15.177 1.00 0.00 O ATOM 0 H GLY A 71 5.056 5.073 13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.586 3.863 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.503 3.237 13.794 1.00 0.00 H new ATOM 1045 N GLU A 72 2.333 6.296 14.010 1.00 0.00 N ATOM 1046 CA GLU A 72 1.591 7.216 14.863 1.00 0.00 C ATOM 1047 C GLU A 72 0.981 8.355 14.051 1.00 0.00 C ATOM 1048 O GLU A 72 0.227 9.173 14.579 1.00 0.00 O ATOM 1049 CB GLU A 72 2.523 7.760 15.954 1.00 0.00 C ATOM 1050 CG GLU A 72 2.900 9.231 15.807 1.00 0.00 C ATOM 1051 CD GLU A 72 2.652 10.027 17.072 1.00 0.00 C ATOM 1052 OE1 GLU A 72 1.669 9.725 17.782 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.439 10.955 17.353 1.00 0.00 O ATOM 0 H GLU A 72 2.821 6.743 13.234 1.00 0.00 H new ATOM 0 HA GLU A 72 0.767 6.676 15.330 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.044 7.618 16.923 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.437 7.165 15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.953 9.307 15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.328 9.669 14.989 1.00 0.00 H new ATOM 1060 N ARG A 73 1.277 8.381 12.755 1.00 0.00 N ATOM 1061 CA ARG A 73 0.754 9.419 11.879 1.00 0.00 C ATOM 1062 C ARG A 73 0.035 8.801 10.690 1.00 0.00 C ATOM 1063 O ARG A 73 -0.884 9.400 10.134 1.00 0.00 O ATOM 1064 CB ARG A 73 1.880 10.332 11.392 1.00 0.00 C ATOM 1065 CG ARG A 73 1.394 11.696 10.930 1.00 0.00 C ATOM 1066 CD ARG A 73 1.859 12.799 11.866 1.00 0.00 C ATOM 1067 NE ARG A 73 0.987 13.969 11.807 1.00 0.00 N ATOM 1068 CZ ARG A 73 0.516 14.592 12.883 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.833 14.160 14.096 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.273 15.648 12.746 1.00 0.00 N ATOM 0 H ARG A 73 1.874 7.697 12.291 1.00 0.00 H new ATOM 0 HA ARG A 73 0.042 10.016 12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.603 10.466 12.197 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.404 9.844 10.570 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.762 11.893 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.305 11.697 10.877 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.888 12.420 12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.876 13.091 11.605 1.00 0.00 H new ATOM 0 HE ARG A 73 0.725 14.328 10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.440 13.348 14.206 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.470 14.640 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.519 15.983 11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.634 16.125 13.572 1.00 0.00 H new ATOM 1084 N LEU A 74 0.425 7.583 10.327 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.216 6.874 9.249 1.00 0.00 C ATOM 1086 C LEU A 74 -1.673 6.583 9.569 1.00 0.00 C ATOM 1087 O LEU A 74 -2.504 6.491 8.673 1.00 0.00 O ATOM 1088 CB LEU A 74 0.498 5.552 9.057 1.00 0.00 C ATOM 1089 CG LEU A 74 1.514 5.500 7.937 1.00 0.00 C ATOM 1090 CD1 LEU A 74 0.908 6.011 6.637 1.00 0.00 C ATOM 1091 CD2 LEU A 74 2.777 6.260 8.298 1.00 0.00 C ATOM 0 H LEU A 74 1.187 7.073 10.773 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.170 7.491 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.002 5.296 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.251 4.781 8.877 1.00 0.00 H new ATOM 0 HG LEU A 74 1.798 4.458 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.655 5.965 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.053 5.392 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.581 7.043 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.485 6.202 7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.531 7.304 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.224 5.821 9.190 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.944 6.358 10.852 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.272 5.957 11.318 1.00 0.00 C ATOM 1105 C PHE A 75 -4.412 6.676 10.586 1.00 0.00 C ATOM 1106 O PHE A 75 -5.257 6.019 9.975 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.394 6.164 12.833 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.726 5.743 13.390 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.317 4.555 12.988 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.387 6.538 14.312 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.545 4.171 13.495 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.612 6.157 14.825 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.190 4.972 14.416 1.00 0.00 C ATOM 0 H PHE A 75 -1.253 6.448 11.597 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.374 4.897 11.086 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.606 5.602 13.333 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.229 7.217 13.062 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.813 3.923 12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.939 7.467 14.634 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.999 3.246 13.171 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.116 6.785 15.545 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.147 4.671 14.817 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.490 8.022 10.649 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.569 8.768 9.987 1.00 0.00 C ATOM 1125 C PRO A 76 -5.620 8.504 8.486 1.00 0.00 C ATOM 1126 O PRO A 76 -6.639 8.742 7.837 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.219 10.235 10.258 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.326 10.204 11.450 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.554 8.920 11.349 1.00 0.00 C ATOM 0 HA PRO A 76 -6.549 8.476 10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.718 10.686 9.401 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.115 10.825 10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.656 11.064 11.459 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.904 10.241 12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.627 9.050 10.791 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.283 8.534 12.332 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.513 8.009 7.942 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.409 7.748 6.516 1.00 0.00 C ATOM 1139 C LEU A 77 -4.645 6.274 6.176 1.00 0.00 C ATOM 1140 O LEU A 77 -5.044 5.953 5.057 1.00 0.00 O ATOM 1141 CB LEU A 77 -3.031 8.190 6.019 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.990 9.535 5.278 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -4.045 10.494 5.818 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.608 10.155 5.394 1.00 0.00 C ATOM 0 H LEU A 77 -3.673 7.780 8.473 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.189 8.320 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.358 8.247 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.640 7.419 5.356 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.210 9.349 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.992 11.437 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.035 10.056 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.864 10.675 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.591 11.108 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.370 10.319 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.870 9.483 4.955 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.382 5.376 7.127 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.580 3.947 6.886 1.00 0.00 C ATOM 1158 C ILE A 78 -6.058 3.638 6.686 1.00 0.00 C ATOM 1159 O ILE A 78 -6.424 2.826 5.838 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.052 3.069 8.032 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.658 3.524 8.471 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.036 1.610 7.601 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.549 3.077 7.545 1.00 0.00 C ATOM 0 H ILE A 78 -4.036 5.608 8.058 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.012 3.712 5.986 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.719 3.173 8.888 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.646 4.612 8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.459 3.140 9.472 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.661 0.993 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.047 1.295 7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.388 1.494 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.592 3.438 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.533 1.988 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.722 3.482 6.548 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.901 4.291 7.484 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.348 4.121 7.389 1.00 0.00 C ATOM 1177 C GLN A 79 -8.816 4.317 5.951 1.00 0.00 C ATOM 1178 O GLN A 79 -9.910 3.901 5.573 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.050 5.129 8.298 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.374 4.588 9.682 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.532 5.688 10.714 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.828 6.835 10.376 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.336 5.343 11.980 1.00 0.00 N ATOM 0 H GLN A 79 -6.604 4.946 8.207 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.599 3.109 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.418 6.011 8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.974 5.453 7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.293 4.004 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.582 3.909 9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.092 4.381 12.214 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.429 6.040 12.719 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.975 4.972 5.165 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.263 5.226 3.759 1.00 0.00 C ATOM 1194 C ALA A 80 -7.914 4.010 2.905 1.00 0.00 C ATOM 1195 O ALA A 80 -8.607 3.702 1.935 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.497 6.447 3.278 1.00 0.00 C ATOM 0 H ALA A 80 -7.078 5.341 5.480 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.331 5.418 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.721 6.626 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.793 7.317 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.427 6.276 3.397 1.00 0.00 H new ATOM 1202 N MET A 81 -6.831 3.328 3.269 1.00 0.00 N ATOM 1203 CA MET A 81 -6.393 2.141 2.540 1.00 0.00 C ATOM 1204 C MET A 81 -7.307 0.961 2.838 1.00 0.00 C ATOM 1205 O MET A 81 -7.560 0.119 1.975 1.00 0.00 O ATOM 1206 CB MET A 81 -4.953 1.783 2.916 1.00 0.00 C ATOM 1207 CG MET A 81 -4.075 2.990 3.198 1.00 0.00 C ATOM 1208 SD MET A 81 -2.500 2.926 2.323 1.00 0.00 S ATOM 1209 CE MET A 81 -1.390 2.484 3.659 1.00 0.00 C ATOM 0 H MET A 81 -6.241 3.577 4.063 1.00 0.00 H new ATOM 0 HA MET A 81 -6.439 2.363 1.474 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.966 1.141 3.797 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.509 1.204 2.106 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.608 3.897 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.888 3.055 4.270 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.489 3.094 3.600 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.884 2.658 4.615 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.121 1.431 3.575 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.795 0.908 4.071 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.679 -0.164 4.508 1.00 0.00 C ATOM 1221 C HIS A 82 -9.915 0.407 5.194 1.00 0.00 C ATOM 1222 O HIS A 82 -9.835 1.447 5.839 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.938 -1.086 5.474 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.255 -2.236 4.803 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.459 -3.528 5.216 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.380 -2.235 3.768 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.718 -4.283 4.426 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -6.039 -3.543 3.540 1.00 0.00 N ATOM 0 H HIS A 82 -7.591 1.601 4.791 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.994 -0.731 3.632 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.197 -0.504 6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.645 -1.473 6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.021 -1.371 3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.666 -5.360 4.487 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.392 -3.887 2.831 1.00 0.00 H new ATOM 1236 N PRO A 83 -11.074 -0.272 5.077 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.325 0.185 5.701 1.00 0.00 C ATOM 1238 C PRO A 83 -12.181 0.393 7.206 1.00 0.00 C ATOM 1239 O PRO A 83 -12.581 -0.457 8.002 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.311 -0.949 5.407 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.755 -1.638 4.208 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.261 -1.526 4.324 1.00 0.00 C ATOM 0 HA PRO A 83 -12.643 1.152 5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.392 -1.632 6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.311 -0.562 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.067 -2.682 4.178 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.111 -1.172 3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.833 -2.379 4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.783 -1.483 3.345 1.00 0.00 H new ATOM 1250 N THR A 84 -11.603 1.533 7.583 1.00 0.00 N ATOM 1251 CA THR A 84 -11.386 1.877 8.986 1.00 0.00 C ATOM 1252 C THR A 84 -10.873 0.678 9.785 1.00 0.00 C ATOM 1253 O THR A 84 -11.248 0.486 10.942 1.00 0.00 O ATOM 1254 CB THR A 84 -12.682 2.403 9.609 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.601 1.346 9.819 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.373 3.451 8.763 1.00 0.00 C ATOM 0 H THR A 84 -11.273 2.241 6.927 1.00 0.00 H new ATOM 0 HA THR A 84 -10.625 2.657 9.022 1.00 0.00 H new ATOM 0 HB THR A 84 -12.383 2.861 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.340 0.573 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.284 3.780 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.708 4.303 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.626 3.026 7.792 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.015 -0.123 9.160 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.461 -1.306 9.810 1.00 0.00 C ATOM 1266 C LEU A 85 -8.100 -1.006 10.428 1.00 0.00 C ATOM 1267 O LEU A 85 -7.376 -1.917 10.834 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.334 -2.451 8.805 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.600 -3.288 8.614 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.570 -4.000 7.270 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.754 -4.289 9.747 1.00 0.00 C ATOM 0 H LEU A 85 -9.689 0.025 8.205 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.143 -1.602 10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.042 -2.037 7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.527 -3.109 9.127 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.461 -2.619 8.629 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.478 -4.591 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.509 -3.263 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.701 -4.657 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.660 -4.875 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.890 -4.954 9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.822 -3.757 10.696 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.766 0.278 10.511 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.491 0.709 11.077 1.00 0.00 C ATOM 1285 C ALA A 86 -6.494 0.617 12.601 1.00 0.00 C ATOM 1286 O ALA A 86 -5.723 1.302 13.274 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.179 2.129 10.630 1.00 0.00 C ATOM 0 H ALA A 86 -8.363 1.041 10.192 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.714 0.039 10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.226 2.444 11.056 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.119 2.163 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.968 2.799 10.971 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.350 -0.247 13.140 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.431 -0.418 14.580 1.00 0.00 C ATOM 1295 C GLY A 87 -6.114 -0.857 15.192 1.00 0.00 C ATOM 1296 O GLY A 87 -5.906 -0.715 16.397 1.00 0.00 O ATOM 0 H GLY A 87 -7.990 -0.833 12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.744 0.521 15.036 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.199 -1.156 14.812 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.225 -1.395 14.360 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.921 -1.849 14.827 1.00 0.00 C ATOM 1302 C LYS A 88 -3.002 -2.171 13.654 1.00 0.00 C ATOM 1303 O LYS A 88 -2.176 -3.078 13.730 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.068 -3.085 15.721 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.779 -3.495 16.421 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.222 -2.370 17.276 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.746 -2.141 16.995 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.053 -1.493 18.143 1.00 0.00 N ATOM 0 H LYS A 88 -5.385 -1.526 13.361 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.477 -1.040 15.407 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.832 -2.889 16.473 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.423 -3.919 15.116 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.966 -4.368 17.046 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.038 -3.788 15.677 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.778 -1.453 17.081 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.361 -2.609 18.330 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.267 -3.095 16.774 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.638 -1.517 16.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.379 -0.600 17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.741 -1.298 18.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.688 -2.127 18.504 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.163 -1.452 12.553 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.319 -1.677 11.397 1.00 0.00 C ATOM 1324 C ILE A 89 -0.970 -0.981 11.564 1.00 0.00 C ATOM 1325 O ILE A 89 -0.042 -1.548 12.137 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.982 -1.211 10.096 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.353 -1.873 9.940 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.078 -1.548 8.924 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.159 -1.343 8.776 1.00 0.00 C ATOM 0 H ILE A 89 -3.862 -0.718 12.439 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.164 -2.754 11.328 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.131 -0.132 10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.215 -2.947 9.815 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.922 -1.729 10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.546 -1.218 7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.120 -1.043 9.046 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.918 -2.625 8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.117 -1.861 8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.330 -0.275 8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.612 -1.511 7.848 1.00 0.00 H new ATOM 1341 N THR A 90 -0.879 0.251 11.069 1.00 0.00 N ATOM 1342 CA THR A 90 0.345 1.042 11.164 1.00 0.00 C ATOM 1343 C THR A 90 0.866 1.075 12.594 1.00 0.00 C ATOM 1344 O THR A 90 2.073 1.012 12.825 1.00 0.00 O ATOM 1345 CB THR A 90 0.066 2.458 10.663 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.753 2.691 9.446 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.454 3.556 11.632 1.00 0.00 C ATOM 0 H THR A 90 -1.646 0.726 10.594 1.00 0.00 H new ATOM 0 HA THR A 90 1.114 0.581 10.545 1.00 0.00 H new ATOM 0 HB THR A 90 -1.016 2.502 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.579 3.187 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.221 4.527 11.194 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.102 3.434 12.562 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.523 3.498 11.838 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.047 1.205 13.550 1.00 0.00 N ATOM 1356 CA GLY A 91 0.352 1.218 14.941 1.00 0.00 C ATOM 1357 C GLY A 91 1.157 -0.013 15.284 1.00 0.00 C ATOM 1358 O GLY A 91 2.068 0.035 16.112 1.00 0.00 O ATOM 0 H GLY A 91 -1.049 1.301 13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.942 2.111 15.146 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.532 1.267 15.576 1.00 0.00 H new ATOM 1362 N MET A 92 0.848 -1.111 14.605 1.00 0.00 N ATOM 1363 CA MET A 92 1.548 -2.358 14.815 1.00 0.00 C ATOM 1364 C MET A 92 2.811 -2.394 13.977 1.00 0.00 C ATOM 1365 O MET A 92 3.767 -3.090 14.308 1.00 0.00 O ATOM 1366 CB MET A 92 0.614 -3.517 14.473 1.00 0.00 C ATOM 1367 CG MET A 92 1.237 -4.607 13.649 1.00 0.00 C ATOM 1368 SD MET A 92 0.565 -4.683 11.984 1.00 0.00 S ATOM 1369 CE MET A 92 -0.540 -6.077 12.155 1.00 0.00 C ATOM 0 H MET A 92 0.111 -1.156 13.901 1.00 0.00 H new ATOM 0 HA MET A 92 1.846 -2.449 15.860 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.241 -3.951 15.401 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.249 -3.123 13.936 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.314 -4.447 13.595 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.082 -5.566 14.144 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.129 -6.934 11.622 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.652 -6.325 13.210 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.514 -5.823 11.737 1.00 0.00 H new ATOM 1379 N LEU A 93 2.828 -1.586 12.922 1.00 0.00 N ATOM 1380 CA LEU A 93 3.992 -1.483 12.058 1.00 0.00 C ATOM 1381 C LEU A 93 5.184 -0.953 12.843 1.00 0.00 C ATOM 1382 O LEU A 93 6.298 -0.870 12.327 1.00 0.00 O ATOM 1383 CB LEU A 93 3.688 -0.574 10.874 1.00 0.00 C ATOM 1384 CG LEU A 93 3.083 -1.273 9.651 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.095 -2.222 9.026 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.814 -2.018 10.029 1.00 0.00 C ATOM 0 H LEU A 93 2.045 -0.993 12.647 1.00 0.00 H new ATOM 0 HA LEU A 93 4.239 -2.475 11.680 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.002 0.206 11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.611 -0.080 10.570 1.00 0.00 H new ATOM 0 HG LEU A 93 2.823 -0.512 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.649 -2.710 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.976 -1.661 8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.386 -2.976 9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.402 -2.506 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.044 -2.769 10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.084 -1.314 10.428 1.00 0.00 H new ATOM 1398 N LEU A 94 4.940 -0.603 14.100 1.00 0.00 N ATOM 1399 CA LEU A 94 5.998 -0.160 14.989 1.00 0.00 C ATOM 1400 C LEU A 94 6.293 -1.261 15.999 1.00 0.00 C ATOM 1401 O LEU A 94 6.767 -1.002 17.105 1.00 0.00 O ATOM 1402 CB LEU A 94 5.587 1.127 15.706 1.00 0.00 C ATOM 1403 CG LEU A 94 6.184 2.417 15.132 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.051 2.443 13.614 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.509 3.627 15.758 1.00 0.00 C ATOM 0 H LEU A 94 4.013 -0.619 14.525 1.00 0.00 H new ATOM 0 HA LEU A 94 6.897 0.049 14.409 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.500 1.206 15.680 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.876 1.048 16.754 1.00 0.00 H new ATOM 0 HG LEU A 94 7.246 2.450 15.374 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.481 3.367 13.227 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.580 1.590 13.188 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.997 2.390 13.340 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.940 4.539 15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.441 3.600 15.542 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.662 3.611 16.837 1.00 0.00 H new ATOM 1417 N GLU A 95 5.969 -2.495 15.610 1.00 0.00 N ATOM 1418 CA GLU A 95 6.164 -3.652 16.473 1.00 0.00 C ATOM 1419 C GLU A 95 6.025 -4.962 15.694 1.00 0.00 C ATOM 1420 O GLU A 95 6.180 -6.042 16.262 1.00 0.00 O ATOM 1421 CB GLU A 95 5.157 -3.624 17.628 1.00 0.00 C ATOM 1422 CG GLU A 95 3.760 -4.080 17.232 1.00 0.00 C ATOM 1423 CD GLU A 95 2.838 -4.239 18.426 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.322 -4.655 19.499 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.632 -3.946 18.287 1.00 0.00 O ATOM 0 H GLU A 95 5.569 -2.715 14.698 1.00 0.00 H new ATOM 0 HA GLU A 95 7.177 -3.602 16.873 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.523 -4.261 18.433 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.100 -2.610 18.024 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.329 -3.358 16.538 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.829 -5.030 16.702 1.00 0.00 H new ATOM 1432 N ILE A 96 5.773 -4.863 14.386 1.00 0.00 N ATOM 1433 CA ILE A 96 5.614 -6.056 13.546 1.00 0.00 C ATOM 1434 C ILE A 96 6.892 -6.890 13.498 1.00 0.00 C ATOM 1435 O ILE A 96 7.718 -6.856 14.410 1.00 0.00 O ATOM 1436 CB ILE A 96 5.247 -5.705 12.084 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.394 -4.957 11.394 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.956 -4.912 12.001 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.748 -3.636 12.025 1.00 0.00 C ATOM 0 H ILE A 96 5.675 -3.978 13.888 1.00 0.00 H new ATOM 0 HA ILE A 96 4.804 -6.620 14.008 1.00 0.00 H new ATOM 0 HB ILE A 96 5.086 -6.645 11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.278 -5.594 11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.125 -4.787 10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.734 -4.686 10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.141 -5.498 12.427 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.064 -3.982 12.559 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.568 -3.177 11.473 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.880 -2.977 12.000 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.052 -3.797 13.059 1.00 0.00 H new ATOM 1451 N ASP A 97 7.056 -7.610 12.388 1.00 0.00 N ATOM 1452 CA ASP A 97 8.231 -8.429 12.145 1.00 0.00 C ATOM 1453 C ASP A 97 9.504 -7.585 12.160 1.00 0.00 C ATOM 1454 O ASP A 97 10.605 -8.111 12.007 1.00 0.00 O ATOM 1455 CB ASP A 97 8.085 -9.120 10.789 1.00 0.00 C ATOM 1456 CG ASP A 97 8.848 -10.428 10.713 1.00 0.00 C ATOM 1457 OD1 ASP A 97 9.700 -10.672 11.592 1.00 0.00 O ATOM 1458 OD2 ASP A 97 8.594 -11.209 9.772 1.00 0.00 O ATOM 0 H ASP A 97 6.371 -7.638 11.632 1.00 0.00 H new ATOM 0 HA ASP A 97 8.310 -9.172 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.029 -9.308 10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.440 -8.451 10.005 1.00 0.00 H new ATOM 1463 N ASN A 98 9.327 -6.270 12.318 1.00 0.00 N ATOM 1464 CA ASN A 98 10.435 -5.316 12.353 1.00 0.00 C ATOM 1465 C ASN A 98 10.929 -4.994 10.952 1.00 0.00 C ATOM 1466 O ASN A 98 11.350 -3.872 10.673 1.00 0.00 O ATOM 1467 CB ASN A 98 11.587 -5.837 13.219 1.00 0.00 C ATOM 1468 CG ASN A 98 12.862 -6.075 12.432 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.791 -5.128 12.509 1.00 0.00 O flip ATOM 1470 ND2 ASN A 98 13.013 -7.098 11.764 1.00 0.00 N flip ATOM 0 H ASN A 98 8.409 -5.838 12.425 1.00 0.00 H new ATOM 0 HA ASN A 98 10.059 -4.396 12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.787 -5.121 14.016 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.282 -6.768 13.696 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.274 -7.800 11.732 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.877 -7.243 11.242 1.00 0.00 H new ATOM 1477 N SER A 99 10.874 -5.984 10.078 1.00 0.00 N ATOM 1478 CA SER A 99 11.297 -5.799 8.696 1.00 0.00 C ATOM 1479 C SER A 99 10.321 -4.886 7.968 1.00 0.00 C ATOM 1480 O SER A 99 10.680 -4.225 6.994 1.00 0.00 O ATOM 1481 CB SER A 99 11.404 -7.141 7.975 1.00 0.00 C ATOM 1482 OG SER A 99 11.903 -8.148 8.839 1.00 0.00 O ATOM 0 H SER A 99 10.542 -6.923 10.298 1.00 0.00 H new ATOM 0 HA SER A 99 12.283 -5.335 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.424 -7.434 7.599 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.061 -7.041 7.111 1.00 0.00 H new ATOM 0 HG SER A 99 11.960 -8.997 8.353 1.00 0.00 H new ATOM 1488 N GLU A 100 9.087 -4.845 8.460 1.00 0.00 N ATOM 1489 CA GLU A 100 8.065 -3.971 7.901 1.00 0.00 C ATOM 1490 C GLU A 100 8.201 -2.582 8.506 1.00 0.00 C ATOM 1491 O GLU A 100 7.869 -1.580 7.871 1.00 0.00 O ATOM 1492 CB GLU A 100 6.673 -4.544 8.155 1.00 0.00 C ATOM 1493 CG GLU A 100 6.641 -6.064 8.188 1.00 0.00 C ATOM 1494 CD GLU A 100 5.352 -6.633 7.632 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.334 -6.617 8.356 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.359 -7.098 6.473 1.00 0.00 O ATOM 0 H GLU A 100 8.771 -5.410 9.248 1.00 0.00 H new ATOM 0 HA GLU A 100 8.202 -3.900 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.298 -4.160 9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.996 -4.191 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.482 -6.454 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.770 -6.404 9.216 1.00 0.00 H new ATOM 1503 N LEU A 101 8.740 -2.531 9.721 1.00 0.00 N ATOM 1504 CA LEU A 101 9.012 -1.264 10.385 1.00 0.00 C ATOM 1505 C LEU A 101 10.238 -0.620 9.754 1.00 0.00 C ATOM 1506 O LEU A 101 10.388 0.601 9.749 1.00 0.00 O ATOM 1507 CB LEU A 101 9.247 -1.486 11.885 1.00 0.00 C ATOM 1508 CG LEU A 101 10.070 -0.403 12.590 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.205 0.369 13.574 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.265 -1.020 13.299 1.00 0.00 C ATOM 0 H LEU A 101 8.997 -3.355 10.265 1.00 0.00 H new ATOM 0 HA LEU A 101 8.152 -0.605 10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.279 -1.562 12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.749 -2.444 12.019 1.00 0.00 H new ATOM 0 HG LEU A 101 10.439 0.294 11.837 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.807 1.134 14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.381 0.843 13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.806 -0.315 14.323 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.838 -0.237 13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.917 -1.739 14.041 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.898 -1.528 12.571 1.00 0.00 H new ATOM 1522 N LEU A 102 11.105 -1.469 9.217 1.00 0.00 N ATOM 1523 CA LEU A 102 12.328 -1.020 8.569 1.00 0.00 C ATOM 1524 C LEU A 102 12.063 -0.628 7.124 1.00 0.00 C ATOM 1525 O LEU A 102 12.490 0.431 6.665 1.00 0.00 O ATOM 1526 CB LEU A 102 13.373 -2.140 8.601 1.00 0.00 C ATOM 1527 CG LEU A 102 14.076 -2.379 9.950 1.00 0.00 C ATOM 1528 CD1 LEU A 102 15.537 -2.734 9.728 1.00 0.00 C ATOM 1529 CD2 LEU A 102 13.955 -1.171 10.870 1.00 0.00 C ATOM 0 H LEU A 102 10.981 -2.481 9.219 1.00 0.00 H new ATOM 0 HA LEU A 102 12.699 -0.149 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.889 -3.068 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.134 -1.919 7.853 1.00 0.00 H new ATOM 0 HG LEU A 102 13.578 -3.216 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.021 -2.900 10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.604 -3.641 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.035 -1.916 9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.463 -1.378 11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.413 -0.304 10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.902 -0.965 11.064 1.00 0.00 H new ATOM 1541 N HIS A 103 11.374 -1.507 6.410 1.00 0.00 N ATOM 1542 CA HIS A 103 11.069 -1.288 5.008 1.00 0.00 C ATOM 1543 C HIS A 103 10.208 -0.045 4.813 1.00 0.00 C ATOM 1544 O HIS A 103 10.496 0.779 3.948 1.00 0.00 O ATOM 1545 CB HIS A 103 10.358 -2.514 4.435 1.00 0.00 C ATOM 1546 CG HIS A 103 10.832 -2.906 3.070 1.00 0.00 C ATOM 1547 ND1 HIS A 103 9.950 -3.118 2.037 1.00 0.00 N ATOM 1548 CD2 HIS A 103 12.095 -3.124 2.626 1.00 0.00 C ATOM 1549 CE1 HIS A 103 10.688 -3.449 0.992 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.992 -3.466 1.302 1.00 0.00 N ATOM 0 H HIS A 103 11.014 -2.385 6.785 1.00 0.00 H new ATOM 0 HA HIS A 103 12.008 -1.130 4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.500 -3.355 5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.287 -2.315 4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.005 -3.044 3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 103 10.291 -3.677 0.014 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.762 -3.691 0.672 1.00 0.00 H new ATOM 1558 N MET A 104 9.146 0.078 5.609 1.00 0.00 N ATOM 1559 CA MET A 104 8.228 1.214 5.500 1.00 0.00 C ATOM 1560 C MET A 104 8.975 2.540 5.545 1.00 0.00 C ATOM 1561 O MET A 104 8.578 3.500 4.893 1.00 0.00 O ATOM 1562 CB MET A 104 7.201 1.182 6.629 1.00 0.00 C ATOM 1563 CG MET A 104 7.817 1.441 7.986 1.00 0.00 C ATOM 1564 SD MET A 104 6.744 0.948 9.348 1.00 0.00 S ATOM 1565 CE MET A 104 5.133 1.333 8.665 1.00 0.00 C ATOM 0 H MET A 104 8.899 -0.594 6.336 1.00 0.00 H new ATOM 0 HA MET A 104 7.721 1.129 4.539 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.431 1.929 6.436 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.707 0.210 6.638 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.761 0.901 8.060 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.048 2.502 8.078 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.412 1.444 9.475 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.190 2.263 8.100 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.815 0.526 8.005 1.00 0.00 H new ATOM 1575 N LEU A 105 10.027 2.596 6.354 1.00 0.00 N ATOM 1576 CA LEU A 105 10.813 3.812 6.498 1.00 0.00 C ATOM 1577 C LEU A 105 11.815 3.944 5.368 1.00 0.00 C ATOM 1578 O LEU A 105 12.394 5.011 5.156 1.00 0.00 O ATOM 1579 CB LEU A 105 11.556 3.801 7.832 1.00 0.00 C ATOM 1580 CG LEU A 105 10.677 3.555 9.055 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.529 3.444 10.309 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.652 4.667 9.191 1.00 0.00 C ATOM 0 H LEU A 105 10.354 1.813 6.919 1.00 0.00 H new ATOM 0 HA LEU A 105 10.131 4.661 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.327 3.031 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.066 4.757 7.955 1.00 0.00 H new ATOM 0 HG LEU A 105 10.147 2.612 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.886 3.269 11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.227 2.614 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.086 4.370 10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.029 4.483 10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.164 5.622 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.025 4.695 8.300 1.00 0.00 H new ATOM 1594 N GLU A 106 12.027 2.851 4.650 1.00 0.00 N ATOM 1595 CA GLU A 106 13.011 2.833 3.584 1.00 0.00 C ATOM 1596 C GLU A 106 12.372 2.845 2.195 1.00 0.00 C ATOM 1597 O GLU A 106 13.070 3.025 1.196 1.00 0.00 O ATOM 1598 CB GLU A 106 13.919 1.604 3.740 1.00 0.00 C ATOM 1599 CG GLU A 106 13.490 0.404 2.907 1.00 0.00 C ATOM 1600 CD GLU A 106 14.424 0.139 1.741 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.585 -0.248 1.988 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.993 0.318 0.583 1.00 0.00 O ATOM 0 H GLU A 106 11.532 1.970 4.787 1.00 0.00 H new ATOM 0 HA GLU A 106 13.602 3.745 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.936 1.880 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.942 1.314 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.450 -0.480 3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.481 0.571 2.529 1.00 0.00 H new ATOM 1609 N SER A 107 11.056 2.652 2.119 1.00 0.00 N ATOM 1610 CA SER A 107 10.388 2.622 0.816 1.00 0.00 C ATOM 1611 C SER A 107 9.004 3.271 0.860 1.00 0.00 C ATOM 1612 O SER A 107 8.221 3.028 1.777 1.00 0.00 O ATOM 1613 CB SER A 107 10.268 1.182 0.324 1.00 0.00 C ATOM 1614 OG SER A 107 10.436 1.104 -1.082 1.00 0.00 O ATOM 0 H SER A 107 10.442 2.517 2.922 1.00 0.00 H new ATOM 0 HA SER A 107 11.000 3.201 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.017 0.563 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.292 0.781 0.599 1.00 0.00 H new ATOM 0 HG SER A 107 10.356 0.171 -1.370 1.00 0.00 H new ATOM 1620 N PRO A 108 8.675 4.097 -0.155 1.00 0.00 N ATOM 1621 CA PRO A 108 7.381 4.781 -0.241 1.00 0.00 C ATOM 1622 C PRO A 108 6.251 3.829 -0.624 1.00 0.00 C ATOM 1623 O PRO A 108 5.112 4.249 -0.821 1.00 0.00 O ATOM 1624 CB PRO A 108 7.587 5.831 -1.345 1.00 0.00 C ATOM 1625 CG PRO A 108 9.050 5.815 -1.657 1.00 0.00 C ATOM 1626 CD PRO A 108 9.539 4.446 -1.289 1.00 0.00 C ATOM 0 HA PRO A 108 7.090 5.210 0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.996 5.590 -2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.270 6.818 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.226 6.021 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.578 6.583 -1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.432 3.741 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.593 4.452 -1.010 1.00 0.00 H new ATOM 1634 N GLU A 109 6.583 2.548 -0.738 1.00 0.00 N ATOM 1635 CA GLU A 109 5.603 1.529 -1.093 1.00 0.00 C ATOM 1636 C GLU A 109 5.567 0.433 -0.040 1.00 0.00 C ATOM 1637 O GLU A 109 4.578 -0.287 0.081 1.00 0.00 O ATOM 1638 CB GLU A 109 5.939 0.927 -2.456 1.00 0.00 C ATOM 1639 CG GLU A 109 5.931 1.941 -3.588 1.00 0.00 C ATOM 1640 CD GLU A 109 5.676 1.304 -4.940 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.515 0.492 -5.381 1.00 0.00 O ATOM 1642 OE2 GLU A 109 4.637 1.620 -5.558 1.00 0.00 O ATOM 0 H GLU A 109 7.526 2.190 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 109 4.621 1.999 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.922 0.460 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.222 0.137 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.164 2.691 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.888 2.462 -3.611 1.00 0.00 H new ATOM 1649 N SER A 110 6.648 0.308 0.717 1.00 0.00 N ATOM 1650 CA SER A 110 6.713 -0.675 1.786 1.00 0.00 C ATOM 1651 C SER A 110 5.687 -0.351 2.843 1.00 0.00 C ATOM 1652 O SER A 110 4.847 -1.169 3.186 1.00 0.00 O ATOM 1653 CB SER A 110 8.092 -0.675 2.433 1.00 0.00 C ATOM 1654 OG SER A 110 8.600 0.640 2.506 1.00 0.00 O ATOM 0 H SER A 110 7.490 0.874 0.610 1.00 0.00 H new ATOM 0 HA SER A 110 6.514 -1.657 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.032 -1.105 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.771 -1.303 1.857 1.00 0.00 H new ATOM 0 HG SER A 110 9.570 0.609 2.639 1.00 0.00 H new ATOM 1660 N LEU A 111 5.774 0.859 3.356 1.00 0.00 N ATOM 1661 CA LEU A 111 4.869 1.313 4.389 1.00 0.00 C ATOM 1662 C LEU A 111 3.420 1.027 4.028 1.00 0.00 C ATOM 1663 O LEU A 111 2.592 0.796 4.902 1.00 0.00 O ATOM 1664 CB LEU A 111 5.060 2.804 4.622 1.00 0.00 C ATOM 1665 CG LEU A 111 4.237 3.371 5.768 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.044 4.403 6.531 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.939 3.961 5.242 1.00 0.00 C ATOM 0 H LEU A 111 6.468 1.550 3.071 1.00 0.00 H new ATOM 0 HA LEU A 111 5.100 0.766 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.115 2.997 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.803 3.338 3.707 1.00 0.00 H new ATOM 0 HG LEU A 111 3.983 2.566 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.444 4.802 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.943 3.937 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.326 5.214 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.359 4.363 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.163 4.760 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.363 3.183 4.741 1.00 0.00 H new ATOM 1679 N ARG A 112 3.120 1.044 2.737 1.00 0.00 N ATOM 1680 CA ARG A 112 1.763 0.804 2.277 1.00 0.00 C ATOM 1681 C ARG A 112 1.505 -0.687 2.062 1.00 0.00 C ATOM 1682 O ARG A 112 0.627 -1.265 2.695 1.00 0.00 O ATOM 1683 CB ARG A 112 1.502 1.592 0.988 1.00 0.00 C ATOM 1684 CG ARG A 112 0.628 0.864 -0.018 1.00 0.00 C ATOM 1685 CD ARG A 112 0.228 1.772 -1.168 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.583 1.075 -2.162 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.899 0.912 -2.059 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.550 1.396 -1.009 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.565 0.266 -3.006 1.00 0.00 N ATOM 0 H ARG A 112 3.796 1.221 1.994 1.00 0.00 H new ATOM 0 HA ARG A 112 1.073 1.148 3.048 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.030 2.540 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.457 1.828 0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.163 -0.003 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.267 0.490 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.329 2.624 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.124 2.168 -1.645 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.114 0.691 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.041 1.894 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.559 1.270 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.068 -0.107 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.574 0.142 -2.926 1.00 0.00 H new ATOM 1703 N SER A 113 2.270 -1.298 1.163 1.00 0.00 N ATOM 1704 CA SER A 113 2.112 -2.717 0.857 1.00 0.00 C ATOM 1705 C SER A 113 2.251 -3.569 2.114 1.00 0.00 C ATOM 1706 O SER A 113 1.593 -4.600 2.253 1.00 0.00 O ATOM 1707 CB SER A 113 3.146 -3.151 -0.184 1.00 0.00 C ATOM 1708 OG SER A 113 3.005 -2.413 -1.385 1.00 0.00 O ATOM 0 H SER A 113 3.007 -0.833 0.633 1.00 0.00 H new ATOM 0 HA SER A 113 1.111 -2.865 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.150 -3.011 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.032 -4.215 -0.392 1.00 0.00 H new ATOM 0 HG SER A 113 3.431 -1.536 -1.282 1.00 0.00 H new ATOM 1714 N LYS A 114 3.122 -3.138 3.021 1.00 0.00 N ATOM 1715 CA LYS A 114 3.343 -3.855 4.271 1.00 0.00 C ATOM 1716 C LYS A 114 2.229 -3.564 5.264 1.00 0.00 C ATOM 1717 O LYS A 114 1.895 -4.412 6.087 1.00 0.00 O ATOM 1718 CB LYS A 114 4.697 -3.488 4.883 1.00 0.00 C ATOM 1719 CG LYS A 114 5.878 -3.782 3.973 1.00 0.00 C ATOM 1720 CD LYS A 114 6.011 -5.269 3.683 1.00 0.00 C ATOM 1721 CE LYS A 114 6.064 -5.543 2.189 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.044 -4.662 1.496 1.00 0.00 N ATOM 0 H LYS A 114 3.686 -2.295 2.913 1.00 0.00 H new ATOM 0 HA LYS A 114 3.343 -4.921 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.697 -2.427 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.824 -4.035 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.759 -3.238 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.794 -3.419 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.914 -5.654 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.168 -5.803 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.332 -6.586 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.074 -5.394 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.468 -5.176 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.558 -3.813 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.791 -4.381 2.163 1.00 0.00 H new ATOM 1736 N VAL A 115 1.662 -2.360 5.193 1.00 0.00 N ATOM 1737 CA VAL A 115 0.560 -1.998 6.078 1.00 0.00 C ATOM 1738 C VAL A 115 -0.693 -2.772 5.676 1.00 0.00 C ATOM 1739 O VAL A 115 -1.305 -3.448 6.501 1.00 0.00 O ATOM 1740 CB VAL A 115 0.282 -0.473 6.069 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.210 -0.176 6.062 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.935 0.191 7.267 1.00 0.00 C ATOM 0 H VAL A 115 1.944 -1.629 4.540 1.00 0.00 H new ATOM 0 HA VAL A 115 0.845 -2.264 7.096 1.00 0.00 H new ATOM 0 HB VAL A 115 0.712 -0.067 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.366 0.903 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.664 -0.614 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.670 -0.604 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.730 1.261 7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.532 -0.237 8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.012 0.027 7.232 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.036 -2.703 4.392 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.183 -3.427 3.861 1.00 0.00 C ATOM 1754 C ASP A 116 -2.025 -4.922 4.106 1.00 0.00 C ATOM 1755 O ASP A 116 -3.006 -5.639 4.315 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.328 -3.156 2.365 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.598 -2.401 2.029 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.747 -1.253 2.496 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.442 -2.956 1.294 1.00 0.00 O ATOM 0 H ASP A 116 -0.532 -2.150 3.699 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.081 -3.081 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.467 -2.584 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.320 -4.103 1.826 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.780 -5.385 4.077 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.481 -6.786 4.334 1.00 0.00 C ATOM 1766 C GLU A 117 -0.492 -7.042 5.829 1.00 0.00 C ATOM 1767 O GLU A 117 -0.849 -8.127 6.287 1.00 0.00 O ATOM 1768 CB GLU A 117 0.878 -7.163 3.745 1.00 0.00 C ATOM 1769 CG GLU A 117 0.795 -7.731 2.336 1.00 0.00 C ATOM 1770 CD GLU A 117 1.952 -8.655 2.008 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.509 -9.265 2.945 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.301 -8.770 0.814 1.00 0.00 O ATOM 0 H GLU A 117 0.038 -4.809 3.878 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.243 -7.402 3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.518 -6.280 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.356 -7.896 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.143 -8.275 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.776 -6.911 1.619 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.119 -6.017 6.590 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.144 -6.107 8.037 1.00 0.00 C ATOM 1781 C ALA A 118 -1.580 -6.184 8.514 1.00 0.00 C ATOM 1782 O ALA A 118 -1.857 -6.704 9.588 1.00 0.00 O ATOM 1783 CB ALA A 118 0.571 -4.930 8.676 1.00 0.00 C ATOM 0 H ALA A 118 0.202 -5.120 6.226 1.00 0.00 H new ATOM 0 HA ALA A 118 0.384 -7.011 8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.534 -5.027 9.761 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.610 -4.914 8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.082 -4.002 8.378 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.496 -5.681 7.692 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.910 -5.764 8.003 1.00 0.00 C ATOM 1791 C VAL A 119 -4.342 -7.210 8.012 1.00 0.00 C ATOM 1792 O VAL A 119 -4.838 -7.710 9.014 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.780 -5.011 7.001 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.203 -4.943 7.526 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.220 -3.629 6.737 1.00 0.00 C ATOM 0 H VAL A 119 -2.281 -5.215 6.811 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.044 -5.303 8.982 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.783 -5.544 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.829 -4.406 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.590 -5.953 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.213 -4.421 8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.856 -3.110 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.189 -3.065 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.212 -3.716 6.332 1.00 0.00 H new ATOM 1805 N ALA A 120 -4.121 -7.881 6.889 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.439 -9.293 6.771 1.00 0.00 C ATOM 1807 C ALA A 120 -3.782 -10.068 7.904 1.00 0.00 C ATOM 1808 O ALA A 120 -4.238 -11.145 8.291 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.974 -9.815 5.428 1.00 0.00 C ATOM 0 H ALA A 120 -3.722 -7.467 6.047 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.519 -9.426 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.216 -10.875 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.475 -9.266 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.896 -9.681 5.339 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.718 -9.487 8.440 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.984 -10.072 9.544 1.00 0.00 C ATOM 1817 C VAL A 121 -2.609 -9.664 10.875 1.00 0.00 C ATOM 1818 O VAL A 121 -2.601 -10.426 11.841 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.512 -9.624 9.495 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.184 -9.874 10.819 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.211 -10.326 8.357 1.00 0.00 C ATOM 0 H VAL A 121 -2.342 -8.595 8.118 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.029 -11.157 9.455 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.487 -8.550 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.222 -9.547 10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.322 -9.316 11.607 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.153 -10.939 11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.251 -10.002 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.171 -11.404 8.511 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.270 -10.076 7.411 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.163 -8.456 10.906 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.814 -7.932 12.099 1.00 0.00 C ATOM 1833 C LEU A 122 -5.135 -8.654 12.339 1.00 0.00 C ATOM 1834 O LEU A 122 -5.450 -9.042 13.463 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.035 -6.418 11.953 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.487 -5.936 12.051 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.771 -5.387 13.438 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.772 -4.884 10.991 1.00 0.00 C ATOM 0 H LEU A 122 -3.173 -7.818 10.110 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.171 -8.105 12.962 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.452 -5.910 12.722 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.633 -6.104 10.990 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.146 -6.786 11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.806 -5.049 13.491 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.606 -6.169 14.179 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.105 -4.548 13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.807 -4.553 11.076 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.106 -4.033 11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.607 -5.310 10.002 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.893 -8.844 11.265 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.163 -9.549 11.333 1.00 0.00 C ATOM 1852 C GLN A 123 -6.925 -11.006 11.690 1.00 0.00 C ATOM 1853 O GLN A 123 -7.733 -11.637 12.370 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.898 -9.443 9.994 1.00 0.00 C ATOM 1855 CG GLN A 123 -6.996 -9.562 8.779 1.00 0.00 C ATOM 1856 CD GLN A 123 -7.403 -10.691 7.854 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -6.929 -11.896 8.148 1.00 0.00 O flip ATOM 1858 NE2 GLN A 123 -8.133 -10.483 6.885 1.00 0.00 N flip ATOM 0 H GLN A 123 -5.646 -8.516 10.331 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.782 -9.093 12.105 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -8.658 -10.223 9.946 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.420 -8.487 9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.012 -8.622 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.969 -9.721 9.109 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.474 -9.540 6.697 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -8.397 -11.253 6.270 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.783 -11.517 11.250 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.393 -12.896 11.522 1.00 0.00 C ATOM 1869 C ALA A 124 -4.777 -13.030 12.913 1.00 0.00 C ATOM 1870 O ALA A 124 -4.652 -14.134 13.442 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.413 -13.379 10.466 1.00 0.00 C ATOM 0 H ALA A 124 -5.104 -10.992 10.698 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.289 -13.515 11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.128 -14.409 10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.882 -13.327 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.525 -12.747 10.478 1.00 0.00 H new