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 :FLIP no HD1:sc= -0.237 F(o=-1.1,f=-0.44) USER MOD Set 1.2: A 110 SER OG : rot 100:sc= -0.204 USER MOD Set 1.3: A 114 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 2.1: A 79 GLN :FLIP amide:sc= 0.626 F(o=0.39,f=1.3) USER MOD Set 2.2: A 84 THR OG1 : rot 91:sc= 0.701 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.354 USER MOD Set 3.2: A 56 SER OG : rot -85:sc= 0.0782 USER MOD Set 3.3: A 57 MET CE :methyl -179:sc= -2.22! (180deg=-2.22!) USER MOD Single : A 60 SER OG : rot 60:sc= 0.604 USER MOD Single : A 66 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.22) 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 -164:sc= 0 (180deg=-0.636) USER MOD Single : A 81 MET CE :methyl -133:sc= -0.482 (180deg=-3.43!) USER MOD Single : A 82 HIS : no HD1:sc= -15.8! C(o=-16!,f=-18!) USER MOD Single : A 88 LYS NZ :NH3+ -127:sc= 0.531 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -100:sc= -3.11! USER MOD Single : A 92 MET CE :methyl 144:sc= -0.19 (180deg=-2.81) USER MOD Single : A 98 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.7!) USER MOD Single : A 99 SER OG : rot 110:sc= 0.303 USER MOD Single : A 104 MET CE :methyl 157:sc= -5.65! (180deg=-7.58!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.560 8.992 3.668 1.00 0.00 N ATOM 766 CA LEU A 53 1.862 8.932 4.324 1.00 0.00 C ATOM 767 C LEU A 53 2.675 7.744 3.819 1.00 0.00 C ATOM 768 O LEU A 53 2.118 6.705 3.462 1.00 0.00 O ATOM 769 CB LEU A 53 1.678 8.826 5.840 1.00 0.00 C ATOM 770 CG LEU A 53 2.595 9.730 6.672 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.778 10.750 7.447 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.446 8.907 7.626 1.00 0.00 C ATOM 0 HA LEU A 53 2.406 9.846 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.642 9.064 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.845 7.791 6.139 1.00 0.00 H new ATOM 0 HG LEU A 53 3.258 10.259 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.446 11.383 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.211 11.367 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.090 10.233 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.088 9.570 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.798 8.348 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.062 8.212 7.056 1.00 0.00 H new ATOM 784 N THR A 54 3.995 7.906 3.788 1.00 0.00 N ATOM 785 CA THR A 54 4.889 6.843 3.343 1.00 0.00 C ATOM 786 C THR A 54 6.326 7.146 3.750 1.00 0.00 C ATOM 787 O THR A 54 6.587 8.126 4.446 1.00 0.00 O ATOM 788 CB THR A 54 4.802 6.658 1.825 1.00 0.00 C ATOM 789 OG1 THR A 54 3.870 7.562 1.258 1.00 0.00 O ATOM 790 CG2 THR A 54 4.390 5.259 1.416 1.00 0.00 C ATOM 0 H THR A 54 4.469 8.765 4.066 1.00 0.00 H new ATOM 0 HA THR A 54 4.575 5.917 3.824 1.00 0.00 H new ATOM 0 HB THR A 54 5.809 6.848 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.832 7.427 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.348 5.195 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.118 4.540 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.408 5.033 1.831 1.00 0.00 H new ATOM 798 N ALA A 55 7.251 6.299 3.309 1.00 0.00 N ATOM 799 CA ALA A 55 8.664 6.467 3.637 1.00 0.00 C ATOM 800 C ALA A 55 9.144 7.885 3.344 1.00 0.00 C ATOM 801 O ALA A 55 10.032 8.399 4.023 1.00 0.00 O ATOM 802 CB ALA A 55 9.506 5.455 2.879 1.00 0.00 C ATOM 0 H ALA A 55 7.048 5.489 2.723 1.00 0.00 H new ATOM 0 HA ALA A 55 8.779 6.294 4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.557 5.592 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.196 4.446 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.371 5.599 1.807 1.00 0.00 H new ATOM 808 N SER A 56 8.550 8.515 2.335 1.00 0.00 N ATOM 809 CA SER A 56 8.912 9.881 1.974 1.00 0.00 C ATOM 810 C SER A 56 8.486 10.852 3.068 1.00 0.00 C ATOM 811 O SER A 56 9.266 11.703 3.496 1.00 0.00 O ATOM 812 CB SER A 56 8.267 10.271 0.644 1.00 0.00 C ATOM 813 OG SER A 56 8.061 11.671 0.568 1.00 0.00 O ATOM 0 H SER A 56 7.819 8.103 1.755 1.00 0.00 H new ATOM 0 HA SER A 56 9.995 9.931 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.903 9.949 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.314 9.754 0.533 1.00 0.00 H new ATOM 0 HG SER A 56 7.209 11.900 0.996 1.00 0.00 H new ATOM 819 N MET A 57 7.247 10.702 3.531 1.00 0.00 N ATOM 820 CA MET A 57 6.726 11.542 4.602 1.00 0.00 C ATOM 821 C MET A 57 7.605 11.408 5.835 1.00 0.00 C ATOM 822 O MET A 57 7.867 12.382 6.540 1.00 0.00 O ATOM 823 CB MET A 57 5.290 11.137 4.944 1.00 0.00 C ATOM 824 CG MET A 57 4.244 11.633 3.956 1.00 0.00 C ATOM 825 SD MET A 57 4.930 12.075 2.346 1.00 0.00 S ATOM 826 CE MET A 57 4.853 10.497 1.503 1.00 0.00 C ATOM 0 H MET A 57 6.588 10.007 3.181 1.00 0.00 H new ATOM 0 HA MET A 57 6.729 12.579 4.267 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.235 10.050 4.997 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.045 11.517 5.936 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.488 10.860 3.820 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.739 12.502 4.378 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.260 10.602 0.497 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.436 9.760 2.056 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.816 10.167 1.442 1.00 0.00 H new ATOM 836 N LEU A 58 8.070 10.189 6.073 1.00 0.00 N ATOM 837 CA LEU A 58 8.956 9.906 7.191 1.00 0.00 C ATOM 838 C LEU A 58 10.279 10.635 7.010 1.00 0.00 C ATOM 839 O LEU A 58 10.813 11.223 7.949 1.00 0.00 O ATOM 840 CB LEU A 58 9.212 8.399 7.286 1.00 0.00 C ATOM 841 CG LEU A 58 8.070 7.541 7.854 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.865 8.390 8.243 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.673 6.476 6.842 1.00 0.00 C ATOM 0 H LEU A 58 7.845 9.375 5.501 1.00 0.00 H new ATOM 0 HA LEU A 58 8.481 10.251 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.451 8.031 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.096 8.242 7.904 1.00 0.00 H new ATOM 0 HG LEU A 58 8.429 7.057 8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.080 7.747 8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.160 9.114 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.493 8.917 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.863 5.871 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.340 6.955 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.531 5.838 6.629 1.00 0.00 H new ATOM 855 N ALA A 59 10.796 10.592 5.786 1.00 0.00 N ATOM 856 CA ALA A 59 12.058 11.247 5.462 1.00 0.00 C ATOM 857 C ALA A 59 11.904 12.765 5.460 1.00 0.00 C ATOM 858 O ALA A 59 12.870 13.495 5.245 1.00 0.00 O ATOM 859 CB ALA A 59 12.571 10.764 4.114 1.00 0.00 C ATOM 0 H ALA A 59 10.359 10.109 5.001 1.00 0.00 H new ATOM 0 HA ALA A 59 12.785 10.983 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.514 11.261 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.728 9.686 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.839 10.999 3.341 1.00 0.00 H new ATOM 865 N SER A 60 10.681 13.230 5.701 1.00 0.00 N ATOM 866 CA SER A 60 10.402 14.662 5.734 1.00 0.00 C ATOM 867 C SER A 60 10.677 15.238 7.120 1.00 0.00 C ATOM 868 O SER A 60 10.659 16.454 7.312 1.00 0.00 O ATOM 869 CB SER A 60 8.949 14.929 5.336 1.00 0.00 C ATOM 870 OG SER A 60 8.713 14.562 3.988 1.00 0.00 O ATOM 0 H SER A 60 9.869 12.637 5.876 1.00 0.00 H new ATOM 0 HA SER A 60 11.063 15.153 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.281 14.369 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.719 15.986 5.474 1.00 0.00 H new ATOM 0 HG SER A 60 8.895 13.606 3.873 1.00 0.00 H new ATOM 876 N ALA A 61 10.939 14.354 8.081 1.00 0.00 N ATOM 877 CA ALA A 61 11.232 14.774 9.448 1.00 0.00 C ATOM 878 C ALA A 61 12.456 14.038 10.007 1.00 0.00 C ATOM 879 O ALA A 61 12.391 13.460 11.091 1.00 0.00 O ATOM 880 CB ALA A 61 10.020 14.535 10.339 1.00 0.00 C ATOM 0 H ALA A 61 10.954 13.344 7.938 1.00 0.00 H new ATOM 0 HA ALA A 61 11.461 15.840 9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.249 14.851 11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.173 15.108 9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.770 13.474 10.336 1.00 0.00 H new ATOM 946 N GLN A 66 11.157 11.402 12.436 1.00 0.00 N ATOM 947 CA GLN A 66 11.603 10.429 11.444 1.00 0.00 C ATOM 948 C GLN A 66 11.174 9.024 11.837 1.00 0.00 C ATOM 949 O GLN A 66 10.926 8.177 10.980 1.00 0.00 O ATOM 950 CB GLN A 66 13.121 10.473 11.299 1.00 0.00 C ATOM 951 CG GLN A 66 13.601 10.172 9.890 1.00 0.00 C ATOM 952 CD GLN A 66 14.952 9.485 9.866 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.168 8.489 10.558 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.870 10.014 9.066 1.00 0.00 N ATOM 0 HA GLN A 66 11.142 10.687 10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.478 11.460 11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.565 9.754 11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.868 9.540 9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.661 11.102 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.647 10.840 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.798 9.594 9.007 1.00 0.00 H new ATOM 963 N LYS A 67 11.105 8.785 13.140 1.00 0.00 N ATOM 964 CA LYS A 67 10.710 7.486 13.663 1.00 0.00 C ATOM 965 C LYS A 67 9.504 7.615 14.590 1.00 0.00 C ATOM 966 O LYS A 67 9.407 6.918 15.600 1.00 0.00 O ATOM 967 CB LYS A 67 11.877 6.843 14.413 1.00 0.00 C ATOM 968 CG LYS A 67 12.394 7.682 15.570 1.00 0.00 C ATOM 969 CD LYS A 67 13.634 8.471 15.179 1.00 0.00 C ATOM 970 CE LYS A 67 14.191 9.251 16.360 1.00 0.00 C ATOM 971 NZ LYS A 67 14.729 10.577 15.946 1.00 0.00 N ATOM 0 H LYS A 67 11.319 9.479 13.857 1.00 0.00 H new ATOM 0 HA LYS A 67 10.431 6.852 12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.562 5.871 14.792 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.693 6.663 13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.614 8.369 15.899 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.626 7.034 16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.396 7.790 14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.389 9.159 14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.407 9.394 17.103 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.981 8.672 16.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.099 11.077 16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.495 10.441 15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.969 11.140 15.513 1.00 0.00 H new ATOM 985 N GLN A 68 8.583 8.507 14.235 1.00 0.00 N ATOM 986 CA GLN A 68 7.394 8.736 15.049 1.00 0.00 C ATOM 987 C GLN A 68 6.115 8.641 14.219 1.00 0.00 C ATOM 988 O GLN A 68 5.176 7.942 14.597 1.00 0.00 O ATOM 989 CB GLN A 68 7.475 10.110 15.722 1.00 0.00 C ATOM 990 CG GLN A 68 6.334 10.382 16.690 1.00 0.00 C ATOM 991 CD GLN A 68 6.756 11.252 17.859 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.569 10.885 19.019 1.00 0.00 O ATOM 993 NE2 GLN A 68 7.328 12.412 17.557 1.00 0.00 N ATOM 0 H GLN A 68 8.637 9.080 13.393 1.00 0.00 H new ATOM 0 HA GLN A 68 7.359 7.957 15.810 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.421 10.188 16.258 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.480 10.882 14.953 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.518 10.868 16.156 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.949 9.435 17.067 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.463 12.675 16.581 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.632 13.040 18.301 1.00 0.00 H new ATOM 1002 N MET A 69 6.079 9.352 13.095 1.00 0.00 N ATOM 1003 CA MET A 69 4.898 9.368 12.234 1.00 0.00 C ATOM 1004 C MET A 69 4.755 8.072 11.450 1.00 0.00 C ATOM 1005 O MET A 69 3.943 7.978 10.530 1.00 0.00 O ATOM 1006 CB MET A 69 4.955 10.537 11.253 1.00 0.00 C ATOM 1007 CG MET A 69 5.635 11.778 11.805 1.00 0.00 C ATOM 1008 SD MET A 69 5.718 13.114 10.599 1.00 0.00 S ATOM 1009 CE MET A 69 7.038 12.520 9.546 1.00 0.00 C ATOM 0 H MET A 69 6.853 9.925 12.759 1.00 0.00 H new ATOM 0 HA MET A 69 4.033 9.480 12.888 1.00 0.00 H new ATOM 0 HB2 MET A 69 5.481 10.217 10.354 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.939 10.795 10.953 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.095 12.122 12.687 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.644 11.522 12.129 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.408 13.339 8.929 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.850 12.135 10.163 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.661 11.724 8.904 1.00 0.00 H new ATOM 1019 N LEU A 70 5.557 7.084 11.805 1.00 0.00 N ATOM 1020 CA LEU A 70 5.525 5.799 11.128 1.00 0.00 C ATOM 1021 C LEU A 70 4.303 5.017 11.542 1.00 0.00 C ATOM 1022 O LEU A 70 3.458 4.662 10.723 1.00 0.00 O ATOM 1023 CB LEU A 70 6.761 4.978 11.488 1.00 0.00 C ATOM 1024 CG LEU A 70 7.888 5.741 12.174 1.00 0.00 C ATOM 1025 CD1 LEU A 70 9.047 4.804 12.456 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.325 6.922 11.328 1.00 0.00 C ATOM 0 H LEU A 70 6.240 7.147 12.560 1.00 0.00 H new ATOM 0 HA LEU A 70 5.501 5.988 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.453 4.160 12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.154 4.529 10.576 1.00 0.00 H new ATOM 0 HG LEU A 70 7.526 6.134 13.124 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.849 5.355 12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.712 3.996 13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.414 4.387 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.130 7.454 11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.678 6.566 10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.481 7.596 11.181 1.00 0.00 H new ATOM 1038 N GLY A 71 4.245 4.712 12.824 1.00 0.00 N ATOM 1039 CA GLY A 71 3.137 3.956 13.342 1.00 0.00 C ATOM 1040 C GLY A 71 2.296 4.757 14.313 1.00 0.00 C ATOM 1041 O GLY A 71 1.497 4.192 15.060 1.00 0.00 O ATOM 0 H GLY A 71 4.948 4.976 13.515 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.511 3.620 12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.512 3.063 13.841 1.00 0.00 H new ATOM 1045 N GLU A 72 2.460 6.083 14.296 1.00 0.00 N ATOM 1046 CA GLU A 72 1.714 6.937 15.217 1.00 0.00 C ATOM 1047 C GLU A 72 1.011 8.098 14.507 1.00 0.00 C ATOM 1048 O GLU A 72 0.193 8.793 15.112 1.00 0.00 O ATOM 1049 CB GLU A 72 2.650 7.461 16.316 1.00 0.00 C ATOM 1050 CG GLU A 72 2.949 8.952 16.239 1.00 0.00 C ATOM 1051 CD GLU A 72 2.250 9.743 17.328 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.468 9.436 18.519 1.00 0.00 O ATOM 1053 OE2 GLU A 72 1.483 10.670 16.990 1.00 0.00 O ATOM 0 H GLU A 72 3.091 6.579 13.666 1.00 0.00 H new ATOM 0 HA GLU A 72 0.930 6.327 15.666 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.206 7.243 17.287 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.591 6.912 16.265 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.025 9.108 16.316 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.641 9.331 15.265 1.00 0.00 H new ATOM 1060 N ARG A 73 1.291 8.285 13.220 1.00 0.00 N ATOM 1061 CA ARG A 73 0.677 9.371 12.462 1.00 0.00 C ATOM 1062 C ARG A 73 -0.001 8.840 11.211 1.00 0.00 C ATOM 1063 O ARG A 73 -0.838 9.513 10.609 1.00 0.00 O ATOM 1064 CB ARG A 73 1.733 10.398 12.067 1.00 0.00 C ATOM 1065 CG ARG A 73 1.163 11.635 11.392 1.00 0.00 C ATOM 1066 CD ARG A 73 1.574 12.902 12.118 1.00 0.00 C ATOM 1067 NE ARG A 73 0.468 13.849 12.235 1.00 0.00 N ATOM 1068 CZ ARG A 73 0.098 14.416 13.379 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.742 14.133 14.503 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.919 15.267 13.399 1.00 0.00 N ATOM 0 H ARG A 73 1.934 7.703 12.683 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.073 9.844 13.096 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.282 10.702 12.958 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.451 9.927 11.395 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.507 11.678 10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.076 11.567 11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.940 12.647 13.113 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.400 13.373 11.585 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.050 14.089 11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.524 13.478 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.455 14.570 15.379 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.417 15.486 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.203 15.702 14.277 1.00 0.00 H new ATOM 1084 N LEU A 74 0.366 7.629 10.829 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.193 7.004 9.641 1.00 0.00 C ATOM 1086 C LEU A 74 -1.595 6.473 9.894 1.00 0.00 C ATOM 1087 O LEU A 74 -2.290 6.082 8.960 1.00 0.00 O ATOM 1088 CB LEU A 74 0.703 5.864 9.180 1.00 0.00 C ATOM 1089 CG LEU A 74 1.516 6.167 7.933 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.909 5.577 8.058 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.804 5.645 6.696 1.00 0.00 C ATOM 0 H LEU A 74 1.050 7.057 11.325 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.251 7.767 8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.386 5.605 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.085 4.986 8.991 1.00 0.00 H new ATOM 0 HG LEU A 74 1.616 7.247 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.481 5.801 7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.411 6.009 8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.837 4.497 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.399 5.870 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.672 4.566 6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.171 6.124 6.608 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.998 6.445 11.158 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.310 5.930 11.530 1.00 0.00 C ATOM 1105 C PHE A 75 -4.425 6.536 10.667 1.00 0.00 C ATOM 1106 O PHE A 75 -5.200 5.799 10.056 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.582 6.184 13.017 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.927 5.697 13.479 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.460 4.515 12.986 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.655 6.417 14.413 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.698 4.068 13.409 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.890 5.973 14.843 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.413 4.797 14.341 1.00 0.00 C ATOM 0 H PHE A 75 -1.435 6.773 11.943 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.305 4.855 11.351 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.807 5.696 13.607 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.506 7.253 13.213 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.902 3.938 12.264 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.251 7.337 14.810 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.106 3.150 13.012 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.446 6.545 15.571 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.379 4.448 14.676 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.526 7.880 10.586 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.556 8.536 9.770 1.00 0.00 C ATOM 1125 C PRO A 76 -5.340 8.303 8.278 1.00 0.00 C ATOM 1126 O PRO A 76 -6.228 8.558 7.465 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.396 10.019 10.107 1.00 0.00 C ATOM 1128 CG PRO A 76 -3.986 10.153 10.565 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.657 8.863 11.262 1.00 0.00 C ATOM 0 HA PRO A 76 -6.552 8.147 9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.591 10.646 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.096 10.326 10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.316 10.324 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.873 11.002 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.603 8.607 11.157 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.867 8.918 12.330 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.154 7.814 7.927 1.00 0.00 N ATOM 1138 CA LEU A 77 -3.817 7.551 6.533 1.00 0.00 C ATOM 1139 C LEU A 77 -4.276 6.162 6.105 1.00 0.00 C ATOM 1140 O LEU A 77 -4.800 5.987 5.006 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.307 7.689 6.313 1.00 0.00 C ATOM 1142 CG LEU A 77 -1.785 9.122 6.185 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -2.716 9.975 5.333 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.604 9.729 7.560 1.00 0.00 C ATOM 0 H LEU A 77 -3.411 7.592 8.589 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.338 8.288 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.792 7.207 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.038 7.142 5.410 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.818 9.093 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.318 10.987 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.793 9.544 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.704 10.006 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.232 10.749 7.461 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.561 9.740 8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.888 9.135 8.128 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.065 5.171 6.971 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.466 3.803 6.662 1.00 0.00 C ATOM 1158 C ILE A 78 -5.966 3.715 6.448 1.00 0.00 C ATOM 1159 O ILE A 78 -6.436 2.987 5.578 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.101 2.808 7.772 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.774 3.176 8.439 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.060 1.399 7.198 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.570 3.012 7.543 1.00 0.00 C ATOM 0 H ILE A 78 -3.623 5.290 7.883 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.923 3.538 5.755 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.866 2.851 8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.824 4.211 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.641 2.557 9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.801 0.692 7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.038 1.144 6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.312 1.350 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.669 3.293 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.492 1.972 7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.678 3.652 6.668 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.711 4.434 7.283 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.168 4.438 7.214 1.00 0.00 C ATOM 1177 C GLN A 79 -8.648 4.645 5.779 1.00 0.00 C ATOM 1178 O GLN A 79 -9.787 4.328 5.439 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.728 5.544 8.110 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.161 5.058 9.483 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.761 6.163 10.330 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.086 6.254 10.332 1.00 0.00 O flip ATOM 1183 NE2 GLN A 79 -9.043 6.926 10.976 1.00 0.00 N flip ATOM 0 H GLN A 79 -6.326 5.025 8.020 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.528 3.470 7.561 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.971 6.319 8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.581 6.006 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.891 4.257 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.302 4.634 10.002 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.029 6.820 10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.462 7.664 11.542 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.766 5.192 4.950 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.070 5.435 3.544 1.00 0.00 C ATOM 1194 C ALA A 80 -7.824 4.180 2.710 1.00 0.00 C ATOM 1195 O ALA A 80 -8.612 3.845 1.825 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.231 6.589 3.018 1.00 0.00 C ATOM 0 H ALA A 80 -6.828 5.478 5.230 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.125 5.698 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.467 6.761 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.451 7.490 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.173 6.345 3.117 1.00 0.00 H new ATOM 1202 N MET A 81 -6.717 3.498 2.993 1.00 0.00 N ATOM 1203 CA MET A 81 -6.364 2.272 2.282 1.00 0.00 C ATOM 1204 C MET A 81 -7.331 1.151 2.634 1.00 0.00 C ATOM 1205 O MET A 81 -7.705 0.343 1.784 1.00 0.00 O ATOM 1206 CB MET A 81 -4.939 1.838 2.648 1.00 0.00 C ATOM 1207 CG MET A 81 -3.991 2.998 2.902 1.00 0.00 C ATOM 1208 SD MET A 81 -2.406 2.795 2.070 1.00 0.00 S ATOM 1209 CE MET A 81 -1.398 2.194 3.423 1.00 0.00 C ATOM 0 H MET A 81 -6.048 3.774 3.711 1.00 0.00 H new ATOM 0 HA MET A 81 -6.422 2.473 1.212 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.978 1.211 3.539 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.538 1.223 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.458 3.924 2.565 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.824 3.097 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.456 2.742 3.447 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.927 2.341 4.364 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.196 1.132 3.282 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.694 1.093 3.908 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.560 0.044 4.422 1.00 0.00 C ATOM 1221 C HIS A 82 -9.796 0.637 5.092 1.00 0.00 C ATOM 1222 O HIS A 82 -9.768 1.778 5.546 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.774 -0.799 5.429 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.388 -1.122 4.977 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.345 -1.163 5.860 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.929 -1.420 3.738 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.276 -1.449 5.144 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.586 -1.637 3.857 1.00 0.00 N ATOM 0 H HIS A 82 -7.397 1.770 4.611 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.894 -0.580 3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.724 -0.265 6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.314 -1.728 5.614 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.513 -1.475 2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.276 -1.522 5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.943 -1.893 3.108 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.900 -0.133 5.171 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.142 0.331 5.803 1.00 0.00 C ATOM 1238 C PRO A 83 -11.953 0.618 7.290 1.00 0.00 C ATOM 1239 O PRO A 83 -12.338 -0.186 8.139 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.118 -0.837 5.603 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.515 -1.672 4.524 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.030 -1.506 4.659 1.00 0.00 C ATOM 0 HA PRO A 83 -12.493 1.266 5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.240 -1.410 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.107 -0.479 5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.803 -2.718 4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.857 -1.347 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.602 -2.236 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.521 -1.631 3.704 1.00 0.00 H new ATOM 1250 N THR A 84 -11.339 1.765 7.586 1.00 0.00 N ATOM 1251 CA THR A 84 -11.059 2.182 8.961 1.00 0.00 C ATOM 1252 C THR A 84 -10.572 1.013 9.819 1.00 0.00 C ATOM 1253 O THR A 84 -10.778 0.990 11.033 1.00 0.00 O ATOM 1254 CB THR A 84 -12.298 2.832 9.593 1.00 0.00 C ATOM 1255 OG1 THR A 84 -11.950 3.508 10.788 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.404 1.854 9.925 1.00 0.00 C ATOM 0 H THR A 84 -11.022 2.430 6.880 1.00 0.00 H new ATOM 0 HA THR A 84 -10.257 2.920 8.922 1.00 0.00 H new ATOM 0 HB THR A 84 -12.672 3.521 8.836 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.728 4.440 10.584 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.243 2.390 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.733 1.354 9.014 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.034 1.112 10.633 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.902 0.057 9.181 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.376 -1.110 9.881 1.00 0.00 C ATOM 1266 C LEU A 85 -8.006 -0.810 10.479 1.00 0.00 C ATOM 1267 O LEU A 85 -7.331 -1.701 10.996 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.280 -2.300 8.923 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.447 -3.285 8.999 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.703 -3.913 7.637 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.173 -4.358 10.041 1.00 0.00 C ATOM 0 H LEU A 85 -9.711 0.068 8.179 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.059 -1.359 10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.209 -1.922 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.355 -2.839 9.128 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.341 -2.738 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.537 -4.611 7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.945 -3.132 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.811 -4.446 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.014 -5.050 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.268 -4.903 9.773 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.040 -3.892 11.017 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.615 0.459 10.422 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.323 0.895 10.943 1.00 0.00 C ATOM 1285 C ALA A 86 -6.271 0.824 12.469 1.00 0.00 C ATOM 1286 O ALA A 86 -5.353 1.361 13.089 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.026 2.310 10.474 1.00 0.00 C ATOM 0 H ALA A 86 -8.178 1.208 10.018 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.563 0.216 10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.060 2.628 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.001 2.334 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.804 2.983 10.834 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.255 0.158 13.068 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.307 0.039 14.515 1.00 0.00 C ATOM 1295 C GLY A 87 -6.019 -0.497 15.114 1.00 0.00 C ATOM 1296 O GLY A 87 -5.744 -0.281 16.295 1.00 0.00 O ATOM 0 H GLY A 87 -8.020 -0.303 12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.523 1.016 14.947 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.131 -0.620 14.790 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.227 -1.195 14.305 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.967 -1.758 14.777 1.00 0.00 C ATOM 1302 C LYS A 88 -3.041 -2.101 13.610 1.00 0.00 C ATOM 1303 O LYS A 88 -2.203 -2.992 13.711 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.232 -3.011 15.625 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.976 -3.634 16.224 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.261 -2.674 17.159 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.790 -2.542 16.797 1.00 0.00 C ATOM 1308 NZ LYS A 88 0.029 -2.095 17.957 1.00 0.00 N ATOM 0 H LYS A 88 -5.434 -1.383 13.324 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.472 -1.006 15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.917 -2.752 16.433 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.735 -3.755 15.007 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.244 -4.540 16.768 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.300 -3.932 15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.738 -1.695 17.113 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.355 -3.026 18.186 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.417 -3.501 16.437 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.680 -1.830 15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.587 -1.260 17.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.597 -1.851 18.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.670 -2.862 18.245 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.199 -1.411 12.492 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.342 -1.668 11.347 1.00 0.00 C ATOM 1324 C ILE A 89 -0.996 -0.964 11.496 1.00 0.00 C ATOM 1325 O ILE A 89 -0.043 -1.546 12.003 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.003 -1.257 10.025 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.347 -1.973 9.874 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.079 -1.591 8.866 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.222 -1.411 8.779 1.00 0.00 C ATOM 0 H ILE A 89 -3.899 -0.682 12.354 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.177 -2.745 11.319 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.184 -0.182 10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.164 -3.029 9.673 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.885 -1.917 10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.551 -1.298 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.139 -1.052 8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.883 -2.663 8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.156 -1.972 8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.437 -0.363 8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.705 -1.492 7.823 1.00 0.00 H new ATOM 1341 N THR A 90 -0.926 0.288 11.052 1.00 0.00 N ATOM 1342 CA THR A 90 0.307 1.069 11.124 1.00 0.00 C ATOM 1343 C THR A 90 0.886 1.059 12.537 1.00 0.00 C ATOM 1344 O THR A 90 2.101 0.978 12.713 1.00 0.00 O ATOM 1345 CB THR A 90 0.030 2.499 10.648 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.706 2.753 9.429 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.429 3.586 11.625 1.00 0.00 C ATOM 0 H THR A 90 -1.713 0.786 10.636 1.00 0.00 H new ATOM 0 HA THR A 90 1.053 0.616 10.471 1.00 0.00 H new ATOM 0 HB THR A 90 -1.053 2.542 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.527 3.257 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.194 4.562 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.119 3.456 12.558 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.499 3.524 11.821 1.00 0.00 H new ATOM 1355 N GLY A 91 0.016 1.141 13.540 1.00 0.00 N ATOM 1356 CA GLY A 91 0.482 1.079 14.912 1.00 0.00 C ATOM 1357 C GLY A 91 1.251 -0.199 15.156 1.00 0.00 C ATOM 1358 O GLY A 91 2.204 -0.233 15.936 1.00 0.00 O ATOM 0 H GLY A 91 -0.992 1.248 13.429 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.118 1.938 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.367 1.134 15.593 1.00 0.00 H new ATOM 1362 N MET A 92 0.851 -1.242 14.439 1.00 0.00 N ATOM 1363 CA MET A 92 1.522 -2.535 14.509 1.00 0.00 C ATOM 1364 C MET A 92 2.838 -2.479 13.762 1.00 0.00 C ATOM 1365 O MET A 92 3.811 -3.124 14.138 1.00 0.00 O ATOM 1366 CB MET A 92 0.646 -3.622 13.880 1.00 0.00 C ATOM 1367 CG MET A 92 0.732 -4.965 14.581 1.00 0.00 C ATOM 1368 SD MET A 92 -0.776 -5.938 14.406 1.00 0.00 S ATOM 1369 CE MET A 92 -0.903 -6.049 12.622 1.00 0.00 C ATOM 0 H MET A 92 0.059 -1.217 13.797 1.00 0.00 H new ATOM 0 HA MET A 92 1.702 -2.770 15.558 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.391 -3.287 13.885 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.935 -3.749 12.837 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.572 -5.529 14.176 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.936 -4.805 15.640 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.299 -7.026 12.346 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.572 -5.270 12.256 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.084 -5.918 12.178 1.00 0.00 H new ATOM 1379 N LEU A 93 2.839 -1.702 12.689 1.00 0.00 N ATOM 1380 CA LEU A 93 3.997 -1.571 11.822 1.00 0.00 C ATOM 1381 C LEU A 93 5.224 -1.073 12.571 1.00 0.00 C ATOM 1382 O LEU A 93 6.321 -1.030 12.016 1.00 0.00 O ATOM 1383 CB LEU A 93 3.663 -0.635 10.676 1.00 0.00 C ATOM 1384 CG LEU A 93 3.000 -1.312 9.475 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.954 -2.311 8.839 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.711 -1.998 9.897 1.00 0.00 C ATOM 0 H LEU A 93 2.036 -1.145 12.396 1.00 0.00 H new ATOM 0 HA LEU A 93 4.241 -2.560 11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.002 0.149 11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.580 -0.149 10.342 1.00 0.00 H new ATOM 0 HG LEU A 93 2.756 -0.549 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.469 -2.785 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.853 -1.793 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.225 -3.072 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.252 -2.475 9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.931 -2.753 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.024 -1.259 10.311 1.00 0.00 H new ATOM 1398 N LEU A 94 5.044 -0.697 13.826 1.00 0.00 N ATOM 1399 CA LEU A 94 6.158 -0.278 14.649 1.00 0.00 C ATOM 1400 C LEU A 94 6.383 -1.313 15.737 1.00 0.00 C ATOM 1401 O LEU A 94 6.844 -1.004 16.837 1.00 0.00 O ATOM 1402 CB LEU A 94 5.892 1.103 15.238 1.00 0.00 C ATOM 1403 CG LEU A 94 6.508 2.261 14.445 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.096 2.174 12.981 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.105 3.599 15.045 1.00 0.00 C ATOM 0 H LEU A 94 4.138 -0.674 14.293 1.00 0.00 H new ATOM 0 HA LEU A 94 7.061 -0.204 14.043 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.815 1.256 15.302 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.279 1.130 16.257 1.00 0.00 H new ATOM 0 HG LEU A 94 7.594 2.183 14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.540 3.002 12.428 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.443 1.230 12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.010 2.228 12.905 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.553 4.407 14.467 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.020 3.696 15.023 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.453 3.655 16.076 1.00 0.00 H new ATOM 1417 N GLU A 95 6.028 -2.551 15.405 1.00 0.00 N ATOM 1418 CA GLU A 95 6.160 -3.670 16.324 1.00 0.00 C ATOM 1419 C GLU A 95 5.963 -5.002 15.599 1.00 0.00 C ATOM 1420 O GLU A 95 6.056 -6.064 16.213 1.00 0.00 O ATOM 1421 CB GLU A 95 5.149 -3.542 17.469 1.00 0.00 C ATOM 1422 CG GLU A 95 3.728 -3.917 17.076 1.00 0.00 C ATOM 1423 CD GLU A 95 2.846 -4.214 18.276 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.334 -4.085 19.419 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.669 -4.576 18.071 1.00 0.00 O ATOM 0 H GLU A 95 5.643 -2.803 14.495 1.00 0.00 H new ATOM 0 HA GLU A 95 7.169 -3.649 16.736 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.467 -4.177 18.296 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.156 -2.515 17.835 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.288 -3.103 16.500 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.754 -4.791 16.425 1.00 0.00 H new ATOM 1432 N ILE A 96 5.712 -4.947 14.285 1.00 0.00 N ATOM 1433 CA ILE A 96 5.510 -6.169 13.500 1.00 0.00 C ATOM 1434 C ILE A 96 6.770 -7.032 13.479 1.00 0.00 C ATOM 1435 O ILE A 96 7.582 -7.007 14.404 1.00 0.00 O ATOM 1436 CB ILE A 96 5.138 -5.883 12.028 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.314 -5.256 11.283 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.899 -5.014 11.913 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.621 -3.842 11.689 1.00 0.00 C ATOM 0 H ILE A 96 5.645 -4.081 13.750 1.00 0.00 H new ATOM 0 HA ILE A 96 4.686 -6.686 13.992 1.00 0.00 H new ATOM 0 HB ILE A 96 4.905 -6.840 11.561 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.200 -5.869 11.446 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.104 -5.277 10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.674 -4.838 10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.056 -5.518 12.385 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.076 -4.060 12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.469 -3.474 11.112 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.752 -3.212 11.499 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.865 -3.813 12.751 1.00 0.00 H new ATOM 1451 N ASP A 97 6.948 -7.742 12.365 1.00 0.00 N ATOM 1452 CA ASP A 97 8.131 -8.546 12.123 1.00 0.00 C ATOM 1453 C ASP A 97 9.390 -7.687 12.191 1.00 0.00 C ATOM 1454 O ASP A 97 10.505 -8.197 12.087 1.00 0.00 O ATOM 1455 CB ASP A 97 8.016 -9.178 10.735 1.00 0.00 C ATOM 1456 CG ASP A 97 8.831 -10.449 10.601 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.470 -11.456 11.245 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.829 -10.438 9.851 1.00 0.00 O ATOM 0 H ASP A 97 6.268 -7.771 11.605 1.00 0.00 H new ATOM 0 HA ASP A 97 8.203 -9.319 12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.969 -9.399 10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.346 -8.459 9.985 1.00 0.00 H new ATOM 1463 N ASN A 98 9.184 -6.374 12.321 1.00 0.00 N ATOM 1464 CA ASN A 98 10.265 -5.394 12.388 1.00 0.00 C ATOM 1465 C ASN A 98 10.828 -5.099 11.008 1.00 0.00 C ATOM 1466 O ASN A 98 11.288 -3.990 10.735 1.00 0.00 O ATOM 1467 CB ASN A 98 11.380 -5.845 13.338 1.00 0.00 C ATOM 1468 CG ASN A 98 12.648 -6.273 12.618 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.368 -5.446 12.057 1.00 0.00 O ATOM 1470 ND2 ASN A 98 12.948 -7.566 12.661 1.00 0.00 N ATOM 0 H ASN A 98 8.254 -5.960 12.383 1.00 0.00 H new ATOM 0 HA ASN A 98 9.838 -4.474 12.787 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.617 -5.030 14.022 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.017 -6.675 13.944 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.802 -7.906 12.219 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.325 -8.219 13.136 1.00 0.00 H new ATOM 1477 N SER A 99 10.797 -6.099 10.146 1.00 0.00 N ATOM 1478 CA SER A 99 11.280 -5.937 8.781 1.00 0.00 C ATOM 1479 C SER A 99 10.368 -4.990 8.019 1.00 0.00 C ATOM 1480 O SER A 99 10.804 -4.272 7.120 1.00 0.00 O ATOM 1481 CB SER A 99 11.357 -7.285 8.066 1.00 0.00 C ATOM 1482 OG SER A 99 11.825 -8.300 8.936 1.00 0.00 O ATOM 0 H SER A 99 10.444 -7.031 10.363 1.00 0.00 H new ATOM 0 HA SER A 99 12.284 -5.515 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.372 -7.554 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.021 -7.206 7.205 1.00 0.00 H new ATOM 0 HG SER A 99 11.094 -8.921 9.137 1.00 0.00 H new ATOM 1488 N GLU A 100 9.099 -4.983 8.409 1.00 0.00 N ATOM 1489 CA GLU A 100 8.117 -4.093 7.813 1.00 0.00 C ATOM 1490 C GLU A 100 8.322 -2.677 8.318 1.00 0.00 C ATOM 1491 O GLU A 100 8.145 -1.714 7.578 1.00 0.00 O ATOM 1492 CB GLU A 100 6.709 -4.565 8.145 1.00 0.00 C ATOM 1493 CG GLU A 100 6.361 -5.914 7.552 1.00 0.00 C ATOM 1494 CD GLU A 100 6.832 -7.072 8.405 1.00 0.00 C ATOM 1495 OE1 GLU A 100 7.998 -7.489 8.246 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.030 -7.569 9.223 1.00 0.00 O ATOM 0 H GLU A 100 8.727 -5.589 9.140 1.00 0.00 H new ATOM 0 HA GLU A 100 8.246 -4.105 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.599 -4.615 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.994 -3.825 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.281 -5.981 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.806 -5.995 6.560 1.00 0.00 H new ATOM 1503 N LEU A 101 8.715 -2.563 9.583 1.00 0.00 N ATOM 1504 CA LEU A 101 8.977 -1.265 10.182 1.00 0.00 C ATOM 1505 C LEU A 101 10.172 -0.608 9.502 1.00 0.00 C ATOM 1506 O LEU A 101 10.247 0.614 9.401 1.00 0.00 O ATOM 1507 CB LEU A 101 9.225 -1.413 11.691 1.00 0.00 C ATOM 1508 CG LEU A 101 10.652 -1.119 12.166 1.00 0.00 C ATOM 1509 CD1 LEU A 101 10.774 0.327 12.621 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.046 -2.068 13.289 1.00 0.00 C ATOM 0 H LEU A 101 8.858 -3.355 10.210 1.00 0.00 H new ATOM 0 HA LEU A 101 8.104 -0.628 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.542 -0.747 12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.968 -2.431 11.984 1.00 0.00 H new ATOM 0 HG LEU A 101 11.333 -1.275 11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.794 0.519 12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.533 0.991 11.791 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.083 0.509 13.444 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.062 -1.845 13.614 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.361 -1.943 14.128 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.997 -3.096 12.930 1.00 0.00 H new ATOM 1522 N LEU A 102 11.090 -1.435 9.018 1.00 0.00 N ATOM 1523 CA LEU A 102 12.283 -0.943 8.339 1.00 0.00 C ATOM 1524 C LEU A 102 11.992 -0.604 6.881 1.00 0.00 C ATOM 1525 O LEU A 102 12.393 0.448 6.383 1.00 0.00 O ATOM 1526 CB LEU A 102 13.392 -1.993 8.400 1.00 0.00 C ATOM 1527 CG LEU A 102 14.440 -1.769 9.491 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.834 -2.000 10.868 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.638 -2.681 9.275 1.00 0.00 C ATOM 0 H LEU A 102 11.031 -2.451 9.083 1.00 0.00 H new ATOM 0 HA LEU A 102 12.604 -0.035 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.936 -2.972 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.896 -2.022 7.434 1.00 0.00 H new ATOM 0 HG LEU A 102 14.781 -0.735 9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.594 -1.836 11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.008 -1.306 11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.466 -3.024 10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.373 -2.508 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.313 -3.721 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.087 -2.468 8.305 1.00 0.00 H new ATOM 1541 N HIS A 103 11.321 -1.522 6.191 1.00 0.00 N ATOM 1542 CA HIS A 103 11.016 -1.351 4.781 1.00 0.00 C ATOM 1543 C HIS A 103 10.069 -0.175 4.551 1.00 0.00 C ATOM 1544 O HIS A 103 10.262 0.616 3.627 1.00 0.00 O ATOM 1545 CB HIS A 103 10.396 -2.641 4.243 1.00 0.00 C ATOM 1546 CG HIS A 103 11.015 -3.128 2.968 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.649 -2.432 1.990 1.00 0.00 N flip ATOM 1548 CD2 HIS A 103 11.003 -4.461 2.632 1.00 0.00 C flip ATOM 1549 CE1 HIS A 103 12.029 -3.345 1.041 1.00 0.00 C flip ATOM 1550 NE2 HIS A 103 11.621 -4.548 1.467 1.00 0.00 N flip ATOM 0 H HIS A 103 10.978 -2.395 6.592 1.00 0.00 H new ATOM 0 HA HIS A 103 11.942 -1.134 4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.488 -3.420 5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.331 -2.479 4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.576 -5.272 3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.558 -3.134 0.123 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.768 -5.419 0.958 1.00 0.00 H new ATOM 1558 N MET A 104 9.044 -0.074 5.389 1.00 0.00 N ATOM 1559 CA MET A 104 8.052 0.987 5.274 1.00 0.00 C ATOM 1560 C MET A 104 8.700 2.369 5.306 1.00 0.00 C ATOM 1561 O MET A 104 8.216 3.303 4.667 1.00 0.00 O ATOM 1562 CB MET A 104 7.040 0.872 6.414 1.00 0.00 C ATOM 1563 CG MET A 104 7.651 1.136 7.777 1.00 0.00 C ATOM 1564 SD MET A 104 6.586 2.117 8.848 1.00 0.00 S ATOM 1565 CE MET A 104 5.002 1.350 8.527 1.00 0.00 C ATOM 0 H MET A 104 8.878 -0.720 6.161 1.00 0.00 H new ATOM 0 HA MET A 104 7.549 0.871 4.314 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.227 1.578 6.243 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.603 -0.126 6.405 1.00 0.00 H new ATOM 0 HG2 MET A 104 7.868 0.184 8.262 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.602 1.652 7.649 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.331 1.535 9.366 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.571 1.771 7.618 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.137 0.276 8.401 1.00 0.00 H new ATOM 1575 N LEU A 105 9.776 2.502 6.075 1.00 0.00 N ATOM 1576 CA LEU A 105 10.471 3.777 6.197 1.00 0.00 C ATOM 1577 C LEU A 105 11.494 3.945 5.089 1.00 0.00 C ATOM 1578 O LEU A 105 12.043 5.030 4.896 1.00 0.00 O ATOM 1579 CB LEU A 105 11.174 3.878 7.552 1.00 0.00 C ATOM 1580 CG LEU A 105 10.331 3.468 8.759 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.185 3.438 10.017 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.157 4.414 8.931 1.00 0.00 C ATOM 0 H LEU A 105 10.184 1.744 6.622 1.00 0.00 H new ATOM 0 HA LEU A 105 9.726 4.569 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.068 3.255 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.506 4.906 7.694 1.00 0.00 H new ATOM 0 HG LEU A 105 9.941 2.465 8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.570 3.144 10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.995 2.720 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.603 4.428 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.567 4.108 9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.526 5.428 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.534 4.386 8.037 1.00 0.00 H new ATOM 1594 N GLU A 106 11.756 2.863 4.367 1.00 0.00 N ATOM 1595 CA GLU A 106 12.763 2.891 3.318 1.00 0.00 C ATOM 1596 C GLU A 106 12.150 2.868 1.918 1.00 0.00 C ATOM 1597 O GLU A 106 12.867 3.006 0.926 1.00 0.00 O ATOM 1598 CB GLU A 106 13.729 1.710 3.492 1.00 0.00 C ATOM 1599 CG GLU A 106 13.386 0.494 2.642 1.00 0.00 C ATOM 1600 CD GLU A 106 14.249 0.387 1.398 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.426 0.802 1.453 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.746 -0.113 0.370 1.00 0.00 O ATOM 0 H GLU A 106 11.290 1.964 4.488 1.00 0.00 H new ATOM 0 HA GLU A 106 13.306 3.831 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.738 2.040 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.739 1.415 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.506 -0.409 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.337 0.545 2.349 1.00 0.00 H new ATOM 1609 N SER A 107 10.833 2.693 1.826 1.00 0.00 N ATOM 1610 CA SER A 107 10.184 2.634 0.520 1.00 0.00 C ATOM 1611 C SER A 107 8.810 3.301 0.529 1.00 0.00 C ATOM 1612 O SER A 107 8.033 3.129 1.467 1.00 0.00 O ATOM 1613 CB SER A 107 10.045 1.179 0.071 1.00 0.00 C ATOM 1614 OG SER A 107 10.173 1.063 -1.336 1.00 0.00 O ATOM 0 H SER A 107 10.206 2.591 2.624 1.00 0.00 H new ATOM 0 HA SER A 107 10.814 3.182 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.806 0.570 0.560 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.076 0.790 0.384 1.00 0.00 H new ATOM 0 HG SER A 107 10.082 0.123 -1.596 1.00 0.00 H new ATOM 1620 N PRO A 108 8.485 4.054 -0.543 1.00 0.00 N ATOM 1621 CA PRO A 108 7.188 4.723 -0.674 1.00 0.00 C ATOM 1622 C PRO A 108 6.080 3.742 -1.042 1.00 0.00 C ATOM 1623 O PRO A 108 4.932 4.131 -1.254 1.00 0.00 O ATOM 1624 CB PRO A 108 7.423 5.718 -1.808 1.00 0.00 C ATOM 1625 CG PRO A 108 8.466 5.075 -2.657 1.00 0.00 C ATOM 1626 CD PRO A 108 9.349 4.297 -1.716 1.00 0.00 C ATOM 0 HA PRO A 108 6.863 5.189 0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.508 5.900 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.760 6.682 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.013 4.418 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.041 5.824 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.687 3.363 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.241 4.862 -1.446 1.00 0.00 H new ATOM 1634 N GLU A 109 6.444 2.468 -1.124 1.00 0.00 N ATOM 1635 CA GLU A 109 5.493 1.413 -1.452 1.00 0.00 C ATOM 1636 C GLU A 109 5.519 0.327 -0.386 1.00 0.00 C ATOM 1637 O GLU A 109 4.634 -0.525 -0.335 1.00 0.00 O ATOM 1638 CB GLU A 109 5.818 0.813 -2.820 1.00 0.00 C ATOM 1639 CG GLU A 109 5.753 1.822 -3.956 1.00 0.00 C ATOM 1640 CD GLU A 109 6.842 1.611 -4.991 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.608 0.634 -4.859 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.929 2.427 -5.933 1.00 0.00 O ATOM 0 H GLU A 109 7.397 2.139 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 109 4.493 1.846 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.816 0.377 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.122 0.000 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.779 1.755 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.837 2.829 -3.547 1.00 0.00 H new ATOM 1649 N SER A 110 6.535 0.367 0.471 1.00 0.00 N ATOM 1650 CA SER A 110 6.639 -0.586 1.564 1.00 0.00 C ATOM 1651 C SER A 110 5.710 -0.177 2.686 1.00 0.00 C ATOM 1652 O SER A 110 4.948 -0.986 3.203 1.00 0.00 O ATOM 1653 CB SER A 110 8.071 -0.677 2.077 1.00 0.00 C ATOM 1654 OG SER A 110 8.701 -1.857 1.614 1.00 0.00 O ATOM 0 H SER A 110 7.294 1.047 0.428 1.00 0.00 H new ATOM 0 HA SER A 110 6.350 -1.570 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.636 0.195 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.072 -0.663 3.167 1.00 0.00 H new ATOM 0 HG SER A 110 9.272 -1.644 0.847 1.00 0.00 H new ATOM 1660 N LEU A 111 5.746 1.100 3.019 1.00 0.00 N ATOM 1661 CA LEU A 111 4.855 1.650 4.017 1.00 0.00 C ATOM 1662 C LEU A 111 3.430 1.182 3.737 1.00 0.00 C ATOM 1663 O LEU A 111 2.703 0.780 4.644 1.00 0.00 O ATOM 1664 CB LEU A 111 4.953 3.179 3.965 1.00 0.00 C ATOM 1665 CG LEU A 111 4.401 3.957 5.165 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.032 3.444 5.586 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.378 3.908 6.324 1.00 0.00 C ATOM 0 H LEU A 111 6.388 1.778 2.608 1.00 0.00 H new ATOM 0 HA LEU A 111 5.134 1.309 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.003 3.446 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.431 3.521 3.071 1.00 0.00 H new ATOM 0 HG LEU A 111 4.277 4.996 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.674 4.020 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.333 3.551 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.107 2.393 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.970 4.465 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.541 2.871 6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.326 4.352 6.020 1.00 0.00 H new ATOM 1679 N ARG A 112 3.068 1.166 2.462 1.00 0.00 N ATOM 1680 CA ARG A 112 1.738 0.743 2.052 1.00 0.00 C ATOM 1681 C ARG A 112 1.619 -0.781 2.035 1.00 0.00 C ATOM 1682 O ARG A 112 0.798 -1.352 2.750 1.00 0.00 O ATOM 1683 CB ARG A 112 1.404 1.326 0.675 1.00 0.00 C ATOM 1684 CG ARG A 112 0.587 0.396 -0.204 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.030 1.137 -1.379 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.454 0.225 -2.438 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.721 -0.110 -2.662 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.689 0.391 -1.905 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.022 -0.947 -3.645 1.00 0.00 N ATOM 0 H ARG A 112 3.679 1.442 1.693 1.00 0.00 H new ATOM 0 HA ARG A 112 1.021 1.121 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.856 2.258 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.333 1.574 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.223 -0.409 -0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.201 -0.068 0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.887 1.715 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.693 1.847 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 112 0.263 -0.178 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.462 1.036 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.660 0.131 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.281 -1.334 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.994 -1.204 -3.816 1.00 0.00 H new ATOM 1703 N SER A 113 2.428 -1.430 1.199 1.00 0.00 N ATOM 1704 CA SER A 113 2.396 -2.885 1.069 1.00 0.00 C ATOM 1705 C SER A 113 2.469 -3.560 2.433 1.00 0.00 C ATOM 1706 O SER A 113 1.624 -4.386 2.774 1.00 0.00 O ATOM 1707 CB SER A 113 3.552 -3.364 0.189 1.00 0.00 C ATOM 1708 OG SER A 113 3.648 -4.778 0.197 1.00 0.00 O ATOM 0 H SER A 113 3.114 -0.970 0.601 1.00 0.00 H new ATOM 0 HA SER A 113 1.451 -3.159 0.601 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.406 -3.012 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.487 -2.931 0.544 1.00 0.00 H new ATOM 0 HG SER A 113 4.393 -5.059 -0.374 1.00 0.00 H new ATOM 1714 N LYS A 114 3.480 -3.192 3.212 1.00 0.00 N ATOM 1715 CA LYS A 114 3.674 -3.761 4.539 1.00 0.00 C ATOM 1716 C LYS A 114 2.475 -3.489 5.441 1.00 0.00 C ATOM 1717 O LYS A 114 2.183 -4.278 6.339 1.00 0.00 O ATOM 1718 CB LYS A 114 4.947 -3.204 5.180 1.00 0.00 C ATOM 1719 CG LYS A 114 6.196 -3.427 4.341 1.00 0.00 C ATOM 1720 CD LYS A 114 6.577 -4.898 4.283 1.00 0.00 C ATOM 1721 CE LYS A 114 6.577 -5.417 2.855 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.811 -5.023 2.121 1.00 0.00 N ATOM 0 H LYS A 114 4.180 -2.500 2.945 1.00 0.00 H new ATOM 0 HA LYS A 114 3.775 -4.840 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.820 -2.135 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.087 -3.669 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.027 -3.054 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.023 -2.853 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.565 -5.037 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.877 -5.480 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.491 -6.504 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.703 -5.032 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.646 -5.103 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.056 -4.040 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.594 -5.650 2.396 1.00 0.00 H new ATOM 1736 N VAL A 115 1.781 -2.372 5.211 1.00 0.00 N ATOM 1737 CA VAL A 115 0.602 -2.051 6.007 1.00 0.00 C ATOM 1738 C VAL A 115 -0.552 -2.968 5.613 1.00 0.00 C ATOM 1739 O VAL A 115 -1.002 -3.781 6.420 1.00 0.00 O ATOM 1740 CB VAL A 115 0.194 -0.565 5.867 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.315 -0.388 5.984 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.904 0.271 6.920 1.00 0.00 C ATOM 0 H VAL A 115 2.012 -1.687 4.492 1.00 0.00 H new ATOM 0 HA VAL A 115 0.850 -2.214 7.056 1.00 0.00 H new ATOM 0 HB VAL A 115 0.493 -0.226 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.567 0.668 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.810 -0.957 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.649 -0.747 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.611 1.315 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.629 -0.084 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.982 0.182 6.789 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.981 -2.882 4.353 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.051 -3.739 3.852 1.00 0.00 C ATOM 1754 C ASP A 116 -1.783 -5.201 4.204 1.00 0.00 C ATOM 1755 O ASP A 116 -2.707 -5.964 4.493 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.188 -3.584 2.336 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.547 -4.026 1.828 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.969 -5.152 2.164 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.190 -3.245 1.095 1.00 0.00 O ATOM 0 H ASP A 116 -0.604 -2.230 3.665 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.983 -3.433 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.024 -2.541 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.411 -4.168 1.843 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.508 -5.580 4.191 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.109 -6.941 4.531 1.00 0.00 C ATOM 1766 C GLU A 117 -0.237 -7.174 6.030 1.00 0.00 C ATOM 1767 O GLU A 117 -0.739 -8.210 6.465 1.00 0.00 O ATOM 1768 CB GLU A 117 1.330 -7.204 4.081 1.00 0.00 C ATOM 1769 CG GLU A 117 1.431 -8.070 2.835 1.00 0.00 C ATOM 1770 CD GLU A 117 2.422 -9.207 2.992 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.425 -9.025 3.714 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.196 -10.278 2.392 1.00 0.00 O ATOM 0 H GLU A 117 0.267 -4.962 3.948 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.772 -7.633 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.822 -6.250 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.873 -7.687 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.448 -8.480 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.727 -7.450 1.989 1.00 0.00 H new ATOM 1779 N ALA A 118 0.209 -6.197 6.817 1.00 0.00 N ATOM 1780 CA ALA A 118 0.104 -6.287 8.266 1.00 0.00 C ATOM 1781 C ALA A 118 -1.355 -6.362 8.677 1.00 0.00 C ATOM 1782 O ALA A 118 -1.683 -6.846 9.756 1.00 0.00 O ATOM 1783 CB ALA A 118 0.784 -5.108 8.939 1.00 0.00 C ATOM 0 H ALA A 118 0.644 -5.340 6.475 1.00 0.00 H new ATOM 0 HA ALA A 118 0.612 -7.195 8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.689 -5.202 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.839 -5.093 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.312 -4.181 8.613 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.224 -5.884 7.795 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.655 -5.939 8.024 1.00 0.00 C ATOM 1791 C VAL A 119 -4.112 -7.380 8.048 1.00 0.00 C ATOM 1792 O VAL A 119 -4.854 -7.798 8.933 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.407 -5.187 6.933 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.907 -5.224 7.170 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.902 -3.772 6.892 1.00 0.00 C ATOM 0 H VAL A 119 -1.956 -5.452 6.911 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.868 -5.468 8.983 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.227 -5.669 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.415 -4.679 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.249 -6.259 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.135 -4.761 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.431 -3.219 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.074 -3.296 7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.834 -3.773 6.674 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.635 -8.140 7.072 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.920 -9.559 7.001 1.00 0.00 C ATOM 1807 C ALA A 120 -3.423 -10.239 8.268 1.00 0.00 C ATOM 1808 O ALA A 120 -3.964 -11.256 8.706 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.252 -10.154 5.772 1.00 0.00 C ATOM 0 H ALA A 120 -3.046 -7.791 6.316 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.995 -9.716 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.468 -11.221 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.634 -9.663 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.174 -10.005 5.836 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.402 -9.634 8.866 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.816 -10.128 10.098 1.00 0.00 C ATOM 1817 C VAL A 121 -2.622 -9.648 11.303 1.00 0.00 C ATOM 1818 O VAL A 121 -2.738 -10.349 12.308 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.354 -9.655 10.222 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.150 -9.794 11.646 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.535 -10.423 9.256 1.00 0.00 C ATOM 0 H VAL A 121 -1.960 -8.788 8.507 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.835 -11.218 10.075 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.317 -8.597 9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.184 -9.452 11.701 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.468 -9.190 12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.097 -10.839 11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.564 -10.078 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.486 -11.488 9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.193 -10.255 8.235 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.183 -8.448 11.186 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.998 -7.872 12.248 1.00 0.00 C ATOM 1833 C LEU A 122 -5.327 -8.609 12.341 1.00 0.00 C ATOM 1834 O LEU A 122 -5.836 -8.866 13.431 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.215 -6.373 11.993 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.673 -5.901 11.946 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.027 -5.150 13.221 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.911 -5.025 10.727 1.00 0.00 C ATOM 0 H LEU A 122 -3.087 -7.854 10.362 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.479 -7.982 13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.698 -5.814 12.773 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.740 -6.114 11.047 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.318 -6.776 11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.065 -4.821 13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.894 -5.808 14.080 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.376 -4.282 13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.951 -4.699 10.710 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.259 -4.153 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.694 -5.593 9.823 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.871 -8.960 11.182 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.120 -9.699 11.110 1.00 0.00 C ATOM 1852 C GLN A 123 -6.926 -11.106 11.661 1.00 0.00 C ATOM 1853 O GLN A 123 -7.855 -11.712 12.189 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.611 -9.759 9.660 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.148 -8.435 9.144 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.608 -8.512 8.742 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.458 -8.943 9.521 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.907 -8.095 7.517 1.00 0.00 N ATOM 0 H GLN A 123 -5.461 -8.741 10.274 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.871 -9.188 11.713 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.790 -10.082 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.393 -10.514 9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.027 -7.674 9.915 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.556 -8.117 8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.171 -7.745 6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.873 -8.125 7.190 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.702 -11.610 11.538 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.360 -12.937 12.036 1.00 0.00 C ATOM 1869 C ALA A 124 -4.898 -12.879 13.487 1.00 0.00 C ATOM 1870 O ALA A 124 -4.710 -13.913 14.128 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.277 -13.558 11.167 1.00 0.00 C ATOM 0 H ALA A 124 -4.927 -11.116 11.095 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.256 -13.557 11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.029 -14.549 11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.637 -13.643 10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.388 -12.928 11.188 1.00 0.00 H new