USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= 0.233 K(o=0.5,f=-4.4) USER MOD Set 1.2: A 110 SER OG : rot 146:sc= 0.264 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.387 USER MOD Set 2.2: A 57 MET CE :methyl -170:sc= -1.08 (180deg=-1.42) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -27:sc= 0.329 USER MOD Single : A 66 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 69 MET CE :methyl 172:sc= -0.66 (180deg=-0.73) USER MOD Single : A 79 GLN : amide:sc= 0.0192 X(o=0.019,f=0) USER MOD Single : A 81 MET CE :methyl -171:sc= -2.71 (180deg=-2.8!) USER MOD Single : A 82 HIS : no HD1:sc= -6.8! C(o=-6.8!,f=-12!) USER MOD Single : A 84 THR OG1 : rot -36:sc= 1.02 USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= -1.29 (180deg=-2.01!) USER MOD Single : A 90 THR OG1 : rot -100:sc= -3.02! USER MOD Single : A 92 MET CE :methyl -118:sc= -6.45! (180deg=-8.65!) USER MOD Single : A 98 ASN : amide:sc= -0.91 K(o=-0.91,f=-2.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 166:sc= -8.16! (180deg=-9.06!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 73:sc= -2.24! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.75 X(o=-0.75,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.646 9.089 4.069 1.00 0.00 N ATOM 766 CA LEU A 53 1.952 9.015 4.713 1.00 0.00 C ATOM 767 C LEU A 53 2.702 7.755 4.287 1.00 0.00 C ATOM 768 O LEU A 53 2.092 6.723 4.006 1.00 0.00 O ATOM 769 CB LEU A 53 1.795 9.030 6.234 1.00 0.00 C ATOM 770 CG LEU A 53 2.847 9.843 6.992 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.204 11.029 7.692 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.573 8.967 7.999 1.00 0.00 C ATOM 0 HA LEU A 53 2.529 9.885 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.809 9.426 6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.824 8.002 6.596 1.00 0.00 H new ATOM 0 HG LEU A 53 3.573 10.219 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.968 11.595 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.726 11.672 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.456 10.672 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.317 9.562 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.856 8.563 8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.067 8.147 7.478 1.00 0.00 H new ATOM 784 N THR A 54 4.027 7.853 4.235 1.00 0.00 N ATOM 785 CA THR A 54 4.872 6.724 3.858 1.00 0.00 C ATOM 786 C THR A 54 6.334 7.038 4.156 1.00 0.00 C ATOM 787 O THR A 54 6.636 7.992 4.873 1.00 0.00 O ATOM 788 CB THR A 54 4.702 6.384 2.374 1.00 0.00 C ATOM 789 OG1 THR A 54 3.808 7.287 1.747 1.00 0.00 O ATOM 790 CG2 THR A 54 4.184 4.980 2.136 1.00 0.00 C ATOM 0 H THR A 54 4.541 8.707 4.450 1.00 0.00 H new ATOM 0 HA THR A 54 4.565 5.859 4.446 1.00 0.00 H new ATOM 0 HB THR A 54 5.701 6.462 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.716 7.052 0.800 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.087 4.805 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.882 4.258 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.210 4.866 2.612 1.00 0.00 H new ATOM 798 N ALA A 55 7.235 6.237 3.598 1.00 0.00 N ATOM 799 CA ALA A 55 8.665 6.431 3.815 1.00 0.00 C ATOM 800 C ALA A 55 9.098 7.839 3.422 1.00 0.00 C ATOM 801 O ALA A 55 9.944 8.442 4.082 1.00 0.00 O ATOM 802 CB ALA A 55 9.463 5.399 3.038 1.00 0.00 C ATOM 0 H ALA A 55 7.002 5.449 2.994 1.00 0.00 H new ATOM 0 HA ALA A 55 8.862 6.302 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.528 5.557 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.186 4.399 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.249 5.499 1.974 1.00 0.00 H new ATOM 808 N SER A 56 8.520 8.353 2.341 1.00 0.00 N ATOM 809 CA SER A 56 8.845 9.694 1.869 1.00 0.00 C ATOM 810 C SER A 56 8.521 10.729 2.938 1.00 0.00 C ATOM 811 O SER A 56 9.338 11.600 3.242 1.00 0.00 O ATOM 812 CB SER A 56 8.077 10.010 0.586 1.00 0.00 C ATOM 813 OG SER A 56 8.152 8.934 -0.333 1.00 0.00 O ATOM 0 H SER A 56 7.826 7.863 1.777 1.00 0.00 H new ATOM 0 HA SER A 56 9.914 9.732 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.034 10.216 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.483 10.912 0.128 1.00 0.00 H new ATOM 0 HG SER A 56 7.651 9.161 -1.144 1.00 0.00 H new ATOM 819 N MET A 57 7.329 10.616 3.516 1.00 0.00 N ATOM 820 CA MET A 57 6.905 11.519 4.577 1.00 0.00 C ATOM 821 C MET A 57 7.883 11.457 5.741 1.00 0.00 C ATOM 822 O MET A 57 8.276 12.482 6.296 1.00 0.00 O ATOM 823 CB MET A 57 5.501 11.148 5.059 1.00 0.00 C ATOM 824 CG MET A 57 4.376 11.662 4.170 1.00 0.00 C ATOM 825 SD MET A 57 4.960 12.361 2.612 1.00 0.00 S ATOM 826 CE MET A 57 4.674 10.988 1.498 1.00 0.00 C ATOM 0 H MET A 57 6.640 9.907 3.266 1.00 0.00 H new ATOM 0 HA MET A 57 6.887 12.535 4.182 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.428 10.063 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.360 11.540 6.066 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.687 10.844 3.958 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.812 12.421 4.712 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.144 11.195 0.537 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.101 10.080 1.923 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.602 10.852 1.356 1.00 0.00 H new ATOM 836 N LEU A 58 8.280 10.239 6.094 1.00 0.00 N ATOM 837 CA LEU A 58 9.230 10.018 7.174 1.00 0.00 C ATOM 838 C LEU A 58 10.529 10.767 6.905 1.00 0.00 C ATOM 839 O LEU A 58 11.049 11.471 7.771 1.00 0.00 O ATOM 840 CB LEU A 58 9.521 8.519 7.311 1.00 0.00 C ATOM 841 CG LEU A 58 8.453 7.672 8.022 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.231 8.502 8.400 1.00 0.00 C ATOM 843 CD2 LEU A 58 8.050 6.499 7.141 1.00 0.00 C ATOM 0 H LEU A 58 7.954 9.384 5.642 1.00 0.00 H new ATOM 0 HA LEU A 58 8.795 10.391 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.672 8.109 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.462 8.402 7.849 1.00 0.00 H new ATOM 0 HG LEU A 58 8.886 7.294 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.500 7.867 8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.531 9.307 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.787 8.927 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.293 5.904 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.644 6.873 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.923 5.879 6.939 1.00 0.00 H new ATOM 855 N ALA A 59 11.045 10.605 5.692 1.00 0.00 N ATOM 856 CA ALA A 59 12.288 11.254 5.288 1.00 0.00 C ATOM 857 C ALA A 59 12.100 12.758 5.110 1.00 0.00 C ATOM 858 O ALA A 59 13.054 13.482 4.827 1.00 0.00 O ATOM 859 CB ALA A 59 12.811 10.632 4.002 1.00 0.00 C ATOM 0 H ALA A 59 10.620 10.027 4.967 1.00 0.00 H new ATOM 0 HA ALA A 59 13.019 11.101 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.739 11.125 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.998 9.570 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.071 10.755 3.211 1.00 0.00 H new ATOM 865 N SER A 60 10.864 13.220 5.269 1.00 0.00 N ATOM 866 CA SER A 60 10.552 14.638 5.117 1.00 0.00 C ATOM 867 C SER A 60 10.730 15.386 6.434 1.00 0.00 C ATOM 868 O SER A 60 10.649 16.614 6.475 1.00 0.00 O ATOM 869 CB SER A 60 9.122 14.814 4.608 1.00 0.00 C ATOM 870 OG SER A 60 8.819 16.184 4.401 1.00 0.00 O ATOM 0 H SER A 60 10.062 12.634 5.503 1.00 0.00 H new ATOM 0 HA SER A 60 11.246 15.057 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.995 14.265 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.422 14.388 5.327 1.00 0.00 H new ATOM 0 HG SER A 60 9.370 16.734 4.996 1.00 0.00 H new ATOM 876 N ALA A 61 10.975 14.642 7.508 1.00 0.00 N ATOM 877 CA ALA A 61 11.162 15.244 8.825 1.00 0.00 C ATOM 878 C ALA A 61 12.355 14.630 9.563 1.00 0.00 C ATOM 879 O ALA A 61 12.225 14.204 10.709 1.00 0.00 O ATOM 880 CB ALA A 61 9.894 15.091 9.652 1.00 0.00 C ATOM 0 H ALA A 61 11.049 13.625 7.493 1.00 0.00 H new ATOM 0 HA ALA A 61 11.373 16.304 8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.043 15.543 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.067 15.588 9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.663 14.032 9.771 1.00 0.00 H new ATOM 946 N GLN A 66 10.496 11.319 11.745 1.00 0.00 N ATOM 947 CA GLN A 66 11.021 10.114 11.113 1.00 0.00 C ATOM 948 C GLN A 66 10.799 8.907 12.015 1.00 0.00 C ATOM 949 O GLN A 66 10.264 7.884 11.585 1.00 0.00 O ATOM 950 CB GLN A 66 12.513 10.276 10.813 1.00 0.00 C ATOM 951 CG GLN A 66 12.955 9.575 9.538 1.00 0.00 C ATOM 952 CD GLN A 66 13.684 8.273 9.807 1.00 0.00 C ATOM 953 OE1 GLN A 66 13.689 7.769 10.931 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.308 7.720 8.773 1.00 0.00 N ATOM 0 HA GLN A 66 10.490 9.956 10.174 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.746 11.338 10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.089 9.885 11.652 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.082 9.376 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.606 10.240 8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.278 8.171 7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.817 6.844 8.893 1.00 0.00 H new ATOM 963 N LYS A 67 11.186 9.049 13.277 1.00 0.00 N ATOM 964 CA LYS A 67 11.006 7.990 14.259 1.00 0.00 C ATOM 965 C LYS A 67 9.859 8.328 15.205 1.00 0.00 C ATOM 966 O LYS A 67 9.905 8.013 16.395 1.00 0.00 O ATOM 967 CB LYS A 67 12.298 7.776 15.049 1.00 0.00 C ATOM 968 CG LYS A 67 12.969 9.069 15.486 1.00 0.00 C ATOM 969 CD LYS A 67 12.581 9.447 16.906 1.00 0.00 C ATOM 970 CE LYS A 67 13.716 10.161 17.623 1.00 0.00 C ATOM 971 NZ LYS A 67 13.760 9.820 19.071 1.00 0.00 N ATOM 0 H LYS A 67 11.628 9.892 13.644 1.00 0.00 H new ATOM 0 HA LYS A 67 10.760 7.068 13.732 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.079 7.175 15.931 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.996 7.203 14.439 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.051 8.958 15.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.689 9.873 14.805 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.701 10.090 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.307 8.550 17.460 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.665 9.893 17.158 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.598 11.238 17.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.547 10.327 19.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.865 10.099 19.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.899 8.795 19.182 1.00 0.00 H new ATOM 985 N GLN A 68 8.820 8.957 14.659 1.00 0.00 N ATOM 986 CA GLN A 68 7.648 9.323 15.443 1.00 0.00 C ATOM 987 C GLN A 68 6.359 8.999 14.687 1.00 0.00 C ATOM 988 O GLN A 68 5.555 8.182 15.134 1.00 0.00 O ATOM 989 CB GLN A 68 7.689 10.814 15.788 1.00 0.00 C ATOM 990 CG GLN A 68 6.441 11.311 16.502 1.00 0.00 C ATOM 991 CD GLN A 68 6.494 11.080 17.999 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.952 10.036 18.463 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.023 12.057 18.765 1.00 0.00 N ATOM 0 H GLN A 68 8.768 9.223 13.676 1.00 0.00 H new ATOM 0 HA GLN A 68 7.661 8.740 16.364 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.558 11.009 16.416 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.824 11.387 14.870 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.315 12.376 16.307 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.567 10.806 16.091 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.652 12.906 18.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.032 11.958 19.780 1.00 0.00 H new ATOM 1002 N MET A 69 6.162 9.664 13.551 1.00 0.00 N ATOM 1003 CA MET A 69 4.956 9.480 12.747 1.00 0.00 C ATOM 1004 C MET A 69 5.033 8.239 11.855 1.00 0.00 C ATOM 1005 O MET A 69 4.327 8.152 10.851 1.00 0.00 O ATOM 1006 CB MET A 69 4.715 10.719 11.882 1.00 0.00 C ATOM 1007 CG MET A 69 5.739 10.897 10.770 1.00 0.00 C ATOM 1008 SD MET A 69 5.115 11.900 9.408 1.00 0.00 S ATOM 1009 CE MET A 69 6.636 12.621 8.795 1.00 0.00 C ATOM 0 H MET A 69 6.824 10.337 13.165 1.00 0.00 H new ATOM 0 HA MET A 69 4.126 9.336 13.438 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.720 10.656 11.441 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.726 11.604 12.519 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.636 11.363 11.178 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.032 9.918 10.391 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.437 13.155 7.866 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.033 13.316 9.535 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.365 11.831 8.611 1.00 0.00 H new ATOM 1019 N LEU A 70 5.879 7.279 12.219 1.00 0.00 N ATOM 1020 CA LEU A 70 6.017 6.058 11.424 1.00 0.00 C ATOM 1021 C LEU A 70 4.887 5.080 11.717 1.00 0.00 C ATOM 1022 O LEU A 70 4.317 4.486 10.802 1.00 0.00 O ATOM 1023 CB LEU A 70 7.379 5.376 11.643 1.00 0.00 C ATOM 1024 CG LEU A 70 7.754 5.010 13.082 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.998 4.134 13.082 1.00 0.00 C ATOM 1026 CD2 LEU A 70 7.986 6.244 13.927 1.00 0.00 C ATOM 0 H LEU A 70 6.473 7.319 13.047 1.00 0.00 H new ATOM 0 HA LEU A 70 5.959 6.357 10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.400 4.464 11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.154 6.034 11.249 1.00 0.00 H new ATOM 0 HG LEU A 70 6.921 4.461 13.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.261 3.876 14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.801 3.222 12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.824 4.675 12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.250 5.946 14.942 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.798 6.831 13.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.077 6.845 13.950 1.00 0.00 H new ATOM 1038 N GLY A 71 4.560 4.920 12.992 1.00 0.00 N ATOM 1039 CA GLY A 71 3.480 4.023 13.368 1.00 0.00 C ATOM 1040 C GLY A 71 2.634 4.581 14.493 1.00 0.00 C ATOM 1041 O GLY A 71 2.094 3.830 15.305 1.00 0.00 O ATOM 0 H GLY A 71 5.019 5.392 13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.848 3.835 12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.897 3.063 13.672 1.00 0.00 H new ATOM 1045 N GLU A 72 2.510 5.905 14.535 1.00 0.00 N ATOM 1046 CA GLU A 72 1.722 6.569 15.566 1.00 0.00 C ATOM 1047 C GLU A 72 0.939 7.747 14.991 1.00 0.00 C ATOM 1048 O GLU A 72 0.103 8.338 15.674 1.00 0.00 O ATOM 1049 CB GLU A 72 2.632 7.055 16.698 1.00 0.00 C ATOM 1050 CG GLU A 72 3.370 5.934 17.412 1.00 0.00 C ATOM 1051 CD GLU A 72 3.320 6.073 18.921 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.206 6.200 19.470 1.00 0.00 O ATOM 1053 OE2 GLU A 72 4.396 6.055 19.554 1.00 0.00 O ATOM 0 H GLU A 72 2.946 6.539 13.865 1.00 0.00 H new ATOM 0 HA GLU A 72 1.010 5.844 15.961 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.360 7.756 16.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.032 7.604 17.424 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.936 4.977 17.124 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.410 5.923 17.086 1.00 0.00 H new ATOM 1060 N ARG A 73 1.209 8.080 13.732 1.00 0.00 N ATOM 1061 CA ARG A 73 0.527 9.189 13.074 1.00 0.00 C ATOM 1062 C ARG A 73 -0.083 8.748 11.748 1.00 0.00 C ATOM 1063 O ARG A 73 -0.917 9.449 11.177 1.00 0.00 O ATOM 1064 CB ARG A 73 1.497 10.348 12.842 1.00 0.00 C ATOM 1065 CG ARG A 73 0.829 11.713 12.859 1.00 0.00 C ATOM 1066 CD ARG A 73 0.524 12.203 11.452 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.340 13.379 11.457 1.00 0.00 N ATOM 1068 CZ ARG A 73 0.069 14.599 11.119 1.00 0.00 C ATOM 1069 NH1 ARG A 73 1.328 14.802 10.752 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.779 15.617 11.150 1.00 0.00 N ATOM 0 H ARG A 73 1.894 7.599 13.149 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.278 9.523 13.728 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.271 10.322 13.609 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.994 10.208 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.095 11.660 13.435 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.477 12.430 13.362 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.457 12.441 10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.045 11.404 10.886 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.314 13.259 11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.985 14.022 10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.639 15.738 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.747 15.466 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.464 16.552 10.891 1.00 0.00 H new ATOM 1084 N LEU A 74 0.332 7.580 11.267 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.183 7.049 10.014 1.00 0.00 C ATOM 1086 C LEU A 74 -1.588 6.497 10.187 1.00 0.00 C ATOM 1087 O LEU A 74 -2.283 6.235 9.207 1.00 0.00 O ATOM 1088 CB LEU A 74 0.723 5.937 9.501 1.00 0.00 C ATOM 1089 CG LEU A 74 1.546 6.293 8.276 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.927 5.677 8.386 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.839 5.834 7.011 1.00 0.00 C ATOM 0 H LEU A 74 1.022 6.986 11.726 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.210 7.869 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.401 5.642 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.109 5.067 9.267 1.00 0.00 H new ATOM 0 HG LEU A 74 1.657 7.376 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.512 5.936 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.426 6.058 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.837 4.593 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.442 6.097 6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.700 4.753 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.133 6.323 6.940 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.981 6.285 11.437 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.290 5.716 11.744 1.00 0.00 C ATOM 1105 C PHE A 75 -4.411 6.406 10.953 1.00 0.00 C ATOM 1106 O PHE A 75 -5.157 5.740 10.235 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.568 5.786 13.252 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.008 5.552 13.617 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.713 4.490 13.071 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.653 6.395 14.508 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -7.040 4.283 13.399 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.977 6.187 14.845 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.671 5.128 14.291 1.00 0.00 C ATOM 0 H PHE A 75 -1.412 6.498 12.256 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.273 4.669 11.440 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.950 5.046 13.760 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.264 6.765 13.623 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.221 3.818 12.383 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.115 7.224 14.944 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.583 3.461 12.958 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.469 6.851 15.540 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.705 4.961 14.555 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.555 7.744 11.063 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.605 8.477 10.342 1.00 0.00 C ATOM 1125 C PRO A 76 -5.480 8.327 8.829 1.00 0.00 C ATOM 1126 O PRO A 76 -6.392 8.686 8.083 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.383 9.937 10.753 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.590 9.870 12.012 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.731 8.645 11.889 1.00 0.00 C ATOM 0 HA PRO A 76 -6.598 8.102 10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.848 10.487 9.979 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.331 10.450 10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.980 10.764 12.138 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.243 9.804 12.882 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.776 8.868 11.413 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.508 8.209 12.863 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.347 7.793 8.382 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.095 7.611 6.957 1.00 0.00 C ATOM 1139 C LEU A 77 -4.389 6.180 6.511 1.00 0.00 C ATOM 1140 O LEU A 77 -4.738 5.947 5.354 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.642 7.967 6.624 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.274 9.450 6.753 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.432 10.347 6.333 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.845 9.758 8.174 1.00 0.00 C ATOM 0 H LEU A 77 -3.588 7.479 8.987 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.767 8.279 6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.987 7.391 7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.434 7.648 5.603 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.440 9.654 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.139 11.392 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.691 10.144 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.295 10.148 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.586 10.814 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.663 9.532 8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.978 9.151 8.432 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.232 5.219 7.422 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.474 3.818 7.087 1.00 0.00 C ATOM 1158 C ILE A 78 -5.941 3.576 6.760 1.00 0.00 C ATOM 1159 O ILE A 78 -6.266 2.802 5.861 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.058 2.861 8.214 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.744 3.314 8.856 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.934 1.446 7.674 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.553 3.236 7.926 1.00 0.00 C ATOM 0 H ILE A 78 -3.942 5.383 8.386 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.858 3.611 6.212 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.828 2.875 8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.855 4.341 9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.548 2.699 9.735 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.639 0.774 8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.894 1.126 7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.181 1.422 6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.659 3.573 8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.415 2.206 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.726 3.873 7.059 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.821 4.246 7.498 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.259 4.133 7.277 1.00 0.00 C ATOM 1177 C GLN A 79 -8.598 4.386 5.810 1.00 0.00 C ATOM 1178 O GLN A 79 -9.682 4.045 5.338 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.999 5.143 8.153 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.494 4.567 9.469 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.257 5.581 10.298 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.265 6.130 9.854 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.779 5.833 11.510 1.00 0.00 N ATOM 0 H GLN A 79 -6.562 4.876 8.258 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.571 3.123 7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.337 5.983 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.849 5.538 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.137 3.710 9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.644 4.199 10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.940 5.354 11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.251 6.506 12.115 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.658 5.001 5.106 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.820 5.308 3.690 1.00 0.00 C ATOM 1194 C ALA A 80 -7.457 4.110 2.819 1.00 0.00 C ATOM 1195 O ALA A 80 -8.076 3.875 1.782 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.958 6.503 3.312 1.00 0.00 C ATOM 0 H ALA A 80 -6.765 5.300 5.497 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.869 5.549 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.087 6.724 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.258 7.369 3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.911 6.274 3.510 1.00 0.00 H new ATOM 1202 N MET A 81 -6.431 3.371 3.233 1.00 0.00 N ATOM 1203 CA MET A 81 -5.983 2.201 2.483 1.00 0.00 C ATOM 1204 C MET A 81 -6.941 1.035 2.683 1.00 0.00 C ATOM 1205 O MET A 81 -7.174 0.241 1.772 1.00 0.00 O ATOM 1206 CB MET A 81 -4.576 1.781 2.919 1.00 0.00 C ATOM 1207 CG MET A 81 -3.675 2.940 3.310 1.00 0.00 C ATOM 1208 SD MET A 81 -2.621 2.552 4.716 1.00 0.00 S ATOM 1209 CE MET A 81 -1.056 2.291 3.893 1.00 0.00 C ATOM 0 H MET A 81 -5.896 3.561 4.080 1.00 0.00 H new ATOM 0 HA MET A 81 -5.963 2.472 1.427 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.658 1.098 3.764 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.106 1.228 2.106 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.052 3.215 2.459 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.289 3.808 3.549 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.334 1.887 4.603 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.190 1.587 3.072 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.688 3.239 3.502 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.479 0.935 3.891 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.397 -0.137 4.238 1.00 0.00 C ATOM 1221 C HIS A 82 -9.695 0.427 4.801 1.00 0.00 C ATOM 1222 O HIS A 82 -9.710 1.538 5.319 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.741 -1.059 5.266 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.037 -2.226 4.655 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.287 -3.510 5.067 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.106 -2.251 3.671 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.514 -4.286 4.330 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.772 -3.565 3.479 1.00 0.00 N ATOM 0 H HIS A 82 -7.293 1.589 4.651 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.631 -0.703 3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.028 -0.483 5.856 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.504 -1.424 5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.705 -1.400 3.141 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.484 -5.363 4.404 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.088 -3.926 2.814 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.804 -0.333 4.710 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.105 0.105 5.230 1.00 0.00 C ATOM 1238 C PRO A 83 -12.071 0.316 6.742 1.00 0.00 C ATOM 1239 O PRO A 83 -12.588 -0.501 7.505 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.054 -1.046 4.869 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.343 -1.826 3.815 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.879 -1.673 4.107 1.00 0.00 C ATOM 0 HA PRO A 83 -12.410 1.063 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.269 -1.666 5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.009 -0.669 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.639 -2.875 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.584 -1.450 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.520 -2.444 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.277 -1.743 3.201 1.00 0.00 H new ATOM 1250 N THR A 84 -11.440 1.410 7.164 1.00 0.00 N ATOM 1251 CA THR A 84 -11.305 1.734 8.580 1.00 0.00 C ATOM 1252 C THR A 84 -10.813 0.524 9.374 1.00 0.00 C ATOM 1253 O THR A 84 -11.152 0.358 10.546 1.00 0.00 O ATOM 1254 CB THR A 84 -12.640 2.229 9.143 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.500 1.140 9.426 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.375 3.167 8.209 1.00 0.00 C ATOM 0 H THR A 84 -11.011 2.092 6.538 1.00 0.00 H new ATOM 0 HA THR A 84 -10.565 2.529 8.676 1.00 0.00 H new ATOM 0 HB THR A 84 -12.385 2.776 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.371 0.438 8.754 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.312 3.479 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.757 4.043 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.586 2.655 7.270 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.010 -0.316 8.724 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.476 -1.516 9.361 1.00 0.00 C ATOM 1266 C LEU A 85 -8.226 -1.198 10.174 1.00 0.00 C ATOM 1267 O LEU A 85 -7.579 -2.097 10.711 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.154 -2.573 8.305 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.143 -3.740 8.235 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.124 -4.375 6.853 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.824 -4.774 9.304 1.00 0.00 C ATOM 0 H LEU A 85 -9.715 -0.187 7.756 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.236 -1.903 10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.116 -2.090 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.159 -2.971 8.503 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.145 -3.353 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.833 -5.202 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.403 -3.631 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.123 -4.748 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.537 -5.596 9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.815 -5.156 9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.891 -4.312 10.289 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.893 0.085 10.259 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.726 0.529 11.016 1.00 0.00 C ATOM 1285 C ALA A 86 -6.932 0.308 12.513 1.00 0.00 C ATOM 1286 O ALA A 86 -7.447 -0.731 12.930 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.438 1.992 10.717 1.00 0.00 C ATOM 0 H ALA A 86 -8.416 0.838 9.812 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.865 -0.065 10.709 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.566 2.315 11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.242 2.114 9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.299 2.597 10.999 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.525 1.281 13.322 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.657 1.151 14.759 1.00 0.00 C ATOM 1295 C GLY A 87 -5.522 0.348 15.354 1.00 0.00 C ATOM 1296 O GLY A 87 -5.274 0.404 16.559 1.00 0.00 O ATOM 0 H GLY A 87 -6.107 2.156 13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.680 2.141 15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.606 0.670 14.995 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.810 -0.375 14.496 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.692 -1.194 14.936 1.00 0.00 C ATOM 1302 C LYS A 88 -2.692 -1.451 13.811 1.00 0.00 C ATOM 1303 O LYS A 88 -1.550 -1.797 14.081 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.195 -2.533 15.478 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.084 -3.434 15.990 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.409 -4.900 15.772 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.375 -5.569 14.883 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.383 -7.050 15.035 1.00 0.00 N ATOM 0 H LYS A 88 -4.989 -0.409 13.492 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.182 -0.641 15.725 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.902 -2.346 16.286 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.740 -3.053 14.691 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.152 -3.188 15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.926 -3.250 17.053 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.451 -5.412 16.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.396 -4.992 15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.570 -5.310 13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.384 -5.185 15.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.933 -7.487 14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.857 -7.314 15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.364 -7.386 15.114 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.119 -1.305 12.556 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.246 -1.578 11.424 1.00 0.00 C ATOM 1324 C ILE A 89 -0.901 -0.865 11.556 1.00 0.00 C ATOM 1325 O ILE A 89 0.084 -1.476 11.952 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.912 -1.187 10.090 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.229 -1.950 9.914 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.971 -1.466 8.928 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.146 -1.358 8.865 1.00 0.00 C ATOM 0 H ILE A 89 -4.059 -1.001 12.303 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.066 -2.653 11.425 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.130 -0.119 10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.006 -2.983 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.754 -1.974 10.869 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.455 -1.185 7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.057 -0.885 9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.726 -2.528 8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.056 -1.954 8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.401 -0.335 9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.642 -1.359 7.899 1.00 0.00 H new ATOM 1341 N THR A 90 -0.854 0.416 11.205 1.00 0.00 N ATOM 1342 CA THR A 90 0.388 1.184 11.295 1.00 0.00 C ATOM 1343 C THR A 90 0.970 1.097 12.704 1.00 0.00 C ATOM 1344 O THR A 90 2.183 0.969 12.872 1.00 0.00 O ATOM 1345 CB THR A 90 0.133 2.640 10.893 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.836 2.951 9.702 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.534 3.659 11.939 1.00 0.00 C ATOM 0 H THR A 90 -1.655 0.944 10.857 1.00 0.00 H new ATOM 0 HA THR A 90 1.118 0.760 10.606 1.00 0.00 H new ATOM 0 HB THR A 90 -0.947 2.708 10.761 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.658 3.436 9.925 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.319 4.662 11.571 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.028 3.480 12.856 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.601 3.569 12.144 1.00 0.00 H new ATOM 1355 N GLY A 91 0.102 1.149 13.711 1.00 0.00 N ATOM 1356 CA GLY A 91 0.561 1.006 15.079 1.00 0.00 C ATOM 1357 C GLY A 91 1.280 -0.312 15.262 1.00 0.00 C ATOM 1358 O GLY A 91 2.186 -0.439 16.087 1.00 0.00 O ATOM 0 H GLY A 91 -0.903 1.287 13.604 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.229 1.829 15.333 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.287 1.062 15.761 1.00 0.00 H new ATOM 1362 N MET A 92 0.887 -1.284 14.448 1.00 0.00 N ATOM 1363 CA MET A 92 1.512 -2.598 14.440 1.00 0.00 C ATOM 1364 C MET A 92 2.836 -2.525 13.719 1.00 0.00 C ATOM 1365 O MET A 92 3.811 -3.160 14.107 1.00 0.00 O ATOM 1366 CB MET A 92 0.622 -3.610 13.721 1.00 0.00 C ATOM 1367 CG MET A 92 0.805 -5.024 14.219 1.00 0.00 C ATOM 1368 SD MET A 92 0.788 -6.248 12.896 1.00 0.00 S ATOM 1369 CE MET A 92 -0.631 -5.703 11.953 1.00 0.00 C ATOM 0 H MET A 92 0.127 -1.182 13.776 1.00 0.00 H new ATOM 0 HA MET A 92 1.660 -2.914 15.473 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.421 -3.320 13.846 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.836 -3.578 12.653 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.750 -5.094 14.758 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.014 -5.257 14.932 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.388 -6.487 11.950 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.044 -4.801 12.405 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.326 -5.488 10.929 1.00 0.00 H new ATOM 1379 N LEU A 93 2.846 -1.732 12.658 1.00 0.00 N ATOM 1380 CA LEU A 93 4.027 -1.547 11.832 1.00 0.00 C ATOM 1381 C LEU A 93 5.201 -1.030 12.652 1.00 0.00 C ATOM 1382 O LEU A 93 6.320 -0.911 12.154 1.00 0.00 O ATOM 1383 CB LEU A 93 3.712 -0.586 10.698 1.00 0.00 C ATOM 1384 CG LEU A 93 3.103 -1.241 9.455 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.089 -2.219 8.833 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.802 -1.946 9.807 1.00 0.00 C ATOM 0 H LEU A 93 2.034 -1.199 12.346 1.00 0.00 H new ATOM 0 HA LEU A 93 4.312 -2.515 11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.023 0.175 11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.629 -0.073 10.409 1.00 0.00 H new ATOM 0 HG LEU A 93 2.884 -0.461 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.641 -2.676 7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.996 -1.688 8.545 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.337 -2.995 9.557 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.383 -2.406 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.996 -2.716 10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.093 -1.222 10.208 1.00 0.00 H new ATOM 1398 N LEU A 94 4.935 -0.725 13.913 1.00 0.00 N ATOM 1399 CA LEU A 94 5.969 -0.292 14.828 1.00 0.00 C ATOM 1400 C LEU A 94 6.216 -1.391 15.850 1.00 0.00 C ATOM 1401 O LEU A 94 6.612 -1.133 16.987 1.00 0.00 O ATOM 1402 CB LEU A 94 5.553 1.009 15.514 1.00 0.00 C ATOM 1403 CG LEU A 94 6.175 2.282 14.929 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.568 2.495 15.502 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.216 2.214 13.401 1.00 0.00 C ATOM 0 H LEU A 94 4.003 -0.771 14.324 1.00 0.00 H new ATOM 0 HA LEU A 94 6.892 -0.101 14.281 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.468 1.097 15.463 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.818 0.946 16.569 1.00 0.00 H new ATOM 0 HG LEU A 94 5.553 3.133 15.207 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.000 3.402 15.080 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.504 2.594 16.586 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.199 1.642 15.252 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.661 3.128 13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.814 1.357 13.091 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.202 2.109 13.014 1.00 0.00 H new ATOM 1417 N GLU A 95 5.943 -2.624 15.426 1.00 0.00 N ATOM 1418 CA GLU A 95 6.096 -3.792 16.281 1.00 0.00 C ATOM 1419 C GLU A 95 5.951 -5.087 15.480 1.00 0.00 C ATOM 1420 O GLU A 95 6.054 -6.180 16.038 1.00 0.00 O ATOM 1421 CB GLU A 95 5.059 -3.760 17.410 1.00 0.00 C ATOM 1422 CG GLU A 95 3.650 -4.118 16.959 1.00 0.00 C ATOM 1423 CD GLU A 95 2.750 -4.507 18.116 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.053 -5.512 18.792 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.741 -3.806 18.345 1.00 0.00 O ATOM 0 H GLU A 95 5.612 -2.837 14.485 1.00 0.00 H new ATOM 0 HA GLU A 95 7.098 -3.765 16.709 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.367 -4.453 18.193 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.047 -2.764 17.852 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.214 -3.269 16.433 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.698 -4.942 16.248 1.00 0.00 H new ATOM 1432 N ILE A 96 5.742 -4.964 14.166 1.00 0.00 N ATOM 1433 CA ILE A 96 5.584 -6.141 13.303 1.00 0.00 C ATOM 1434 C ILE A 96 6.849 -6.996 13.279 1.00 0.00 C ATOM 1435 O ILE A 96 7.647 -6.987 14.216 1.00 0.00 O ATOM 1436 CB ILE A 96 5.256 -5.770 11.836 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.423 -5.017 11.184 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.969 -4.973 11.729 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.776 -3.712 11.849 1.00 0.00 C ATOM 0 H ILE A 96 5.678 -4.070 13.679 1.00 0.00 H new ATOM 0 HA ILE A 96 4.751 -6.695 13.735 1.00 0.00 H new ATOM 0 HB ILE A 96 5.106 -6.703 11.293 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.302 -5.662 11.188 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.175 -4.823 10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.775 -4.733 10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.142 -5.562 12.125 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.064 -4.050 12.301 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.611 -3.249 11.322 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.915 -3.045 11.821 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.059 -3.897 12.885 1.00 0.00 H new ATOM 1451 N ASP A 97 7.036 -7.703 12.166 1.00 0.00 N ATOM 1452 CA ASP A 97 8.210 -8.532 11.947 1.00 0.00 C ATOM 1453 C ASP A 97 9.489 -7.698 12.002 1.00 0.00 C ATOM 1454 O ASP A 97 10.588 -8.233 11.869 1.00 0.00 O ATOM 1455 CB ASP A 97 8.093 -9.212 10.584 1.00 0.00 C ATOM 1456 CG ASP A 97 8.804 -10.551 10.537 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.187 -11.566 10.923 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.979 -10.584 10.113 1.00 0.00 O ATOM 0 H ASP A 97 6.373 -7.714 11.391 1.00 0.00 H new ATOM 0 HA ASP A 97 8.263 -9.282 12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.040 -9.355 10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.509 -8.557 9.818 1.00 0.00 H new ATOM 1463 N ASN A 98 9.319 -6.383 12.167 1.00 0.00 N ATOM 1464 CA ASN A 98 10.431 -5.434 12.233 1.00 0.00 C ATOM 1465 C ASN A 98 10.963 -5.112 10.846 1.00 0.00 C ATOM 1466 O ASN A 98 11.388 -3.988 10.578 1.00 0.00 O ATOM 1467 CB ASN A 98 11.559 -5.952 13.135 1.00 0.00 C ATOM 1468 CG ASN A 98 12.816 -6.327 12.367 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.543 -5.459 11.883 1.00 0.00 O ATOM 1470 ND2 ASN A 98 13.093 -7.622 12.277 1.00 0.00 N ATOM 0 H ASN A 98 8.402 -5.946 12.259 1.00 0.00 H new ATOM 0 HA ASN A 98 10.045 -4.514 12.672 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.806 -5.188 13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.204 -6.823 13.686 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.936 -7.931 11.792 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.463 -8.308 12.693 1.00 0.00 H new ATOM 1477 N SER A 99 10.942 -6.105 9.974 1.00 0.00 N ATOM 1478 CA SER A 99 11.399 -5.918 8.603 1.00 0.00 C ATOM 1479 C SER A 99 10.455 -4.983 7.865 1.00 0.00 C ATOM 1480 O SER A 99 10.862 -4.256 6.960 1.00 0.00 O ATOM 1481 CB SER A 99 11.493 -7.258 7.877 1.00 0.00 C ATOM 1482 OG SER A 99 10.715 -7.257 6.692 1.00 0.00 O ATOM 0 H SER A 99 10.615 -7.047 10.187 1.00 0.00 H new ATOM 0 HA SER A 99 12.394 -5.473 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.534 -7.469 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.153 -8.056 8.537 1.00 0.00 H new ATOM 0 HG SER A 99 10.795 -8.126 6.247 1.00 0.00 H new ATOM 1488 N GLU A 100 9.195 -4.997 8.279 1.00 0.00 N ATOM 1489 CA GLU A 100 8.190 -4.116 7.705 1.00 0.00 C ATOM 1490 C GLU A 100 8.317 -2.728 8.309 1.00 0.00 C ATOM 1491 O GLU A 100 7.973 -1.734 7.677 1.00 0.00 O ATOM 1492 CB GLU A 100 6.791 -4.677 7.934 1.00 0.00 C ATOM 1493 CG GLU A 100 6.747 -6.195 7.942 1.00 0.00 C ATOM 1494 CD GLU A 100 5.554 -6.750 7.189 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.446 -6.193 7.338 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.727 -7.743 6.452 1.00 0.00 O ATOM 0 H GLU A 100 8.845 -5.612 9.013 1.00 0.00 H new ATOM 0 HA GLU A 100 8.353 -4.048 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.409 -4.304 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.126 -4.305 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.664 -6.583 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.717 -6.548 8.973 1.00 0.00 H new ATOM 1503 N LEU A 101 8.848 -2.671 9.527 1.00 0.00 N ATOM 1504 CA LEU A 101 9.091 -1.402 10.201 1.00 0.00 C ATOM 1505 C LEU A 101 10.307 -0.720 9.585 1.00 0.00 C ATOM 1506 O LEU A 101 10.431 0.503 9.608 1.00 0.00 O ATOM 1507 CB LEU A 101 9.320 -1.629 11.700 1.00 0.00 C ATOM 1508 CG LEU A 101 10.097 -0.525 12.423 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.156 0.331 13.255 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.188 -1.126 13.295 1.00 0.00 C ATOM 0 H LEU A 101 9.119 -3.492 10.068 1.00 0.00 H new ATOM 0 HA LEU A 101 8.217 -0.762 10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.350 -1.744 12.185 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.855 -2.570 11.830 1.00 0.00 H new ATOM 0 HG LEU A 101 10.568 0.113 11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.725 1.110 13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.411 0.790 12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.656 -0.293 13.996 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.730 -0.327 13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.739 -1.786 14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.878 -1.696 12.673 1.00 0.00 H new ATOM 1522 N LEU A 102 11.202 -1.536 9.037 1.00 0.00 N ATOM 1523 CA LEU A 102 12.422 -1.037 8.413 1.00 0.00 C ATOM 1524 C LEU A 102 12.184 -0.658 6.960 1.00 0.00 C ATOM 1525 O LEU A 102 12.617 0.400 6.503 1.00 0.00 O ATOM 1526 CB LEU A 102 13.520 -2.099 8.486 1.00 0.00 C ATOM 1527 CG LEU A 102 14.564 -1.888 9.588 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.904 -1.886 10.959 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.640 -2.959 9.513 1.00 0.00 C ATOM 0 H LEU A 102 11.104 -2.551 9.013 1.00 0.00 H new ATOM 0 HA LEU A 102 12.734 -0.145 8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.052 -3.072 8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.033 -2.134 7.525 1.00 0.00 H new ATOM 0 HG LEU A 102 15.034 -0.917 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.662 -1.735 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.171 -1.081 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.405 -2.841 11.124 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.373 -2.794 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.185 -3.941 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.135 -2.911 8.543 1.00 0.00 H new ATOM 1541 N HIS A 103 11.517 -1.543 6.231 1.00 0.00 N ATOM 1542 CA HIS A 103 11.247 -1.320 4.824 1.00 0.00 C ATOM 1543 C HIS A 103 10.284 -0.151 4.627 1.00 0.00 C ATOM 1544 O HIS A 103 10.456 0.656 3.713 1.00 0.00 O ATOM 1545 CB HIS A 103 10.673 -2.596 4.209 1.00 0.00 C ATOM 1546 CG HIS A 103 11.341 -3.000 2.933 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.757 -2.066 2.013 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.642 -4.240 2.471 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.296 -2.749 1.021 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.249 -4.069 1.255 1.00 0.00 N ATOM 0 H HIS A 103 11.154 -2.424 6.596 1.00 0.00 H new ATOM 0 HA HIS A 103 12.181 -1.066 4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.763 -3.409 4.930 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.609 -2.452 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.442 -5.179 2.966 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.721 -2.302 0.134 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.599 -4.806 0.643 1.00 0.00 H new ATOM 1558 N MET A 104 9.278 -0.062 5.494 1.00 0.00 N ATOM 1559 CA MET A 104 8.283 1.006 5.416 1.00 0.00 C ATOM 1560 C MET A 104 8.935 2.382 5.466 1.00 0.00 C ATOM 1561 O MET A 104 8.438 3.331 4.863 1.00 0.00 O ATOM 1562 CB MET A 104 7.286 0.877 6.566 1.00 0.00 C ATOM 1563 CG MET A 104 7.903 1.142 7.923 1.00 0.00 C ATOM 1564 SD MET A 104 6.857 2.165 8.973 1.00 0.00 S ATOM 1565 CE MET A 104 5.257 1.437 8.642 1.00 0.00 C ATOM 0 H MET A 104 9.130 -0.718 6.261 1.00 0.00 H new ATOM 0 HA MET A 104 7.765 0.906 4.462 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.464 1.574 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.859 -0.126 6.558 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.094 0.192 8.422 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.867 1.632 7.790 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.540 1.780 9.388 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.920 1.736 7.650 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.335 0.351 8.687 1.00 0.00 H new ATOM 1575 N LEU A 105 10.023 2.494 6.220 1.00 0.00 N ATOM 1576 CA LEU A 105 10.730 3.760 6.353 1.00 0.00 C ATOM 1577 C LEU A 105 11.725 3.935 5.220 1.00 0.00 C ATOM 1578 O LEU A 105 12.254 5.026 5.007 1.00 0.00 O ATOM 1579 CB LEU A 105 11.468 3.824 7.693 1.00 0.00 C ATOM 1580 CG LEU A 105 10.639 3.422 8.912 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.523 3.326 10.147 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.512 4.414 9.136 1.00 0.00 C ATOM 0 H LEU A 105 10.433 1.723 6.748 1.00 0.00 H new ATOM 0 HA LEU A 105 9.995 4.563 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.343 3.176 7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.833 4.841 7.841 1.00 0.00 H new ATOM 0 HG LEU A 105 10.201 2.441 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.917 3.039 11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.298 2.577 9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.988 4.293 10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.931 4.114 10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.929 5.407 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.866 4.435 8.259 1.00 0.00 H new ATOM 1594 N GLU A 106 11.976 2.853 4.497 1.00 0.00 N ATOM 1595 CA GLU A 106 12.952 2.877 3.422 1.00 0.00 C ATOM 1596 C GLU A 106 12.297 2.826 2.039 1.00 0.00 C ATOM 1597 O GLU A 106 12.990 2.889 1.022 1.00 0.00 O ATOM 1598 CB GLU A 106 13.936 1.710 3.594 1.00 0.00 C ATOM 1599 CG GLU A 106 13.566 0.462 2.804 1.00 0.00 C ATOM 1600 CD GLU A 106 14.486 0.228 1.621 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.719 0.287 1.807 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.973 -0.014 0.508 1.00 0.00 O ATOM 0 H GLU A 106 11.518 1.952 4.636 1.00 0.00 H new ATOM 0 HA GLU A 106 13.489 3.824 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.929 2.039 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.996 1.453 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.601 -0.405 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.539 0.552 2.449 1.00 0.00 H new ATOM 1609 N SER A 107 10.969 2.726 1.993 1.00 0.00 N ATOM 1610 CA SER A 107 10.268 2.656 0.713 1.00 0.00 C ATOM 1611 C SER A 107 8.865 3.262 0.793 1.00 0.00 C ATOM 1612 O SER A 107 8.093 2.942 1.697 1.00 0.00 O ATOM 1613 CB SER A 107 10.173 1.204 0.251 1.00 0.00 C ATOM 1614 OG SER A 107 10.195 1.112 -1.163 1.00 0.00 O ATOM 0 H SER A 107 10.365 2.692 2.814 1.00 0.00 H new ATOM 0 HA SER A 107 10.842 3.239 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.002 0.632 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.255 0.758 0.633 1.00 0.00 H new ATOM 0 HG SER A 107 10.135 0.171 -1.431 1.00 0.00 H new ATOM 1620 N PRO A 108 8.504 4.124 -0.182 1.00 0.00 N ATOM 1621 CA PRO A 108 7.183 4.766 -0.232 1.00 0.00 C ATOM 1622 C PRO A 108 6.069 3.767 -0.533 1.00 0.00 C ATOM 1623 O PRO A 108 4.893 4.129 -0.595 1.00 0.00 O ATOM 1624 CB PRO A 108 7.307 5.784 -1.375 1.00 0.00 C ATOM 1625 CG PRO A 108 8.769 5.887 -1.663 1.00 0.00 C ATOM 1626 CD PRO A 108 9.356 4.556 -1.299 1.00 0.00 C ATOM 0 HA PRO A 108 6.920 5.218 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.756 5.454 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.895 6.751 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.945 6.117 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.226 6.687 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.318 3.855 -2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.401 4.642 -1.002 1.00 0.00 H new ATOM 1634 N GLU A 109 6.453 2.514 -0.733 1.00 0.00 N ATOM 1635 CA GLU A 109 5.500 1.444 -1.007 1.00 0.00 C ATOM 1636 C GLU A 109 5.546 0.414 0.097 1.00 0.00 C ATOM 1637 O GLU A 109 4.549 -0.225 0.401 1.00 0.00 O ATOM 1638 CB GLU A 109 5.812 0.783 -2.347 1.00 0.00 C ATOM 1639 CG GLU A 109 6.159 -0.687 -2.239 1.00 0.00 C ATOM 1640 CD GLU A 109 5.972 -1.434 -3.546 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.240 -0.841 -4.612 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.556 -2.611 -3.503 1.00 0.00 O ATOM 0 H GLU A 109 7.426 2.210 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 109 4.499 1.874 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.951 0.896 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.643 1.309 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.194 -0.788 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.537 -1.147 -1.471 1.00 0.00 H new ATOM 1649 N SER A 110 6.704 0.275 0.714 1.00 0.00 N ATOM 1650 CA SER A 110 6.861 -0.700 1.772 1.00 0.00 C ATOM 1651 C SER A 110 5.937 -0.374 2.924 1.00 0.00 C ATOM 1652 O SER A 110 5.270 -1.248 3.456 1.00 0.00 O ATOM 1653 CB SER A 110 8.303 -0.745 2.256 1.00 0.00 C ATOM 1654 OG SER A 110 8.977 -1.871 1.725 1.00 0.00 O ATOM 0 H SER A 110 7.541 0.819 0.503 1.00 0.00 H new ATOM 0 HA SER A 110 6.601 -1.681 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.820 0.167 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.325 -0.783 3.345 1.00 0.00 H new ATOM 0 HG SER A 110 9.916 -1.643 1.562 1.00 0.00 H new ATOM 1660 N LEU A 111 5.846 0.895 3.264 1.00 0.00 N ATOM 1661 CA LEU A 111 4.975 1.310 4.346 1.00 0.00 C ATOM 1662 C LEU A 111 3.528 0.936 4.061 1.00 0.00 C ATOM 1663 O LEU A 111 2.730 0.766 4.980 1.00 0.00 O ATOM 1664 CB LEU A 111 5.084 2.806 4.576 1.00 0.00 C ATOM 1665 CG LEU A 111 4.363 3.294 5.823 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.233 4.277 6.574 1.00 0.00 C ATOM 1667 CD2 LEU A 111 3.022 3.909 5.456 1.00 0.00 C ATOM 0 H LEU A 111 6.359 1.652 2.812 1.00 0.00 H new ATOM 0 HA LEU A 111 5.296 0.787 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.137 3.076 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.680 3.327 3.708 1.00 0.00 H new ATOM 0 HG LEU A 111 4.169 2.444 6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.708 4.621 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.163 3.790 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.456 5.130 5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.520 4.253 6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.180 4.754 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.403 3.162 4.959 1.00 0.00 H new ATOM 1679 N ARG A 112 3.198 0.810 2.785 1.00 0.00 N ATOM 1680 CA ARG A 112 1.845 0.458 2.373 1.00 0.00 C ATOM 1681 C ARG A 112 1.725 -1.030 2.127 1.00 0.00 C ATOM 1682 O ARG A 112 1.023 -1.732 2.846 1.00 0.00 O ATOM 1683 CB ARG A 112 1.479 1.226 1.114 1.00 0.00 C ATOM 1684 CG ARG A 112 1.350 2.701 1.383 1.00 0.00 C ATOM 1685 CD ARG A 112 1.430 3.521 0.106 1.00 0.00 C ATOM 1686 NE ARG A 112 0.267 3.312 -0.754 1.00 0.00 N ATOM 1687 CZ ARG A 112 0.349 2.947 -2.030 1.00 0.00 C ATOM 1688 NH1 ARG A 112 1.533 2.750 -2.594 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -0.756 2.779 -2.744 1.00 0.00 N ATOM 0 H ARG A 112 3.850 0.947 2.013 1.00 0.00 H new ATOM 0 HA ARG A 112 1.157 0.726 3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.240 1.060 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.539 0.845 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.400 2.897 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.139 3.015 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.508 4.578 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.336 3.256 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.660 3.454 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.385 2.878 -2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.591 2.470 -3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.669 2.930 -2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.693 2.499 -3.723 1.00 0.00 H new ATOM 1703 N SER A 113 2.424 -1.499 1.107 1.00 0.00 N ATOM 1704 CA SER A 113 2.453 -2.909 0.781 1.00 0.00 C ATOM 1705 C SER A 113 2.593 -3.737 2.058 1.00 0.00 C ATOM 1706 O SER A 113 2.054 -4.840 2.155 1.00 0.00 O ATOM 1707 CB SER A 113 3.610 -3.180 -0.183 1.00 0.00 C ATOM 1708 OG SER A 113 3.752 -2.123 -1.114 1.00 0.00 O ATOM 0 H SER A 113 2.984 -0.914 0.486 1.00 0.00 H new ATOM 0 HA SER A 113 1.520 -3.197 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.536 -3.301 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.435 -4.116 -0.714 1.00 0.00 H new ATOM 0 HG SER A 113 4.134 -1.340 -0.665 1.00 0.00 H new ATOM 1714 N LYS A 114 3.326 -3.196 3.035 1.00 0.00 N ATOM 1715 CA LYS A 114 3.474 -3.857 4.332 1.00 0.00 C ATOM 1716 C LYS A 114 2.274 -3.578 5.232 1.00 0.00 C ATOM 1717 O LYS A 114 1.802 -4.476 5.922 1.00 0.00 O ATOM 1718 CB LYS A 114 4.765 -3.440 5.037 1.00 0.00 C ATOM 1719 CG LYS A 114 6.022 -3.828 4.279 1.00 0.00 C ATOM 1720 CD LYS A 114 6.160 -5.336 4.147 1.00 0.00 C ATOM 1721 CE LYS A 114 7.007 -5.716 2.943 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.756 -7.118 2.507 1.00 0.00 N ATOM 0 H LYS A 114 3.822 -2.309 2.953 1.00 0.00 H new ATOM 0 HA LYS A 114 3.525 -4.928 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.757 -2.360 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.792 -3.895 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.002 -3.377 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.895 -3.427 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.611 -5.742 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.172 -5.786 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.792 -5.036 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.062 -5.596 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.353 -7.338 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.985 -7.770 3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.755 -7.227 2.248 1.00 0.00 H new ATOM 1736 N VAL A 115 1.808 -2.323 5.263 1.00 0.00 N ATOM 1737 CA VAL A 115 0.653 -1.971 6.096 1.00 0.00 C ATOM 1738 C VAL A 115 -0.567 -2.783 5.665 1.00 0.00 C ATOM 1739 O VAL A 115 -1.116 -3.551 6.454 1.00 0.00 O ATOM 1740 CB VAL A 115 0.334 -0.451 6.063 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.167 -0.191 6.016 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.941 0.243 7.271 1.00 0.00 C ATOM 0 H VAL A 115 2.205 -1.548 4.731 1.00 0.00 H new ATOM 0 HA VAL A 115 0.909 -2.216 7.127 1.00 0.00 H new ATOM 0 HB VAL A 115 0.774 -0.044 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.350 0.883 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.588 -0.649 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.639 -0.621 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.709 1.307 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.528 -0.187 8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.022 0.107 7.263 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.951 -2.648 4.397 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.078 -3.394 3.846 1.00 0.00 C ATOM 1754 C ASP A 116 -1.954 -4.884 4.149 1.00 0.00 C ATOM 1755 O ASP A 116 -2.938 -5.543 4.493 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.149 -3.176 2.335 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.407 -2.450 1.905 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.577 -1.277 2.296 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -4.216 -3.051 1.168 1.00 0.00 O ATOM 0 H ASP A 116 -0.495 -2.025 3.730 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.992 -3.028 4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.278 -2.605 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.102 -4.141 1.831 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.741 -5.413 4.017 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.490 -6.823 4.297 1.00 0.00 C ATOM 1766 C GLU A 117 -0.523 -7.071 5.797 1.00 0.00 C ATOM 1767 O GLU A 117 -0.903 -8.151 6.251 1.00 0.00 O ATOM 1768 CB GLU A 117 0.863 -7.250 3.726 1.00 0.00 C ATOM 1769 CG GLU A 117 0.791 -7.751 2.293 1.00 0.00 C ATOM 1770 CD GLU A 117 1.423 -9.119 2.118 1.00 0.00 C ATOM 1771 OE1 GLU A 117 1.968 -9.654 3.107 1.00 0.00 O ATOM 1772 OE2 GLU A 117 1.375 -9.655 0.990 1.00 0.00 O ATOM 0 H GLU A 117 0.081 -4.888 3.719 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.271 -7.415 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.550 -6.405 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.281 -8.035 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.252 -7.795 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.291 -7.038 1.638 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.126 -6.060 6.561 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.149 -6.154 8.010 1.00 0.00 C ATOM 1781 C ALA A 118 -1.583 -6.201 8.494 1.00 0.00 C ATOM 1782 O ALA A 118 -1.879 -6.785 9.531 1.00 0.00 O ATOM 1783 CB ALA A 118 0.597 -4.995 8.649 1.00 0.00 C ATOM 0 H ALA A 118 0.214 -5.169 6.199 1.00 0.00 H new ATOM 0 HA ALA A 118 0.358 -7.072 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.562 -5.094 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.635 -5.003 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.130 -4.055 8.355 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.477 -5.603 7.714 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.890 -5.640 8.029 1.00 0.00 C ATOM 1791 C VAL A 119 -4.360 -7.071 8.078 1.00 0.00 C ATOM 1792 O VAL A 119 -4.932 -7.514 9.066 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.729 -4.892 6.999 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.160 -4.785 7.498 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.130 -3.530 6.721 1.00 0.00 C ATOM 0 H VAL A 119 -2.244 -5.090 6.864 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.018 -5.153 8.996 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.734 -5.442 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.762 -4.251 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.570 -5.784 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.176 -4.243 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.740 -3.008 5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.100 -2.950 7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.118 -3.650 6.335 1.00 0.00 H new ATOM 1805 N ALA A 120 -4.080 -7.792 7.003 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.421 -9.197 6.918 1.00 0.00 C ATOM 1807 C ALA A 120 -3.842 -9.948 8.109 1.00 0.00 C ATOM 1808 O ALA A 120 -4.341 -11.002 8.505 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.895 -9.768 5.618 1.00 0.00 C ATOM 0 H ALA A 120 -3.615 -7.421 6.175 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.505 -9.309 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.152 -10.825 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.342 -9.235 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.811 -9.655 5.583 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.793 -9.372 8.686 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.132 -9.942 9.845 1.00 0.00 C ATOM 1817 C VAL A 121 -2.814 -9.484 11.134 1.00 0.00 C ATOM 1818 O VAL A 121 -2.849 -10.215 12.126 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.645 -9.534 9.859 1.00 0.00 C ATOM 1820 CG1 VAL A 121 -0.039 -9.698 11.242 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.127 -10.337 8.826 1.00 0.00 C ATOM 0 H VAL A 121 -2.380 -8.498 8.361 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.203 -11.028 9.784 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.578 -8.478 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.010 -9.402 11.217 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.577 -9.069 11.952 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.114 -10.741 11.551 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.176 -10.041 8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.046 -11.399 9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.286 -10.148 7.835 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.370 -8.277 11.101 1.00 0.00 N ATOM 1832 CA LEU A 122 -4.072 -7.719 12.250 1.00 0.00 C ATOM 1833 C LEU A 122 -5.432 -8.391 12.414 1.00 0.00 C ATOM 1834 O LEU A 122 -5.858 -8.692 13.527 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.233 -6.201 12.083 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.675 -5.688 12.021 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.049 -4.996 13.322 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.856 -4.745 10.845 1.00 0.00 C ATOM 0 H LEU A 122 -3.347 -7.664 10.286 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.486 -7.907 13.149 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.727 -5.707 12.912 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.720 -5.898 11.170 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.338 -6.542 11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.077 -4.638 13.261 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.959 -5.701 14.148 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.380 -4.152 13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.887 -4.391 10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.183 -3.894 10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.628 -5.271 9.918 1.00 0.00 H new ATOM 1850 N GLN A 123 -6.109 -8.614 11.294 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.412 -9.264 11.299 1.00 0.00 C ATOM 1852 C GLN A 123 -7.261 -10.734 11.661 1.00 0.00 C ATOM 1853 O GLN A 123 -8.154 -11.345 12.248 1.00 0.00 O ATOM 1854 CB GLN A 123 -8.072 -9.124 9.925 1.00 0.00 C ATOM 1855 CG GLN A 123 -7.126 -9.346 8.761 1.00 0.00 C ATOM 1856 CD GLN A 123 -7.559 -10.487 7.861 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -7.459 -11.657 8.231 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -8.043 -10.151 6.672 1.00 0.00 N ATOM 0 H GLN A 123 -5.774 -8.352 10.367 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.045 -8.782 12.044 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -8.893 -9.837 9.853 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.507 -8.128 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.060 -8.431 8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -6.127 -9.551 9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.108 -9.168 6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -8.350 -10.876 6.023 1.00 0.00 H new ATOM 1867 N ALA A 124 -6.101 -11.278 11.324 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.787 -12.675 11.597 1.00 0.00 C ATOM 1869 C ALA A 124 -5.434 -12.896 13.064 1.00 0.00 C ATOM 1870 O ALA A 124 -5.716 -13.955 13.622 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.634 -13.123 10.715 1.00 0.00 C ATOM 0 H ALA A 124 -5.353 -10.767 10.855 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.674 -13.268 11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.402 -14.168 10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.914 -13.014 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.758 -12.509 10.922 1.00 0.00 H new