USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= -2.5 K(o=-3.4,f=-7.3!) USER MOD Set 1.2: A 110 SER OG : rot 132:sc= -0.928 USER MOD Set 2.1: A 54 THR OG1 : rot -66:sc= -0.524! USER MOD Set 2.2: A 57 MET CE :methyl -172:sc= -3.98! (180deg=-3.9!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 60 SER OG : rot -35:sc= 0.31 USER MOD Single : A 66 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -126:sc= -1.34 (180deg=-3.17!) USER MOD Single : A 79 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.088) USER MOD Single : A 81 MET CE :methyl 159:sc= -1.6 (180deg=-1.96) USER MOD Single : A 82 HIS : no HD1:sc= -4.99! C(o=-5!,f=-9.3!) USER MOD Single : A 84 THR OG1 : rot 19:sc= 0.63 USER MOD Single : A 88 LYS NZ :NH3+ -116:sc= 0.0836 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -90:sc= -2.56! USER MOD Single : A 92 MET CE :methyl -166:sc= -1.19 (180deg=-1.78) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.0943 F(o=-1.7,f=-0.094) USER MOD Single : A 99 SER OG : rot 108:sc= 0.501 USER MOD Single : A 104 MET CE :methyl 158:sc= -7.76! (180deg=-8.82!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 1.061 9.646 3.727 1.00 0.00 N ATOM 766 CA LEU A 53 2.169 9.191 4.562 1.00 0.00 C ATOM 767 C LEU A 53 2.885 8.002 3.926 1.00 0.00 C ATOM 768 O LEU A 53 2.245 7.074 3.431 1.00 0.00 O ATOM 769 CB LEU A 53 1.648 8.785 5.942 1.00 0.00 C ATOM 770 CG LEU A 53 2.220 9.540 7.155 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.496 8.879 7.652 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.471 11.004 6.838 1.00 0.00 C ATOM 0 HA LEU A 53 2.877 10.014 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.565 8.910 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.847 7.722 6.080 1.00 0.00 H new ATOM 0 HG LEU A 53 1.472 9.494 7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.881 9.431 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.282 7.852 7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.240 8.880 6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.875 11.503 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.185 11.082 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.534 11.480 6.549 1.00 0.00 H new ATOM 784 N THR A 54 4.214 8.037 3.950 1.00 0.00 N ATOM 785 CA THR A 54 5.032 6.951 3.418 1.00 0.00 C ATOM 786 C THR A 54 6.500 7.183 3.750 1.00 0.00 C ATOM 787 O THR A 54 6.844 8.162 4.410 1.00 0.00 O ATOM 788 CB THR A 54 4.862 6.803 1.900 1.00 0.00 C ATOM 789 OG1 THR A 54 3.853 7.669 1.410 1.00 0.00 O ATOM 790 CG2 THR A 54 4.505 5.392 1.479 1.00 0.00 C ATOM 0 H THR A 54 4.752 8.813 4.336 1.00 0.00 H new ATOM 0 HA THR A 54 4.694 6.027 3.888 1.00 0.00 H new ATOM 0 HB THR A 54 5.832 7.062 1.476 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.982 7.389 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.398 5.352 0.395 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.294 4.708 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.565 5.099 1.947 1.00 0.00 H new ATOM 798 N ALA A 55 7.359 6.279 3.287 1.00 0.00 N ATOM 799 CA ALA A 55 8.790 6.374 3.550 1.00 0.00 C ATOM 800 C ALA A 55 9.333 7.761 3.216 1.00 0.00 C ATOM 801 O ALA A 55 10.195 8.285 3.921 1.00 0.00 O ATOM 802 CB ALA A 55 9.541 5.313 2.766 1.00 0.00 C ATOM 0 H ALA A 55 7.087 5.471 2.727 1.00 0.00 H new ATOM 0 HA ALA A 55 8.943 6.206 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.608 5.396 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.190 4.325 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.365 5.456 1.700 1.00 0.00 H new ATOM 808 N SER A 56 8.831 8.346 2.134 1.00 0.00 N ATOM 809 CA SER A 56 9.271 9.672 1.711 1.00 0.00 C ATOM 810 C SER A 56 8.905 10.723 2.753 1.00 0.00 C ATOM 811 O SER A 56 9.740 11.535 3.151 1.00 0.00 O ATOM 812 CB SER A 56 8.649 10.037 0.363 1.00 0.00 C ATOM 813 OG SER A 56 8.483 8.889 -0.451 1.00 0.00 O ATOM 0 H SER A 56 8.121 7.925 1.535 1.00 0.00 H new ATOM 0 HA SER A 56 10.356 9.649 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.683 10.516 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.283 10.761 -0.149 1.00 0.00 H new ATOM 0 HG SER A 56 8.082 9.150 -1.306 1.00 0.00 H new ATOM 819 N MET A 57 7.649 10.699 3.189 1.00 0.00 N ATOM 820 CA MET A 57 7.164 11.637 4.195 1.00 0.00 C ATOM 821 C MET A 57 7.988 11.521 5.467 1.00 0.00 C ATOM 822 O MET A 57 8.304 12.517 6.117 1.00 0.00 O ATOM 823 CB MET A 57 5.699 11.345 4.517 1.00 0.00 C ATOM 824 CG MET A 57 4.713 11.871 3.484 1.00 0.00 C ATOM 825 SD MET A 57 5.427 12.034 1.836 1.00 0.00 S ATOM 826 CE MET A 57 5.259 10.357 1.230 1.00 0.00 C ATOM 0 H MET A 57 6.946 10.037 2.859 1.00 0.00 H new ATOM 0 HA MET A 57 7.257 12.648 3.798 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.568 10.267 4.611 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.458 11.781 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.855 11.200 3.436 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.340 12.842 3.809 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.782 10.260 0.279 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.689 9.664 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.203 10.125 1.089 1.00 0.00 H new ATOM 836 N LEU A 58 8.314 10.287 5.816 1.00 0.00 N ATOM 837 CA LEU A 58 9.096 9.999 7.006 1.00 0.00 C ATOM 838 C LEU A 58 10.493 10.588 6.895 1.00 0.00 C ATOM 839 O LEU A 58 10.994 11.211 7.832 1.00 0.00 O ATOM 840 CB LEU A 58 9.170 8.491 7.197 1.00 0.00 C ATOM 841 CG LEU A 58 7.813 7.791 7.182 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.977 6.312 6.873 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.094 8.002 8.504 1.00 0.00 C ATOM 0 H LEU A 58 8.045 9.460 5.284 1.00 0.00 H new ATOM 0 HA LEU A 58 8.612 10.455 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.794 8.067 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.665 8.280 8.145 1.00 0.00 H new ATOM 0 HG LEU A 58 7.202 8.230 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.999 5.831 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.445 6.194 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.604 5.849 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.128 7.497 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.696 7.592 9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.941 9.069 8.669 1.00 0.00 H new ATOM 855 N ALA A 59 11.108 10.400 5.735 1.00 0.00 N ATOM 856 CA ALA A 59 12.441 10.933 5.481 1.00 0.00 C ATOM 857 C ALA A 59 12.406 12.458 5.419 1.00 0.00 C ATOM 858 O ALA A 59 13.447 13.112 5.355 1.00 0.00 O ATOM 859 CB ALA A 59 13.003 10.361 4.189 1.00 0.00 C ATOM 0 H ALA A 59 10.705 9.882 4.954 1.00 0.00 H new ATOM 0 HA ALA A 59 13.093 10.638 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.999 10.769 4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.064 9.276 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.350 10.628 3.358 1.00 0.00 H new ATOM 865 N SER A 60 11.197 13.012 5.441 1.00 0.00 N ATOM 866 CA SER A 60 11.011 14.458 5.398 1.00 0.00 C ATOM 867 C SER A 60 11.143 15.061 6.790 1.00 0.00 C ATOM 868 O SER A 60 11.130 16.281 6.953 1.00 0.00 O ATOM 869 CB SER A 60 9.637 14.797 4.818 1.00 0.00 C ATOM 870 OG SER A 60 9.505 16.190 4.592 1.00 0.00 O ATOM 0 H SER A 60 10.329 12.479 5.489 1.00 0.00 H new ATOM 0 HA SER A 60 11.786 14.881 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.492 14.259 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.858 14.462 5.502 1.00 0.00 H new ATOM 0 HG SER A 60 9.990 16.682 5.288 1.00 0.00 H new ATOM 876 N ALA A 61 11.288 14.198 7.790 1.00 0.00 N ATOM 877 CA ALA A 61 11.414 14.642 9.172 1.00 0.00 C ATOM 878 C ALA A 61 12.570 13.933 9.882 1.00 0.00 C ATOM 879 O ALA A 61 12.372 13.310 10.924 1.00 0.00 O ATOM 880 CB ALA A 61 10.109 14.396 9.916 1.00 0.00 C ATOM 0 H ALA A 61 11.321 13.186 7.668 1.00 0.00 H new ATOM 0 HA ALA A 61 11.631 15.710 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.210 14.730 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.304 14.950 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.876 13.331 9.900 1.00 0.00 H new ATOM 946 N GLN A 66 11.081 11.360 12.373 1.00 0.00 N ATOM 947 CA GLN A 66 11.651 10.307 11.540 1.00 0.00 C ATOM 948 C GLN A 66 11.380 8.945 12.154 1.00 0.00 C ATOM 949 O GLN A 66 11.261 7.942 11.450 1.00 0.00 O ATOM 950 CB GLN A 66 13.155 10.500 11.381 1.00 0.00 C ATOM 951 CG GLN A 66 13.645 10.261 9.964 1.00 0.00 C ATOM 952 CD GLN A 66 15.041 9.669 9.918 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.321 8.770 9.126 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.927 10.173 10.770 1.00 0.00 N ATOM 0 HA GLN A 66 11.181 10.362 10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.418 11.514 11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.675 9.821 12.057 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.954 9.591 9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.637 11.204 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.652 10.918 11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.882 9.815 10.784 1.00 0.00 H new ATOM 963 N LYS A 67 11.305 8.920 13.477 1.00 0.00 N ATOM 964 CA LYS A 67 11.036 7.693 14.209 1.00 0.00 C ATOM 965 C LYS A 67 9.907 7.908 15.210 1.00 0.00 C ATOM 966 O LYS A 67 9.945 7.389 16.326 1.00 0.00 O ATOM 967 CB LYS A 67 12.293 7.214 14.938 1.00 0.00 C ATOM 968 CG LYS A 67 13.584 7.810 14.399 1.00 0.00 C ATOM 969 CD LYS A 67 14.703 7.733 15.425 1.00 0.00 C ATOM 970 CE LYS A 67 14.983 9.093 16.048 1.00 0.00 C ATOM 971 NZ LYS A 67 16.014 9.012 17.119 1.00 0.00 N ATOM 0 H LYS A 67 11.428 9.742 14.068 1.00 0.00 H new ATOM 0 HA LYS A 67 10.734 6.929 13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.204 7.462 15.996 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.349 6.128 14.869 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.881 7.280 13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.417 8.850 14.118 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.433 7.022 16.206 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.609 7.356 14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.317 9.785 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.060 9.499 16.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.176 9.959 17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.685 8.372 17.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.902 8.649 16.719 1.00 0.00 H new ATOM 985 N GLN A 68 8.887 8.654 14.790 1.00 0.00 N ATOM 986 CA GLN A 68 7.745 8.933 15.653 1.00 0.00 C ATOM 987 C GLN A 68 6.418 8.833 14.897 1.00 0.00 C ATOM 988 O GLN A 68 5.489 8.164 15.350 1.00 0.00 O ATOM 989 CB GLN A 68 7.886 10.326 16.267 1.00 0.00 C ATOM 990 CG GLN A 68 6.710 10.730 17.143 1.00 0.00 C ATOM 991 CD GLN A 68 6.907 12.083 17.797 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.154 13.082 17.122 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.797 12.123 19.120 1.00 0.00 N ATOM 0 H GLN A 68 8.829 9.073 13.862 1.00 0.00 H new ATOM 0 HA GLN A 68 7.735 8.180 16.441 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.799 10.361 16.861 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.999 11.057 15.466 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.803 10.751 16.539 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.561 9.976 17.916 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.591 11.270 19.641 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.918 13.006 19.615 1.00 0.00 H new ATOM 1002 N MET A 69 6.316 9.545 13.778 1.00 0.00 N ATOM 1003 CA MET A 69 5.076 9.584 13.003 1.00 0.00 C ATOM 1004 C MET A 69 4.915 8.374 12.085 1.00 0.00 C ATOM 1005 O MET A 69 3.979 8.324 11.286 1.00 0.00 O ATOM 1006 CB MET A 69 5.004 10.873 12.179 1.00 0.00 C ATOM 1007 CG MET A 69 5.976 10.914 11.008 1.00 0.00 C ATOM 1008 SD MET A 69 5.424 12.018 9.692 1.00 0.00 S ATOM 1009 CE MET A 69 6.980 12.404 8.893 1.00 0.00 C ATOM 0 H MET A 69 7.075 10.103 13.387 1.00 0.00 H new ATOM 0 HA MET A 69 4.256 9.557 13.721 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.989 10.994 11.800 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.203 11.722 12.833 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.954 11.238 11.363 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.099 9.908 10.607 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.104 13.486 8.841 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.800 11.972 9.466 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.984 11.989 7.885 1.00 0.00 H new ATOM 1019 N LEU A 70 5.812 7.401 12.193 1.00 0.00 N ATOM 1020 CA LEU A 70 5.736 6.212 11.353 1.00 0.00 C ATOM 1021 C LEU A 70 4.460 5.452 11.638 1.00 0.00 C ATOM 1022 O LEU A 70 3.646 5.216 10.748 1.00 0.00 O ATOM 1023 CB LEU A 70 6.923 5.275 11.606 1.00 0.00 C ATOM 1024 CG LEU A 70 8.202 5.922 12.130 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.447 7.271 11.474 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.134 6.046 13.640 1.00 0.00 C ATOM 0 H LEU A 70 6.594 7.411 12.848 1.00 0.00 H new ATOM 0 HA LEU A 70 5.755 6.545 10.315 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.610 4.512 12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.158 4.762 10.673 1.00 0.00 H new ATOM 0 HG LEU A 70 9.047 5.284 11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.365 7.706 11.868 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.542 7.140 10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.610 7.936 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.050 6.508 14.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.279 6.663 13.916 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.024 5.056 14.082 1.00 0.00 H new ATOM 1038 N GLY A 71 4.309 5.045 12.888 1.00 0.00 N ATOM 1039 CA GLY A 71 3.139 4.296 13.270 1.00 0.00 C ATOM 1040 C GLY A 71 2.288 5.022 14.295 1.00 0.00 C ATOM 1041 O GLY A 71 1.657 4.394 15.144 1.00 0.00 O ATOM 0 H GLY A 71 4.975 5.221 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.538 4.092 12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.446 3.332 13.676 1.00 0.00 H new ATOM 1045 N GLU A 72 2.273 6.353 14.217 1.00 0.00 N ATOM 1046 CA GLU A 72 1.496 7.165 15.150 1.00 0.00 C ATOM 1047 C GLU A 72 0.845 8.353 14.442 1.00 0.00 C ATOM 1048 O GLU A 72 0.130 9.140 15.062 1.00 0.00 O ATOM 1049 CB GLU A 72 2.389 7.665 16.289 1.00 0.00 C ATOM 1050 CG GLU A 72 2.952 6.550 17.155 1.00 0.00 C ATOM 1051 CD GLU A 72 3.087 6.953 18.610 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.105 7.480 19.173 1.00 0.00 O ATOM 1053 OE2 GLU A 72 4.174 6.738 19.188 1.00 0.00 O ATOM 0 H GLU A 72 2.789 6.889 13.519 1.00 0.00 H new ATOM 0 HA GLU A 72 0.706 6.537 15.561 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.215 8.238 15.867 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.815 8.347 16.917 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.304 5.676 17.083 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.929 6.255 16.771 1.00 0.00 H new ATOM 1060 N ARG A 73 1.095 8.472 13.142 1.00 0.00 N ATOM 1061 CA ARG A 73 0.527 9.550 12.342 1.00 0.00 C ATOM 1062 C ARG A 73 -0.178 8.978 11.121 1.00 0.00 C ATOM 1063 O ARG A 73 -1.073 9.604 10.552 1.00 0.00 O ATOM 1064 CB ARG A 73 1.624 10.520 11.904 1.00 0.00 C ATOM 1065 CG ARG A 73 1.176 11.973 11.873 1.00 0.00 C ATOM 1066 CD ARG A 73 0.467 12.312 10.572 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.580 13.313 10.763 1.00 0.00 N ATOM 1068 CZ ARG A 73 -1.775 13.253 10.182 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -2.076 12.245 9.376 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -2.671 14.205 10.408 1.00 0.00 N ATOM 0 H ARG A 73 1.691 7.831 12.618 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.198 10.091 12.950 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.473 10.425 12.581 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.974 10.235 10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.509 12.167 12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.041 12.624 11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.194 12.681 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.030 11.407 10.151 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.383 14.103 11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.390 11.511 9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.994 12.203 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.443 14.983 11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.587 14.159 9.962 1.00 0.00 H new ATOM 1084 N LEU A 74 0.227 7.773 10.739 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.371 7.082 9.608 1.00 0.00 C ATOM 1086 C LEU A 74 -1.720 6.506 9.986 1.00 0.00 C ATOM 1087 O LEU A 74 -2.544 6.214 9.126 1.00 0.00 O ATOM 1088 CB LEU A 74 0.538 5.948 9.157 1.00 0.00 C ATOM 1089 CG LEU A 74 1.331 6.224 7.894 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.722 5.630 8.009 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.595 5.682 6.678 1.00 0.00 C ATOM 0 H LEU A 74 0.973 7.253 11.201 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.502 7.801 8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.235 5.719 9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.069 5.057 8.999 1.00 0.00 H new ATOM 0 HG LEU A 74 1.435 7.302 7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.282 5.835 7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.239 6.075 8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.647 4.552 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.176 5.888 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.460 4.606 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.379 6.164 6.598 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.907 6.306 11.282 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.132 5.717 11.815 1.00 0.00 C ATOM 1105 C PHE A 75 -4.387 6.233 11.094 1.00 0.00 C ATOM 1106 O PHE A 75 -5.166 5.437 10.563 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.221 5.985 13.321 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.890 4.888 14.103 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.763 3.562 13.718 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.622 5.182 15.242 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.363 2.554 14.446 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -5.228 4.178 15.973 1.00 0.00 C ATOM 1113 CZ PHE A 75 -5.100 2.861 15.572 1.00 0.00 C ATOM 0 H PHE A 75 -1.217 6.546 11.994 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.090 4.642 11.640 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.215 6.133 13.713 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.766 6.915 13.482 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.188 3.315 12.838 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.720 6.209 15.563 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.256 1.525 14.135 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.800 4.422 16.856 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.576 2.074 16.139 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.600 7.565 11.037 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.776 8.138 10.370 1.00 0.00 C ATOM 1125 C PRO A 76 -5.696 8.035 8.850 1.00 0.00 C ATOM 1126 O PRO A 76 -6.700 8.194 8.157 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.753 9.603 10.806 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.320 9.891 11.082 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.740 8.614 11.627 1.00 0.00 C ATOM 0 HA PRO A 76 -6.691 7.611 10.641 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.145 10.255 10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.367 9.762 11.692 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.802 10.199 10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.216 10.705 11.800 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.697 8.490 11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.770 8.592 12.716 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.497 7.772 8.338 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.290 7.668 6.898 1.00 0.00 C ATOM 1139 C LEU A 77 -4.421 6.226 6.414 1.00 0.00 C ATOM 1140 O LEU A 77 -4.666 5.984 5.232 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.920 8.232 6.519 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.773 9.748 6.691 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.418 10.210 6.184 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.893 10.485 5.970 1.00 0.00 C ATOM 0 H LEU A 77 -3.657 7.627 8.898 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.067 8.254 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.160 7.738 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.714 7.978 5.479 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.843 9.980 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.330 11.289 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.629 9.711 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.321 9.962 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.768 11.559 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.859 10.247 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.855 10.177 6.380 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.261 5.267 7.325 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.406 3.859 6.970 1.00 0.00 C ATOM 1158 C ILE A 78 -5.872 3.529 6.752 1.00 0.00 C ATOM 1159 O ILE A 78 -6.222 2.774 5.847 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.852 2.920 8.048 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.429 3.323 8.439 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.892 1.479 7.557 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.383 2.946 7.413 1.00 0.00 C ATOM 0 H ILE A 78 -4.033 5.438 8.304 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.832 3.705 6.056 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.478 3.001 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.397 4.401 8.597 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.177 2.854 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.496 0.820 8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.922 1.199 7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.287 1.385 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.400 3.264 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.385 1.865 7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.609 3.436 6.466 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.726 4.111 7.592 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.169 3.923 7.469 1.00 0.00 C ATOM 1177 C GLN A 79 -8.617 4.233 6.044 1.00 0.00 C ATOM 1178 O GLN A 79 -9.703 3.845 5.616 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.901 4.836 8.451 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.329 4.139 9.731 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.177 5.019 10.955 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.132 5.235 11.702 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -7.971 5.533 11.167 1.00 0.00 N ATOM 0 H GLN A 79 -6.444 4.715 8.364 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.409 2.885 7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.254 5.676 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.782 5.249 7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.369 3.827 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.736 3.234 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.208 5.327 10.522 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.807 6.133 11.975 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.759 4.943 5.324 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.015 5.303 3.936 1.00 0.00 C ATOM 1194 C ALA A 80 -7.746 4.123 3.011 1.00 0.00 C ATOM 1195 O ALA A 80 -8.467 3.908 2.036 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.144 6.483 3.537 1.00 0.00 C ATOM 0 H ALA A 80 -6.868 5.285 5.684 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.065 5.581 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.341 6.746 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.371 7.336 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.094 6.215 3.650 1.00 0.00 H new ATOM 1202 N MET A 81 -6.686 3.377 3.310 1.00 0.00 N ATOM 1203 CA MET A 81 -6.315 2.217 2.505 1.00 0.00 C ATOM 1204 C MET A 81 -7.307 1.082 2.715 1.00 0.00 C ATOM 1205 O MET A 81 -7.749 0.440 1.764 1.00 0.00 O ATOM 1206 CB MET A 81 -4.906 1.745 2.873 1.00 0.00 C ATOM 1207 CG MET A 81 -3.938 2.879 3.157 1.00 0.00 C ATOM 1208 SD MET A 81 -2.770 2.476 4.463 1.00 0.00 S ATOM 1209 CE MET A 81 -1.305 2.115 3.502 1.00 0.00 C ATOM 0 H MET A 81 -6.069 3.555 4.103 1.00 0.00 H new ATOM 0 HA MET A 81 -6.331 2.510 1.455 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.966 1.101 3.751 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.511 1.138 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.390 3.122 2.246 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.499 3.770 3.438 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.422 2.213 4.134 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.364 1.097 3.117 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.235 2.814 2.669 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.645 0.844 3.975 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.581 -0.207 4.338 1.00 0.00 C ATOM 1221 C HIS A 82 -9.837 0.392 4.958 1.00 0.00 C ATOM 1222 O HIS A 82 -9.748 1.343 5.727 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.920 -1.163 5.331 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.121 -2.248 4.680 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.276 -3.564 5.037 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -6.171 -2.160 3.717 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.434 -4.246 4.283 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.737 -3.437 3.475 1.00 0.00 N ATOM 0 H HIS A 82 -7.280 1.371 4.768 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.862 -0.754 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.269 -0.592 5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.691 -1.616 5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.824 -1.258 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.322 -5.320 4.314 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.020 -3.718 2.807 1.00 0.00 H new ATOM 1236 N PRO A 83 -11.028 -0.149 4.627 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.300 0.351 5.166 1.00 0.00 C ATOM 1238 C PRO A 83 -12.271 0.476 6.688 1.00 0.00 C ATOM 1239 O PRO A 83 -12.726 -0.418 7.402 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.311 -0.711 4.733 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.718 -1.318 3.509 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.228 -1.291 3.712 1.00 0.00 C ATOM 0 HA PRO A 83 -12.535 1.351 4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.460 -1.457 5.513 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.285 -0.269 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.074 -2.339 3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.001 -0.756 2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.865 -2.222 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.697 -1.150 2.771 1.00 0.00 H new ATOM 1250 N THR A 84 -11.723 1.593 7.167 1.00 0.00 N ATOM 1251 CA THR A 84 -11.598 1.850 8.599 1.00 0.00 C ATOM 1252 C THR A 84 -11.112 0.607 9.342 1.00 0.00 C ATOM 1253 O THR A 84 -11.582 0.303 10.439 1.00 0.00 O ATOM 1254 CB THR A 84 -12.935 2.318 9.179 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.949 1.355 8.951 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.412 3.632 8.601 1.00 0.00 C ATOM 0 H THR A 84 -11.356 2.340 6.577 1.00 0.00 H new ATOM 0 HA THR A 84 -10.858 2.639 8.732 1.00 0.00 H new ATOM 0 HB THR A 84 -12.753 2.453 10.245 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.538 0.490 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.364 3.905 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.676 4.409 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.540 3.530 7.523 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.169 -0.109 8.736 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.627 -1.325 9.334 1.00 0.00 C ATOM 1266 C LEU A 85 -8.320 -1.043 10.068 1.00 0.00 C ATOM 1267 O LEU A 85 -7.652 -1.963 10.542 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.398 -2.384 8.256 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.496 -3.445 8.149 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.581 -3.985 6.730 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.242 -4.572 9.138 1.00 0.00 C ATOM 0 H LEU A 85 -9.764 0.132 7.831 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.353 -1.696 10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.301 -1.885 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.449 -2.883 8.454 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.451 -2.980 8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.367 -4.738 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.810 -3.170 6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.627 -4.435 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.031 -5.318 9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.279 -5.035 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.233 -4.171 10.152 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.964 0.234 10.159 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.741 0.643 10.838 1.00 0.00 C ATOM 1285 C ALA A 86 -6.943 0.697 12.346 1.00 0.00 C ATOM 1286 O ALA A 86 -6.726 1.731 12.975 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.279 1.995 10.316 1.00 0.00 C ATOM 0 H ALA A 86 -8.507 1.005 9.770 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.971 -0.099 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.365 2.291 10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.087 1.925 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.054 2.739 10.498 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.371 -0.421 12.919 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.551 -0.493 14.355 1.00 0.00 C ATOM 1295 C GLY A 87 -6.265 -0.883 15.047 1.00 0.00 C ATOM 1296 O GLY A 87 -6.166 -0.842 16.274 1.00 0.00 O ATOM 0 H GLY A 87 -7.596 -1.278 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.891 0.472 14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.329 -1.219 14.591 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.275 -1.258 14.242 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.970 -1.659 14.744 1.00 0.00 C ATOM 1302 C LYS A 88 -3.029 -1.977 13.585 1.00 0.00 C ATOM 1303 O LYS A 88 -2.171 -2.849 13.691 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.101 -2.882 15.663 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.797 -3.298 16.331 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.198 -2.170 17.155 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.721 -1.992 16.851 1.00 0.00 C ATOM 1308 NZ LYS A 88 0.011 -1.359 17.982 1.00 0.00 N ATOM 0 H LYS A 88 -5.357 -1.292 13.226 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.554 -0.831 15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.840 -2.666 16.435 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.483 -3.721 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.977 -4.161 16.973 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.082 -3.611 15.570 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.729 -1.242 16.946 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.331 -2.381 18.216 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.277 -2.963 16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.607 -1.379 15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.381 -0.435 17.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.637 -1.228 18.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.801 -1.971 18.270 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.203 -1.289 12.463 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.349 -1.531 11.313 1.00 0.00 C ATOM 1324 C ILE A 89 -1.004 -0.824 11.472 1.00 0.00 C ATOM 1325 O ILE A 89 -0.060 -1.397 12.011 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.017 -1.104 9.996 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.323 -1.881 9.801 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.067 -1.345 8.833 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.197 -1.348 8.688 1.00 0.00 C ATOM 0 H ILE A 89 -3.915 -0.572 12.328 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.181 -2.607 11.267 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.250 -0.040 10.036 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.085 -2.924 9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.888 -1.862 10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.546 -1.040 7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.157 -0.763 8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.816 -2.404 8.782 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.101 -1.952 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.468 -0.314 8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.653 -1.393 7.745 1.00 0.00 H new ATOM 1341 N THR A 90 -0.930 0.425 11.015 1.00 0.00 N ATOM 1342 CA THR A 90 0.301 1.208 11.093 1.00 0.00 C ATOM 1343 C THR A 90 0.870 1.212 12.506 1.00 0.00 C ATOM 1344 O THR A 90 2.083 1.110 12.693 1.00 0.00 O ATOM 1345 CB THR A 90 0.034 2.637 10.617 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.761 2.905 9.432 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.387 3.715 11.623 1.00 0.00 C ATOM 0 H THR A 90 -1.713 0.918 10.585 1.00 0.00 H new ATOM 0 HA THR A 90 1.044 0.745 10.443 1.00 0.00 H new ATOM 0 HB THR A 90 -1.043 2.677 10.456 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.641 3.270 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.165 4.695 11.200 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.198 3.571 12.531 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.449 3.656 11.862 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.001 1.366 13.497 1.00 0.00 N ATOM 1356 CA GLY A 91 0.455 1.352 14.870 1.00 0.00 C ATOM 1357 C GLY A 91 1.240 0.095 15.165 1.00 0.00 C ATOM 1358 O GLY A 91 2.179 0.102 15.962 1.00 0.00 O ATOM 0 H GLY A 91 -1.005 1.499 13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.077 2.227 15.060 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.401 1.417 15.542 1.00 0.00 H new ATOM 1362 N MET A 92 0.878 -0.979 14.474 1.00 0.00 N ATOM 1363 CA MET A 92 1.559 -2.257 14.635 1.00 0.00 C ATOM 1364 C MET A 92 2.805 -2.299 13.771 1.00 0.00 C ATOM 1365 O MET A 92 3.754 -3.017 14.070 1.00 0.00 O ATOM 1366 CB MET A 92 0.608 -3.411 14.290 1.00 0.00 C ATOM 1367 CG MET A 92 1.233 -4.524 13.473 1.00 0.00 C ATOM 1368 SD MET A 92 0.521 -6.137 13.836 1.00 0.00 S ATOM 1369 CE MET A 92 -0.656 -6.273 12.497 1.00 0.00 C ATOM 0 H MET A 92 0.116 -0.990 13.796 1.00 0.00 H new ATOM 0 HA MET A 92 1.864 -2.369 15.675 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.220 -3.833 15.217 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.244 -3.010 13.741 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.106 -4.306 12.413 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.305 -4.553 13.666 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.351 -7.086 12.705 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.209 -5.338 12.402 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.126 -6.477 11.566 1.00 0.00 H new ATOM 1379 N LEU A 93 2.809 -1.486 12.725 1.00 0.00 N ATOM 1380 CA LEU A 93 3.945 -1.406 11.822 1.00 0.00 C ATOM 1381 C LEU A 93 5.193 -0.958 12.560 1.00 0.00 C ATOM 1382 O LEU A 93 6.298 -1.003 12.022 1.00 0.00 O ATOM 1383 CB LEU A 93 3.637 -0.445 10.685 1.00 0.00 C ATOM 1384 CG LEU A 93 2.975 -1.086 9.466 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.956 -2.007 8.759 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.728 -1.852 9.880 1.00 0.00 C ATOM 0 H LEU A 93 2.034 -0.870 12.481 1.00 0.00 H new ATOM 0 HA LEU A 93 4.129 -2.399 11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.986 0.344 11.061 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.565 0.031 10.369 1.00 0.00 H new ATOM 0 HG LEU A 93 2.679 -0.297 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.472 -2.457 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.823 -1.433 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.277 -2.792 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.269 -2.302 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.000 -2.635 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.020 -1.169 10.349 1.00 0.00 H new ATOM 1398 N LEU A 94 5.010 -0.515 13.793 1.00 0.00 N ATOM 1399 CA LEU A 94 6.129 -0.125 14.623 1.00 0.00 C ATOM 1400 C LEU A 94 6.360 -1.199 15.673 1.00 0.00 C ATOM 1401 O LEU A 94 6.862 -0.931 16.765 1.00 0.00 O ATOM 1402 CB LEU A 94 5.860 1.232 15.267 1.00 0.00 C ATOM 1403 CG LEU A 94 6.483 2.424 14.534 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.063 2.426 13.068 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.091 3.729 15.209 1.00 0.00 C ATOM 0 H LEU A 94 4.097 -0.418 14.237 1.00 0.00 H new ATOM 0 HA LEU A 94 7.028 -0.027 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.782 1.383 15.327 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.237 1.215 16.290 1.00 0.00 H new ATOM 0 HG LEU A 94 7.568 2.330 14.579 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.514 3.279 12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.397 1.504 12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.977 2.497 13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.543 4.565 14.675 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.006 3.834 15.196 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.443 3.725 16.241 1.00 0.00 H new ATOM 1417 N GLU A 95 5.968 -2.424 15.322 1.00 0.00 N ATOM 1418 CA GLU A 95 6.098 -3.562 16.220 1.00 0.00 C ATOM 1419 C GLU A 95 5.906 -4.889 15.483 1.00 0.00 C ATOM 1420 O GLU A 95 6.000 -5.954 16.092 1.00 0.00 O ATOM 1421 CB GLU A 95 5.079 -3.451 17.358 1.00 0.00 C ATOM 1422 CG GLU A 95 3.678 -3.904 16.974 1.00 0.00 C ATOM 1423 CD GLU A 95 2.788 -4.133 18.179 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.572 -3.173 18.948 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.309 -5.272 18.356 1.00 0.00 O ATOM 0 H GLU A 95 5.556 -2.650 14.417 1.00 0.00 H new ATOM 0 HA GLU A 95 7.109 -3.547 16.628 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.425 -4.047 18.202 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.036 -2.415 17.695 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.222 -3.154 16.328 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.744 -4.825 16.396 1.00 0.00 H new ATOM 1432 N ILE A 96 5.653 -4.831 14.171 1.00 0.00 N ATOM 1433 CA ILE A 96 5.442 -6.054 13.387 1.00 0.00 C ATOM 1434 C ILE A 96 6.689 -6.933 13.365 1.00 0.00 C ATOM 1435 O ILE A 96 7.520 -6.894 14.273 1.00 0.00 O ATOM 1436 CB ILE A 96 5.073 -5.763 11.915 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.267 -5.180 11.164 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.868 -4.852 11.797 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.616 -3.774 11.561 1.00 0.00 C ATOM 0 H ILE A 96 5.590 -3.965 13.636 1.00 0.00 H new ATOM 0 HA ILE A 96 4.616 -6.564 13.882 1.00 0.00 H new ATOM 0 HB ILE A 96 4.803 -6.714 11.457 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.134 -5.819 11.331 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.056 -5.202 10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.647 -4.676 10.744 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.008 -5.322 12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.081 -3.902 12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.474 -3.435 10.981 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.766 -3.120 11.368 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.861 -3.746 12.623 1.00 0.00 H new ATOM 1451 N ASP A 97 6.829 -7.680 12.272 1.00 0.00 N ATOM 1452 CA ASP A 97 7.989 -8.514 12.026 1.00 0.00 C ATOM 1453 C ASP A 97 9.273 -7.694 12.101 1.00 0.00 C ATOM 1454 O ASP A 97 10.373 -8.243 12.035 1.00 0.00 O ATOM 1455 CB ASP A 97 7.858 -9.134 10.636 1.00 0.00 C ATOM 1456 CG ASP A 97 8.648 -10.419 10.492 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.215 -11.449 11.051 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.701 -10.397 9.818 1.00 0.00 O ATOM 0 H ASP A 97 6.131 -7.719 11.529 1.00 0.00 H new ATOM 0 HA ASP A 97 8.038 -9.293 12.787 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.807 -9.334 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.199 -8.417 9.889 1.00 0.00 H new ATOM 1463 N ASN A 98 9.107 -6.374 12.195 1.00 0.00 N ATOM 1464 CA ASN A 98 10.216 -5.426 12.259 1.00 0.00 C ATOM 1465 C ASN A 98 10.783 -5.160 10.876 1.00 0.00 C ATOM 1466 O ASN A 98 11.278 -4.068 10.592 1.00 0.00 O ATOM 1467 CB ASN A 98 11.319 -5.909 13.205 1.00 0.00 C ATOM 1468 CG ASN A 98 12.574 -6.362 12.480 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.416 -5.408 12.100 1.00 0.00 O flip ATOM 1470 ND2 ASN A 98 12.796 -7.558 12.283 1.00 0.00 N flip ATOM 0 H ASN A 98 8.189 -5.930 12.229 1.00 0.00 H new ATOM 0 HA ASN A 98 9.820 -4.492 12.658 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.576 -5.104 13.894 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.937 -6.734 13.807 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.122 -8.259 12.591 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.653 -7.847 11.812 1.00 0.00 H new ATOM 1477 N SER A 99 10.710 -6.165 10.021 1.00 0.00 N ATOM 1478 CA SER A 99 11.188 -6.027 8.652 1.00 0.00 C ATOM 1479 C SER A 99 10.296 -5.060 7.889 1.00 0.00 C ATOM 1480 O SER A 99 10.745 -4.369 6.976 1.00 0.00 O ATOM 1481 CB SER A 99 11.222 -7.382 7.947 1.00 0.00 C ATOM 1482 OG SER A 99 11.666 -8.404 8.823 1.00 0.00 O ATOM 0 H SER A 99 10.326 -7.083 10.247 1.00 0.00 H new ATOM 0 HA SER A 99 12.204 -5.633 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.227 -7.626 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.883 -7.328 7.082 1.00 0.00 H new ATOM 0 HG SER A 99 10.910 -8.979 9.065 1.00 0.00 H new ATOM 1488 N GLU A 100 9.031 -5.004 8.292 1.00 0.00 N ATOM 1489 CA GLU A 100 8.076 -4.082 7.695 1.00 0.00 C ATOM 1490 C GLU A 100 8.326 -2.678 8.213 1.00 0.00 C ATOM 1491 O GLU A 100 8.172 -1.702 7.486 1.00 0.00 O ATOM 1492 CB GLU A 100 6.650 -4.507 8.016 1.00 0.00 C ATOM 1493 CG GLU A 100 6.265 -5.850 7.432 1.00 0.00 C ATOM 1494 CD GLU A 100 6.700 -7.016 8.293 1.00 0.00 C ATOM 1495 OE1 GLU A 100 7.835 -7.502 8.105 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.901 -7.451 9.148 1.00 0.00 O ATOM 0 H GLU A 100 8.644 -5.589 9.032 1.00 0.00 H new ATOM 0 HA GLU A 100 8.206 -4.096 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.527 -4.544 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.962 -3.748 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.184 -5.886 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.710 -5.951 6.442 1.00 0.00 H new ATOM 1503 N LEU A 101 8.729 -2.591 9.477 1.00 0.00 N ATOM 1504 CA LEU A 101 9.041 -1.310 10.091 1.00 0.00 C ATOM 1505 C LEU A 101 10.245 -0.683 9.400 1.00 0.00 C ATOM 1506 O LEU A 101 10.360 0.536 9.317 1.00 0.00 O ATOM 1507 CB LEU A 101 9.325 -1.493 11.585 1.00 0.00 C ATOM 1508 CG LEU A 101 10.093 -0.348 12.251 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.133 0.596 12.958 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.124 -0.893 13.226 1.00 0.00 C ATOM 0 H LEU A 101 8.846 -3.394 10.094 1.00 0.00 H new ATOM 0 HA LEU A 101 8.183 -0.647 9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.376 -1.623 12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.891 -2.415 11.720 1.00 0.00 H new ATOM 0 HG LEU A 101 10.617 0.212 11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.696 1.404 13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.433 1.013 12.234 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.581 0.049 13.722 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.660 -0.065 13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.622 -1.477 13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.830 -1.528 12.691 1.00 0.00 H new ATOM 1522 N LEU A 102 11.130 -1.532 8.891 1.00 0.00 N ATOM 1523 CA LEU A 102 12.329 -1.070 8.203 1.00 0.00 C ATOM 1524 C LEU A 102 12.035 -0.721 6.749 1.00 0.00 C ATOM 1525 O LEU A 102 12.459 0.324 6.251 1.00 0.00 O ATOM 1526 CB LEU A 102 13.410 -2.150 8.249 1.00 0.00 C ATOM 1527 CG LEU A 102 14.479 -1.952 9.326 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.891 -2.173 10.712 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.653 -2.889 9.090 1.00 0.00 C ATOM 0 H LEU A 102 11.039 -2.547 8.942 1.00 0.00 H new ATOM 0 HA LEU A 102 12.678 -0.172 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.930 -3.116 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.900 -2.194 7.276 1.00 0.00 H new ATOM 0 HG LEU A 102 14.840 -0.925 9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.667 -2.028 11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.083 -1.461 10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.501 -3.188 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.403 -2.734 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.306 -3.922 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.092 -2.683 8.114 1.00 0.00 H new ATOM 1541 N HIS A 103 11.338 -1.618 6.062 1.00 0.00 N ATOM 1542 CA HIS A 103 11.022 -1.432 4.658 1.00 0.00 C ATOM 1543 C HIS A 103 10.103 -0.233 4.446 1.00 0.00 C ATOM 1544 O HIS A 103 10.290 0.546 3.512 1.00 0.00 O ATOM 1545 CB HIS A 103 10.366 -2.704 4.119 1.00 0.00 C ATOM 1546 CG HIS A 103 10.975 -3.213 2.847 1.00 0.00 C ATOM 1547 ND1 HIS A 103 10.244 -3.954 1.951 1.00 0.00 N ATOM 1548 CD2 HIS A 103 12.242 -3.079 2.381 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.068 -4.243 0.961 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.290 -3.734 1.179 1.00 0.00 N ATOM 0 H HIS A 103 10.980 -2.486 6.461 1.00 0.00 H new ATOM 0 HA HIS A 103 11.947 -1.234 4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.431 -3.484 4.878 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.307 -2.511 3.950 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.055 -2.557 2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 103 10.794 -4.816 0.087 1.00 0.00 H new ATOM 0 HE2 HIS A 103 13.101 -3.819 0.566 1.00 0.00 H new ATOM 1558 N MET A 104 9.106 -0.095 5.316 1.00 0.00 N ATOM 1559 CA MET A 104 8.142 0.994 5.221 1.00 0.00 C ATOM 1560 C MET A 104 8.833 2.355 5.226 1.00 0.00 C ATOM 1561 O MET A 104 8.366 3.295 4.586 1.00 0.00 O ATOM 1562 CB MET A 104 7.151 0.917 6.382 1.00 0.00 C ATOM 1563 CG MET A 104 7.794 1.180 7.730 1.00 0.00 C ATOM 1564 SD MET A 104 6.756 2.168 8.823 1.00 0.00 S ATOM 1565 CE MET A 104 5.157 1.428 8.514 1.00 0.00 C ATOM 0 H MET A 104 8.945 -0.729 6.099 1.00 0.00 H new ATOM 0 HA MET A 104 7.610 0.887 4.276 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.353 1.641 6.219 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.689 -0.070 6.393 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.017 0.228 8.212 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.745 1.692 7.580 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.494 1.631 9.355 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.730 1.851 7.605 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.272 0.351 8.394 1.00 0.00 H new ATOM 1575 N LEU A 105 9.926 2.464 5.977 1.00 0.00 N ATOM 1576 CA LEU A 105 10.665 3.719 6.068 1.00 0.00 C ATOM 1577 C LEU A 105 11.669 3.841 4.935 1.00 0.00 C ATOM 1578 O LEU A 105 12.258 4.902 4.729 1.00 0.00 O ATOM 1579 CB LEU A 105 11.407 3.815 7.405 1.00 0.00 C ATOM 1580 CG LEU A 105 10.621 3.345 8.628 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.527 3.279 9.848 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.442 4.263 8.888 1.00 0.00 C ATOM 0 H LEU A 105 10.318 1.701 6.529 1.00 0.00 H new ATOM 0 HA LEU A 105 9.941 4.531 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.323 3.228 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.704 4.852 7.562 1.00 0.00 H new ATOM 0 HG LEU A 105 10.238 2.344 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.952 2.943 10.711 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.341 2.579 9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.938 4.268 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.894 3.913 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.802 5.276 9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.781 4.261 8.021 1.00 0.00 H new ATOM 1594 N GLU A 106 11.878 2.746 4.213 1.00 0.00 N ATOM 1595 CA GLU A 106 12.865 2.736 3.144 1.00 0.00 C ATOM 1596 C GLU A 106 12.223 2.673 1.758 1.00 0.00 C ATOM 1597 O GLU A 106 12.923 2.754 0.747 1.00 0.00 O ATOM 1598 CB GLU A 106 13.834 1.563 3.340 1.00 0.00 C ATOM 1599 CG GLU A 106 13.529 0.351 2.473 1.00 0.00 C ATOM 1600 CD GLU A 106 14.561 -0.749 2.626 1.00 0.00 C ATOM 1601 OE1 GLU A 106 14.646 -1.335 3.726 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.284 -1.026 1.646 1.00 0.00 O ATOM 0 H GLU A 106 11.383 1.864 4.347 1.00 0.00 H new ATOM 0 HA GLU A 106 13.414 3.676 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.847 1.903 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.814 1.261 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.545 -0.040 2.734 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.483 0.658 1.428 1.00 0.00 H new ATOM 1609 N SER A 107 10.900 2.537 1.700 1.00 0.00 N ATOM 1610 CA SER A 107 10.218 2.453 0.411 1.00 0.00 C ATOM 1611 C SER A 107 8.864 3.161 0.434 1.00 0.00 C ATOM 1612 O SER A 107 8.064 2.960 1.348 1.00 0.00 O ATOM 1613 CB SER A 107 10.030 0.991 0.012 1.00 0.00 C ATOM 1614 OG SER A 107 10.093 0.833 -1.395 1.00 0.00 O ATOM 0 H SER A 107 10.288 2.483 2.514 1.00 0.00 H new ATOM 0 HA SER A 107 10.845 2.958 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.799 0.380 0.484 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.068 0.632 0.379 1.00 0.00 H new ATOM 0 HG SER A 107 9.971 -0.112 -1.624 1.00 0.00 H new ATOM 1620 N PRO A 108 8.576 3.982 -0.597 1.00 0.00 N ATOM 1621 CA PRO A 108 7.308 4.711 -0.707 1.00 0.00 C ATOM 1622 C PRO A 108 6.139 3.779 -1.016 1.00 0.00 C ATOM 1623 O PRO A 108 5.001 4.220 -1.172 1.00 0.00 O ATOM 1624 CB PRO A 108 7.536 5.683 -1.877 1.00 0.00 C ATOM 1625 CG PRO A 108 9.002 5.638 -2.158 1.00 0.00 C ATOM 1626 CD PRO A 108 9.464 4.278 -1.731 1.00 0.00 C ATOM 0 HA PRO A 108 7.048 5.211 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.960 5.384 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.218 6.692 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.201 5.803 -3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.528 6.419 -1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.360 3.544 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.513 4.280 -1.435 1.00 0.00 H new ATOM 1634 N GLU A 109 6.436 2.489 -1.111 1.00 0.00 N ATOM 1635 CA GLU A 109 5.419 1.483 -1.387 1.00 0.00 C ATOM 1636 C GLU A 109 5.441 0.397 -0.324 1.00 0.00 C ATOM 1637 O GLU A 109 4.531 -0.423 -0.249 1.00 0.00 O ATOM 1638 CB GLU A 109 5.645 0.866 -2.768 1.00 0.00 C ATOM 1639 CG GLU A 109 5.551 1.869 -3.906 1.00 0.00 C ATOM 1640 CD GLU A 109 5.917 1.266 -5.248 1.00 0.00 C ATOM 1641 OE1 GLU A 109 5.883 0.025 -5.373 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.237 2.039 -6.177 1.00 0.00 O ATOM 0 H GLU A 109 7.378 2.114 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 109 4.443 1.968 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.628 0.396 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.910 0.077 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.536 2.264 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.211 2.711 -3.698 1.00 0.00 H new ATOM 1649 N SER A 110 6.482 0.400 0.502 1.00 0.00 N ATOM 1650 CA SER A 110 6.584 -0.566 1.586 1.00 0.00 C ATOM 1651 C SER A 110 5.689 -0.146 2.730 1.00 0.00 C ATOM 1652 O SER A 110 4.939 -0.949 3.277 1.00 0.00 O ATOM 1653 CB SER A 110 8.023 -0.698 2.071 1.00 0.00 C ATOM 1654 OG SER A 110 8.623 -1.874 1.560 1.00 0.00 O ATOM 0 H SER A 110 7.261 1.056 0.441 1.00 0.00 H new ATOM 0 HA SER A 110 6.263 -1.538 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.598 0.174 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.043 -0.719 3.161 1.00 0.00 H new ATOM 0 HG SER A 110 9.503 -1.657 1.187 1.00 0.00 H new ATOM 1660 N LEU A 111 5.746 1.131 3.055 1.00 0.00 N ATOM 1661 CA LEU A 111 4.888 1.695 4.071 1.00 0.00 C ATOM 1662 C LEU A 111 3.452 1.245 3.823 1.00 0.00 C ATOM 1663 O LEU A 111 2.743 0.836 4.744 1.00 0.00 O ATOM 1664 CB LEU A 111 5.009 3.224 4.003 1.00 0.00 C ATOM 1665 CG LEU A 111 4.464 4.030 5.190 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.089 3.542 5.624 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.444 3.993 6.347 1.00 0.00 C ATOM 0 H LEU A 111 6.384 1.800 2.624 1.00 0.00 H new ATOM 0 HA LEU A 111 5.181 1.356 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.063 3.473 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.497 3.563 3.103 1.00 0.00 H new ATOM 0 HG LEU A 111 4.348 5.064 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.740 4.139 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.389 3.641 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.152 2.496 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.044 4.569 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.599 2.960 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.395 4.423 6.032 1.00 0.00 H new ATOM 1679 N ARG A 112 3.056 1.258 2.556 1.00 0.00 N ATOM 1680 CA ARG A 112 1.711 0.865 2.175 1.00 0.00 C ATOM 1681 C ARG A 112 1.570 -0.655 2.101 1.00 0.00 C ATOM 1682 O ARG A 112 0.762 -1.242 2.818 1.00 0.00 O ATOM 1683 CB ARG A 112 1.346 1.508 0.836 1.00 0.00 C ATOM 1684 CG ARG A 112 0.474 0.636 -0.048 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.175 1.440 -1.161 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.400 2.833 -0.777 1.00 0.00 N ATOM 1687 CZ ARG A 112 0.065 3.871 -1.465 1.00 0.00 C ATOM 1688 NH1 ARG A 112 0.781 3.676 -2.565 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -0.184 5.107 -1.053 1.00 0.00 N ATOM 0 H ARG A 112 3.651 1.537 1.776 1.00 0.00 H new ATOM 0 HA ARG A 112 1.021 1.217 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.829 2.449 1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.263 1.751 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.077 -0.163 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.299 0.161 0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.458 1.407 -2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.126 0.981 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.944 3.018 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.976 2.727 -2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.136 4.475 -3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.733 5.262 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.173 5.903 -1.582 1.00 0.00 H new ATOM 1703 N SER A 113 2.344 -1.282 1.219 1.00 0.00 N ATOM 1704 CA SER A 113 2.287 -2.730 1.035 1.00 0.00 C ATOM 1705 C SER A 113 2.358 -3.459 2.371 1.00 0.00 C ATOM 1706 O SER A 113 1.501 -4.284 2.685 1.00 0.00 O ATOM 1707 CB SER A 113 3.428 -3.198 0.128 1.00 0.00 C ATOM 1708 OG SER A 113 2.937 -3.634 -1.127 1.00 0.00 O ATOM 0 H SER A 113 3.020 -0.809 0.619 1.00 0.00 H new ATOM 0 HA SER A 113 1.333 -2.968 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.137 -2.383 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.971 -4.010 0.611 1.00 0.00 H new ATOM 0 HG SER A 113 3.686 -3.926 -1.688 1.00 0.00 H new ATOM 1714 N LYS A 114 3.381 -3.141 3.157 1.00 0.00 N ATOM 1715 CA LYS A 114 3.563 -3.764 4.462 1.00 0.00 C ATOM 1716 C LYS A 114 2.374 -3.482 5.373 1.00 0.00 C ATOM 1717 O LYS A 114 2.045 -4.293 6.236 1.00 0.00 O ATOM 1718 CB LYS A 114 4.855 -3.275 5.120 1.00 0.00 C ATOM 1719 CG LYS A 114 6.098 -3.514 4.275 1.00 0.00 C ATOM 1720 CD LYS A 114 6.311 -4.993 3.997 1.00 0.00 C ATOM 1721 CE LYS A 114 7.680 -5.256 3.390 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.981 -6.711 3.312 1.00 0.00 N ATOM 0 H LYS A 114 4.096 -2.456 2.913 1.00 0.00 H new ATOM 0 HA LYS A 114 3.633 -4.841 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.766 -2.209 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.976 -3.777 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.006 -2.976 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.971 -3.111 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.209 -5.557 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.537 -5.352 3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.724 -4.822 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.444 -4.759 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.923 -6.849 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.964 -7.121 4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.267 -7.182 2.721 1.00 0.00 H new ATOM 1736 N VAL A 115 1.723 -2.335 5.175 1.00 0.00 N ATOM 1737 CA VAL A 115 0.556 -1.987 5.978 1.00 0.00 C ATOM 1738 C VAL A 115 -0.634 -2.860 5.587 1.00 0.00 C ATOM 1739 O VAL A 115 -1.197 -3.562 6.426 1.00 0.00 O ATOM 1740 CB VAL A 115 0.199 -0.486 5.851 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.308 -0.263 5.836 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.835 0.296 6.988 1.00 0.00 C ATOM 0 H VAL A 115 1.982 -1.641 4.474 1.00 0.00 H new ATOM 0 HA VAL A 115 0.803 -2.174 7.023 1.00 0.00 H new ATOM 0 HB VAL A 115 0.593 -0.128 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.517 0.803 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.746 -0.792 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.741 -0.640 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.579 1.351 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.465 -0.082 7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.918 0.180 6.948 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.988 -2.842 4.302 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.092 -3.654 3.800 1.00 0.00 C ATOM 1754 C ASP A 116 -1.893 -5.118 4.177 1.00 0.00 C ATOM 1755 O ASP A 116 -2.855 -5.836 4.459 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.208 -3.511 2.279 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.791 -4.747 1.619 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.920 -5.138 1.982 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -2.118 -5.323 0.739 1.00 0.00 O ATOM 0 H ASP A 116 -0.526 -2.274 3.592 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.016 -3.300 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.834 -2.650 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.222 -3.311 1.860 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.638 -5.556 4.180 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.309 -6.921 4.557 1.00 0.00 C ATOM 1766 C GLU A 117 -0.436 -7.075 6.065 1.00 0.00 C ATOM 1767 O GLU A 117 -0.924 -8.091 6.561 1.00 0.00 O ATOM 1768 CB GLU A 117 1.110 -7.268 4.092 1.00 0.00 C ATOM 1769 CG GLU A 117 1.969 -7.931 5.156 1.00 0.00 C ATOM 1770 CD GLU A 117 3.223 -8.563 4.586 1.00 0.00 C ATOM 1771 OE1 GLU A 117 3.987 -7.853 3.899 1.00 0.00 O ATOM 1772 OE2 GLU A 117 3.442 -9.770 4.826 1.00 0.00 O ATOM 0 H GLU A 117 0.166 -4.983 3.925 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.003 -7.609 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.046 -7.930 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.604 -6.356 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.249 -7.190 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.382 -8.695 5.667 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.014 -6.042 6.786 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.112 -6.038 8.237 1.00 0.00 C ATOM 1781 C ALA A 118 -1.566 -6.115 8.662 1.00 0.00 C ATOM 1782 O ALA A 118 -1.872 -6.537 9.773 1.00 0.00 O ATOM 1783 CB ALA A 118 0.553 -4.807 8.826 1.00 0.00 C ATOM 0 H ALA A 118 0.399 -5.198 6.388 1.00 0.00 H new ATOM 0 HA ALA A 118 0.412 -6.914 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.465 -4.830 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.607 -4.795 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.066 -3.911 8.441 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.462 -5.712 7.767 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.886 -5.799 8.035 1.00 0.00 C ATOM 1791 C VAL A 119 -4.312 -7.249 8.079 1.00 0.00 C ATOM 1792 O VAL A 119 -4.985 -7.683 9.007 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.717 -5.079 6.978 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.164 -5.013 7.429 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.151 -3.698 6.715 1.00 0.00 C ATOM 0 H VAL A 119 -2.225 -5.324 6.854 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.061 -5.315 8.996 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.676 -5.633 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.758 -4.498 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.549 -6.024 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.227 -4.470 8.372 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.754 -3.196 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.167 -3.117 7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.124 -3.787 6.360 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.902 -7.993 7.063 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.183 -9.413 7.003 1.00 0.00 C ATOM 1807 C ALA A 120 -3.576 -10.100 8.218 1.00 0.00 C ATOM 1808 O ALA A 120 -4.064 -11.130 8.686 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.616 -9.999 5.720 1.00 0.00 C ATOM 0 H ALA A 120 -3.373 -7.633 6.269 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.261 -9.573 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.831 -11.067 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.073 -9.506 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.537 -9.845 5.695 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.515 -9.489 8.733 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.816 -9.987 9.904 1.00 0.00 C ATOM 1817 C VAL A 121 -2.508 -9.514 11.180 1.00 0.00 C ATOM 1818 O VAL A 121 -2.495 -10.201 12.202 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.349 -9.508 9.890 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.270 -9.571 11.274 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.464 -10.322 8.895 1.00 0.00 C ATOM 0 H VAL A 121 -2.117 -8.633 8.347 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.834 -11.077 9.881 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.339 -8.464 9.576 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.303 -9.227 11.227 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.294 -8.933 11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.247 -10.599 11.637 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.496 -9.972 8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.437 -11.374 9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.042 -10.203 7.897 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.121 -8.337 11.102 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.845 -7.770 12.232 1.00 0.00 C ATOM 1833 C LEU A 122 -5.182 -8.478 12.396 1.00 0.00 C ATOM 1834 O LEU A 122 -5.674 -8.660 13.510 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.046 -6.261 12.028 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.491 -5.758 12.121 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.748 -5.134 13.483 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.777 -4.758 11.012 1.00 0.00 C ATOM 0 H LEU A 122 -3.130 -7.756 10.264 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.263 -7.915 13.142 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.449 -5.731 12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.650 -5.991 11.049 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.163 -6.608 11.999 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.778 -4.782 13.533 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.581 -5.878 14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.070 -4.294 13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.807 -4.411 11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.099 -3.909 11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.630 -5.236 10.044 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.754 -8.882 11.269 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.016 -9.602 11.264 1.00 0.00 C ATOM 1852 C GLN A 123 -6.829 -10.977 11.887 1.00 0.00 C ATOM 1853 O GLN A 123 -7.718 -11.494 12.564 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.544 -9.732 9.833 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.230 -8.477 9.321 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.602 -8.758 8.738 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.780 -9.701 7.967 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.580 -7.940 9.106 1.00 0.00 N ATOM 0 H GLN A 123 -5.359 -8.721 10.342 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.745 -9.046 11.853 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.715 -9.979 9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.247 -10.564 9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.326 -7.761 10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.605 -8.010 8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.387 -7.171 9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.524 -8.080 8.747 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.646 -11.543 11.679 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.303 -12.835 12.251 1.00 0.00 C ATOM 1869 C ALA A 124 -4.954 -12.691 13.722 1.00 0.00 C ATOM 1870 O ALA A 124 -5.761 -13.022 14.587 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.142 -13.457 11.490 1.00 0.00 C ATOM 0 H ALA A 124 -4.907 -11.123 11.115 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.169 -13.492 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.896 -14.424 11.929 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.423 -13.593 10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.274 -12.800 11.549 1.00 0.00 H new