USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= 0.234 K(o=0.59,f=-2.4) USER MOD Set 1.2: A 110 SER OG : rot 139:sc= 0.356 USER MOD Set 2.1: A 88 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 2.2: A 92 MET CE :methyl -115:sc= -2.2 (180deg=-6.51!) USER MOD Set 3.1: A 79 GLN : amide:sc= 0.00848 K(o=0.3,f=-0.44) USER MOD Set 3.2: A 84 THR OG1 : rot -50:sc= 0.288 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= -0.244 USER MOD Set 4.2: A 57 MET CE :methyl 179:sc= -2.13 (180deg=-2.13) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -33:sc= 0.417 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.72) 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 -124:sc= -2.42! (180deg=-4.74!) USER MOD Single : A 81 MET CE :methyl 167:sc= -1.14 (180deg=-1.63) USER MOD Single : A 82 HIS : no HD1:sc= -15.1! C(o=-15!,f=-19!) USER MOD Single : A 90 THR OG1 : rot -100:sc= -3.63! USER MOD Single : A 98 ASN :FLIP amide:sc= 0.437 F(o=-1.6,f=0.44) USER MOD Single : A 99 SER OG : rot 105:sc= 0.0208 USER MOD Single : A 104 MET CE :methyl -167:sc= -6.06! (180deg=-7.52!) 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 :FLIP amide:sc= -1.24 F(o=-1.9,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.817 8.931 3.462 1.00 0.00 N ATOM 766 CA LEU A 53 2.088 8.883 4.175 1.00 0.00 C ATOM 767 C LEU A 53 2.870 7.628 3.814 1.00 0.00 C ATOM 768 O LEU A 53 2.287 6.584 3.518 1.00 0.00 O ATOM 769 CB LEU A 53 1.856 8.928 5.685 1.00 0.00 C ATOM 770 CG LEU A 53 2.856 9.784 6.467 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.171 11.010 7.048 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.515 8.973 7.570 1.00 0.00 C ATOM 0 HA LEU A 53 2.671 9.754 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.851 9.307 5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.890 7.910 6.073 1.00 0.00 H new ATOM 0 HG LEU A 53 3.631 10.115 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.898 11.606 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.750 11.609 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.373 10.696 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.221 9.602 8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.753 8.608 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.045 8.127 7.133 1.00 0.00 H new ATOM 784 N THR A 54 4.192 7.738 3.841 1.00 0.00 N ATOM 785 CA THR A 54 5.065 6.613 3.535 1.00 0.00 C ATOM 786 C THR A 54 6.504 6.939 3.910 1.00 0.00 C ATOM 787 O THR A 54 6.757 7.879 4.664 1.00 0.00 O ATOM 788 CB THR A 54 4.977 6.248 2.051 1.00 0.00 C ATOM 789 OG1 THR A 54 4.257 7.234 1.331 1.00 0.00 O ATOM 790 CG2 THR A 54 4.306 4.915 1.806 1.00 0.00 C ATOM 0 H THR A 54 4.685 8.600 4.073 1.00 0.00 H new ATOM 0 HA THR A 54 4.735 5.756 4.122 1.00 0.00 H new ATOM 0 HB THR A 54 6.009 6.187 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.214 6.982 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.275 4.715 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.869 4.127 2.306 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.290 4.941 2.200 1.00 0.00 H new ATOM 798 N ALA A 55 7.441 6.162 3.382 1.00 0.00 N ATOM 799 CA ALA A 55 8.852 6.360 3.682 1.00 0.00 C ATOM 800 C ALA A 55 9.309 7.766 3.310 1.00 0.00 C ATOM 801 O ALA A 55 10.082 8.386 4.040 1.00 0.00 O ATOM 802 CB ALA A 55 9.693 5.322 2.964 1.00 0.00 C ATOM 0 H ALA A 55 7.249 5.389 2.744 1.00 0.00 H new ATOM 0 HA ALA A 55 8.986 6.241 4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.746 5.482 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.397 4.325 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.542 5.412 1.888 1.00 0.00 H new ATOM 808 N SER A 56 8.832 8.262 2.173 1.00 0.00 N ATOM 809 CA SER A 56 9.189 9.601 1.717 1.00 0.00 C ATOM 810 C SER A 56 8.787 10.644 2.754 1.00 0.00 C ATOM 811 O SER A 56 9.567 11.536 3.088 1.00 0.00 O ATOM 812 CB SER A 56 8.518 9.907 0.378 1.00 0.00 C ATOM 813 OG SER A 56 9.049 9.099 -0.655 1.00 0.00 O ATOM 0 H SER A 56 8.199 7.759 1.552 1.00 0.00 H new ATOM 0 HA SER A 56 10.270 9.639 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.444 9.739 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.658 10.959 0.129 1.00 0.00 H new ATOM 0 HG SER A 56 8.602 9.313 -1.500 1.00 0.00 H new ATOM 819 N MET A 57 7.567 10.515 3.268 1.00 0.00 N ATOM 820 CA MET A 57 7.067 11.427 4.289 1.00 0.00 C ATOM 821 C MET A 57 7.942 11.358 5.532 1.00 0.00 C ATOM 822 O MET A 57 8.273 12.379 6.133 1.00 0.00 O ATOM 823 CB MET A 57 5.623 11.074 4.652 1.00 0.00 C ATOM 824 CG MET A 57 4.585 11.594 3.666 1.00 0.00 C ATOM 825 SD MET A 57 5.269 11.961 2.037 1.00 0.00 S ATOM 826 CE MET A 57 5.080 10.373 1.228 1.00 0.00 C ATOM 0 H MET A 57 6.907 9.787 2.993 1.00 0.00 H new ATOM 0 HA MET A 57 7.096 12.441 3.891 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.532 9.990 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.401 11.475 5.641 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.791 10.854 3.561 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.128 12.496 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.442 10.442 0.202 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.655 9.620 1.766 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.027 10.090 1.223 1.00 0.00 H new ATOM 836 N LEU A 58 8.320 10.138 5.902 1.00 0.00 N ATOM 837 CA LEU A 58 9.177 9.912 7.059 1.00 0.00 C ATOM 838 C LEU A 58 10.496 10.658 6.902 1.00 0.00 C ATOM 839 O LEU A 58 10.956 11.340 7.819 1.00 0.00 O ATOM 840 CB LEU A 58 9.455 8.413 7.217 1.00 0.00 C ATOM 841 CG LEU A 58 8.329 7.565 7.834 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.055 8.376 8.041 1.00 0.00 C ATOM 843 CD2 LEU A 58 8.052 6.355 6.955 1.00 0.00 C ATOM 0 H LEU A 58 8.044 9.286 5.413 1.00 0.00 H new ATOM 0 HA LEU A 58 8.664 10.284 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.690 8.005 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.347 8.295 7.832 1.00 0.00 H new ATOM 0 HG LEU A 58 8.662 7.230 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.286 7.740 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.260 9.211 8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.707 8.758 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.254 5.759 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.749 6.688 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.955 5.750 6.874 1.00 0.00 H new ATOM 855 N ALA A 59 11.098 10.520 5.725 1.00 0.00 N ATOM 856 CA ALA A 59 12.370 11.168 5.425 1.00 0.00 C ATOM 857 C ALA A 59 12.217 12.683 5.353 1.00 0.00 C ATOM 858 O ALA A 59 13.207 13.413 5.290 1.00 0.00 O ATOM 859 CB ALA A 59 12.936 10.630 4.120 1.00 0.00 C ATOM 0 H ALA A 59 10.722 9.961 4.959 1.00 0.00 H new ATOM 0 HA ALA A 59 13.064 10.941 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.886 11.120 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.094 9.555 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.234 10.828 3.310 1.00 0.00 H new ATOM 865 N SER A 60 10.973 13.149 5.353 1.00 0.00 N ATOM 866 CA SER A 60 10.693 14.579 5.284 1.00 0.00 C ATOM 867 C SER A 60 10.799 15.224 6.661 1.00 0.00 C ATOM 868 O SER A 60 10.730 16.446 6.791 1.00 0.00 O ATOM 869 CB SER A 60 9.298 14.820 4.704 1.00 0.00 C ATOM 870 OG SER A 60 9.020 16.206 4.603 1.00 0.00 O ATOM 0 H SER A 60 10.143 12.558 5.400 1.00 0.00 H new ATOM 0 HA SER A 60 11.436 15.036 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.226 14.359 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.550 14.341 5.336 1.00 0.00 H new ATOM 0 HG SER A 60 9.456 16.682 5.341 1.00 0.00 H new ATOM 876 N ALA A 61 10.972 14.396 7.688 1.00 0.00 N ATOM 877 CA ALA A 61 11.088 14.890 9.056 1.00 0.00 C ATOM 878 C ALA A 61 12.246 14.219 9.801 1.00 0.00 C ATOM 879 O ALA A 61 12.049 13.651 10.876 1.00 0.00 O ATOM 880 CB ALA A 61 9.781 14.670 9.804 1.00 0.00 C ATOM 0 H ALA A 61 11.035 13.382 7.599 1.00 0.00 H new ATOM 0 HA ALA A 61 11.299 15.958 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.878 15.042 10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.978 15.205 9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.550 13.605 9.827 1.00 0.00 H new ATOM 946 N GLN A 66 10.451 10.974 11.834 1.00 0.00 N ATOM 947 CA GLN A 66 11.209 9.926 11.151 1.00 0.00 C ATOM 948 C GLN A 66 10.848 8.554 11.711 1.00 0.00 C ATOM 949 O GLN A 66 10.302 7.707 11.003 1.00 0.00 O ATOM 950 CB GLN A 66 12.716 10.170 11.266 1.00 0.00 C ATOM 951 CG GLN A 66 13.404 10.361 9.924 1.00 0.00 C ATOM 952 CD GLN A 66 14.902 10.139 9.998 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.489 10.132 11.081 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.531 9.959 8.842 1.00 0.00 N ATOM 0 HA GLN A 66 10.942 9.953 10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.887 11.053 11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.174 9.327 11.783 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.974 9.671 9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.208 11.369 9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.005 9.972 7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.540 9.807 8.828 1.00 0.00 H new ATOM 963 N LYS A 67 11.130 8.354 12.991 1.00 0.00 N ATOM 964 CA LYS A 67 10.815 7.099 13.658 1.00 0.00 C ATOM 965 C LYS A 67 9.714 7.296 14.693 1.00 0.00 C ATOM 966 O LYS A 67 9.589 6.514 15.636 1.00 0.00 O ATOM 967 CB LYS A 67 12.063 6.525 14.327 1.00 0.00 C ATOM 968 CG LYS A 67 12.846 7.544 15.138 1.00 0.00 C ATOM 969 CD LYS A 67 14.199 6.998 15.565 1.00 0.00 C ATOM 970 CE LYS A 67 15.320 7.977 15.256 1.00 0.00 C ATOM 971 NZ LYS A 67 16.379 7.361 14.410 1.00 0.00 N ATOM 0 H LYS A 67 11.578 9.048 13.590 1.00 0.00 H new ATOM 0 HA LYS A 67 10.460 6.395 12.905 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.769 5.703 14.980 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.715 6.106 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.988 8.449 14.547 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.272 7.826 16.020 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.185 6.785 16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.389 6.054 15.054 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.910 8.849 14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.760 8.330 16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.124 8.061 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.789 6.544 14.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.965 7.047 13.509 1.00 0.00 H new ATOM 985 N GLN A 68 8.906 8.335 14.501 1.00 0.00 N ATOM 986 CA GLN A 68 7.814 8.629 15.420 1.00 0.00 C ATOM 987 C GLN A 68 6.462 8.562 14.716 1.00 0.00 C ATOM 988 O GLN A 68 5.555 7.859 15.163 1.00 0.00 O ATOM 989 CB GLN A 68 8.005 10.015 16.042 1.00 0.00 C ATOM 990 CG GLN A 68 9.382 10.224 16.651 1.00 0.00 C ATOM 991 CD GLN A 68 9.317 10.684 18.094 1.00 0.00 C ATOM 992 OE1 GLN A 68 9.038 11.850 18.375 1.00 0.00 O ATOM 993 NE2 GLN A 68 9.575 9.767 19.020 1.00 0.00 N ATOM 0 H GLN A 68 8.987 8.985 13.719 1.00 0.00 H new ATOM 0 HA GLN A 68 7.828 7.874 16.206 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.836 10.774 15.278 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.249 10.165 16.813 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.945 9.292 16.595 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.927 10.962 16.062 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.802 8.812 18.743 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.546 10.018 20.008 1.00 0.00 H new ATOM 1002 N MET A 69 6.328 9.307 13.622 1.00 0.00 N ATOM 1003 CA MET A 69 5.071 9.359 12.880 1.00 0.00 C ATOM 1004 C MET A 69 4.901 8.163 11.944 1.00 0.00 C ATOM 1005 O MET A 69 3.925 8.093 11.196 1.00 0.00 O ATOM 1006 CB MET A 69 4.987 10.661 12.079 1.00 0.00 C ATOM 1007 CG MET A 69 6.028 10.773 10.978 1.00 0.00 C ATOM 1008 SD MET A 69 5.508 11.865 9.641 1.00 0.00 S ATOM 1009 CE MET A 69 7.088 12.278 8.906 1.00 0.00 C ATOM 0 H MET A 69 7.073 9.882 13.230 1.00 0.00 H new ATOM 0 HA MET A 69 4.263 9.322 13.610 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.994 10.741 11.637 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.101 11.504 12.761 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.962 11.143 11.402 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.232 9.782 10.574 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.210 13.361 8.890 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.890 11.832 9.493 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.127 11.893 7.887 1.00 0.00 H new ATOM 1019 N LEU A 70 5.843 7.223 11.982 1.00 0.00 N ATOM 1020 CA LEU A 70 5.760 6.039 11.126 1.00 0.00 C ATOM 1021 C LEU A 70 4.560 5.177 11.499 1.00 0.00 C ATOM 1022 O LEU A 70 3.862 4.662 10.627 1.00 0.00 O ATOM 1023 CB LEU A 70 7.037 5.183 11.188 1.00 0.00 C ATOM 1024 CG LEU A 70 8.016 5.472 12.336 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.306 5.521 13.679 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.102 4.412 12.364 1.00 0.00 C ATOM 0 H LEU A 70 6.663 7.255 12.588 1.00 0.00 H new ATOM 0 HA LEU A 70 5.644 6.406 10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.740 4.136 11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.573 5.306 10.247 1.00 0.00 H new ATOM 0 HG LEU A 70 8.462 6.451 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.031 5.728 14.466 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.553 6.309 13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.825 4.562 13.871 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.794 4.621 13.180 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.650 3.432 12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.643 4.421 11.418 1.00 0.00 H new ATOM 1038 N GLY A 71 4.336 5.004 12.798 1.00 0.00 N ATOM 1039 CA GLY A 71 3.222 4.192 13.247 1.00 0.00 C ATOM 1040 C GLY A 71 2.400 4.867 14.330 1.00 0.00 C ATOM 1041 O GLY A 71 1.873 4.203 15.222 1.00 0.00 O ATOM 0 H GLY A 71 4.903 5.409 13.543 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.578 3.965 12.397 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.600 3.241 13.624 1.00 0.00 H new ATOM 1045 N GLU A 72 2.282 6.190 14.244 1.00 0.00 N ATOM 1046 CA GLU A 72 1.522 6.956 15.229 1.00 0.00 C ATOM 1047 C GLU A 72 0.821 8.149 14.580 1.00 0.00 C ATOM 1048 O GLU A 72 0.086 8.887 15.238 1.00 0.00 O ATOM 1049 CB GLU A 72 2.451 7.424 16.355 1.00 0.00 C ATOM 1050 CG GLU A 72 2.900 8.875 16.240 1.00 0.00 C ATOM 1051 CD GLU A 72 3.479 9.408 17.535 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.759 9.407 18.554 1.00 0.00 O ATOM 1053 OE2 GLU A 72 4.657 9.828 17.530 1.00 0.00 O ATOM 0 H GLU A 72 2.702 6.753 13.504 1.00 0.00 H new ATOM 0 HA GLU A 72 0.752 6.308 15.649 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.942 7.289 17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.333 6.784 16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.646 8.959 15.450 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.052 9.492 15.944 1.00 0.00 H new ATOM 1060 N ARG A 73 1.063 8.336 13.288 1.00 0.00 N ATOM 1061 CA ARG A 73 0.456 9.425 12.540 1.00 0.00 C ATOM 1062 C ARG A 73 -0.205 8.889 11.279 1.00 0.00 C ATOM 1063 O ARG A 73 -1.100 9.519 10.715 1.00 0.00 O ATOM 1064 CB ARG A 73 1.510 10.472 12.176 1.00 0.00 C ATOM 1065 CG ARG A 73 0.979 11.896 12.167 1.00 0.00 C ATOM 1066 CD ARG A 73 0.670 12.367 10.756 1.00 0.00 C ATOM 1067 NE ARG A 73 0.464 13.812 10.694 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.658 14.415 11.075 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -1.672 13.702 11.546 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -0.767 15.734 10.987 1.00 0.00 N ATOM 0 H ARG A 73 1.680 7.741 12.735 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.303 9.896 13.164 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.335 10.406 12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.916 10.239 11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.077 11.953 12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.713 12.562 12.621 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.490 12.089 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.222 11.858 10.391 1.00 0.00 H new ATOM 0 HE ARG A 73 1.224 14.391 10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.593 12.688 11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.531 14.168 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.011 16.287 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.628 16.195 11.280 1.00 0.00 H new ATOM 1084 N LEU A 74 0.238 7.711 10.851 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.328 7.060 9.678 1.00 0.00 C ATOM 1086 C LEU A 74 -1.669 6.436 10.016 1.00 0.00 C ATOM 1087 O LEU A 74 -2.453 6.111 9.132 1.00 0.00 O ATOM 1088 CB LEU A 74 0.611 5.972 9.170 1.00 0.00 C ATOM 1089 CG LEU A 74 1.391 6.326 7.915 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.791 5.747 8.001 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.664 5.825 6.679 1.00 0.00 C ATOM 0 H LEU A 74 0.989 7.188 11.301 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.463 7.815 8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.319 5.727 9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.027 5.073 8.974 1.00 0.00 H new ATOM 0 HG LEU A 74 1.471 7.410 7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.347 6.003 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.302 6.159 8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.731 4.663 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.236 6.087 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.555 4.742 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.322 6.286 6.625 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.898 6.242 11.308 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.120 5.618 11.799 1.00 0.00 C ATOM 1105 C PHE A 75 -4.370 6.171 11.097 1.00 0.00 C ATOM 1106 O PHE A 75 -5.137 5.408 10.501 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.216 5.809 13.317 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.838 4.653 14.052 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.729 3.359 13.567 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.500 4.860 15.251 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.285 2.298 14.255 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -5.061 3.803 15.942 1.00 0.00 C ATOM 1113 CZ PHE A 75 -4.956 2.520 15.442 1.00 0.00 C ATOM 0 H PHE A 75 -1.244 6.512 12.043 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.076 4.553 11.570 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.215 5.979 13.713 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.797 6.708 13.522 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.204 3.178 12.641 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.579 5.860 15.651 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.195 1.295 13.865 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.581 3.980 16.872 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.397 1.692 15.977 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.595 7.504 11.130 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.757 8.113 10.477 1.00 0.00 C ATOM 1125 C PRO A 76 -5.633 8.100 8.957 1.00 0.00 C ATOM 1126 O PRO A 76 -6.587 8.411 8.244 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.748 9.551 11.001 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.320 9.822 11.318 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.746 8.516 11.794 1.00 0.00 C ATOM 0 HA PRO A 76 -6.678 7.573 10.695 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.128 10.248 10.254 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.378 9.656 11.885 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.787 10.185 10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.230 10.591 12.085 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.699 8.410 11.510 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.792 8.429 12.880 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.454 7.728 8.470 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.199 7.682 7.036 1.00 0.00 C ATOM 1139 C LEU A 77 -4.369 6.268 6.485 1.00 0.00 C ATOM 1140 O LEU A 77 -4.645 6.093 5.298 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.796 8.211 6.732 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.603 9.704 7.011 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.193 10.140 6.652 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.626 10.528 6.244 1.00 0.00 C ATOM 0 H LEU A 77 -3.660 7.454 9.048 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.932 8.320 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.074 7.648 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.569 8.018 5.683 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.753 9.873 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.078 11.204 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.475 9.575 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.013 9.954 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.473 11.586 6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.508 10.351 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.631 10.238 6.552 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.215 5.259 7.342 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.417 3.878 6.916 1.00 0.00 C ATOM 1158 C ILE A 78 -5.890 3.645 6.642 1.00 0.00 C ATOM 1159 O ILE A 78 -6.256 2.932 5.709 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.955 2.855 7.961 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.555 3.195 8.480 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.990 1.452 7.368 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.444 2.901 7.495 1.00 0.00 C ATOM 0 H ILE A 78 -3.955 5.371 8.322 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.815 3.736 6.019 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.639 2.892 8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.523 4.252 8.743 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.372 2.633 9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.660 0.732 8.117 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.007 1.213 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.327 1.406 6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.485 3.169 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.446 1.839 7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.600 3.483 6.587 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.729 4.272 7.463 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.177 4.188 7.300 1.00 0.00 C ATOM 1177 C GLN A 79 -8.571 4.534 5.867 1.00 0.00 C ATOM 1178 O GLN A 79 -9.693 4.281 5.434 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.860 5.158 8.263 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.349 4.512 9.548 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.565 5.519 10.662 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -8.611 6.084 11.197 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.824 5.749 11.016 1.00 0.00 N ATOM 0 H GLN A 79 -6.429 4.846 8.251 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.495 3.169 7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.162 5.957 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.707 5.621 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.283 3.986 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.625 3.765 9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.584 5.258 10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.031 6.417 11.759 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.635 5.141 5.153 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.834 5.511 3.758 1.00 0.00 C ATOM 1194 C ALA A 80 -7.591 4.315 2.846 1.00 0.00 C ATOM 1195 O ALA A 80 -8.330 4.092 1.886 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.901 6.649 3.381 1.00 0.00 C ATOM 0 H ALA A 80 -6.718 5.391 5.522 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.866 5.840 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.058 6.917 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.107 7.513 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.867 6.334 3.523 1.00 0.00 H new ATOM 1202 N MET A 81 -6.534 3.562 3.143 1.00 0.00 N ATOM 1203 CA MET A 81 -6.196 2.377 2.362 1.00 0.00 C ATOM 1204 C MET A 81 -7.194 1.264 2.631 1.00 0.00 C ATOM 1205 O MET A 81 -7.448 0.413 1.778 1.00 0.00 O ATOM 1206 CB MET A 81 -4.793 1.873 2.729 1.00 0.00 C ATOM 1207 CG MET A 81 -3.794 2.973 3.048 1.00 0.00 C ATOM 1208 SD MET A 81 -2.722 2.547 4.429 1.00 0.00 S ATOM 1209 CE MET A 81 -1.199 2.167 3.570 1.00 0.00 C ATOM 0 H MET A 81 -5.898 3.752 3.918 1.00 0.00 H new ATOM 0 HA MET A 81 -6.224 2.653 1.308 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.872 1.210 3.591 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.407 1.277 1.902 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.184 3.173 2.167 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.332 3.893 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.381 2.110 4.288 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.299 1.210 3.058 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.988 2.949 2.840 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.720 1.263 3.845 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.600 0.209 4.308 1.00 0.00 C ATOM 1221 C HIS A 82 -9.929 0.758 4.803 1.00 0.00 C ATOM 1222 O HIS A 82 -10.006 1.907 5.220 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.894 -0.508 5.451 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.491 -0.891 5.118 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.488 -0.776 6.038 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.971 -1.339 3.952 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.385 -1.146 5.420 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.633 -1.520 4.161 1.00 0.00 N ATOM 0 H HIS A 82 -7.547 1.994 4.535 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.816 -0.467 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.890 0.136 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.457 -1.403 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.510 -1.519 3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.405 -1.147 5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.954 -1.873 3.486 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.988 -0.073 4.811 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.292 0.328 5.338 1.00 0.00 C ATOM 1238 C PRO A 83 -12.218 0.529 6.848 1.00 0.00 C ATOM 1239 O PRO A 83 -12.658 -0.324 7.618 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.217 -0.851 4.992 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.439 -1.710 4.049 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.991 -1.473 4.367 1.00 0.00 C ATOM 0 HA PRO A 83 -12.643 1.271 4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.496 -1.406 5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.141 -0.502 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.699 -2.761 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.658 -1.449 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.631 -2.146 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.354 -1.624 3.495 1.00 0.00 H new ATOM 1250 N THR A 84 -11.590 1.633 7.253 1.00 0.00 N ATOM 1251 CA THR A 84 -11.375 1.947 8.663 1.00 0.00 C ATOM 1252 C THR A 84 -10.882 0.718 9.433 1.00 0.00 C ATOM 1253 O THR A 84 -11.187 0.543 10.613 1.00 0.00 O ATOM 1254 CB THR A 84 -12.652 2.515 9.299 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.356 3.136 10.537 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.732 1.484 9.552 1.00 0.00 C ATOM 0 H THR A 84 -11.217 2.333 6.612 1.00 0.00 H new ATOM 0 HA THR A 84 -10.600 2.711 8.720 1.00 0.00 H new ATOM 0 HB THR A 84 -13.034 3.228 8.568 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.820 2.528 11.088 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.599 1.968 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.023 1.023 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.352 0.718 10.228 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.093 -0.115 8.756 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.554 -1.328 9.363 1.00 0.00 C ATOM 1266 C LEU A 85 -8.275 -1.038 10.140 1.00 0.00 C ATOM 1267 O LEU A 85 -7.644 -1.947 10.677 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.271 -2.374 8.284 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.171 -3.611 8.331 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.680 -3.953 6.939 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.423 -4.791 8.933 1.00 0.00 C ATOM 0 H LEU A 85 -9.813 0.029 7.786 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.299 -1.712 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.376 -1.903 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.233 -2.695 8.373 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.030 -3.389 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.318 -4.835 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.253 -3.114 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.834 -4.156 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.078 -5.662 8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.546 -5.014 8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.108 -4.543 9.947 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.895 0.235 10.188 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.696 0.655 10.902 1.00 0.00 C ATOM 1285 C ALA A 86 -6.939 0.691 12.405 1.00 0.00 C ATOM 1286 O ALA A 86 -6.839 1.743 13.034 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.239 2.017 10.404 1.00 0.00 C ATOM 0 H ALA A 86 -8.403 0.996 9.738 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.909 -0.074 10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.343 2.320 10.945 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.018 1.959 9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.029 2.749 10.571 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.274 -0.461 12.969 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.468 -0.555 14.400 1.00 0.00 C ATOM 1295 C GLY A 87 -6.188 -0.974 15.086 1.00 0.00 C ATOM 1296 O GLY A 87 -6.085 -0.945 16.313 1.00 0.00 O ATOM 0 H GLY A 87 -7.415 -1.333 12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.798 0.407 14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.256 -1.275 14.619 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.208 -1.352 14.271 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.907 -1.778 14.763 1.00 0.00 C ATOM 1302 C LYS A 88 -2.962 -2.068 13.598 1.00 0.00 C ATOM 1303 O LYS A 88 -2.104 -2.942 13.688 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.047 -3.027 15.642 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.753 -3.452 16.320 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.669 -4.963 16.462 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.742 -5.567 15.421 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.598 -7.040 15.591 1.00 0.00 N ATOM 0 H LYS A 88 -5.295 -1.371 13.255 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.490 -0.969 15.363 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.801 -2.839 16.406 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.412 -3.851 15.029 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.902 -3.092 15.741 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.688 -2.989 17.304 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.312 -5.217 17.460 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.664 -5.395 16.360 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.127 -5.353 14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.761 -5.096 15.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.455 -7.484 14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.780 -7.241 16.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.459 -7.425 16.030 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.136 -1.364 12.481 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.273 -1.587 11.335 1.00 0.00 C ATOM 1324 C ILE A 89 -0.933 -0.864 11.498 1.00 0.00 C ATOM 1325 O ILE A 89 0.013 -1.423 12.049 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.938 -1.176 10.015 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.227 -1.981 9.819 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.970 -1.416 8.868 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.163 -1.404 8.785 1.00 0.00 C ATOM 0 H ILE A 89 -3.853 -0.650 12.351 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.089 -2.661 11.293 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.193 -0.117 10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.966 -2.999 9.530 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.751 -2.045 10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.440 -1.125 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.069 -0.823 9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.706 -2.473 8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.050 -2.032 8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.456 -0.397 9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.659 -1.366 7.819 1.00 0.00 H new ATOM 1341 N THR A 90 -0.865 0.375 11.015 1.00 0.00 N ATOM 1342 CA THR A 90 0.353 1.181 11.104 1.00 0.00 C ATOM 1343 C THR A 90 0.897 1.198 12.526 1.00 0.00 C ATOM 1344 O THR A 90 2.106 1.109 12.739 1.00 0.00 O ATOM 1345 CB THR A 90 0.057 2.604 10.629 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.730 2.872 9.412 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.445 3.689 11.611 1.00 0.00 C ATOM 0 H THR A 90 -1.644 0.846 10.555 1.00 0.00 H new ATOM 0 HA THR A 90 1.114 0.736 10.464 1.00 0.00 H new ATOM 0 HB THR A 90 -1.026 2.633 10.512 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.543 3.388 9.594 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.199 4.664 11.191 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.101 3.547 12.544 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.516 3.637 11.806 1.00 0.00 H new ATOM 1355 N GLY A 91 0.002 1.348 13.497 1.00 0.00 N ATOM 1356 CA GLY A 91 0.421 1.354 14.881 1.00 0.00 C ATOM 1357 C GLY A 91 1.225 0.119 15.212 1.00 0.00 C ATOM 1358 O GLY A 91 2.162 0.167 16.010 1.00 0.00 O ATOM 0 H GLY A 91 -1.000 1.465 13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.018 2.244 15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.454 1.406 15.529 1.00 0.00 H new ATOM 1362 N MET A 92 0.884 -0.984 14.557 1.00 0.00 N ATOM 1363 CA MET A 92 1.579 -2.234 14.761 1.00 0.00 C ATOM 1364 C MET A 92 2.816 -2.303 13.879 1.00 0.00 C ATOM 1365 O MET A 92 3.753 -3.044 14.166 1.00 0.00 O ATOM 1366 CB MET A 92 0.628 -3.388 14.465 1.00 0.00 C ATOM 1367 CG MET A 92 1.211 -4.483 13.608 1.00 0.00 C ATOM 1368 SD MET A 92 0.521 -4.498 11.947 1.00 0.00 S ATOM 1369 CE MET A 92 -0.578 -5.906 12.065 1.00 0.00 C ATOM 0 H MET A 92 0.125 -1.031 13.878 1.00 0.00 H new ATOM 0 HA MET A 92 1.909 -2.305 15.797 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.299 -3.821 15.410 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.259 -2.992 13.970 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.292 -4.356 13.548 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.029 -5.447 14.082 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.233 -6.694 11.395 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.584 -6.278 13.090 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.587 -5.605 11.782 1.00 0.00 H new ATOM 1379 N LEU A 93 2.819 -1.504 12.819 1.00 0.00 N ATOM 1380 CA LEU A 93 3.960 -1.439 11.919 1.00 0.00 C ATOM 1381 C LEU A 93 5.190 -0.958 12.674 1.00 0.00 C ATOM 1382 O LEU A 93 6.297 -0.933 12.139 1.00 0.00 O ATOM 1383 CB LEU A 93 3.661 -0.508 10.751 1.00 0.00 C ATOM 1384 CG LEU A 93 3.089 -1.185 9.501 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.130 -2.089 8.858 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.837 -1.973 9.845 1.00 0.00 C ATOM 0 H LEU A 93 2.044 -0.893 12.563 1.00 0.00 H new ATOM 0 HA LEU A 93 4.155 -2.437 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.956 0.253 11.086 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.580 0.008 10.475 1.00 0.00 H new ATOM 0 HG LEU A 93 2.819 -0.409 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.705 -2.561 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.999 -1.497 8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.433 -2.858 9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.446 -2.446 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.080 -2.739 10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.085 -1.300 10.257 1.00 0.00 H new ATOM 1398 N LEU A 94 4.977 -0.571 13.925 1.00 0.00 N ATOM 1399 CA LEU A 94 6.062 -0.156 14.792 1.00 0.00 C ATOM 1400 C LEU A 94 6.354 -1.269 15.790 1.00 0.00 C ATOM 1401 O LEU A 94 6.844 -1.024 16.893 1.00 0.00 O ATOM 1402 CB LEU A 94 5.681 1.130 15.527 1.00 0.00 C ATOM 1403 CG LEU A 94 6.281 2.419 14.957 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.120 2.471 13.441 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.629 3.626 15.613 1.00 0.00 C ATOM 0 H LEU A 94 4.055 -0.537 14.360 1.00 0.00 H new ATOM 0 HA LEU A 94 6.954 0.039 14.197 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.595 1.222 15.522 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.988 1.037 16.569 1.00 0.00 H new ATOM 0 HG LEU A 94 7.349 2.435 15.176 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.554 3.396 13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.630 1.619 12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.061 2.436 13.186 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.060 4.540 15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.557 3.611 15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.802 3.593 16.689 1.00 0.00 H new ATOM 1417 N GLU A 95 6.004 -2.494 15.398 1.00 0.00 N ATOM 1418 CA GLU A 95 6.186 -3.659 16.256 1.00 0.00 C ATOM 1419 C GLU A 95 6.040 -4.965 15.470 1.00 0.00 C ATOM 1420 O GLU A 95 6.194 -6.047 16.035 1.00 0.00 O ATOM 1421 CB GLU A 95 5.174 -3.630 17.406 1.00 0.00 C ATOM 1422 CG GLU A 95 3.771 -4.055 16.999 1.00 0.00 C ATOM 1423 CD GLU A 95 2.902 -4.414 18.188 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.860 -3.623 19.154 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.263 -5.487 18.154 1.00 0.00 O ATOM 0 H GLU A 95 5.592 -2.703 14.489 1.00 0.00 H new ATOM 0 HA GLU A 95 7.198 -3.619 16.659 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.525 -4.285 18.203 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.133 -2.621 17.817 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.299 -3.247 16.439 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.835 -4.912 16.329 1.00 0.00 H new ATOM 1432 N ILE A 96 5.792 -4.863 14.162 1.00 0.00 N ATOM 1433 CA ILE A 96 5.627 -6.059 13.325 1.00 0.00 C ATOM 1434 C ILE A 96 6.896 -6.910 13.289 1.00 0.00 C ATOM 1435 O ILE A 96 7.725 -6.868 14.198 1.00 0.00 O ATOM 1436 CB ILE A 96 5.277 -5.717 11.857 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.437 -4.992 11.167 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.000 -4.908 11.757 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.808 -3.672 11.794 1.00 0.00 C ATOM 0 H ILE A 96 5.702 -3.978 13.663 1.00 0.00 H new ATOM 0 HA ILE A 96 4.806 -6.607 13.786 1.00 0.00 H new ATOM 0 HB ILE A 96 5.108 -6.661 11.338 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.312 -5.642 11.174 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.174 -4.823 10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.789 -4.689 10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.174 -5.478 12.182 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.117 -3.974 12.307 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.637 -3.228 11.243 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.950 -3.000 11.762 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.105 -3.832 12.830 1.00 0.00 H new ATOM 1451 N ASP A 97 7.046 -7.653 12.194 1.00 0.00 N ATOM 1452 CA ASP A 97 8.210 -8.493 11.963 1.00 0.00 C ATOM 1453 C ASP A 97 9.494 -7.668 11.964 1.00 0.00 C ATOM 1454 O ASP A 97 10.588 -8.215 11.832 1.00 0.00 O ATOM 1455 CB ASP A 97 8.050 -9.202 10.619 1.00 0.00 C ATOM 1456 CG ASP A 97 8.787 -10.526 10.566 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.209 -11.545 11.003 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.941 -10.545 10.090 1.00 0.00 O ATOM 0 H ASP A 97 6.358 -7.686 11.441 1.00 0.00 H new ATOM 0 HA ASP A 97 8.282 -9.224 12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.991 -9.372 10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.418 -8.553 9.824 1.00 0.00 H new ATOM 1463 N ASN A 98 9.337 -6.347 12.088 1.00 0.00 N ATOM 1464 CA ASN A 98 10.457 -5.407 12.104 1.00 0.00 C ATOM 1465 C ASN A 98 10.956 -5.124 10.696 1.00 0.00 C ATOM 1466 O ASN A 98 11.381 -4.011 10.389 1.00 0.00 O ATOM 1467 CB ASN A 98 11.604 -5.919 12.980 1.00 0.00 C ATOM 1468 CG ASN A 98 12.864 -6.227 12.190 1.00 0.00 C ATOM 1469 OD1 ASN A 98 13.759 -5.251 12.101 1.00 0.00 O flip ATOM 1470 ND2 ASN A 98 13.030 -7.329 11.669 1.00 0.00 N flip ATOM 0 H ASN A 98 8.425 -5.900 12.180 1.00 0.00 H new ATOM 0 HA ASN A 98 10.090 -4.475 12.534 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.833 -5.173 13.741 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.281 -6.819 13.502 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.315 -8.050 11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.883 -7.521 11.143 1.00 0.00 H new ATOM 1477 N SER A 99 10.908 -6.137 9.851 1.00 0.00 N ATOM 1478 CA SER A 99 11.333 -5.986 8.466 1.00 0.00 C ATOM 1479 C SER A 99 10.392 -5.038 7.739 1.00 0.00 C ATOM 1480 O SER A 99 10.782 -4.363 6.787 1.00 0.00 O ATOM 1481 CB SER A 99 11.376 -7.338 7.758 1.00 0.00 C ATOM 1482 OG SER A 99 11.855 -8.352 8.623 1.00 0.00 O ATOM 0 H SER A 99 10.581 -7.072 10.095 1.00 0.00 H new ATOM 0 HA SER A 99 12.340 -5.569 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.378 -7.599 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.018 -7.272 6.880 1.00 0.00 H new ATOM 0 HG SER A 99 11.106 -8.909 8.921 1.00 0.00 H new ATOM 1488 N GLU A 100 9.155 -4.979 8.220 1.00 0.00 N ATOM 1489 CA GLU A 100 8.158 -4.075 7.667 1.00 0.00 C ATOM 1490 C GLU A 100 8.326 -2.695 8.284 1.00 0.00 C ATOM 1491 O GLU A 100 7.972 -1.685 7.680 1.00 0.00 O ATOM 1492 CB GLU A 100 6.753 -4.615 7.918 1.00 0.00 C ATOM 1493 CG GLU A 100 6.689 -6.133 7.956 1.00 0.00 C ATOM 1494 CD GLU A 100 5.519 -6.692 7.170 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.577 -5.925 6.881 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.544 -7.898 6.845 1.00 0.00 O ATOM 0 H GLU A 100 8.819 -5.550 8.996 1.00 0.00 H new ATOM 0 HA GLU A 100 8.300 -3.998 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.383 -4.219 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.086 -4.250 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.617 -6.541 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.616 -6.463 8.992 1.00 0.00 H new ATOM 1503 N LEU A 101 8.907 -2.665 9.480 1.00 0.00 N ATOM 1504 CA LEU A 101 9.201 -1.413 10.161 1.00 0.00 C ATOM 1505 C LEU A 101 10.403 -0.747 9.506 1.00 0.00 C ATOM 1506 O LEU A 101 10.558 0.473 9.551 1.00 0.00 O ATOM 1507 CB LEU A 101 9.488 -1.665 11.648 1.00 0.00 C ATOM 1508 CG LEU A 101 9.724 -0.418 12.516 1.00 0.00 C ATOM 1509 CD1 LEU A 101 11.195 -0.035 12.510 1.00 0.00 C ATOM 1510 CD2 LEU A 101 8.863 0.750 12.052 1.00 0.00 C ATOM 0 H LEU A 101 9.184 -3.499 9.998 1.00 0.00 H new ATOM 0 HA LEU A 101 8.335 -0.756 10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.651 -2.221 12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.367 -2.306 11.723 1.00 0.00 H new ATOM 0 HG LEU A 101 9.432 -0.661 13.538 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.343 0.850 13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.787 -0.859 12.907 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.511 0.180 11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.053 1.616 12.686 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.109 0.995 11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.810 0.475 12.119 1.00 0.00 H new ATOM 1522 N LEU A 102 11.248 -1.567 8.895 1.00 0.00 N ATOM 1523 CA LEU A 102 12.454 -1.081 8.235 1.00 0.00 C ATOM 1524 C LEU A 102 12.183 -0.712 6.783 1.00 0.00 C ATOM 1525 O LEU A 102 12.623 0.334 6.305 1.00 0.00 O ATOM 1526 CB LEU A 102 13.548 -2.148 8.293 1.00 0.00 C ATOM 1527 CG LEU A 102 14.586 -1.953 9.400 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.985 -2.274 10.759 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.810 -2.819 9.140 1.00 0.00 C ATOM 0 H LEU A 102 11.120 -2.578 8.842 1.00 0.00 H new ATOM 0 HA LEU A 102 12.783 -0.185 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.077 -3.122 8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.063 -2.171 7.333 1.00 0.00 H new ATOM 0 HG LEU A 102 14.896 -0.908 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.738 -2.129 11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.139 -1.613 10.948 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.646 -3.310 10.771 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.538 -2.668 9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.514 -3.868 9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.255 -2.542 8.184 1.00 0.00 H new ATOM 1541 N HIS A 103 11.479 -1.589 6.077 1.00 0.00 N ATOM 1542 CA HIS A 103 11.190 -1.380 4.669 1.00 0.00 C ATOM 1543 C HIS A 103 10.234 -0.207 4.458 1.00 0.00 C ATOM 1544 O HIS A 103 10.360 0.532 3.484 1.00 0.00 O ATOM 1545 CB HIS A 103 10.604 -2.657 4.069 1.00 0.00 C ATOM 1546 CG HIS A 103 11.226 -3.047 2.764 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.585 -2.103 1.832 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.526 -4.280 2.285 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.093 -2.775 0.814 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.077 -4.096 1.044 1.00 0.00 N ATOM 0 H HIS A 103 11.098 -2.454 6.461 1.00 0.00 H new ATOM 0 HA HIS A 103 12.124 -1.136 4.163 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.730 -3.473 4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.532 -2.522 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.362 -5.223 2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.473 -2.319 -0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.412 -4.826 0.415 1.00 0.00 H new ATOM 1558 N MET A 104 9.279 -0.042 5.370 1.00 0.00 N ATOM 1559 CA MET A 104 8.312 1.048 5.271 1.00 0.00 C ATOM 1560 C MET A 104 9.011 2.401 5.308 1.00 0.00 C ATOM 1561 O MET A 104 8.554 3.360 4.692 1.00 0.00 O ATOM 1562 CB MET A 104 7.311 0.979 6.420 1.00 0.00 C ATOM 1563 CG MET A 104 7.946 1.278 7.758 1.00 0.00 C ATOM 1564 SD MET A 104 6.909 0.793 9.149 1.00 0.00 S ATOM 1565 CE MET A 104 5.287 1.209 8.513 1.00 0.00 C ATOM 0 H MET A 104 9.154 -0.646 6.182 1.00 0.00 H new ATOM 0 HA MET A 104 7.789 0.939 4.321 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.504 1.688 6.238 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.862 -0.014 6.448 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.902 0.758 7.825 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.158 2.345 7.824 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.561 1.188 9.326 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.313 2.207 8.075 1.00 0.00 H new ATOM 0 HE3 MET A 104 4.999 0.485 7.750 1.00 0.00 H new ATOM 1575 N LEU A 105 10.089 2.482 6.084 1.00 0.00 N ATOM 1576 CA LEU A 105 10.836 3.724 6.230 1.00 0.00 C ATOM 1577 C LEU A 105 11.839 3.886 5.101 1.00 0.00 C ATOM 1578 O LEU A 105 12.397 4.966 4.903 1.00 0.00 O ATOM 1579 CB LEU A 105 11.575 3.751 7.569 1.00 0.00 C ATOM 1580 CG LEU A 105 10.734 3.370 8.789 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.607 3.292 10.032 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.607 4.367 8.991 1.00 0.00 C ATOM 0 H LEU A 105 10.463 1.700 6.621 1.00 0.00 H new ATOM 0 HA LEU A 105 10.123 4.548 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.426 3.073 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.976 4.753 7.724 1.00 0.00 H new ATOM 0 HG LEU A 105 10.296 2.388 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.994 3.020 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.381 2.539 9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.073 4.261 10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.019 4.080 9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.025 5.362 9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.967 4.376 8.109 1.00 0.00 H new ATOM 1594 N GLU A 106 12.075 2.804 4.371 1.00 0.00 N ATOM 1595 CA GLU A 106 13.049 2.821 3.295 1.00 0.00 C ATOM 1596 C GLU A 106 12.380 2.814 1.923 1.00 0.00 C ATOM 1597 O GLU A 106 13.043 3.015 0.906 1.00 0.00 O ATOM 1598 CB GLU A 106 13.997 1.621 3.430 1.00 0.00 C ATOM 1599 CG GLU A 106 13.595 0.411 2.598 1.00 0.00 C ATOM 1600 CD GLU A 106 14.561 0.138 1.462 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.076 1.112 0.872 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.804 -1.051 1.161 1.00 0.00 O ATOM 0 H GLU A 106 11.606 1.908 4.506 1.00 0.00 H new ATOM 0 HA GLU A 106 13.619 3.746 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.001 1.931 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.046 1.327 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.540 -0.466 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.597 0.570 2.191 1.00 0.00 H new ATOM 1609 N SER A 107 11.072 2.575 1.890 1.00 0.00 N ATOM 1610 CA SER A 107 10.356 2.521 0.617 1.00 0.00 C ATOM 1611 C SER A 107 8.991 3.205 0.699 1.00 0.00 C ATOM 1612 O SER A 107 8.209 2.943 1.614 1.00 0.00 O ATOM 1613 CB SER A 107 10.182 1.068 0.171 1.00 0.00 C ATOM 1614 OG SER A 107 10.153 0.967 -1.241 1.00 0.00 O ATOM 0 H SER A 107 10.493 2.418 2.715 1.00 0.00 H new ATOM 0 HA SER A 107 10.955 3.061 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.999 0.463 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.258 0.665 0.586 1.00 0.00 H new ATOM 0 HG SER A 107 10.043 0.028 -1.500 1.00 0.00 H new ATOM 1620 N PRO A 108 8.678 4.079 -0.280 1.00 0.00 N ATOM 1621 CA PRO A 108 7.398 4.792 -0.334 1.00 0.00 C ATOM 1622 C PRO A 108 6.252 3.872 -0.746 1.00 0.00 C ATOM 1623 O PRO A 108 5.133 4.323 -0.989 1.00 0.00 O ATOM 1624 CB PRO A 108 7.619 5.877 -1.401 1.00 0.00 C ATOM 1625 CG PRO A 108 9.076 5.836 -1.732 1.00 0.00 C ATOM 1626 CD PRO A 108 9.539 4.446 -1.409 1.00 0.00 C ATOM 0 HA PRO A 108 7.119 5.195 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.012 5.684 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.331 6.859 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.243 6.067 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.628 6.575 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.411 3.769 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.595 4.422 -1.139 1.00 0.00 H new ATOM 1634 N GLU A 109 6.549 2.581 -0.827 1.00 0.00 N ATOM 1635 CA GLU A 109 5.561 1.581 -1.207 1.00 0.00 C ATOM 1636 C GLU A 109 5.522 0.463 -0.179 1.00 0.00 C ATOM 1637 O GLU A 109 4.493 -0.180 0.008 1.00 0.00 O ATOM 1638 CB GLU A 109 5.898 1.021 -2.590 1.00 0.00 C ATOM 1639 CG GLU A 109 5.609 -0.464 -2.755 1.00 0.00 C ATOM 1640 CD GLU A 109 5.799 -0.940 -4.182 1.00 0.00 C ATOM 1641 OE1 GLU A 109 5.045 -0.481 -5.066 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.701 -1.770 -4.416 1.00 0.00 O ATOM 0 H GLU A 109 7.475 2.200 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 109 4.577 2.049 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.333 1.574 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.954 1.198 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.264 -1.033 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.585 -0.668 -2.441 1.00 0.00 H new ATOM 1649 N SER A 110 6.645 0.241 0.492 1.00 0.00 N ATOM 1650 CA SER A 110 6.709 -0.791 1.509 1.00 0.00 C ATOM 1651 C SER A 110 5.763 -0.456 2.642 1.00 0.00 C ATOM 1652 O SER A 110 4.947 -1.276 3.041 1.00 0.00 O ATOM 1653 CB SER A 110 8.126 -0.942 2.051 1.00 0.00 C ATOM 1654 OG SER A 110 8.728 -2.127 1.566 1.00 0.00 O ATOM 0 H SER A 110 7.513 0.757 0.350 1.00 0.00 H new ATOM 0 HA SER A 110 6.414 -1.736 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.725 -0.079 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.103 -0.961 3.141 1.00 0.00 H new ATOM 0 HG SER A 110 9.664 -1.948 1.336 1.00 0.00 H new ATOM 1660 N LEU A 111 5.846 0.771 3.125 1.00 0.00 N ATOM 1661 CA LEU A 111 4.979 1.216 4.199 1.00 0.00 C ATOM 1662 C LEU A 111 3.521 0.912 3.894 1.00 0.00 C ATOM 1663 O LEU A 111 2.733 0.647 4.798 1.00 0.00 O ATOM 1664 CB LEU A 111 5.147 2.711 4.431 1.00 0.00 C ATOM 1665 CG LEU A 111 4.390 3.244 5.641 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.257 4.218 6.414 1.00 0.00 C ATOM 1667 CD2 LEU A 111 3.081 3.892 5.210 1.00 0.00 C ATOM 0 H LEU A 111 6.504 1.475 2.791 1.00 0.00 H new ATOM 0 HA LEU A 111 5.265 0.673 5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.207 2.931 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.811 3.245 3.542 1.00 0.00 H new ATOM 0 HG LEU A 111 4.147 2.410 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.705 4.592 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.160 3.711 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.531 5.053 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.554 4.267 6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.291 4.719 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.460 3.154 4.702 1.00 0.00 H new ATOM 1679 N ARG A 112 3.163 0.963 2.617 1.00 0.00 N ATOM 1680 CA ARG A 112 1.790 0.722 2.204 1.00 0.00 C ATOM 1681 C ARG A 112 1.520 -0.771 2.010 1.00 0.00 C ATOM 1682 O ARG A 112 0.646 -1.337 2.661 1.00 0.00 O ATOM 1683 CB ARG A 112 1.491 1.503 0.922 1.00 0.00 C ATOM 1684 CG ARG A 112 0.609 0.763 -0.067 1.00 0.00 C ATOM 1685 CD ARG A 112 0.104 1.686 -1.163 1.00 0.00 C ATOM 1686 NE ARG A 112 0.103 3.087 -0.747 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.004 3.796 -0.541 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.195 3.240 -0.715 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -0.918 5.064 -0.163 1.00 0.00 N ATOM 0 H ARG A 112 3.805 1.169 1.852 1.00 0.00 H new ATOM 0 HA ARG A 112 1.125 1.071 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.009 2.444 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.433 1.753 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.170 -0.059 -0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.239 0.323 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.729 1.572 -2.049 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.907 1.392 -1.446 1.00 0.00 H new ATOM 0 HE ARG A 112 1.002 3.548 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.265 2.265 -1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.041 3.787 -0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.003 5.496 -0.030 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.766 5.608 -0.005 1.00 0.00 H new ATOM 1703 N SER A 113 2.270 -1.399 1.109 1.00 0.00 N ATOM 1704 CA SER A 113 2.097 -2.819 0.821 1.00 0.00 C ATOM 1705 C SER A 113 2.262 -3.661 2.082 1.00 0.00 C ATOM 1706 O SER A 113 1.613 -4.696 2.239 1.00 0.00 O ATOM 1707 CB SER A 113 3.103 -3.270 -0.241 1.00 0.00 C ATOM 1708 OG SER A 113 3.027 -4.670 -0.455 1.00 0.00 O ATOM 0 H SER A 113 3.004 -0.946 0.565 1.00 0.00 H new ATOM 0 HA SER A 113 1.085 -2.964 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.909 -2.745 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.112 -3.001 0.072 1.00 0.00 H new ATOM 0 HG SER A 113 3.678 -4.932 -1.139 1.00 0.00 H new ATOM 1714 N LYS A 114 3.148 -3.221 2.969 1.00 0.00 N ATOM 1715 CA LYS A 114 3.388 -3.926 4.223 1.00 0.00 C ATOM 1716 C LYS A 114 2.290 -3.612 5.224 1.00 0.00 C ATOM 1717 O LYS A 114 1.977 -4.429 6.088 1.00 0.00 O ATOM 1718 CB LYS A 114 4.750 -3.554 4.809 1.00 0.00 C ATOM 1719 CG LYS A 114 5.913 -3.907 3.900 1.00 0.00 C ATOM 1720 CD LYS A 114 6.251 -5.387 3.973 1.00 0.00 C ATOM 1721 CE LYS A 114 7.063 -5.835 2.769 1.00 0.00 C ATOM 1722 NZ LYS A 114 8.114 -6.820 3.143 1.00 0.00 N ATOM 0 H LYS A 114 3.711 -2.380 2.843 1.00 0.00 H new ATOM 0 HA LYS A 114 3.384 -4.996 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.770 -2.483 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.878 -4.063 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.666 -3.640 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.787 -3.319 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.811 -5.588 4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.331 -5.969 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.398 -6.278 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.529 -4.967 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.645 -7.100 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.764 -6.390 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.668 -7.660 3.565 1.00 0.00 H new ATOM 1736 N VAL A 115 1.709 -2.420 5.109 1.00 0.00 N ATOM 1737 CA VAL A 115 0.616 -2.033 5.990 1.00 0.00 C ATOM 1738 C VAL A 115 -0.628 -2.845 5.639 1.00 0.00 C ATOM 1739 O VAL A 115 -1.179 -3.541 6.489 1.00 0.00 O ATOM 1740 CB VAL A 115 0.324 -0.511 5.929 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.172 -0.224 5.864 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.937 0.188 7.130 1.00 0.00 C ATOM 0 H VAL A 115 1.975 -1.714 4.422 1.00 0.00 H new ATOM 0 HA VAL A 115 0.913 -2.249 7.016 1.00 0.00 H new ATOM 0 HB VAL A 115 0.776 -0.125 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.334 0.853 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.593 -0.689 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.659 -0.630 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.726 1.256 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.510 -0.221 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.016 0.031 7.131 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.008 -2.820 4.361 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.154 -3.585 3.882 1.00 0.00 C ATOM 1754 C ASP A 116 -1.987 -5.071 4.193 1.00 0.00 C ATOM 1755 O ASP A 116 -2.958 -5.767 4.501 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.329 -3.383 2.375 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.534 -4.121 1.827 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.564 -4.183 2.532 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -3.450 -4.636 0.693 1.00 0.00 O ATOM 0 H ASP A 116 -0.536 -2.276 3.639 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.044 -3.224 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.432 -2.319 2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.432 -3.725 1.859 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.751 -5.554 4.106 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.458 -6.950 4.403 1.00 0.00 C ATOM 1766 C GLU A 117 -0.477 -7.174 5.905 1.00 0.00 C ATOM 1767 O GLU A 117 -0.905 -8.225 6.382 1.00 0.00 O ATOM 1768 CB GLU A 117 0.903 -7.347 3.826 1.00 0.00 C ATOM 1769 CG GLU A 117 0.850 -7.824 2.379 1.00 0.00 C ATOM 1770 CD GLU A 117 -0.427 -7.422 1.665 1.00 0.00 C ATOM 1771 OE1 GLU A 117 -0.542 -6.242 1.272 1.00 0.00 O ATOM 1772 OE2 GLU A 117 -1.312 -8.288 1.498 1.00 0.00 O ATOM 0 H GLU A 117 0.061 -5.000 3.833 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.223 -7.574 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.577 -6.493 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.330 -8.138 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.705 -7.418 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.945 -8.910 2.357 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.034 -6.166 6.647 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.060 -6.231 8.097 1.00 0.00 C ATOM 1781 C ALA A 118 -1.498 -6.319 8.573 1.00 0.00 C ATOM 1782 O ALA A 118 -1.785 -6.926 9.600 1.00 0.00 O ATOM 1783 CB ALA A 118 0.633 -5.026 8.707 1.00 0.00 C ATOM 0 H ALA A 118 0.345 -5.299 6.267 1.00 0.00 H new ATOM 0 HA ALA A 118 0.480 -7.121 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.600 -5.099 9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.671 -4.998 8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.126 -4.115 8.389 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.401 -5.728 7.796 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.822 -5.784 8.092 1.00 0.00 C ATOM 1791 C VAL A 119 -4.261 -7.220 8.217 1.00 0.00 C ATOM 1792 O VAL A 119 -4.786 -7.637 9.242 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.645 -5.137 6.982 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.107 -5.040 7.371 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.087 -3.782 6.671 1.00 0.00 C ATOM 0 H VAL A 119 -2.168 -5.203 6.953 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.984 -5.245 9.025 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.585 -5.762 6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.669 -4.575 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.501 -6.039 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.204 -4.436 8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.675 -3.320 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.128 -3.158 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.052 -3.881 6.345 1.00 0.00 H new ATOM 1805 N ALA A 120 -4.021 -7.966 7.151 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.350 -9.375 7.110 1.00 0.00 C ATOM 1807 C ALA A 120 -3.759 -10.094 8.316 1.00 0.00 C ATOM 1808 O ALA A 120 -4.258 -11.133 8.747 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.829 -9.972 5.820 1.00 0.00 C ATOM 0 H ALA A 120 -3.595 -7.611 6.295 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.433 -9.496 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.075 -11.033 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.290 -9.465 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.747 -9.848 5.773 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.701 -9.509 8.861 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.029 -10.051 10.027 1.00 0.00 C ATOM 1817 C VAL A 121 -2.685 -9.548 11.311 1.00 0.00 C ATOM 1818 O VAL A 121 -2.721 -10.251 12.322 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.537 -9.665 10.006 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.083 -9.784 11.385 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.210 -10.520 8.997 1.00 0.00 C ATOM 0 H VAL A 121 -2.287 -8.647 8.506 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.115 -11.137 10.000 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.458 -8.621 9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.136 -9.505 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.437 -9.120 12.076 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.004 -10.813 11.735 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.263 -10.239 8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.117 -11.571 9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.213 -10.365 8.005 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.210 -8.329 11.255 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.888 -7.727 12.396 1.00 0.00 C ATOM 1833 C LEU A 122 -5.231 -8.411 12.622 1.00 0.00 C ATOM 1834 O LEU A 122 -5.605 -8.718 13.754 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.076 -6.220 12.161 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.525 -5.722 12.105 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.852 -4.894 13.336 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.762 -4.914 10.840 1.00 0.00 C ATOM 0 H LEU A 122 -3.178 -7.736 10.426 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.278 -7.862 13.289 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.559 -5.682 12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.586 -5.955 11.224 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.186 -6.588 12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.884 -4.549 13.279 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.722 -5.504 14.230 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.184 -4.034 13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.796 -4.569 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.092 -4.054 10.826 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.569 -5.539 9.968 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.944 -8.655 11.528 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.234 -9.323 11.582 1.00 0.00 C ATOM 1852 C GLN A 123 -7.057 -10.766 12.025 1.00 0.00 C ATOM 1853 O GLN A 123 -7.914 -11.335 12.698 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.915 -9.271 10.210 1.00 0.00 C ATOM 1855 CG GLN A 123 -6.973 -9.495 9.042 1.00 0.00 C ATOM 1856 CD GLN A 123 -7.349 -10.705 8.211 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -7.379 -11.871 8.844 1.00 0.00 O flip ATOM 1858 NE2 GLN A 123 -7.611 -10.593 7.013 1.00 0.00 N flip ATOM 0 H GLN A 123 -5.645 -8.397 10.588 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.866 -8.808 12.306 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -8.702 -10.025 10.178 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.398 -8.301 10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -6.972 -8.609 8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.958 -9.619 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -7.576 -9.677 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -7.864 -11.417 6.467 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.915 -11.334 11.662 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.581 -12.709 12.020 1.00 0.00 C ATOM 1869 C ALA A 124 -5.029 -12.791 13.440 1.00 0.00 C ATOM 1870 O ALA A 124 -4.891 -13.880 13.998 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.569 -13.272 11.034 1.00 0.00 C ATOM 0 H ALA A 124 -5.197 -10.860 11.114 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.495 -13.302 11.977 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.325 -14.298 11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.992 -13.256 10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.663 -12.666 11.056 1.00 0.00 H new