USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 130 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 Single : A 60 CYS SG : rot 180:sc= -0.244 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.3! USER MOD Single : A 65 THR OG1 : rot -60:sc= 0.654 USER MOD Single : A 68 CYS SG : rot 180:sc= -1.44 USER MOD Single : A 73 CYS SG : rot 41:sc= 0.617 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 88.104 5.882 -2.843 1.00 1.00 N ATOM 878 CA GLY A 59 87.162 6.604 -3.742 1.00 1.00 C ATOM 879 C GLY A 59 85.914 5.750 -3.969 1.00 1.00 C ATOM 880 O GLY A 59 85.777 4.675 -3.420 1.00 1.00 O ATOM 0 HA2 GLY A 59 86.885 7.562 -3.301 1.00 1.00 H new ATOM 0 HA3 GLY A 59 87.646 6.820 -4.695 1.00 1.00 H new ATOM 884 N CYS A 60 85.001 6.219 -4.775 1.00 1.00 N ATOM 885 CA CYS A 60 83.763 5.432 -5.037 1.00 1.00 C ATOM 886 C CYS A 60 82.976 6.085 -6.175 1.00 1.00 C ATOM 887 O CYS A 60 81.850 5.723 -6.452 1.00 1.00 O ATOM 888 CB CYS A 60 82.904 5.397 -3.769 1.00 1.00 C ATOM 889 SG CYS A 60 83.141 6.931 -2.838 1.00 1.00 S ATOM 0 H CYS A 60 85.059 7.113 -5.263 1.00 1.00 H new ATOM 0 HA CYS A 60 84.030 4.414 -5.321 1.00 1.00 H new ATOM 0 HB2 CYS A 60 81.853 5.277 -4.032 1.00 1.00 H new ATOM 0 HB3 CYS A 60 83.179 4.540 -3.154 1.00 1.00 H new ATOM 0 HG CYS A 60 82.411 6.903 -1.763 1.00 1.00 H new ATOM 894 N GLY A 61 83.560 7.047 -6.838 1.00 1.00 N ATOM 895 CA GLY A 61 82.846 7.720 -7.957 1.00 1.00 C ATOM 896 C GLY A 61 81.462 8.156 -7.486 1.00 1.00 C ATOM 897 O GLY A 61 81.323 8.894 -6.531 1.00 1.00 O ATOM 0 H GLY A 61 84.501 7.395 -6.652 1.00 1.00 H new ATOM 0 HA2 GLY A 61 83.415 8.585 -8.298 1.00 1.00 H new ATOM 0 HA3 GLY A 61 82.756 7.042 -8.806 1.00 1.00 H new ATOM 901 N THR A 62 80.435 7.706 -8.150 1.00 1.00 N ATOM 902 CA THR A 62 79.055 8.091 -7.746 1.00 1.00 C ATOM 903 C THR A 62 78.107 6.918 -8.007 1.00 1.00 C ATOM 904 O THR A 62 78.267 5.846 -7.458 1.00 1.00 O ATOM 905 CB THR A 62 78.616 9.311 -8.560 1.00 1.00 C ATOM 906 OG1 THR A 62 78.264 8.900 -9.873 1.00 1.00 O ATOM 907 CG2 THR A 62 79.763 10.321 -8.629 1.00 1.00 C ATOM 0 H THR A 62 80.492 7.086 -8.958 1.00 1.00 H new ATOM 0 HA THR A 62 79.032 8.340 -6.685 1.00 1.00 H new ATOM 0 HB THR A 62 77.754 9.777 -8.082 1.00 1.00 H new ATOM 0 HG1 THR A 62 77.981 9.680 -10.395 1.00 1.00 H new ATOM 0 HG21 THR A 62 79.449 11.189 -9.209 1.00 1.00 H new ATOM 0 HG22 THR A 62 80.032 10.636 -7.621 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.627 9.859 -9.107 1.00 1.00 H new ATOM 915 N ASP A 63 77.122 7.109 -8.840 1.00 1.00 N ATOM 916 CA ASP A 63 76.168 6.002 -9.132 1.00 1.00 C ATOM 917 C ASP A 63 76.865 4.919 -9.962 1.00 1.00 C ATOM 918 O ASP A 63 76.255 4.280 -10.797 1.00 1.00 O ATOM 919 CB ASP A 63 74.974 6.550 -9.916 1.00 1.00 C ATOM 920 CG ASP A 63 74.190 7.527 -9.038 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.599 7.080 -8.069 1.00 1.00 O ATOM 922 OD2 ASP A 63 74.194 8.707 -9.350 1.00 1.00 O ATOM 0 H ASP A 63 76.936 7.983 -9.331 1.00 1.00 H new ATOM 0 HA ASP A 63 75.823 5.570 -8.192 1.00 1.00 H new ATOM 0 HB2 ASP A 63 75.319 7.053 -10.819 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.328 5.732 -10.234 1.00 1.00 H new ATOM 927 N ILE A 64 78.135 4.703 -9.745 1.00 1.00 N ATOM 928 CA ILE A 64 78.855 3.657 -10.532 1.00 1.00 C ATOM 929 C ILE A 64 79.952 3.030 -9.674 1.00 1.00 C ATOM 930 O ILE A 64 80.143 1.831 -9.688 1.00 1.00 O ATOM 931 CB ILE A 64 79.468 4.284 -11.803 1.00 1.00 C ATOM 932 CG1 ILE A 64 80.959 3.946 -11.868 1.00 1.00 C ATOM 933 CG2 ILE A 64 79.293 5.803 -11.760 1.00 1.00 C ATOM 934 CD1 ILE A 64 81.531 4.414 -13.207 1.00 1.00 C ATOM 0 H ILE A 64 78.703 5.202 -9.061 1.00 1.00 H new ATOM 0 HA ILE A 64 78.149 2.881 -10.828 1.00 1.00 H new ATOM 0 HB ILE A 64 78.964 3.885 -12.683 1.00 1.00 H new ATOM 0 HG12 ILE A 64 81.488 4.428 -11.046 1.00 1.00 H new ATOM 0 HG13 ILE A 64 81.104 2.872 -11.754 1.00 1.00 H new ATOM 0 HG21 ILE A 64 79.726 6.245 -12.658 1.00 1.00 H new ATOM 0 HG22 ILE A 64 78.231 6.046 -11.712 1.00 1.00 H new ATOM 0 HG23 ILE A 64 79.797 6.203 -10.880 1.00 1.00 H new ATOM 0 HD11 ILE A 64 82.593 4.173 -13.253 1.00 1.00 H new ATOM 0 HD12 ILE A 64 81.009 3.911 -14.021 1.00 1.00 H new ATOM 0 HD13 ILE A 64 81.399 5.492 -13.302 1.00 1.00 H new ATOM 946 N THR A 65 80.689 3.830 -8.948 1.00 1.00 N ATOM 947 CA THR A 65 81.794 3.277 -8.112 1.00 1.00 C ATOM 948 C THR A 65 82.454 2.127 -8.875 1.00 1.00 C ATOM 949 O THR A 65 82.728 1.077 -8.333 1.00 1.00 O ATOM 950 CB THR A 65 81.246 2.780 -6.765 1.00 1.00 C ATOM 951 OG1 THR A 65 82.316 2.278 -5.977 1.00 1.00 O ATOM 952 CG2 THR A 65 80.222 1.669 -7.007 1.00 1.00 C ATOM 0 H THR A 65 80.573 4.842 -8.898 1.00 1.00 H new ATOM 0 HA THR A 65 82.530 4.055 -7.910 1.00 1.00 H new ATOM 0 HB THR A 65 80.765 3.606 -6.241 1.00 1.00 H new ATOM 0 HG1 THR A 65 82.753 1.540 -6.451 1.00 1.00 H new ATOM 0 HG21 THR A 65 79.834 1.317 -6.051 1.00 1.00 H new ATOM 0 HG22 THR A 65 79.402 2.056 -7.611 1.00 1.00 H new ATOM 0 HG23 THR A 65 80.700 0.841 -7.531 1.00 1.00 H new ATOM 960 N VAL A 66 82.683 2.329 -10.146 1.00 1.00 N ATOM 961 CA VAL A 66 83.294 1.271 -10.999 1.00 1.00 C ATOM 962 C VAL A 66 82.220 0.242 -11.349 1.00 1.00 C ATOM 963 O VAL A 66 81.906 0.026 -12.502 1.00 1.00 O ATOM 964 CB VAL A 66 84.456 0.584 -10.264 1.00 1.00 C ATOM 965 CG1 VAL A 66 85.329 -0.163 -11.274 1.00 1.00 C ATOM 966 CG2 VAL A 66 85.299 1.640 -9.546 1.00 1.00 C ATOM 0 H VAL A 66 82.468 3.198 -10.636 1.00 1.00 H new ATOM 0 HA VAL A 66 83.689 1.725 -11.908 1.00 1.00 H new ATOM 0 HB VAL A 66 84.058 -0.122 -9.535 1.00 1.00 H new ATOM 0 HG11 VAL A 66 86.153 -0.650 -10.753 1.00 1.00 H new ATOM 0 HG12 VAL A 66 84.729 -0.915 -11.787 1.00 1.00 H new ATOM 0 HG13 VAL A 66 85.727 0.543 -12.003 1.00 1.00 H new ATOM 0 HG21 VAL A 66 86.124 1.154 -9.024 1.00 1.00 H new ATOM 0 HG22 VAL A 66 85.697 2.346 -10.275 1.00 1.00 H new ATOM 0 HG23 VAL A 66 84.678 2.173 -8.826 1.00 1.00 H new ATOM 976 N ILE A 67 81.646 -0.384 -10.359 1.00 1.00 N ATOM 977 CA ILE A 67 80.578 -1.393 -10.620 1.00 1.00 C ATOM 978 C ILE A 67 79.443 -1.219 -9.608 1.00 1.00 C ATOM 979 O ILE A 67 79.551 -1.634 -8.471 1.00 1.00 O ATOM 980 CB ILE A 67 81.153 -2.809 -10.495 1.00 1.00 C ATOM 981 CG1 ILE A 67 82.081 -3.087 -11.679 1.00 1.00 C ATOM 982 CG2 ILE A 67 80.011 -3.827 -10.495 1.00 1.00 C ATOM 983 CD1 ILE A 67 81.280 -3.029 -12.981 1.00 1.00 C ATOM 0 H ILE A 67 81.871 -0.240 -9.375 1.00 1.00 H new ATOM 0 HA ILE A 67 80.194 -1.246 -11.629 1.00 1.00 H new ATOM 0 HB ILE A 67 81.713 -2.892 -9.564 1.00 1.00 H new ATOM 0 HG12 ILE A 67 82.887 -2.354 -11.703 1.00 1.00 H new ATOM 0 HG13 ILE A 67 82.545 -4.067 -11.569 1.00 1.00 H new ATOM 0 HG21 ILE A 67 80.421 -4.833 -10.406 1.00 1.00 H new ATOM 0 HG22 ILE A 67 79.348 -3.630 -9.653 1.00 1.00 H new ATOM 0 HG23 ILE A 67 79.450 -3.745 -11.426 1.00 1.00 H new ATOM 0 HD11 ILE A 67 81.942 -3.227 -13.824 1.00 1.00 H new ATOM 0 HD12 ILE A 67 80.490 -3.779 -12.956 1.00 1.00 H new ATOM 0 HD13 ILE A 67 80.837 -2.039 -13.092 1.00 1.00 H new ATOM 995 N CYS A 68 78.351 -0.633 -10.013 1.00 1.00 N ATOM 996 CA CYS A 68 77.203 -0.461 -9.076 1.00 1.00 C ATOM 997 C CYS A 68 76.094 -1.446 -9.461 1.00 1.00 C ATOM 998 O CYS A 68 75.852 -1.681 -10.629 1.00 1.00 O ATOM 999 CB CYS A 68 76.673 0.973 -9.178 1.00 1.00 C ATOM 1000 SG CYS A 68 74.985 1.045 -8.527 1.00 1.00 S ATOM 0 H CYS A 68 78.203 -0.265 -10.953 1.00 1.00 H new ATOM 0 HA CYS A 68 77.527 -0.653 -8.053 1.00 1.00 H new ATOM 0 HB2 CYS A 68 77.318 1.650 -8.619 1.00 1.00 H new ATOM 0 HB3 CYS A 68 76.687 1.304 -10.217 1.00 1.00 H new ATOM 0 HG CYS A 68 74.538 2.263 -8.613 1.00 1.00 H new ATOM 1005 N PRO A 69 75.415 -2.031 -8.502 1.00 1.00 N ATOM 1006 CA PRO A 69 74.328 -3.000 -8.795 1.00 1.00 C ATOM 1007 C PRO A 69 73.357 -2.443 -9.837 1.00 1.00 C ATOM 1008 O PRO A 69 72.512 -3.146 -10.354 1.00 1.00 O ATOM 1009 CB PRO A 69 73.621 -3.226 -7.446 1.00 1.00 C ATOM 1010 CG PRO A 69 74.256 -2.285 -6.469 1.00 1.00 C ATOM 1011 CD PRO A 69 75.597 -1.838 -7.059 1.00 1.00 C ATOM 0 HA PRO A 69 74.715 -3.929 -9.214 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.552 -3.033 -7.532 1.00 1.00 H new ATOM 0 HB3 PRO A 69 73.733 -4.259 -7.118 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.610 -1.425 -6.291 1.00 1.00 H new ATOM 0 HG3 PRO A 69 74.406 -2.775 -5.507 1.00 1.00 H new ATOM 0 HD2 PRO A 69 75.816 -0.798 -6.817 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.424 -2.435 -6.675 1.00 1.00 H new ATOM 1019 N TRP A 70 73.483 -1.183 -10.158 1.00 1.00 N ATOM 1020 CA TRP A 70 72.579 -0.583 -11.174 1.00 1.00 C ATOM 1021 C TRP A 70 72.836 -1.275 -12.509 1.00 1.00 C ATOM 1022 O TRP A 70 72.186 -1.010 -13.501 1.00 1.00 O ATOM 1023 CB TRP A 70 72.866 0.922 -11.300 1.00 1.00 C ATOM 1024 CG TRP A 70 71.873 1.692 -10.490 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.274 2.840 -10.882 1.00 1.00 C ATOM 1026 CD2 TRP A 70 71.354 1.392 -9.161 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.421 3.265 -9.880 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.434 2.407 -8.799 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.587 0.352 -8.246 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.771 2.387 -7.569 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.923 0.328 -7.011 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.017 1.342 -6.672 1.00 1.00 C ATOM 0 H TRP A 70 74.173 -0.546 -9.759 1.00 1.00 H new ATOM 0 HA TRP A 70 71.538 -0.715 -10.878 1.00 1.00 H new ATOM 0 HB2 TRP A 70 73.877 1.140 -10.957 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.812 1.226 -12.345 1.00 1.00 H new ATOM 0 HD1 TRP A 70 71.436 3.343 -11.824 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.852 4.110 -9.933 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.283 -0.435 -8.496 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 69.075 3.172 -7.313 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.111 -0.477 -6.316 1.00 1.00 H new ATOM 0 HH2 TRP A 70 69.509 1.317 -5.719 1.00 1.00 H new ATOM 1043 N GLU A 71 73.785 -2.165 -12.530 1.00 1.00 N ATOM 1044 CA GLU A 71 74.107 -2.893 -13.783 1.00 1.00 C ATOM 1045 C GLU A 71 74.592 -4.294 -13.416 1.00 1.00 C ATOM 1046 O GLU A 71 73.864 -5.263 -13.501 1.00 1.00 O ATOM 1047 CB GLU A 71 75.216 -2.142 -14.526 1.00 1.00 C ATOM 1048 CG GLU A 71 74.660 -0.828 -15.077 1.00 1.00 C ATOM 1049 CD GLU A 71 75.669 -0.214 -16.049 1.00 1.00 C ATOM 1050 OE1 GLU A 71 76.059 -0.900 -16.980 1.00 1.00 O ATOM 1051 OE2 GLU A 71 76.035 0.933 -15.847 1.00 1.00 O ATOM 0 H GLU A 71 74.356 -2.421 -11.725 1.00 1.00 H new ATOM 0 HA GLU A 71 73.227 -2.961 -14.423 1.00 1.00 H new ATOM 0 HB2 GLU A 71 76.049 -1.943 -13.852 1.00 1.00 H new ATOM 0 HB3 GLU A 71 75.603 -2.755 -15.340 1.00 1.00 H new ATOM 0 HG2 GLU A 71 73.712 -1.007 -15.585 1.00 1.00 H new ATOM 0 HG3 GLU A 71 74.458 -0.135 -14.260 1.00 1.00 H new ATOM 1058 N ALA A 72 75.817 -4.397 -12.993 1.00 1.00 N ATOM 1059 CA ALA A 72 76.370 -5.724 -12.594 1.00 1.00 C ATOM 1060 C ALA A 72 75.876 -6.071 -11.187 1.00 1.00 C ATOM 1061 O ALA A 72 76.527 -5.777 -10.204 1.00 1.00 O ATOM 1062 CB ALA A 72 77.901 -5.659 -12.610 1.00 1.00 C ATOM 0 H ALA A 72 76.466 -3.615 -12.905 1.00 1.00 H new ATOM 0 HA ALA A 72 76.037 -6.492 -13.292 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.309 -6.627 -12.319 1.00 1.00 H new ATOM 0 HB2 ALA A 72 78.244 -5.407 -13.614 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.240 -4.896 -11.909 1.00 1.00 H new ATOM 1068 N CYS A 73 74.727 -6.677 -11.078 1.00 1.00 N ATOM 1069 CA CYS A 73 74.195 -7.022 -9.728 1.00 1.00 C ATOM 1070 C CYS A 73 74.848 -8.313 -9.223 1.00 1.00 C ATOM 1071 O CYS A 73 74.288 -9.022 -8.411 1.00 1.00 O ATOM 1072 CB CYS A 73 72.677 -7.207 -9.813 1.00 1.00 C ATOM 1073 SG CYS A 73 71.859 -5.628 -9.474 1.00 1.00 S ATOM 0 H CYS A 73 74.134 -6.948 -11.862 1.00 1.00 H new ATOM 0 HA CYS A 73 74.425 -6.215 -9.032 1.00 1.00 H new ATOM 0 HB2 CYS A 73 72.398 -7.568 -10.803 1.00 1.00 H new ATOM 0 HB3 CYS A 73 72.351 -7.960 -9.095 1.00 1.00 H new ATOM 0 HG CYS A 73 72.515 -4.666 -10.053 1.00 1.00 H new ATOM 1078 N ASN A 74 76.031 -8.626 -9.680 1.00 1.00 N ATOM 1079 CA ASN A 74 76.696 -9.874 -9.198 1.00 1.00 C ATOM 1080 C ASN A 74 78.145 -9.925 -9.691 1.00 1.00 C ATOM 1081 O ASN A 74 79.048 -10.261 -8.950 1.00 1.00 O ATOM 1082 CB ASN A 74 75.936 -11.094 -9.727 1.00 1.00 C ATOM 1083 CG ASN A 74 76.310 -12.326 -8.900 1.00 1.00 C ATOM 1084 OD1 ASN A 74 77.410 -12.831 -9.005 1.00 1.00 O ATOM 1085 ND2 ASN A 74 75.435 -12.834 -8.076 1.00 1.00 N ATOM 0 H ASN A 74 76.562 -8.080 -10.358 1.00 1.00 H new ATOM 0 HA ASN A 74 76.691 -9.880 -8.108 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.862 -10.918 -9.672 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.179 -11.260 -10.777 1.00 1.00 H new ATOM 0 HD21 ASN A 74 75.675 -13.655 -7.520 1.00 1.00 H new ATOM 0 HD22 ASN A 74 74.511 -12.410 -7.988 1.00 1.00 H new ATOM 1092 N HIS A 75 78.373 -9.608 -10.934 1.00 1.00 N ATOM 1093 CA HIS A 75 79.762 -9.650 -11.475 1.00 1.00 C ATOM 1094 C HIS A 75 80.735 -9.008 -10.478 1.00 1.00 C ATOM 1095 O HIS A 75 81.389 -9.687 -9.712 1.00 1.00 O ATOM 1096 CB HIS A 75 79.809 -8.890 -12.806 1.00 1.00 C ATOM 1097 CG HIS A 75 79.607 -9.855 -13.942 1.00 1.00 C ATOM 1098 ND1 HIS A 75 78.443 -9.876 -14.696 1.00 1.00 N ATOM 1099 CD2 HIS A 75 80.411 -10.839 -14.464 1.00 1.00 C ATOM 1100 CE1 HIS A 75 78.576 -10.842 -15.622 1.00 1.00 C ATOM 1101 NE2 HIS A 75 79.755 -11.458 -15.524 1.00 1.00 N ATOM 0 H HIS A 75 77.657 -9.321 -11.601 1.00 1.00 H new ATOM 0 HA HIS A 75 80.055 -10.688 -11.634 1.00 1.00 H new ATOM 0 HB2 HIS A 75 79.036 -8.122 -12.826 1.00 1.00 H new ATOM 0 HB3 HIS A 75 80.767 -8.381 -12.913 1.00 1.00 H new ATOM 0 HD2 HIS A 75 81.398 -11.093 -14.107 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.822 -11.089 -16.354 1.00 1.00 H new ATOM 0 HE2 HIS A 75 80.103 -12.222 -16.104 1.00 1.00 H new ATOM 1110 N CYS A 76 80.845 -7.707 -10.488 1.00 1.00 N ATOM 1111 CA CYS A 76 81.787 -7.033 -9.550 1.00 1.00 C ATOM 1112 C CYS A 76 83.189 -7.616 -9.741 1.00 1.00 C ATOM 1113 O CYS A 76 83.567 -8.574 -9.096 1.00 1.00 O ATOM 1114 CB CYS A 76 81.322 -7.257 -8.106 1.00 1.00 C ATOM 1115 SG CYS A 76 80.375 -5.819 -7.547 1.00 1.00 S ATOM 0 H CYS A 76 80.324 -7.083 -11.104 1.00 1.00 H new ATOM 0 HA CYS A 76 81.808 -5.963 -9.755 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.708 -8.156 -8.046 1.00 1.00 H new ATOM 0 HB3 CYS A 76 82.183 -7.414 -7.456 1.00 1.00 H new ATOM 0 HG CYS A 76 79.979 -6.009 -6.324 1.00 1.00 H new ATOM 1120 N GLU A 77 83.958 -7.051 -10.633 1.00 1.00 N ATOM 1121 CA GLU A 77 85.332 -7.577 -10.878 1.00 1.00 C ATOM 1122 C GLU A 77 86.192 -7.379 -9.624 1.00 1.00 C ATOM 1123 O GLU A 77 86.155 -8.180 -8.713 1.00 1.00 O ATOM 1124 CB GLU A 77 85.947 -6.839 -12.075 1.00 1.00 C ATOM 1125 CG GLU A 77 87.139 -7.635 -12.611 1.00 1.00 C ATOM 1126 CD GLU A 77 88.250 -7.661 -11.559 1.00 1.00 C ATOM 1127 OE1 GLU A 77 88.999 -6.700 -11.492 1.00 1.00 O ATOM 1128 OE2 GLU A 77 88.333 -8.642 -10.838 1.00 1.00 O ATOM 0 H GLU A 77 83.694 -6.247 -11.203 1.00 1.00 H new ATOM 0 HA GLU A 77 85.287 -8.643 -11.102 1.00 1.00 H new ATOM 0 HB2 GLU A 77 85.200 -6.711 -12.859 1.00 1.00 H new ATOM 0 HB3 GLU A 77 86.268 -5.842 -11.774 1.00 1.00 H new ATOM 0 HG2 GLU A 77 86.831 -8.652 -12.855 1.00 1.00 H new ATOM 0 HG3 GLU A 77 87.507 -7.184 -13.532 1.00 1.00 H new ATOM 1135 N LEU A 78 86.964 -6.323 -9.566 1.00 1.00 N ATOM 1136 CA LEU A 78 87.825 -6.079 -8.368 1.00 1.00 C ATOM 1137 C LEU A 78 88.741 -7.284 -8.131 1.00 1.00 C ATOM 1138 O LEU A 78 89.935 -7.217 -8.343 1.00 1.00 O ATOM 1139 CB LEU A 78 86.945 -5.858 -7.127 1.00 1.00 C ATOM 1140 CG LEU A 78 86.591 -4.375 -7.005 1.00 1.00 C ATOM 1141 CD1 LEU A 78 87.854 -3.573 -6.686 1.00 1.00 C ATOM 1142 CD2 LEU A 78 85.998 -3.883 -8.327 1.00 1.00 C ATOM 0 H LEU A 78 87.035 -5.617 -10.299 1.00 1.00 H new ATOM 0 HA LEU A 78 88.431 -5.191 -8.545 1.00 1.00 H new ATOM 0 HB2 LEU A 78 86.036 -6.454 -7.203 1.00 1.00 H new ATOM 0 HB3 LEU A 78 87.471 -6.191 -6.232 1.00 1.00 H new ATOM 0 HG LEU A 78 85.863 -4.240 -6.205 1.00 1.00 H new ATOM 0 HD11 LEU A 78 87.602 -2.516 -6.599 1.00 1.00 H new ATOM 0 HD12 LEU A 78 88.279 -3.923 -5.745 1.00 1.00 H new ATOM 0 HD13 LEU A 78 88.582 -3.708 -7.486 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.745 -2.826 -8.241 1.00 1.00 H new ATOM 0 HD22 LEU A 78 86.727 -4.018 -9.126 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.098 -4.454 -8.557 1.00 1.00 H new