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 USER MOD Single : A 62 THR OG1 : rot 19:sc= 0.764 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 64:sc= -1.76! USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.14) USER MOD Single : A 75 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.51) USER MOD Single : A 76 CYS SG : rot -159:sc= 0.576 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 77.489 10.449 -1.604 1.00 1.00 N ATOM 878 CA GLY A 59 78.917 10.621 -1.203 1.00 1.00 C ATOM 879 C GLY A 59 79.695 9.351 -1.547 1.00 1.00 C ATOM 880 O GLY A 59 79.390 8.276 -1.070 1.00 1.00 O ATOM 0 HA2 GLY A 59 79.351 11.478 -1.719 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.985 10.824 -0.134 1.00 1.00 H new ATOM 884 N CYS A 60 80.698 9.466 -2.373 1.00 1.00 N ATOM 885 CA CYS A 60 81.494 8.264 -2.750 1.00 1.00 C ATOM 886 C CYS A 60 82.889 8.700 -3.205 1.00 1.00 C ATOM 887 O CYS A 60 83.036 9.554 -4.056 1.00 1.00 O ATOM 888 CB CYS A 60 80.788 7.525 -3.892 1.00 1.00 C ATOM 889 SG CYS A 60 79.897 8.716 -4.924 1.00 1.00 S ATOM 0 H CYS A 60 81.001 10.340 -2.803 1.00 1.00 H new ATOM 0 HA CYS A 60 81.585 7.600 -1.890 1.00 1.00 H new ATOM 0 HB2 CYS A 60 81.517 6.981 -4.493 1.00 1.00 H new ATOM 0 HB3 CYS A 60 80.094 6.788 -3.488 1.00 1.00 H new ATOM 0 HG CYS A 60 79.300 8.089 -5.894 1.00 1.00 H new ATOM 894 N GLY A 61 83.914 8.121 -2.642 1.00 1.00 N ATOM 895 CA GLY A 61 85.297 8.503 -3.041 1.00 1.00 C ATOM 896 C GLY A 61 86.281 7.433 -2.564 1.00 1.00 C ATOM 897 O GLY A 61 87.169 7.027 -3.287 1.00 1.00 O ATOM 0 H GLY A 61 83.853 7.400 -1.923 1.00 1.00 H new ATOM 0 HA2 GLY A 61 85.358 8.611 -4.124 1.00 1.00 H new ATOM 0 HA3 GLY A 61 85.557 9.470 -2.610 1.00 1.00 H new ATOM 901 N THR A 62 86.131 6.974 -1.351 1.00 1.00 N ATOM 902 CA THR A 62 87.059 5.931 -0.829 1.00 1.00 C ATOM 903 C THR A 62 86.628 5.522 0.581 1.00 1.00 C ATOM 904 O THR A 62 87.345 4.841 1.287 1.00 1.00 O ATOM 905 CB THR A 62 88.484 6.490 -0.783 1.00 1.00 C ATOM 906 OG1 THR A 62 89.269 5.707 0.105 1.00 1.00 O ATOM 907 CG2 THR A 62 88.450 7.940 -0.296 1.00 1.00 C ATOM 0 H THR A 62 85.407 7.276 -0.700 1.00 1.00 H new ATOM 0 HA THR A 62 87.030 5.061 -1.485 1.00 1.00 H new ATOM 0 HB THR A 62 88.921 6.456 -1.781 1.00 1.00 H new ATOM 0 HG1 THR A 62 88.833 4.841 0.250 1.00 1.00 H new ATOM 0 HG21 THR A 62 89.465 8.337 -0.264 1.00 1.00 H new ATOM 0 HG22 THR A 62 87.848 8.539 -0.979 1.00 1.00 H new ATOM 0 HG23 THR A 62 88.013 7.978 0.702 1.00 1.00 H new ATOM 915 N ASP A 63 85.461 5.933 0.999 1.00 1.00 N ATOM 916 CA ASP A 63 84.987 5.567 2.364 1.00 1.00 C ATOM 917 C ASP A 63 84.663 4.071 2.415 1.00 1.00 C ATOM 918 O ASP A 63 83.817 3.636 3.170 1.00 1.00 O ATOM 919 CB ASP A 63 83.730 6.372 2.700 1.00 1.00 C ATOM 920 CG ASP A 63 82.778 6.356 1.502 1.00 1.00 C ATOM 921 OD1 ASP A 63 83.160 6.862 0.460 1.00 1.00 O ATOM 922 OD2 ASP A 63 81.683 5.837 1.648 1.00 1.00 O ATOM 0 H ASP A 63 84.816 6.506 0.454 1.00 1.00 H new ATOM 0 HA ASP A 63 85.769 5.791 3.089 1.00 1.00 H new ATOM 0 HB2 ASP A 63 83.237 5.949 3.575 1.00 1.00 H new ATOM 0 HB3 ASP A 63 83.999 7.398 2.951 1.00 1.00 H new ATOM 927 N ILE A 64 85.331 3.279 1.620 1.00 1.00 N ATOM 928 CA ILE A 64 85.061 1.815 1.627 1.00 1.00 C ATOM 929 C ILE A 64 86.236 1.080 0.981 1.00 1.00 C ATOM 930 O ILE A 64 86.068 0.152 0.218 1.00 1.00 O ATOM 931 CB ILE A 64 83.764 1.533 0.860 1.00 1.00 C ATOM 932 CG1 ILE A 64 83.632 0.027 0.620 1.00 1.00 C ATOM 933 CG2 ILE A 64 83.797 2.261 -0.485 1.00 1.00 C ATOM 934 CD1 ILE A 64 82.154 -0.368 0.653 1.00 1.00 C ATOM 0 H ILE A 64 86.052 3.584 0.966 1.00 1.00 H new ATOM 0 HA ILE A 64 84.946 1.463 2.652 1.00 1.00 H new ATOM 0 HB ILE A 64 82.913 1.886 1.443 1.00 1.00 H new ATOM 0 HG12 ILE A 64 84.069 -0.238 -0.343 1.00 1.00 H new ATOM 0 HG13 ILE A 64 84.183 -0.523 1.382 1.00 1.00 H new ATOM 0 HG21 ILE A 64 82.875 2.060 -1.030 1.00 1.00 H new ATOM 0 HG22 ILE A 64 83.892 3.334 -0.316 1.00 1.00 H new ATOM 0 HG23 ILE A 64 84.647 1.909 -1.069 1.00 1.00 H new ATOM 0 HD11 ILE A 64 82.060 -1.440 0.482 1.00 1.00 H new ATOM 0 HD12 ILE A 64 81.732 -0.117 1.626 1.00 1.00 H new ATOM 0 HD13 ILE A 64 81.616 0.172 -0.126 1.00 1.00 H new ATOM 946 N THR A 65 87.432 1.474 1.299 1.00 1.00 N ATOM 947 CA THR A 65 88.610 0.779 0.721 1.00 1.00 C ATOM 948 C THR A 65 88.721 -0.582 1.398 1.00 1.00 C ATOM 949 O THR A 65 88.942 -1.595 0.766 1.00 1.00 O ATOM 950 CB THR A 65 89.876 1.597 0.986 1.00 1.00 C ATOM 951 OG1 THR A 65 90.988 0.953 0.382 1.00 1.00 O ATOM 952 CG2 THR A 65 90.106 1.711 2.494 1.00 1.00 C ATOM 0 H THR A 65 87.646 2.245 1.932 1.00 1.00 H new ATOM 0 HA THR A 65 88.496 0.662 -0.357 1.00 1.00 H new ATOM 0 HB THR A 65 89.760 2.595 0.563 1.00 1.00 H new ATOM 0 HG1 THR A 65 91.800 1.476 0.549 1.00 1.00 H new ATOM 0 HG21 THR A 65 91.008 2.294 2.681 1.00 1.00 H new ATOM 0 HG22 THR A 65 89.252 2.206 2.956 1.00 1.00 H new ATOM 0 HG23 THR A 65 90.223 0.715 2.921 1.00 1.00 H new ATOM 960 N VAL A 66 88.547 -0.601 2.690 1.00 1.00 N ATOM 961 CA VAL A 66 88.615 -1.876 3.451 1.00 1.00 C ATOM 962 C VAL A 66 87.825 -1.704 4.749 1.00 1.00 C ATOM 963 O VAL A 66 87.542 -2.655 5.450 1.00 1.00 O ATOM 964 CB VAL A 66 90.074 -2.205 3.788 1.00 1.00 C ATOM 965 CG1 VAL A 66 90.131 -3.495 4.608 1.00 1.00 C ATOM 966 CG2 VAL A 66 90.866 -2.391 2.492 1.00 1.00 C ATOM 0 H VAL A 66 88.358 0.225 3.257 1.00 1.00 H new ATOM 0 HA VAL A 66 88.197 -2.687 2.854 1.00 1.00 H new ATOM 0 HB VAL A 66 90.506 -1.388 4.366 1.00 1.00 H new ATOM 0 HG11 VAL A 66 91.168 -3.728 4.847 1.00 1.00 H new ATOM 0 HG12 VAL A 66 89.566 -3.365 5.531 1.00 1.00 H new ATOM 0 HG13 VAL A 66 89.699 -4.312 4.031 1.00 1.00 H new ATOM 0 HG21 VAL A 66 91.904 -2.625 2.730 1.00 1.00 H new ATOM 0 HG22 VAL A 66 90.433 -3.208 1.915 1.00 1.00 H new ATOM 0 HG23 VAL A 66 90.826 -1.473 1.906 1.00 1.00 H new ATOM 976 N ILE A 67 87.470 -0.486 5.074 1.00 1.00 N ATOM 977 CA ILE A 67 86.701 -0.233 6.327 1.00 1.00 C ATOM 978 C ILE A 67 85.576 0.766 6.051 1.00 1.00 C ATOM 979 O ILE A 67 85.811 1.946 5.880 1.00 1.00 O ATOM 980 CB ILE A 67 87.641 0.336 7.391 1.00 1.00 C ATOM 981 CG1 ILE A 67 88.894 -0.538 7.482 1.00 1.00 C ATOM 982 CG2 ILE A 67 86.931 0.350 8.746 1.00 1.00 C ATOM 983 CD1 ILE A 67 89.804 -0.011 8.594 1.00 1.00 C ATOM 0 H ILE A 67 87.681 0.346 4.522 1.00 1.00 H new ATOM 0 HA ILE A 67 86.269 -1.169 6.682 1.00 1.00 H new ATOM 0 HB ILE A 67 87.924 1.353 7.119 1.00 1.00 H new ATOM 0 HG12 ILE A 67 88.615 -1.572 7.685 1.00 1.00 H new ATOM 0 HG13 ILE A 67 89.425 -0.532 6.530 1.00 1.00 H new ATOM 0 HG21 ILE A 67 87.601 0.756 9.504 1.00 1.00 H new ATOM 0 HG22 ILE A 67 86.037 0.971 8.682 1.00 1.00 H new ATOM 0 HG23 ILE A 67 86.648 -0.667 9.019 1.00 1.00 H new ATOM 0 HD11 ILE A 67 90.697 -0.633 8.659 1.00 1.00 H new ATOM 0 HD12 ILE A 67 90.093 1.016 8.371 1.00 1.00 H new ATOM 0 HD13 ILE A 67 89.271 -0.040 9.545 1.00 1.00 H new ATOM 995 N CYS A 68 84.356 0.304 6.020 1.00 1.00 N ATOM 996 CA CYS A 68 83.207 1.222 5.771 1.00 1.00 C ATOM 997 C CYS A 68 82.236 1.133 6.956 1.00 1.00 C ATOM 998 O CYS A 68 81.965 0.059 7.456 1.00 1.00 O ATOM 999 CB CYS A 68 82.495 0.802 4.480 1.00 1.00 C ATOM 1000 SG CYS A 68 81.562 2.205 3.819 1.00 1.00 S ATOM 0 H CYS A 68 84.104 -0.675 6.157 1.00 1.00 H new ATOM 0 HA CYS A 68 83.561 2.248 5.666 1.00 1.00 H new ATOM 0 HB2 CYS A 68 83.224 0.458 3.746 1.00 1.00 H new ATOM 0 HB3 CYS A 68 81.824 -0.034 4.678 1.00 1.00 H new ATOM 0 HG CYS A 68 82.385 3.153 3.481 1.00 1.00 H new ATOM 1005 N PRO A 69 81.725 2.250 7.426 1.00 1.00 N ATOM 1006 CA PRO A 69 80.787 2.288 8.584 1.00 1.00 C ATOM 1007 C PRO A 69 79.865 1.063 8.663 1.00 1.00 C ATOM 1008 O PRO A 69 79.326 0.753 9.707 1.00 1.00 O ATOM 1009 CB PRO A 69 79.989 3.560 8.324 1.00 1.00 C ATOM 1010 CG PRO A 69 80.964 4.483 7.667 1.00 1.00 C ATOM 1011 CD PRO A 69 81.972 3.606 6.908 1.00 1.00 C ATOM 0 HA PRO A 69 81.314 2.276 9.538 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.130 3.366 7.681 1.00 1.00 H new ATOM 0 HB3 PRO A 69 79.604 3.984 9.251 1.00 1.00 H new ATOM 0 HG2 PRO A 69 80.453 5.162 6.984 1.00 1.00 H new ATOM 0 HG3 PRO A 69 81.471 5.100 8.409 1.00 1.00 H new ATOM 0 HD2 PRO A 69 81.814 3.657 5.831 1.00 1.00 H new ATOM 0 HD3 PRO A 69 82.998 3.924 7.095 1.00 1.00 H new ATOM 1019 N TRP A 70 79.683 0.361 7.579 1.00 1.00 N ATOM 1020 CA TRP A 70 78.801 -0.841 7.615 1.00 1.00 C ATOM 1021 C TRP A 70 79.358 -1.843 8.631 1.00 1.00 C ATOM 1022 O TRP A 70 78.628 -2.617 9.217 1.00 1.00 O ATOM 1023 CB TRP A 70 78.758 -1.481 6.222 1.00 1.00 C ATOM 1024 CG TRP A 70 78.312 -2.903 6.338 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.236 -3.325 7.041 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.909 -4.095 5.749 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.133 -4.698 6.921 1.00 1.00 N ATOM 1028 CE2 TRP A 70 78.140 -5.221 6.135 1.00 1.00 C ATOM 1029 CE3 TRP A 70 80.029 -4.308 4.927 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.474 -6.512 5.718 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 80.367 -5.603 4.506 1.00 1.00 C ATOM 1032 CH2 TRP A 70 79.592 -6.703 4.900 1.00 1.00 C ATOM 0 H TRP A 70 80.104 0.566 6.673 1.00 1.00 H new ATOM 0 HA TRP A 70 77.792 -0.552 7.908 1.00 1.00 H new ATOM 0 HB2 TRP A 70 78.076 -0.927 5.577 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.744 -1.435 5.759 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.566 -2.692 7.604 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.402 -5.257 7.360 1.00 1.00 H new ATOM 0 HE3 TRP A 70 80.634 -3.469 4.617 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 77.874 -7.356 6.025 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 81.230 -5.754 3.874 1.00 1.00 H new ATOM 0 HH2 TRP A 70 79.858 -7.697 4.572 1.00 1.00 H new ATOM 1043 N GLU A 71 80.648 -1.834 8.841 1.00 1.00 N ATOM 1044 CA GLU A 71 81.261 -2.784 9.815 1.00 1.00 C ATOM 1045 C GLU A 71 81.702 -2.020 11.064 1.00 1.00 C ATOM 1046 O GLU A 71 81.605 -2.512 12.171 1.00 1.00 O ATOM 1047 CB GLU A 71 82.475 -3.450 9.167 1.00 1.00 C ATOM 1048 CG GLU A 71 82.029 -4.242 7.937 1.00 1.00 C ATOM 1049 CD GLU A 71 83.227 -4.467 7.012 1.00 1.00 C ATOM 1050 OE1 GLU A 71 84.299 -3.983 7.335 1.00 1.00 O ATOM 1051 OE2 GLU A 71 83.052 -5.120 5.996 1.00 1.00 O ATOM 0 H GLU A 71 81.306 -1.207 8.378 1.00 1.00 H new ATOM 0 HA GLU A 71 80.532 -3.544 10.097 1.00 1.00 H new ATOM 0 HB2 GLU A 71 83.207 -2.695 8.880 1.00 1.00 H new ATOM 0 HB3 GLU A 71 82.964 -4.113 9.881 1.00 1.00 H new ATOM 0 HG2 GLU A 71 81.606 -5.200 8.242 1.00 1.00 H new ATOM 0 HG3 GLU A 71 81.244 -3.701 7.408 1.00 1.00 H new ATOM 1058 N ALA A 72 82.185 -0.820 10.897 1.00 1.00 N ATOM 1059 CA ALA A 72 82.630 -0.026 12.077 1.00 1.00 C ATOM 1060 C ALA A 72 81.405 0.427 12.875 1.00 1.00 C ATOM 1061 O ALA A 72 81.385 0.365 14.088 1.00 1.00 O ATOM 1062 CB ALA A 72 83.419 1.197 11.603 1.00 1.00 C ATOM 0 H ALA A 72 82.291 -0.355 9.995 1.00 1.00 H new ATOM 0 HA ALA A 72 83.268 -0.641 12.712 1.00 1.00 H new ATOM 0 HB1 ALA A 72 83.744 1.777 12.467 1.00 1.00 H new ATOM 0 HB2 ALA A 72 84.291 0.870 11.036 1.00 1.00 H new ATOM 0 HB3 ALA A 72 82.785 1.816 10.968 1.00 1.00 H new ATOM 1068 N CYS A 73 80.380 0.880 12.203 1.00 1.00 N ATOM 1069 CA CYS A 73 79.157 1.331 12.926 1.00 1.00 C ATOM 1070 C CYS A 73 78.495 0.129 13.601 1.00 1.00 C ATOM 1071 O CYS A 73 78.017 0.215 14.715 1.00 1.00 O ATOM 1072 CB CYS A 73 78.179 1.962 11.932 1.00 1.00 C ATOM 1073 SG CYS A 73 77.034 3.049 12.818 1.00 1.00 S ATOM 0 H CYS A 73 80.337 0.957 11.187 1.00 1.00 H new ATOM 0 HA CYS A 73 79.431 2.068 13.681 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.725 2.529 11.178 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.625 1.184 11.407 1.00 1.00 H new ATOM 0 HG CYS A 73 76.205 3.587 11.973 1.00 1.00 H new ATOM 1078 N ASN A 74 78.465 -0.993 12.935 1.00 1.00 N ATOM 1079 CA ASN A 74 77.837 -2.202 13.536 1.00 1.00 C ATOM 1080 C ASN A 74 76.319 -2.008 13.596 1.00 1.00 C ATOM 1081 O ASN A 74 75.656 -2.492 14.492 1.00 1.00 O ATOM 1082 CB ASN A 74 78.393 -2.415 14.951 1.00 1.00 C ATOM 1083 CG ASN A 74 78.583 -3.911 15.207 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.296 -4.577 14.483 1.00 1.00 O ATOM 1085 ND2 ASN A 74 77.971 -4.472 16.214 1.00 1.00 N ATOM 0 H ASN A 74 78.849 -1.124 11.999 1.00 1.00 H new ATOM 0 HA ASN A 74 78.064 -3.077 12.927 1.00 1.00 H new ATOM 0 HB2 ASN A 74 79.344 -1.893 15.062 1.00 1.00 H new ATOM 0 HB3 ASN A 74 77.710 -1.993 15.688 1.00 1.00 H new ATOM 0 HD21 ASN A 74 78.091 -5.469 16.393 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.372 -3.913 16.822 1.00 1.00 H new ATOM 1092 N HIS A 75 75.764 -1.301 12.646 1.00 1.00 N ATOM 1093 CA HIS A 75 74.290 -1.070 12.643 1.00 1.00 C ATOM 1094 C HIS A 75 73.623 -2.043 11.667 1.00 1.00 C ATOM 1095 O HIS A 75 72.531 -1.806 11.189 1.00 1.00 O ATOM 1096 CB HIS A 75 74.005 0.370 12.206 1.00 1.00 C ATOM 1097 CG HIS A 75 72.628 0.769 12.660 1.00 1.00 C ATOM 1098 ND1 HIS A 75 71.556 0.855 11.784 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.131 1.108 13.896 1.00 1.00 C ATOM 1100 CE1 HIS A 75 70.478 1.232 12.494 1.00 1.00 C ATOM 1101 NE2 HIS A 75 70.775 1.399 13.785 1.00 1.00 N ATOM 0 H HIS A 75 76.270 -0.873 11.871 1.00 1.00 H new ATOM 0 HA HIS A 75 73.892 -1.233 13.644 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.749 1.044 12.631 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.081 0.454 11.122 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.704 1.143 14.811 1.00 1.00 H new ATOM 0 HE1 HIS A 75 69.495 1.381 12.073 1.00 1.00 H new ATOM 0 HE2 HIS A 75 70.141 1.681 14.533 1.00 1.00 H new ATOM 1110 N CYS A 76 74.272 -3.139 11.369 1.00 1.00 N ATOM 1111 CA CYS A 76 73.686 -4.134 10.429 1.00 1.00 C ATOM 1112 C CYS A 76 73.823 -5.532 11.033 1.00 1.00 C ATOM 1113 O CYS A 76 74.105 -5.689 12.205 1.00 1.00 O ATOM 1114 CB CYS A 76 74.439 -4.081 9.097 1.00 1.00 C ATOM 1115 SG CYS A 76 73.436 -4.851 7.802 1.00 1.00 S ATOM 0 H CYS A 76 75.189 -3.387 11.741 1.00 1.00 H new ATOM 0 HA CYS A 76 72.634 -3.906 10.260 1.00 1.00 H new ATOM 0 HB2 CYS A 76 74.660 -3.047 8.833 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.394 -4.598 9.187 1.00 1.00 H new ATOM 0 HG CYS A 76 74.201 -5.201 6.811 1.00 1.00 H new ATOM 1120 N GLU A 77 73.637 -6.545 10.240 1.00 1.00 N ATOM 1121 CA GLU A 77 73.767 -7.934 10.759 1.00 1.00 C ATOM 1122 C GLU A 77 75.247 -8.240 10.999 1.00 1.00 C ATOM 1123 O GLU A 77 75.940 -7.511 11.683 1.00 1.00 O ATOM 1124 CB GLU A 77 73.200 -8.919 9.732 1.00 1.00 C ATOM 1125 CG GLU A 77 71.734 -8.580 9.454 1.00 1.00 C ATOM 1126 CD GLU A 77 70.884 -8.953 10.669 1.00 1.00 C ATOM 1127 OE1 GLU A 77 70.417 -10.079 10.718 1.00 1.00 O ATOM 1128 OE2 GLU A 77 70.714 -8.107 11.531 1.00 1.00 O ATOM 0 H GLU A 77 73.400 -6.473 9.251 1.00 1.00 H new ATOM 0 HA GLU A 77 73.215 -8.032 11.694 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.777 -8.870 8.809 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.284 -9.939 10.106 1.00 1.00 H new ATOM 0 HG2 GLU A 77 71.631 -7.517 9.237 1.00 1.00 H new ATOM 0 HG3 GLU A 77 71.386 -9.120 8.574 1.00 1.00 H new ATOM 1135 N LEU A 78 75.740 -9.307 10.433 1.00 1.00 N ATOM 1136 CA LEU A 78 77.177 -9.657 10.617 1.00 1.00 C ATOM 1137 C LEU A 78 78.032 -8.409 10.377 1.00 1.00 C ATOM 1138 O LEU A 78 77.665 -7.530 9.622 1.00 1.00 O ATOM 1139 CB LEU A 78 77.557 -10.750 9.614 1.00 1.00 C ATOM 1140 CG LEU A 78 79.037 -11.101 9.771 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.277 -11.698 11.159 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.434 -12.123 8.703 1.00 1.00 C ATOM 0 H LEU A 78 75.208 -9.953 9.850 1.00 1.00 H new ATOM 0 HA LEU A 78 77.348 -10.021 11.630 1.00 1.00 H new ATOM 0 HB2 LEU A 78 76.944 -11.636 9.777 1.00 1.00 H new ATOM 0 HB3 LEU A 78 77.360 -10.409 8.598 1.00 1.00 H new ATOM 0 HG LEU A 78 79.638 -10.199 9.655 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.332 -11.948 11.270 1.00 1.00 H new ATOM 0 HD12 LEU A 78 78.994 -10.972 11.921 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.676 -12.600 11.276 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.489 -12.374 8.814 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.832 -13.024 8.820 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.264 -11.700 7.713 1.00 1.00 H new