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 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 105:sc= -0.0915! USER MOD Single : A 68 CYS SG : rot -10:sc= -0.25 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.78! C(o=-3.8!,f=-6.6!) USER MOD Single : A 75 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-3.3) USER MOD Single : A 76 CYS SG : rot 180:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 75.441 8.070 2.009 1.00 1.00 N ATOM 878 CA GLY A 59 74.918 8.871 0.866 1.00 1.00 C ATOM 879 C GLY A 59 74.732 7.962 -0.348 1.00 1.00 C ATOM 880 O GLY A 59 74.703 6.753 -0.229 1.00 1.00 O ATOM 0 HA2 GLY A 59 73.969 9.334 1.136 1.00 1.00 H new ATOM 0 HA3 GLY A 59 75.610 9.679 0.627 1.00 1.00 H new ATOM 884 N CYS A 60 74.604 8.529 -1.516 1.00 1.00 N ATOM 885 CA CYS A 60 74.419 7.686 -2.731 1.00 1.00 C ATOM 886 C CYS A 60 73.186 6.798 -2.547 1.00 1.00 C ATOM 887 O CYS A 60 72.881 5.962 -3.375 1.00 1.00 O ATOM 888 CB CYS A 60 75.660 6.807 -2.930 1.00 1.00 C ATOM 889 SG CYS A 60 76.216 6.925 -4.649 1.00 1.00 S ATOM 0 H CYS A 60 74.619 9.535 -1.682 1.00 1.00 H new ATOM 0 HA CYS A 60 74.281 8.323 -3.605 1.00 1.00 H new ATOM 0 HB2 CYS A 60 76.456 7.126 -2.257 1.00 1.00 H new ATOM 0 HB3 CYS A 60 75.428 5.771 -2.682 1.00 1.00 H new ATOM 0 HG CYS A 60 77.269 6.181 -4.816 1.00 1.00 H new ATOM 894 N GLY A 61 72.481 6.968 -1.463 1.00 1.00 N ATOM 895 CA GLY A 61 71.275 6.129 -1.218 1.00 1.00 C ATOM 896 C GLY A 61 70.105 6.635 -2.062 1.00 1.00 C ATOM 897 O GLY A 61 69.119 5.950 -2.233 1.00 1.00 O ATOM 0 H GLY A 61 72.688 7.652 -0.736 1.00 1.00 H new ATOM 0 HA2 GLY A 61 71.489 5.089 -1.465 1.00 1.00 H new ATOM 0 HA3 GLY A 61 71.011 6.158 -0.161 1.00 1.00 H new ATOM 901 N THR A 62 70.200 7.827 -2.589 1.00 1.00 N ATOM 902 CA THR A 62 69.083 8.373 -3.418 1.00 1.00 C ATOM 903 C THR A 62 68.514 7.269 -4.316 1.00 1.00 C ATOM 904 O THR A 62 67.349 7.274 -4.658 1.00 1.00 O ATOM 905 CB THR A 62 69.602 9.526 -4.285 1.00 1.00 C ATOM 906 OG1 THR A 62 68.501 10.252 -4.812 1.00 1.00 O ATOM 907 CG2 THR A 62 70.444 8.965 -5.433 1.00 1.00 C ATOM 0 H THR A 62 71.003 8.447 -2.482 1.00 1.00 H new ATOM 0 HA THR A 62 68.295 8.741 -2.760 1.00 1.00 H new ATOM 0 HB THR A 62 70.218 10.190 -3.678 1.00 1.00 H new ATOM 0 HG1 THR A 62 68.831 10.991 -5.365 1.00 1.00 H new ATOM 0 HG21 THR A 62 70.812 9.786 -6.049 1.00 1.00 H new ATOM 0 HG22 THR A 62 71.289 8.409 -5.027 1.00 1.00 H new ATOM 0 HG23 THR A 62 69.831 8.301 -6.043 1.00 1.00 H new ATOM 915 N ASP A 63 69.328 6.322 -4.697 1.00 1.00 N ATOM 916 CA ASP A 63 68.831 5.221 -5.569 1.00 1.00 C ATOM 917 C ASP A 63 67.677 4.502 -4.869 1.00 1.00 C ATOM 918 O ASP A 63 67.047 3.626 -5.428 1.00 1.00 O ATOM 919 CB ASP A 63 69.966 4.229 -5.835 1.00 1.00 C ATOM 920 CG ASP A 63 70.585 3.792 -4.506 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.856 3.718 -3.531 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.779 3.538 -4.487 1.00 1.00 O ATOM 0 H ASP A 63 70.314 6.264 -4.442 1.00 1.00 H new ATOM 0 HA ASP A 63 68.482 5.634 -6.515 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.586 3.361 -6.374 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.725 4.690 -6.468 1.00 1.00 H new ATOM 927 N ILE A 64 67.394 4.866 -3.648 1.00 1.00 N ATOM 928 CA ILE A 64 66.281 4.207 -2.910 1.00 1.00 C ATOM 929 C ILE A 64 66.005 4.971 -1.612 1.00 1.00 C ATOM 930 O ILE A 64 64.897 4.985 -1.117 1.00 1.00 O ATOM 931 CB ILE A 64 66.668 2.766 -2.580 1.00 1.00 C ATOM 932 CG1 ILE A 64 65.438 2.013 -2.069 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.751 2.762 -1.500 1.00 1.00 C ATOM 934 CD1 ILE A 64 64.557 1.610 -3.254 1.00 1.00 C ATOM 0 H ILE A 64 67.887 5.593 -3.129 1.00 1.00 H new ATOM 0 HA ILE A 64 65.385 4.209 -3.531 1.00 1.00 H new ATOM 0 HB ILE A 64 67.048 2.278 -3.477 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.746 1.127 -1.513 1.00 1.00 H new ATOM 0 HG13 ILE A 64 64.874 2.642 -1.380 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.027 1.734 -1.265 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.628 3.299 -1.862 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.371 3.250 -0.602 1.00 1.00 H new ATOM 0 HD11 ILE A 64 63.681 1.074 -2.890 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.238 2.503 -3.791 1.00 1.00 H new ATOM 0 HD13 ILE A 64 65.124 0.966 -3.926 1.00 1.00 H new ATOM 946 N THR A 65 67.015 5.598 -1.065 1.00 1.00 N ATOM 947 CA THR A 65 66.856 6.374 0.204 1.00 1.00 C ATOM 948 C THR A 65 67.134 5.469 1.409 1.00 1.00 C ATOM 949 O THR A 65 67.472 5.940 2.477 1.00 1.00 O ATOM 950 CB THR A 65 65.438 6.949 0.312 1.00 1.00 C ATOM 951 OG1 THR A 65 64.982 7.324 -0.980 1.00 1.00 O ATOM 952 CG2 THR A 65 65.450 8.174 1.227 1.00 1.00 C ATOM 0 H THR A 65 67.959 5.605 -1.450 1.00 1.00 H new ATOM 0 HA THR A 65 67.570 7.198 0.195 1.00 1.00 H new ATOM 0 HB THR A 65 64.770 6.195 0.729 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.325 6.670 -1.298 1.00 1.00 H new ATOM 0 HG21 THR A 65 64.442 8.581 1.303 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.800 7.885 2.218 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.117 8.931 0.813 1.00 1.00 H new ATOM 960 N VAL A 66 66.990 4.178 1.258 1.00 1.00 N ATOM 961 CA VAL A 66 67.247 3.266 2.415 1.00 1.00 C ATOM 962 C VAL A 66 67.885 1.948 1.948 1.00 1.00 C ATOM 963 O VAL A 66 69.053 1.708 2.183 1.00 1.00 O ATOM 964 CB VAL A 66 65.929 2.976 3.143 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.390 4.268 3.759 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.908 2.423 2.146 1.00 1.00 C ATOM 0 H VAL A 66 66.708 3.718 0.392 1.00 1.00 H new ATOM 0 HA VAL A 66 67.942 3.759 3.095 1.00 1.00 H new ATOM 0 HB VAL A 66 66.103 2.243 3.931 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.453 4.061 4.276 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.117 4.664 4.469 1.00 1.00 H new ATOM 0 HG13 VAL A 66 65.215 5.001 2.972 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.970 2.216 2.662 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.735 3.156 1.358 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.291 1.502 1.706 1.00 1.00 H new ATOM 976 N ILE A 67 67.134 1.083 1.311 1.00 1.00 N ATOM 977 CA ILE A 67 67.710 -0.224 0.863 1.00 1.00 C ATOM 978 C ILE A 67 67.289 -0.526 -0.579 1.00 1.00 C ATOM 979 O ILE A 67 66.201 -1.006 -0.828 1.00 1.00 O ATOM 980 CB ILE A 67 67.192 -1.337 1.784 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.782 -1.154 3.184 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.614 -2.698 1.229 1.00 1.00 C ATOM 983 CD1 ILE A 67 66.648 -1.058 4.207 1.00 1.00 C ATOM 0 H ILE A 67 66.150 1.224 1.082 1.00 1.00 H new ATOM 0 HA ILE A 67 68.798 -0.170 0.908 1.00 1.00 H new ATOM 0 HB ILE A 67 66.104 -1.288 1.836 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.436 -1.992 3.427 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.394 -0.252 3.218 1.00 1.00 H new ATOM 0 HG21 ILE A 67 67.246 -3.488 1.884 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.196 -2.829 0.231 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.702 -2.748 1.176 1.00 1.00 H new ATOM 0 HD11 ILE A 67 67.068 -0.928 5.204 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.012 -0.206 3.967 1.00 1.00 H new ATOM 0 HD13 ILE A 67 66.055 -1.972 4.180 1.00 1.00 H new ATOM 995 N CYS A 68 68.143 -0.256 -1.530 1.00 1.00 N ATOM 996 CA CYS A 68 67.791 -0.532 -2.952 1.00 1.00 C ATOM 997 C CYS A 68 67.630 -2.042 -3.150 1.00 1.00 C ATOM 998 O CYS A 68 68.251 -2.832 -2.467 1.00 1.00 O ATOM 999 CB CYS A 68 68.911 -0.013 -3.862 1.00 1.00 C ATOM 1000 SG CYS A 68 70.324 -1.141 -3.783 1.00 1.00 S ATOM 0 H CYS A 68 69.070 0.144 -1.383 1.00 1.00 H new ATOM 0 HA CYS A 68 66.856 -0.030 -3.203 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.553 0.067 -4.888 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.213 0.987 -3.551 1.00 1.00 H new ATOM 0 HG CYS A 68 70.141 -1.999 -2.823 1.00 1.00 H new ATOM 1005 N PRO A 69 66.799 -2.451 -4.080 1.00 1.00 N ATOM 1006 CA PRO A 69 66.563 -3.899 -4.359 1.00 1.00 C ATOM 1007 C PRO A 69 67.868 -4.640 -4.670 1.00 1.00 C ATOM 1008 O PRO A 69 67.911 -5.854 -4.704 1.00 1.00 O ATOM 1009 CB PRO A 69 65.623 -3.910 -5.578 1.00 1.00 C ATOM 1010 CG PRO A 69 65.642 -2.519 -6.126 1.00 1.00 C ATOM 1011 CD PRO A 69 66.004 -1.590 -4.966 1.00 1.00 C ATOM 0 HA PRO A 69 66.137 -4.411 -3.496 1.00 1.00 H new ATOM 0 HB2 PRO A 69 65.961 -4.628 -6.325 1.00 1.00 H new ATOM 0 HB3 PRO A 69 64.613 -4.202 -5.289 1.00 1.00 H new ATOM 0 HG2 PRO A 69 66.370 -2.432 -6.933 1.00 1.00 H new ATOM 0 HG3 PRO A 69 64.670 -2.255 -6.544 1.00 1.00 H new ATOM 0 HD2 PRO A 69 66.575 -0.726 -5.306 1.00 1.00 H new ATOM 0 HD3 PRO A 69 65.115 -1.208 -4.464 1.00 1.00 H new ATOM 1019 N TRP A 70 68.932 -3.917 -4.889 1.00 1.00 N ATOM 1020 CA TRP A 70 70.233 -4.578 -5.187 1.00 1.00 C ATOM 1021 C TRP A 70 70.858 -5.057 -3.874 1.00 1.00 C ATOM 1022 O TRP A 70 71.718 -5.915 -3.857 1.00 1.00 O ATOM 1023 CB TRP A 70 71.169 -3.570 -5.872 1.00 1.00 C ATOM 1024 CG TRP A 70 72.014 -4.277 -6.883 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.937 -5.224 -6.598 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.030 -4.113 -8.331 1.00 1.00 C ATOM 1027 NE1 TRP A 70 73.519 -5.651 -7.777 1.00 1.00 N ATOM 1028 CE2 TRP A 70 72.994 -4.997 -8.873 1.00 1.00 C ATOM 1029 CE3 TRP A 70 71.311 -3.292 -9.217 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.235 -5.063 -10.248 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.550 -3.355 -10.598 1.00 1.00 C ATOM 1032 CH2 TRP A 70 72.509 -4.238 -11.113 1.00 1.00 C ATOM 0 H TRP A 70 68.956 -2.897 -4.874 1.00 1.00 H new ATOM 0 HA TRP A 70 70.077 -5.430 -5.849 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.585 -2.787 -6.355 1.00 1.00 H new ATOM 0 HB3 TRP A 70 71.802 -3.084 -5.130 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.180 -5.587 -5.610 1.00 1.00 H new ATOM 0 HE1 TRP A 70 74.248 -6.363 -7.830 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.569 -2.608 -8.832 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 73.975 -5.745 -10.639 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.991 -2.719 -11.269 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.687 -4.281 -12.177 1.00 1.00 H new ATOM 1043 N GLU A 71 70.427 -4.505 -2.772 1.00 1.00 N ATOM 1044 CA GLU A 71 70.987 -4.919 -1.454 1.00 1.00 C ATOM 1045 C GLU A 71 70.214 -6.132 -0.929 1.00 1.00 C ATOM 1046 O GLU A 71 70.663 -6.827 -0.041 1.00 1.00 O ATOM 1047 CB GLU A 71 70.855 -3.754 -0.463 1.00 1.00 C ATOM 1048 CG GLU A 71 72.163 -2.961 -0.428 1.00 1.00 C ATOM 1049 CD GLU A 71 71.908 -1.582 0.183 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.807 -1.079 0.025 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.817 -1.051 0.800 1.00 1.00 O ATOM 0 H GLU A 71 69.708 -3.782 -2.728 1.00 1.00 H new ATOM 0 HA GLU A 71 72.038 -5.185 -1.567 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.031 -3.104 -0.758 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.621 -4.134 0.532 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.910 -3.497 0.157 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.564 -2.855 -1.436 1.00 1.00 H new ATOM 1058 N ALA A 72 69.054 -6.389 -1.467 1.00 1.00 N ATOM 1059 CA ALA A 72 68.258 -7.555 -0.992 1.00 1.00 C ATOM 1060 C ALA A 72 69.070 -8.839 -1.178 1.00 1.00 C ATOM 1061 O ALA A 72 69.314 -9.275 -2.286 1.00 1.00 O ATOM 1062 CB ALA A 72 66.960 -7.650 -1.796 1.00 1.00 C ATOM 0 H ALA A 72 68.624 -5.843 -2.214 1.00 1.00 H new ATOM 0 HA ALA A 72 68.021 -7.426 0.064 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.378 -8.503 -1.448 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.381 -6.737 -1.661 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.195 -7.778 -2.853 1.00 1.00 H new ATOM 1068 N CYS A 73 69.488 -9.449 -0.102 1.00 1.00 N ATOM 1069 CA CYS A 73 70.281 -10.706 -0.215 1.00 1.00 C ATOM 1070 C CYS A 73 69.409 -11.803 -0.833 1.00 1.00 C ATOM 1071 O CYS A 73 69.057 -12.767 -0.184 1.00 1.00 O ATOM 1072 CB CYS A 73 70.741 -11.146 1.178 1.00 1.00 C ATOM 1073 SG CYS A 73 72.305 -10.330 1.584 1.00 1.00 S ATOM 0 H CYS A 73 69.314 -9.131 0.851 1.00 1.00 H new ATOM 0 HA CYS A 73 71.152 -10.532 -0.847 1.00 1.00 H new ATOM 0 HB2 CYS A 73 69.983 -10.893 1.920 1.00 1.00 H new ATOM 0 HB3 CYS A 73 70.865 -12.229 1.206 1.00 1.00 H new ATOM 0 HG CYS A 73 72.694 -10.702 2.767 1.00 1.00 H new ATOM 1078 N ASN A 74 69.055 -11.664 -2.083 1.00 1.00 N ATOM 1079 CA ASN A 74 68.203 -12.702 -2.733 1.00 1.00 C ATOM 1080 C ASN A 74 68.404 -12.661 -4.251 1.00 1.00 C ATOM 1081 O ASN A 74 67.763 -13.383 -4.989 1.00 1.00 O ATOM 1082 CB ASN A 74 66.731 -12.431 -2.410 1.00 1.00 C ATOM 1083 CG ASN A 74 66.585 -12.104 -0.923 1.00 1.00 C ATOM 1084 OD1 ASN A 74 66.878 -11.004 -0.499 1.00 1.00 O ATOM 1085 ND2 ASN A 74 66.141 -13.021 -0.106 1.00 1.00 N ATOM 0 H ASN A 74 69.318 -10.880 -2.680 1.00 1.00 H new ATOM 0 HA ASN A 74 68.486 -13.685 -2.357 1.00 1.00 H new ATOM 0 HB2 ASN A 74 66.362 -11.601 -3.013 1.00 1.00 H new ATOM 0 HB3 ASN A 74 66.126 -13.302 -2.662 1.00 1.00 H new ATOM 0 HD21 ASN A 74 66.040 -12.813 0.888 1.00 1.00 H new ATOM 0 HD22 ASN A 74 65.895 -13.945 -0.461 1.00 1.00 H new ATOM 1092 N HIS A 75 69.286 -11.824 -4.725 1.00 1.00 N ATOM 1093 CA HIS A 75 69.520 -11.744 -6.195 1.00 1.00 C ATOM 1094 C HIS A 75 70.894 -11.128 -6.462 1.00 1.00 C ATOM 1095 O HIS A 75 71.010 -9.957 -6.762 1.00 1.00 O ATOM 1096 CB HIS A 75 68.440 -10.869 -6.839 1.00 1.00 C ATOM 1097 CG HIS A 75 67.170 -11.662 -6.980 1.00 1.00 C ATOM 1098 ND1 HIS A 75 67.137 -12.902 -7.599 1.00 1.00 N ATOM 1099 CD2 HIS A 75 65.878 -11.403 -6.587 1.00 1.00 C ATOM 1100 CE1 HIS A 75 65.867 -13.343 -7.562 1.00 1.00 C ATOM 1101 NE2 HIS A 75 65.061 -12.467 -6.957 1.00 1.00 N ATOM 0 H HIS A 75 69.854 -11.193 -4.159 1.00 1.00 H new ATOM 0 HA HIS A 75 69.480 -12.746 -6.621 1.00 1.00 H new ATOM 0 HB2 HIS A 75 68.263 -9.984 -6.229 1.00 1.00 H new ATOM 0 HB3 HIS A 75 68.774 -10.521 -7.816 1.00 1.00 H new ATOM 0 HD2 HIS A 75 65.549 -10.513 -6.072 1.00 1.00 H new ATOM 0 HE1 HIS A 75 65.540 -14.288 -7.971 1.00 1.00 H new ATOM 0 HE2 HIS A 75 64.057 -12.559 -6.799 1.00 1.00 H new ATOM 1110 N CYS A 76 71.935 -11.906 -6.359 1.00 1.00 N ATOM 1111 CA CYS A 76 73.297 -11.362 -6.611 1.00 1.00 C ATOM 1112 C CYS A 76 74.222 -12.497 -7.051 1.00 1.00 C ATOM 1113 O CYS A 76 73.777 -13.544 -7.479 1.00 1.00 O ATOM 1114 CB CYS A 76 73.838 -10.726 -5.327 1.00 1.00 C ATOM 1115 SG CYS A 76 75.047 -9.447 -5.750 1.00 1.00 S ATOM 0 H CYS A 76 71.901 -12.895 -6.111 1.00 1.00 H new ATOM 0 HA CYS A 76 73.250 -10.607 -7.396 1.00 1.00 H new ATOM 0 HB2 CYS A 76 73.021 -10.292 -4.751 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.302 -11.487 -4.699 1.00 1.00 H new ATOM 0 HG CYS A 76 75.505 -8.905 -4.661 1.00 1.00 H new ATOM 1120 N GLU A 77 75.503 -12.297 -6.950 1.00 1.00 N ATOM 1121 CA GLU A 77 76.460 -13.363 -7.360 1.00 1.00 C ATOM 1122 C GLU A 77 76.438 -14.494 -6.328 1.00 1.00 C ATOM 1123 O GLU A 77 75.762 -15.489 -6.499 1.00 1.00 O ATOM 1124 CB GLU A 77 77.871 -12.779 -7.450 1.00 1.00 C ATOM 1125 CG GLU A 77 78.835 -13.851 -7.963 1.00 1.00 C ATOM 1126 CD GLU A 77 80.220 -13.235 -8.171 1.00 1.00 C ATOM 1127 OE1 GLU A 77 80.369 -12.055 -7.899 1.00 1.00 O ATOM 1128 OE2 GLU A 77 81.108 -13.954 -8.598 1.00 1.00 O ATOM 0 H GLU A 77 75.932 -11.440 -6.601 1.00 1.00 H new ATOM 0 HA GLU A 77 76.169 -13.755 -8.334 1.00 1.00 H new ATOM 0 HB2 GLU A 77 77.878 -11.918 -8.119 1.00 1.00 H new ATOM 0 HB3 GLU A 77 78.192 -12.424 -6.471 1.00 1.00 H new ATOM 0 HG2 GLU A 77 78.894 -14.673 -7.250 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.466 -14.268 -8.900 1.00 1.00 H new ATOM 1135 N LEU A 78 77.174 -14.348 -5.257 1.00 1.00 N ATOM 1136 CA LEU A 78 77.202 -15.411 -4.209 1.00 1.00 C ATOM 1137 C LEU A 78 77.159 -14.752 -2.823 1.00 1.00 C ATOM 1138 O LEU A 78 76.663 -13.655 -2.667 1.00 1.00 O ATOM 1139 CB LEU A 78 78.488 -16.235 -4.362 1.00 1.00 C ATOM 1140 CG LEU A 78 78.284 -17.306 -5.435 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.628 -17.643 -6.084 1.00 1.00 C ATOM 1142 CD2 LEU A 78 77.700 -18.566 -4.791 1.00 1.00 C ATOM 0 H LEU A 78 77.759 -13.535 -5.063 1.00 1.00 H new ATOM 0 HA LEU A 78 76.340 -16.069 -4.319 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.319 -15.585 -4.636 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.748 -16.702 -3.412 1.00 1.00 H new ATOM 0 HG LEU A 78 77.598 -16.932 -6.195 1.00 1.00 H new ATOM 0 HD11 LEU A 78 79.482 -18.406 -6.848 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.046 -16.746 -6.542 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.315 -18.017 -5.325 1.00 1.00 H new ATOM 0 HD21 LEU A 78 77.554 -19.330 -5.554 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.387 -18.938 -4.031 1.00 1.00 H new ATOM 0 HD23 LEU A 78 76.742 -18.328 -4.328 1.00 1.00 H new