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 -140:sc= 0.087 USER MOD Single : A 62 THR OG1 : rot -62:sc= 0.725 USER MOD Single : A 65 THR OG1 : rot 92:sc= -0.199! USER MOD Single : A 68 CYS SG : rot 45:sc= -0.407 USER MOD Single : A 73 CYS SG : rot 180:sc= 0.679 USER MOD Single : A 74 ASN : amide:sc= -0.0933 K(o=-0.093,f=-2.5!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 CYS SG : rot 10:sc= -1.2! USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 74.284 4.672 14.913 1.00 1.00 N ATOM 878 CA GLY A 59 73.689 5.392 13.751 1.00 1.00 C ATOM 879 C GLY A 59 72.839 4.427 12.923 1.00 1.00 C ATOM 880 O GLY A 59 71.738 4.747 12.519 1.00 1.00 O ATOM 0 HA2 GLY A 59 73.076 6.222 14.101 1.00 1.00 H new ATOM 0 HA3 GLY A 59 74.479 5.818 13.132 1.00 1.00 H new ATOM 884 N CYS A 60 73.340 3.251 12.661 1.00 1.00 N ATOM 885 CA CYS A 60 72.558 2.271 11.853 1.00 1.00 C ATOM 886 C CYS A 60 71.640 1.466 12.776 1.00 1.00 C ATOM 887 O CYS A 60 70.436 1.625 12.764 1.00 1.00 O ATOM 888 CB CYS A 60 73.520 1.323 11.124 1.00 1.00 C ATOM 889 SG CYS A 60 75.206 1.972 11.237 1.00 1.00 S ATOM 0 H CYS A 60 74.256 2.926 12.971 1.00 1.00 H new ATOM 0 HA CYS A 60 71.954 2.804 11.119 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.471 0.328 11.566 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.227 1.223 10.079 1.00 1.00 H new ATOM 0 HG CYS A 60 75.816 1.794 10.103 1.00 1.00 H new ATOM 894 N GLY A 61 72.202 0.601 13.573 1.00 1.00 N ATOM 895 CA GLY A 61 71.371 -0.223 14.499 1.00 1.00 C ATOM 896 C GLY A 61 71.966 -1.628 14.594 1.00 1.00 C ATOM 897 O GLY A 61 71.268 -2.595 14.823 1.00 1.00 O ATOM 0 H GLY A 61 73.206 0.427 13.624 1.00 1.00 H new ATOM 0 HA2 GLY A 61 71.339 0.239 15.486 1.00 1.00 H new ATOM 0 HA3 GLY A 61 70.344 -0.274 14.137 1.00 1.00 H new ATOM 901 N THR A 62 73.254 -1.746 14.414 1.00 1.00 N ATOM 902 CA THR A 62 73.904 -3.085 14.488 1.00 1.00 C ATOM 903 C THR A 62 73.267 -4.024 13.461 1.00 1.00 C ATOM 904 O THR A 62 73.647 -5.171 13.338 1.00 1.00 O ATOM 905 CB THR A 62 73.728 -3.669 15.891 1.00 1.00 C ATOM 906 OG1 THR A 62 72.436 -4.248 16.002 1.00 1.00 O ATOM 907 CG2 THR A 62 73.883 -2.559 16.932 1.00 1.00 C ATOM 0 H THR A 62 73.886 -0.969 14.218 1.00 1.00 H new ATOM 0 HA THR A 62 74.967 -2.979 14.272 1.00 1.00 H new ATOM 0 HB THR A 62 74.486 -4.433 16.064 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.755 -3.554 15.880 1.00 1.00 H new ATOM 0 HG21 THR A 62 73.757 -2.977 17.931 1.00 1.00 H new ATOM 0 HG22 THR A 62 74.875 -2.116 16.846 1.00 1.00 H new ATOM 0 HG23 THR A 62 73.127 -1.792 16.762 1.00 1.00 H new ATOM 915 N ASP A 63 72.304 -3.547 12.719 1.00 1.00 N ATOM 916 CA ASP A 63 71.655 -4.417 11.700 1.00 1.00 C ATOM 917 C ASP A 63 72.658 -4.712 10.585 1.00 1.00 C ATOM 918 O ASP A 63 72.324 -5.298 9.574 1.00 1.00 O ATOM 919 CB ASP A 63 70.435 -3.702 11.117 1.00 1.00 C ATOM 920 CG ASP A 63 69.590 -4.699 10.321 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.055 -5.808 10.116 1.00 1.00 O ATOM 922 OD2 ASP A 63 68.493 -4.336 9.931 1.00 1.00 O ATOM 0 H ASP A 63 71.941 -2.596 12.775 1.00 1.00 H new ATOM 0 HA ASP A 63 71.335 -5.350 12.163 1.00 1.00 H new ATOM 0 HB2 ASP A 63 69.840 -3.263 11.918 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.754 -2.883 10.472 1.00 1.00 H new ATOM 927 N ILE A 64 73.888 -4.307 10.766 1.00 1.00 N ATOM 928 CA ILE A 64 74.928 -4.555 9.725 1.00 1.00 C ATOM 929 C ILE A 64 75.913 -5.609 10.239 1.00 1.00 C ATOM 930 O ILE A 64 75.687 -6.796 10.118 1.00 1.00 O ATOM 931 CB ILE A 64 75.682 -3.252 9.440 1.00 1.00 C ATOM 932 CG1 ILE A 64 74.680 -2.154 9.077 1.00 1.00 C ATOM 933 CG2 ILE A 64 76.648 -3.465 8.273 1.00 1.00 C ATOM 934 CD1 ILE A 64 75.374 -0.791 9.131 1.00 1.00 C ATOM 0 H ILE A 64 74.218 -3.813 11.595 1.00 1.00 H new ATOM 0 HA ILE A 64 74.454 -4.910 8.810 1.00 1.00 H new ATOM 0 HB ILE A 64 76.243 -2.956 10.326 1.00 1.00 H new ATOM 0 HG12 ILE A 64 74.277 -2.330 8.079 1.00 1.00 H new ATOM 0 HG13 ILE A 64 73.838 -2.173 9.768 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.184 -2.538 8.071 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.361 -4.248 8.530 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.088 -3.761 7.386 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.660 -0.009 8.872 1.00 1.00 H new ATOM 0 HD12 ILE A 64 75.755 -0.616 10.137 1.00 1.00 H new ATOM 0 HD13 ILE A 64 76.202 -0.776 8.422 1.00 1.00 H new ATOM 946 N THR A 65 77.001 -5.169 10.811 1.00 1.00 N ATOM 947 CA THR A 65 78.030 -6.111 11.353 1.00 1.00 C ATOM 948 C THR A 65 78.963 -6.564 10.226 1.00 1.00 C ATOM 949 O THR A 65 78.995 -7.723 9.867 1.00 1.00 O ATOM 950 CB THR A 65 77.344 -7.332 11.986 1.00 1.00 C ATOM 951 OG1 THR A 65 76.099 -6.937 12.543 1.00 1.00 O ATOM 952 CG2 THR A 65 78.237 -7.909 13.086 1.00 1.00 C ATOM 0 H THR A 65 77.226 -4.181 10.929 1.00 1.00 H new ATOM 0 HA THR A 65 78.614 -5.598 12.117 1.00 1.00 H new ATOM 0 HB THR A 65 77.177 -8.091 11.222 1.00 1.00 H new ATOM 0 HG1 THR A 65 75.390 -7.054 11.876 1.00 1.00 H new ATOM 0 HG21 THR A 65 77.749 -8.775 13.534 1.00 1.00 H new ATOM 0 HG22 THR A 65 79.192 -8.212 12.657 1.00 1.00 H new ATOM 0 HG23 THR A 65 78.407 -7.152 13.851 1.00 1.00 H new ATOM 960 N VAL A 66 79.724 -5.655 9.670 1.00 1.00 N ATOM 961 CA VAL A 66 80.660 -6.021 8.563 1.00 1.00 C ATOM 962 C VAL A 66 79.849 -6.478 7.350 1.00 1.00 C ATOM 963 O VAL A 66 79.992 -5.957 6.262 1.00 1.00 O ATOM 964 CB VAL A 66 81.593 -7.147 9.018 1.00 1.00 C ATOM 965 CG1 VAL A 66 82.786 -7.240 8.064 1.00 1.00 C ATOM 966 CG2 VAL A 66 82.095 -6.851 10.433 1.00 1.00 C ATOM 0 H VAL A 66 79.737 -4.671 9.937 1.00 1.00 H new ATOM 0 HA VAL A 66 81.262 -5.153 8.294 1.00 1.00 H new ATOM 0 HB VAL A 66 81.050 -8.092 9.013 1.00 1.00 H new ATOM 0 HG11 VAL A 66 83.450 -8.042 8.388 1.00 1.00 H new ATOM 0 HG12 VAL A 66 82.430 -7.450 7.055 1.00 1.00 H new ATOM 0 HG13 VAL A 66 83.329 -6.295 8.068 1.00 1.00 H new ATOM 0 HG21 VAL A 66 82.759 -7.652 10.758 1.00 1.00 H new ATOM 0 HG22 VAL A 66 82.637 -5.906 10.436 1.00 1.00 H new ATOM 0 HG23 VAL A 66 81.246 -6.785 11.114 1.00 1.00 H new ATOM 976 N ILE A 67 78.984 -7.436 7.539 1.00 1.00 N ATOM 977 CA ILE A 67 78.135 -7.928 6.417 1.00 1.00 C ATOM 978 C ILE A 67 76.682 -7.903 6.875 1.00 1.00 C ATOM 979 O ILE A 67 76.274 -8.676 7.718 1.00 1.00 O ATOM 980 CB ILE A 67 78.523 -9.362 6.045 1.00 1.00 C ATOM 981 CG1 ILE A 67 79.847 -9.348 5.278 1.00 1.00 C ATOM 982 CG2 ILE A 67 77.432 -9.975 5.165 1.00 1.00 C ATOM 983 CD1 ILE A 67 80.424 -10.764 5.229 1.00 1.00 C ATOM 0 H ILE A 67 78.828 -7.904 8.432 1.00 1.00 H new ATOM 0 HA ILE A 67 78.276 -7.292 5.543 1.00 1.00 H new ATOM 0 HB ILE A 67 78.633 -9.955 6.953 1.00 1.00 H new ATOM 0 HG12 ILE A 67 79.690 -8.973 4.267 1.00 1.00 H new ATOM 0 HG13 ILE A 67 80.553 -8.673 5.762 1.00 1.00 H new ATOM 0 HG21 ILE A 67 77.709 -10.996 4.900 1.00 1.00 H new ATOM 0 HG22 ILE A 67 76.488 -9.984 5.710 1.00 1.00 H new ATOM 0 HG23 ILE A 67 77.321 -9.382 4.257 1.00 1.00 H new ATOM 0 HD11 ILE A 67 81.367 -10.754 4.683 1.00 1.00 H new ATOM 0 HD12 ILE A 67 80.596 -11.122 6.244 1.00 1.00 H new ATOM 0 HD13 ILE A 67 79.720 -11.427 4.725 1.00 1.00 H new ATOM 995 N CYS A 68 75.900 -7.019 6.335 1.00 1.00 N ATOM 996 CA CYS A 68 74.475 -6.947 6.753 1.00 1.00 C ATOM 997 C CYS A 68 73.758 -8.235 6.331 1.00 1.00 C ATOM 998 O CYS A 68 73.841 -8.650 5.192 1.00 1.00 O ATOM 999 CB CYS A 68 73.814 -5.744 6.081 1.00 1.00 C ATOM 1000 SG CYS A 68 74.222 -5.736 4.318 1.00 1.00 S ATOM 0 H CYS A 68 76.182 -6.344 5.624 1.00 1.00 H new ATOM 0 HA CYS A 68 74.412 -6.837 7.836 1.00 1.00 H new ATOM 0 HB2 CYS A 68 72.733 -5.788 6.215 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.155 -4.820 6.548 1.00 1.00 H new ATOM 0 HG CYS A 68 74.087 -6.936 3.836 1.00 1.00 H new ATOM 1005 N PRO A 69 73.063 -8.877 7.242 1.00 1.00 N ATOM 1006 CA PRO A 69 72.337 -10.146 6.942 1.00 1.00 C ATOM 1007 C PRO A 69 71.070 -9.906 6.118 1.00 1.00 C ATOM 1008 O PRO A 69 70.599 -10.781 5.419 1.00 1.00 O ATOM 1009 CB PRO A 69 71.987 -10.698 8.326 1.00 1.00 C ATOM 1010 CG PRO A 69 71.904 -9.496 9.209 1.00 1.00 C ATOM 1011 CD PRO A 69 72.891 -8.469 8.646 1.00 1.00 C ATOM 0 HA PRO A 69 72.939 -10.829 6.343 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.042 -11.241 8.308 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.748 -11.395 8.678 1.00 1.00 H new ATOM 0 HG2 PRO A 69 70.891 -9.093 9.221 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.157 -9.753 10.238 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.499 -7.455 8.722 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.838 -8.487 9.186 1.00 1.00 H new ATOM 1019 N TRP A 70 70.516 -8.727 6.190 1.00 1.00 N ATOM 1020 CA TRP A 70 69.284 -8.442 5.405 1.00 1.00 C ATOM 1021 C TRP A 70 69.676 -8.156 3.952 1.00 1.00 C ATOM 1022 O TRP A 70 68.835 -7.985 3.093 1.00 1.00 O ATOM 1023 CB TRP A 70 68.544 -7.239 6.026 1.00 1.00 C ATOM 1024 CG TRP A 70 68.733 -6.031 5.166 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.081 -5.794 4.005 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.620 -4.893 5.377 1.00 1.00 C ATOM 1027 NE1 TRP A 70 68.509 -4.585 3.489 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.457 -3.991 4.297 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.538 -4.559 6.387 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.183 -2.799 4.226 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.268 -3.364 6.318 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.092 -2.485 5.241 1.00 1.00 C ATOM 0 H TRP A 70 70.862 -7.952 6.756 1.00 1.00 H new ATOM 0 HA TRP A 70 68.614 -9.302 5.426 1.00 1.00 H new ATOM 0 HB2 TRP A 70 67.482 -7.465 6.124 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.923 -7.045 7.030 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.345 -6.444 3.554 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.166 -4.181 2.617 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.682 -5.228 7.223 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.043 -2.125 3.393 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 71.971 -3.119 7.100 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.658 -1.566 5.195 1.00 1.00 H new ATOM 1043 N GLU A 71 70.951 -8.115 3.666 1.00 1.00 N ATOM 1044 CA GLU A 71 71.389 -7.848 2.268 1.00 1.00 C ATOM 1045 C GLU A 71 72.787 -8.436 2.057 1.00 1.00 C ATOM 1046 O GLU A 71 73.753 -7.725 1.869 1.00 1.00 O ATOM 1047 CB GLU A 71 71.408 -6.331 2.028 1.00 1.00 C ATOM 1048 CG GLU A 71 72.006 -6.031 0.652 1.00 1.00 C ATOM 1049 CD GLU A 71 71.573 -7.112 -0.340 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.381 -7.226 -0.578 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.439 -7.807 -0.845 1.00 1.00 O ATOM 0 H GLU A 71 71.705 -8.255 4.339 1.00 1.00 H new ATOM 0 HA GLU A 71 70.699 -8.312 1.563 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.396 -5.931 2.090 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.993 -5.838 2.804 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.676 -5.052 0.306 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.094 -5.996 0.716 1.00 1.00 H new ATOM 1058 N ALA A 72 72.902 -9.736 2.091 1.00 1.00 N ATOM 1059 CA ALA A 72 74.235 -10.373 1.894 1.00 1.00 C ATOM 1060 C ALA A 72 74.587 -10.367 0.405 1.00 1.00 C ATOM 1061 O ALA A 72 74.660 -11.401 -0.228 1.00 1.00 O ATOM 1062 CB ALA A 72 74.193 -11.815 2.404 1.00 1.00 C ATOM 0 H ALA A 72 72.130 -10.384 2.247 1.00 1.00 H new ATOM 0 HA ALA A 72 74.990 -9.815 2.448 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.168 -12.280 2.260 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.943 -11.819 3.465 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.438 -12.375 1.851 1.00 1.00 H new ATOM 1068 N CYS A 73 74.803 -9.211 -0.162 1.00 1.00 N ATOM 1069 CA CYS A 73 75.147 -9.146 -1.610 1.00 1.00 C ATOM 1070 C CYS A 73 76.390 -9.997 -1.880 1.00 1.00 C ATOM 1071 O CYS A 73 76.808 -10.162 -3.009 1.00 1.00 O ATOM 1072 CB CYS A 73 75.424 -7.693 -2.003 1.00 1.00 C ATOM 1073 SG CYS A 73 76.923 -7.116 -1.168 1.00 1.00 S ATOM 0 H CYS A 73 74.756 -8.310 0.315 1.00 1.00 H new ATOM 0 HA CYS A 73 74.313 -9.528 -2.199 1.00 1.00 H new ATOM 0 HB2 CYS A 73 75.544 -7.614 -3.084 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.577 -7.063 -1.729 1.00 1.00 H new ATOM 0 HG CYS A 73 77.159 -5.883 -1.504 1.00 1.00 H new ATOM 1078 N ASN A 74 76.981 -10.545 -0.853 1.00 1.00 N ATOM 1079 CA ASN A 74 78.194 -11.391 -1.050 1.00 1.00 C ATOM 1080 C ASN A 74 79.262 -10.593 -1.800 1.00 1.00 C ATOM 1081 O ASN A 74 79.478 -10.784 -2.980 1.00 1.00 O ATOM 1082 CB ASN A 74 77.823 -12.635 -1.862 1.00 1.00 C ATOM 1083 CG ASN A 74 78.934 -13.679 -1.735 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.995 -13.394 -1.215 1.00 1.00 O ATOM 1085 ND2 ASN A 74 78.735 -14.885 -2.192 1.00 1.00 N ATOM 0 H ASN A 74 76.676 -10.444 0.115 1.00 1.00 H new ATOM 0 HA ASN A 74 78.585 -11.693 -0.078 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.880 -13.047 -1.504 1.00 1.00 H new ATOM 0 HB3 ASN A 74 77.678 -12.369 -2.909 1.00 1.00 H new ATOM 0 HD21 ASN A 74 79.470 -15.588 -2.113 1.00 1.00 H new ATOM 0 HD22 ASN A 74 77.845 -15.125 -2.628 1.00 1.00 H new ATOM 1092 N HIS A 75 79.931 -9.700 -1.125 1.00 1.00 N ATOM 1093 CA HIS A 75 80.984 -8.891 -1.801 1.00 1.00 C ATOM 1094 C HIS A 75 80.413 -8.294 -3.093 1.00 1.00 C ATOM 1095 O HIS A 75 81.009 -8.386 -4.144 1.00 1.00 O ATOM 1096 CB HIS A 75 82.192 -9.790 -2.115 1.00 1.00 C ATOM 1097 CG HIS A 75 83.261 -9.571 -1.080 1.00 1.00 C ATOM 1098 ND1 HIS A 75 84.357 -8.753 -1.310 1.00 1.00 N ATOM 1099 CD2 HIS A 75 83.415 -10.055 0.197 1.00 1.00 C ATOM 1100 CE1 HIS A 75 85.117 -8.768 -0.201 1.00 1.00 C ATOM 1101 NE2 HIS A 75 84.588 -9.545 0.746 1.00 1.00 N ATOM 0 H HIS A 75 79.794 -9.495 -0.135 1.00 1.00 H new ATOM 0 HA HIS A 75 81.307 -8.079 -1.149 1.00 1.00 H new ATOM 0 HB2 HIS A 75 81.888 -10.837 -2.123 1.00 1.00 H new ATOM 0 HB3 HIS A 75 82.580 -9.563 -3.108 1.00 1.00 H new ATOM 0 HD2 HIS A 75 82.732 -10.726 0.697 1.00 1.00 H new ATOM 0 HE1 HIS A 75 86.041 -8.219 -0.090 1.00 1.00 H new ATOM 0 HE2 HIS A 75 84.964 -9.727 1.677 1.00 1.00 H new ATOM 1110 N CYS A 76 79.262 -7.676 -3.008 1.00 1.00 N ATOM 1111 CA CYS A 76 78.629 -7.052 -4.209 1.00 1.00 C ATOM 1112 C CYS A 76 78.843 -7.937 -5.441 1.00 1.00 C ATOM 1113 O CYS A 76 79.930 -8.031 -5.972 1.00 1.00 O ATOM 1114 CB CYS A 76 79.250 -5.674 -4.454 1.00 1.00 C ATOM 1115 SG CYS A 76 80.991 -5.869 -4.910 1.00 1.00 S ATOM 0 H CYS A 76 78.727 -7.576 -2.145 1.00 1.00 H new ATOM 0 HA CYS A 76 77.559 -6.947 -4.032 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.711 -5.156 -5.247 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.164 -5.060 -3.557 1.00 1.00 H new ATOM 0 HG CYS A 76 81.243 -7.125 -5.132 1.00 1.00 H new ATOM 1120 N GLU A 77 77.807 -8.576 -5.911 1.00 1.00 N ATOM 1121 CA GLU A 77 77.950 -9.443 -7.116 1.00 1.00 C ATOM 1122 C GLU A 77 78.413 -8.593 -8.305 1.00 1.00 C ATOM 1123 O GLU A 77 77.618 -7.992 -8.999 1.00 1.00 O ATOM 1124 CB GLU A 77 76.599 -10.087 -7.443 1.00 1.00 C ATOM 1125 CG GLU A 77 75.484 -9.052 -7.280 1.00 1.00 C ATOM 1126 CD GLU A 77 74.970 -9.078 -5.839 1.00 1.00 C ATOM 1127 OE1 GLU A 77 75.729 -9.468 -4.967 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.826 -8.707 -5.632 1.00 1.00 O ATOM 0 H GLU A 77 76.868 -8.536 -5.514 1.00 1.00 H new ATOM 0 HA GLU A 77 78.686 -10.222 -6.919 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.606 -10.472 -8.463 1.00 1.00 H new ATOM 0 HB3 GLU A 77 76.420 -10.936 -6.783 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.857 -8.058 -7.526 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.670 -9.267 -7.972 1.00 1.00 H new ATOM 1135 N LEU A 78 79.695 -8.537 -8.544 1.00 1.00 N ATOM 1136 CA LEU A 78 80.212 -7.725 -9.684 1.00 1.00 C ATOM 1137 C LEU A 78 79.537 -6.352 -9.683 1.00 1.00 C ATOM 1138 O LEU A 78 79.765 -5.538 -8.810 1.00 1.00 O ATOM 1139 CB LEU A 78 79.913 -8.436 -11.008 1.00 1.00 C ATOM 1140 CG LEU A 78 80.653 -9.774 -11.054 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.708 -10.896 -10.623 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.139 -10.038 -12.480 1.00 1.00 C ATOM 0 H LEU A 78 80.409 -9.019 -7.998 1.00 1.00 H new ATOM 0 HA LEU A 78 81.290 -7.603 -9.575 1.00 1.00 H new ATOM 0 HB2 LEU A 78 78.840 -8.599 -11.110 1.00 1.00 H new ATOM 0 HB3 LEU A 78 80.221 -7.810 -11.846 1.00 1.00 H new ATOM 0 HG LEU A 78 81.507 -9.739 -10.378 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.236 -11.849 -10.656 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.360 -10.709 -9.607 1.00 1.00 H new ATOM 0 HD13 LEU A 78 78.853 -10.931 -11.298 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.667 -10.991 -12.514 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.284 -10.072 -13.155 1.00 1.00 H new ATOM 0 HD23 LEU A 78 81.813 -9.239 -12.788 1.00 1.00 H new