USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=7 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 Set 1.1: A 74 ASN :FLIP amide:sc= -3.03! C(o=-14!,f=-7.4!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -4.34! C(o=-7.4!,f=-7.9!) USER MOD Single : A 60 CYS SG : rot 6:sc= 0.311 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 12:sc= -0.396 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 85.372 8.330 3.484 1.00 1.00 N ATOM 878 CA GLY A 59 85.890 6.999 3.913 1.00 1.00 C ATOM 879 C GLY A 59 84.716 6.051 4.163 1.00 1.00 C ATOM 880 O GLY A 59 83.787 6.373 4.878 1.00 1.00 O ATOM 0 HA2 GLY A 59 86.546 6.588 3.146 1.00 1.00 H new ATOM 0 HA3 GLY A 59 86.486 7.104 4.820 1.00 1.00 H new ATOM 884 N CYS A 60 84.747 4.884 3.578 1.00 1.00 N ATOM 885 CA CYS A 60 83.629 3.918 3.781 1.00 1.00 C ATOM 886 C CYS A 60 84.147 2.490 3.602 1.00 1.00 C ATOM 887 O CYS A 60 84.442 1.802 4.559 1.00 1.00 O ATOM 888 CB CYS A 60 82.526 4.193 2.757 1.00 1.00 C ATOM 889 SG CYS A 60 81.658 5.718 3.200 1.00 1.00 S ATOM 0 H CYS A 60 85.497 4.558 2.969 1.00 1.00 H new ATOM 0 HA CYS A 60 83.228 4.034 4.788 1.00 1.00 H new ATOM 0 HB2 CYS A 60 82.956 4.283 1.759 1.00 1.00 H new ATOM 0 HB3 CYS A 60 81.825 3.358 2.728 1.00 1.00 H new ATOM 0 HG CYS A 60 82.262 6.286 4.201 1.00 1.00 H new ATOM 894 N GLY A 61 84.260 2.037 2.382 1.00 1.00 N ATOM 895 CA GLY A 61 84.758 0.651 2.142 1.00 1.00 C ATOM 896 C GLY A 61 84.176 0.113 0.832 1.00 1.00 C ATOM 897 O GLY A 61 83.409 -0.829 0.824 1.00 1.00 O ATOM 0 H GLY A 61 84.029 2.566 1.541 1.00 1.00 H new ATOM 0 HA2 GLY A 61 85.847 0.649 2.095 1.00 1.00 H new ATOM 0 HA3 GLY A 61 84.473 0.003 2.971 1.00 1.00 H new ATOM 901 N THR A 62 84.537 0.701 -0.276 1.00 1.00 N ATOM 902 CA THR A 62 84.006 0.218 -1.583 1.00 1.00 C ATOM 903 C THR A 62 84.669 -1.111 -1.939 1.00 1.00 C ATOM 904 O THR A 62 85.528 -1.176 -2.796 1.00 1.00 O ATOM 905 CB THR A 62 84.316 1.250 -2.672 1.00 1.00 C ATOM 906 OG1 THR A 62 85.606 1.800 -2.447 1.00 1.00 O ATOM 907 CG2 THR A 62 83.269 2.365 -2.634 1.00 1.00 C ATOM 0 H THR A 62 85.176 1.494 -0.333 1.00 1.00 H new ATOM 0 HA THR A 62 82.927 0.080 -1.510 1.00 1.00 H new ATOM 0 HB THR A 62 84.292 0.767 -3.649 1.00 1.00 H new ATOM 0 HG1 THR A 62 85.807 2.459 -3.144 1.00 1.00 H new ATOM 0 HG21 THR A 62 83.490 3.099 -3.409 1.00 1.00 H new ATOM 0 HG22 THR A 62 82.280 1.941 -2.807 1.00 1.00 H new ATOM 0 HG23 THR A 62 83.290 2.851 -1.658 1.00 1.00 H new ATOM 915 N ASP A 63 84.279 -2.176 -1.293 1.00 1.00 N ATOM 916 CA ASP A 63 84.893 -3.494 -1.606 1.00 1.00 C ATOM 917 C ASP A 63 84.877 -3.701 -3.122 1.00 1.00 C ATOM 918 O ASP A 63 85.876 -4.054 -3.717 1.00 1.00 O ATOM 919 CB ASP A 63 84.098 -4.607 -0.920 1.00 1.00 C ATOM 920 CG ASP A 63 84.563 -5.967 -1.444 1.00 1.00 C ATOM 921 OD1 ASP A 63 85.762 -6.189 -1.476 1.00 1.00 O ATOM 922 OD2 ASP A 63 83.712 -6.764 -1.803 1.00 1.00 O ATOM 0 H ASP A 63 83.565 -2.189 -0.565 1.00 1.00 H new ATOM 0 HA ASP A 63 85.921 -3.520 -1.244 1.00 1.00 H new ATOM 0 HB2 ASP A 63 84.237 -4.555 0.160 1.00 1.00 H new ATOM 0 HB3 ASP A 63 83.033 -4.477 -1.111 1.00 1.00 H new ATOM 927 N ILE A 64 83.756 -3.465 -3.758 1.00 1.00 N ATOM 928 CA ILE A 64 83.694 -3.630 -5.239 1.00 1.00 C ATOM 929 C ILE A 64 83.821 -2.248 -5.887 1.00 1.00 C ATOM 930 O ILE A 64 84.898 -1.826 -6.261 1.00 1.00 O ATOM 931 CB ILE A 64 82.372 -4.321 -5.640 1.00 1.00 C ATOM 932 CG1 ILE A 64 82.578 -5.837 -5.664 1.00 1.00 C ATOM 933 CG2 ILE A 64 81.947 -3.844 -7.030 1.00 1.00 C ATOM 934 CD1 ILE A 64 83.662 -6.190 -6.684 1.00 1.00 C ATOM 0 H ILE A 64 82.886 -3.167 -3.316 1.00 1.00 H new ATOM 0 HA ILE A 64 84.511 -4.262 -5.586 1.00 1.00 H new ATOM 0 HB ILE A 64 81.596 -4.069 -4.917 1.00 1.00 H new ATOM 0 HG12 ILE A 64 82.866 -6.191 -4.674 1.00 1.00 H new ATOM 0 HG13 ILE A 64 81.645 -6.337 -5.922 1.00 1.00 H new ATOM 0 HG21 ILE A 64 81.014 -4.332 -7.313 1.00 1.00 H new ATOM 0 HG22 ILE A 64 81.802 -2.764 -7.015 1.00 1.00 H new ATOM 0 HG23 ILE A 64 82.722 -4.096 -7.754 1.00 1.00 H new ATOM 0 HD11 ILE A 64 83.808 -7.270 -6.701 1.00 1.00 H new ATOM 0 HD12 ILE A 64 83.355 -5.850 -7.673 1.00 1.00 H new ATOM 0 HD13 ILE A 64 84.596 -5.702 -6.406 1.00 1.00 H new ATOM 946 N THR A 65 82.736 -1.541 -6.001 1.00 1.00 N ATOM 947 CA THR A 65 82.764 -0.178 -6.606 1.00 1.00 C ATOM 948 C THR A 65 81.327 0.335 -6.653 1.00 1.00 C ATOM 949 O THR A 65 81.047 1.480 -6.358 1.00 1.00 O ATOM 950 CB THR A 65 83.356 -0.227 -8.026 1.00 1.00 C ATOM 951 OG1 THR A 65 83.720 1.085 -8.431 1.00 1.00 O ATOM 952 CG2 THR A 65 82.316 -0.792 -8.995 1.00 1.00 C ATOM 0 H THR A 65 81.814 -1.852 -5.696 1.00 1.00 H new ATOM 0 HA THR A 65 83.390 0.486 -6.010 1.00 1.00 H new ATOM 0 HB THR A 65 84.238 -0.867 -8.030 1.00 1.00 H new ATOM 0 HG1 THR A 65 84.099 1.055 -9.334 1.00 1.00 H new ATOM 0 HG21 THR A 65 82.736 -0.826 -10.000 1.00 1.00 H new ATOM 0 HG22 THR A 65 82.038 -1.799 -8.684 1.00 1.00 H new ATOM 0 HG23 THR A 65 81.432 -0.154 -8.993 1.00 1.00 H new ATOM 960 N VAL A 66 80.413 -0.529 -6.998 1.00 1.00 N ATOM 961 CA VAL A 66 78.978 -0.145 -7.045 1.00 1.00 C ATOM 962 C VAL A 66 78.154 -1.303 -6.484 1.00 1.00 C ATOM 963 O VAL A 66 77.119 -1.101 -5.880 1.00 1.00 O ATOM 964 CB VAL A 66 78.541 0.136 -8.490 1.00 1.00 C ATOM 965 CG1 VAL A 66 79.170 1.446 -8.969 1.00 1.00 C ATOM 966 CG2 VAL A 66 79.003 -1.010 -9.393 1.00 1.00 C ATOM 0 H VAL A 66 80.604 -1.498 -7.253 1.00 1.00 H new ATOM 0 HA VAL A 66 78.824 0.759 -6.456 1.00 1.00 H new ATOM 0 HB VAL A 66 77.455 0.218 -8.531 1.00 1.00 H new ATOM 0 HG11 VAL A 66 78.860 1.645 -9.995 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.843 2.263 -8.326 1.00 1.00 H new ATOM 0 HG13 VAL A 66 80.256 1.364 -8.928 1.00 1.00 H new ATOM 0 HG21 VAL A 66 78.694 -0.812 -10.419 1.00 1.00 H new ATOM 0 HG22 VAL A 66 80.089 -1.091 -9.351 1.00 1.00 H new ATOM 0 HG23 VAL A 66 78.556 -1.944 -9.053 1.00 1.00 H new ATOM 976 N ILE A 67 78.602 -2.523 -6.680 1.00 1.00 N ATOM 977 CA ILE A 67 77.829 -3.688 -6.152 1.00 1.00 C ATOM 978 C ILE A 67 78.750 -4.720 -5.479 1.00 1.00 C ATOM 979 O ILE A 67 79.182 -5.675 -6.093 1.00 1.00 O ATOM 980 CB ILE A 67 77.092 -4.367 -7.310 1.00 1.00 C ATOM 981 CG1 ILE A 67 76.132 -3.367 -7.958 1.00 1.00 C ATOM 982 CG2 ILE A 67 76.299 -5.563 -6.780 1.00 1.00 C ATOM 983 CD1 ILE A 67 75.565 -3.964 -9.247 1.00 1.00 C ATOM 0 H ILE A 67 79.461 -2.758 -7.178 1.00 1.00 H new ATOM 0 HA ILE A 67 77.125 -3.317 -5.407 1.00 1.00 H new ATOM 0 HB ILE A 67 77.816 -4.710 -8.050 1.00 1.00 H new ATOM 0 HG12 ILE A 67 75.322 -3.126 -7.269 1.00 1.00 H new ATOM 0 HG13 ILE A 67 76.653 -2.435 -8.175 1.00 1.00 H new ATOM 0 HG21 ILE A 67 75.775 -6.046 -7.604 1.00 1.00 H new ATOM 0 HG22 ILE A 67 76.981 -6.276 -6.317 1.00 1.00 H new ATOM 0 HG23 ILE A 67 75.575 -5.221 -6.040 1.00 1.00 H new ATOM 0 HD11 ILE A 67 74.881 -3.251 -9.708 1.00 1.00 H new ATOM 0 HD12 ILE A 67 76.381 -4.182 -9.936 1.00 1.00 H new ATOM 0 HD13 ILE A 67 75.028 -4.884 -9.016 1.00 1.00 H new ATOM 995 N CYS A 68 79.014 -4.553 -4.211 1.00 1.00 N ATOM 996 CA CYS A 68 79.856 -5.534 -3.470 1.00 1.00 C ATOM 997 C CYS A 68 78.998 -6.741 -3.082 1.00 1.00 C ATOM 998 O CYS A 68 77.806 -6.619 -2.878 1.00 1.00 O ATOM 999 CB CYS A 68 80.404 -4.873 -2.203 1.00 1.00 C ATOM 1000 SG CYS A 68 79.062 -4.656 -1.008 1.00 1.00 S ATOM 0 H CYS A 68 78.678 -3.769 -3.651 1.00 1.00 H new ATOM 0 HA CYS A 68 80.684 -5.860 -4.100 1.00 1.00 H new ATOM 0 HB2 CYS A 68 81.194 -5.488 -1.771 1.00 1.00 H new ATOM 0 HB3 CYS A 68 80.848 -3.908 -2.446 1.00 1.00 H new ATOM 0 HG CYS A 68 78.020 -5.327 -1.399 1.00 1.00 H new ATOM 1005 N PRO A 69 79.589 -7.906 -2.972 1.00 1.00 N ATOM 1006 CA PRO A 69 78.843 -9.142 -2.594 1.00 1.00 C ATOM 1007 C PRO A 69 78.143 -8.989 -1.239 1.00 1.00 C ATOM 1008 O PRO A 69 77.289 -9.773 -0.877 1.00 1.00 O ATOM 1009 CB PRO A 69 79.919 -10.239 -2.537 1.00 1.00 C ATOM 1010 CG PRO A 69 81.231 -9.524 -2.502 1.00 1.00 C ATOM 1011 CD PRO A 69 81.018 -8.173 -3.187 1.00 1.00 C ATOM 0 HA PRO A 69 78.050 -9.371 -3.306 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.792 -10.865 -1.654 1.00 1.00 H new ATOM 0 HB3 PRO A 69 79.855 -10.895 -3.405 1.00 1.00 H new ATOM 0 HG2 PRO A 69 81.569 -9.387 -1.475 1.00 1.00 H new ATOM 0 HG3 PRO A 69 81.999 -10.101 -3.016 1.00 1.00 H new ATOM 0 HD2 PRO A 69 81.643 -7.396 -2.747 1.00 1.00 H new ATOM 0 HD3 PRO A 69 81.264 -8.217 -4.248 1.00 1.00 H new ATOM 1019 N TRP A 70 78.498 -7.978 -0.492 1.00 1.00 N ATOM 1020 CA TRP A 70 77.853 -7.765 0.835 1.00 1.00 C ATOM 1021 C TRP A 70 76.494 -7.087 0.624 1.00 1.00 C ATOM 1022 O TRP A 70 75.742 -6.868 1.553 1.00 1.00 O ATOM 1023 CB TRP A 70 78.753 -6.863 1.694 1.00 1.00 C ATOM 1024 CG TRP A 70 78.551 -7.179 3.141 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.470 -7.809 3.655 1.00 1.00 C ATOM 1026 CD2 TRP A 70 79.432 -6.894 4.267 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.630 -7.929 5.023 1.00 1.00 N ATOM 1028 CE2 TRP A 70 78.822 -7.380 5.449 1.00 1.00 C ATOM 1029 CE3 TRP A 70 80.686 -6.267 4.377 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 79.438 -7.248 6.697 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 81.306 -6.133 5.628 1.00 1.00 C ATOM 1032 CH2 TRP A 70 80.686 -6.622 6.785 1.00 1.00 C ATOM 0 H TRP A 70 79.208 -7.290 -0.744 1.00 1.00 H new ATOM 0 HA TRP A 70 77.711 -8.720 1.340 1.00 1.00 H new ATOM 0 HB2 TRP A 70 79.798 -7.011 1.422 1.00 1.00 H new ATOM 0 HB3 TRP A 70 78.520 -5.815 1.505 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.620 -8.161 3.089 1.00 1.00 H new ATOM 0 HE1 TRP A 70 76.950 -8.370 5.642 1.00 1.00 H new ATOM 0 HE3 TRP A 70 81.175 -5.886 3.492 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 78.955 -7.626 7.586 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 82.269 -5.649 5.700 1.00 1.00 H new ATOM 0 HH2 TRP A 70 81.171 -6.516 7.744 1.00 1.00 H new ATOM 1043 N GLU A 71 76.176 -6.749 -0.596 1.00 1.00 N ATOM 1044 CA GLU A 71 74.872 -6.082 -0.871 1.00 1.00 C ATOM 1045 C GLU A 71 73.749 -7.121 -0.826 1.00 1.00 C ATOM 1046 O GLU A 71 72.665 -6.856 -0.345 1.00 1.00 O ATOM 1047 CB GLU A 71 74.918 -5.430 -2.260 1.00 1.00 C ATOM 1048 CG GLU A 71 75.462 -4.005 -2.138 1.00 1.00 C ATOM 1049 CD GLU A 71 75.351 -3.298 -3.490 1.00 1.00 C ATOM 1050 OE1 GLU A 71 74.681 -3.828 -4.360 1.00 1.00 O ATOM 1051 OE2 GLU A 71 75.939 -2.238 -3.632 1.00 1.00 O ATOM 0 H GLU A 71 76.764 -6.906 -1.415 1.00 1.00 H new ATOM 0 HA GLU A 71 74.685 -5.317 -0.118 1.00 1.00 H new ATOM 0 HB2 GLU A 71 75.550 -6.016 -2.928 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.920 -5.413 -2.699 1.00 1.00 H new ATOM 0 HG2 GLU A 71 74.903 -3.455 -1.381 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.502 -4.028 -1.812 1.00 1.00 H new ATOM 1058 N ALA A 72 73.997 -8.301 -1.322 1.00 1.00 N ATOM 1059 CA ALA A 72 72.941 -9.352 -1.305 1.00 1.00 C ATOM 1060 C ALA A 72 72.506 -9.612 0.139 1.00 1.00 C ATOM 1061 O ALA A 72 73.292 -10.026 0.968 1.00 1.00 O ATOM 1062 CB ALA A 72 73.495 -10.642 -1.911 1.00 1.00 C ATOM 0 H ALA A 72 74.884 -8.583 -1.738 1.00 1.00 H new ATOM 0 HA ALA A 72 72.084 -9.016 -1.889 1.00 1.00 H new ATOM 0 HB1 ALA A 72 72.723 -11.411 -1.899 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.806 -10.457 -2.939 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.352 -10.979 -1.328 1.00 1.00 H new ATOM 1068 N CYS A 73 71.260 -9.371 0.446 1.00 1.00 N ATOM 1069 CA CYS A 73 70.776 -9.604 1.836 1.00 1.00 C ATOM 1070 C CYS A 73 71.131 -11.029 2.267 1.00 1.00 C ATOM 1071 O CYS A 73 70.351 -11.948 2.114 1.00 1.00 O ATOM 1072 CB CYS A 73 69.255 -9.413 1.883 1.00 1.00 C ATOM 1073 SG CYS A 73 68.869 -7.863 2.734 1.00 1.00 S ATOM 0 H CYS A 73 70.557 -9.023 -0.206 1.00 1.00 H new ATOM 0 HA CYS A 73 71.251 -8.894 2.513 1.00 1.00 H new ATOM 0 HB2 CYS A 73 68.848 -9.396 0.872 1.00 1.00 H new ATOM 0 HB3 CYS A 73 68.788 -10.251 2.401 1.00 1.00 H new ATOM 0 HG CYS A 73 67.580 -7.699 2.773 1.00 1.00 H new ATOM 1078 N ASN A 74 72.305 -11.220 2.807 1.00 1.00 N ATOM 1079 CA ASN A 74 72.713 -12.584 3.252 1.00 1.00 C ATOM 1080 C ASN A 74 72.418 -12.735 4.746 1.00 1.00 C ATOM 1081 O ASN A 74 73.307 -12.947 5.545 1.00 1.00 O ATOM 1082 CB ASN A 74 74.213 -12.774 3.001 1.00 1.00 C ATOM 1083 CG ASN A 74 74.543 -14.268 2.975 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.613 -15.134 3.270 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 75.659 -14.650 2.683 1.00 1.00 N flip ATOM 0 H ASN A 74 73.000 -10.489 2.959 1.00 1.00 H new ATOM 0 HA ASN A 74 72.156 -13.336 2.693 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.495 -12.312 2.055 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.789 -12.277 3.782 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.386 -13.973 2.452 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.869 -15.648 2.668 1.00 1.00 H new ATOM 1092 N HIS A 75 71.174 -12.619 5.126 1.00 1.00 N ATOM 1093 CA HIS A 75 70.810 -12.748 6.567 1.00 1.00 C ATOM 1094 C HIS A 75 71.301 -11.513 7.326 1.00 1.00 C ATOM 1095 O HIS A 75 71.677 -11.589 8.479 1.00 1.00 O ATOM 1096 CB HIS A 75 71.458 -14.005 7.161 1.00 1.00 C ATOM 1097 CG HIS A 75 71.509 -15.085 6.116 1.00 1.00 C ATOM 1098 ND1 HIS A 75 70.373 -15.529 5.455 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.552 -15.821 5.606 1.00 1.00 C ATOM 1100 CE1 HIS A 75 70.753 -16.489 4.593 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.069 -16.704 4.646 1.00 1.00 N ATOM 0 H HIS A 75 70.391 -12.440 4.498 1.00 1.00 H new ATOM 0 HA HIS A 75 69.727 -12.829 6.658 1.00 1.00 H new ATOM 0 HB2 HIS A 75 72.464 -13.777 7.513 1.00 1.00 H new ATOM 0 HB3 HIS A 75 70.888 -14.347 8.025 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.586 -15.728 5.904 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.077 -17.020 3.939 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.607 -17.375 4.098 1.00 1.00 H new ATOM 1110 N CYS A 76 71.302 -10.374 6.686 1.00 1.00 N ATOM 1111 CA CYS A 76 71.770 -9.133 7.367 1.00 1.00 C ATOM 1112 C CYS A 76 70.568 -8.381 7.942 1.00 1.00 C ATOM 1113 O CYS A 76 70.715 -7.417 8.666 1.00 1.00 O ATOM 1114 CB CYS A 76 72.497 -8.243 6.356 1.00 1.00 C ATOM 1115 SG CYS A 76 73.697 -7.201 7.223 1.00 1.00 S ATOM 0 H CYS A 76 70.999 -10.250 5.720 1.00 1.00 H new ATOM 0 HA CYS A 76 72.452 -9.396 8.176 1.00 1.00 H new ATOM 0 HB2 CYS A 76 73.004 -8.858 5.612 1.00 1.00 H new ATOM 0 HB3 CYS A 76 71.779 -7.621 5.820 1.00 1.00 H new ATOM 0 HG CYS A 76 74.316 -6.446 6.365 1.00 1.00 H new ATOM 1120 N GLU A 77 69.378 -8.812 7.623 1.00 1.00 N ATOM 1121 CA GLU A 77 68.169 -8.119 8.151 1.00 1.00 C ATOM 1122 C GLU A 77 68.017 -8.417 9.644 1.00 1.00 C ATOM 1123 O GLU A 77 67.507 -7.612 10.398 1.00 1.00 O ATOM 1124 CB GLU A 77 66.928 -8.611 7.400 1.00 1.00 C ATOM 1125 CG GLU A 77 66.989 -10.133 7.253 1.00 1.00 C ATOM 1126 CD GLU A 77 65.632 -10.654 6.775 1.00 1.00 C ATOM 1127 OE1 GLU A 77 65.116 -10.110 5.813 1.00 1.00 O ATOM 1128 OE2 GLU A 77 65.132 -11.589 7.380 1.00 1.00 O ATOM 0 H GLU A 77 69.191 -9.613 7.020 1.00 1.00 H new ATOM 0 HA GLU A 77 68.277 -7.044 8.007 1.00 1.00 H new ATOM 0 HB2 GLU A 77 66.026 -8.323 7.940 1.00 1.00 H new ATOM 0 HB3 GLU A 77 66.875 -8.142 6.417 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.768 -10.409 6.542 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.251 -10.591 8.207 1.00 1.00 H new ATOM 1135 N LEU A 78 68.457 -9.567 10.078 1.00 1.00 N ATOM 1136 CA LEU A 78 68.338 -9.913 11.524 1.00 1.00 C ATOM 1137 C LEU A 78 69.378 -9.127 12.323 1.00 1.00 C ATOM 1138 O LEU A 78 69.741 -9.495 13.422 1.00 1.00 O ATOM 1139 CB LEU A 78 68.562 -11.417 11.715 1.00 1.00 C ATOM 1140 CG LEU A 78 69.909 -11.820 11.112 1.00 1.00 C ATOM 1141 CD1 LEU A 78 71.030 -11.494 12.101 1.00 1.00 C ATOM 1142 CD2 LEU A 78 69.907 -13.322 10.822 1.00 1.00 C ATOM 0 H LEU A 78 68.893 -10.281 9.495 1.00 1.00 H new ATOM 0 HA LEU A 78 67.340 -9.654 11.879 1.00 1.00 H new ATOM 0 HB2 LEU A 78 68.539 -11.666 12.776 1.00 1.00 H new ATOM 0 HB3 LEU A 78 67.758 -11.977 11.239 1.00 1.00 H new ATOM 0 HG LEU A 78 70.071 -11.270 10.185 1.00 1.00 H new ATOM 0 HD11 LEU A 78 71.990 -11.781 11.671 1.00 1.00 H new ATOM 0 HD12 LEU A 78 71.032 -10.424 12.309 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.869 -12.044 13.028 1.00 1.00 H new ATOM 0 HD21 LEU A 78 70.866 -13.611 10.392 1.00 1.00 H new ATOM 0 HD22 LEU A 78 69.745 -13.871 11.749 1.00 1.00 H new ATOM 0 HD23 LEU A 78 69.109 -13.555 10.117 1.00 1.00 H new