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 39:sc= -0.237! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 68 CYS SG : rot 180:sc= -5.59! USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.05 K(o=-1,f=-5.3!) USER MOD Single : A 75 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-1.8) USER MOD Single : A 76 CYS SG : rot 97:sc= 0.0137 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 74.064 5.844 11.940 1.00 1.00 N ATOM 878 CA GLY A 59 72.791 6.616 11.893 1.00 1.00 C ATOM 879 C GLY A 59 72.982 7.866 11.032 1.00 1.00 C ATOM 880 O GLY A 59 73.086 8.967 11.534 1.00 1.00 O ATOM 0 HA2 GLY A 59 71.993 5.997 11.482 1.00 1.00 H new ATOM 0 HA3 GLY A 59 72.488 6.899 12.901 1.00 1.00 H new ATOM 884 N CYS A 60 73.029 7.705 9.737 1.00 1.00 N ATOM 885 CA CYS A 60 73.214 8.884 8.844 1.00 1.00 C ATOM 886 C CYS A 60 71.845 9.436 8.438 1.00 1.00 C ATOM 887 O CYS A 60 71.744 10.476 7.817 1.00 1.00 O ATOM 888 CB CYS A 60 73.984 8.460 7.591 1.00 1.00 C ATOM 889 SG CYS A 60 75.499 7.596 8.076 1.00 1.00 S ATOM 0 H CYS A 60 72.947 6.808 9.259 1.00 1.00 H new ATOM 0 HA CYS A 60 73.775 9.655 9.372 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.364 7.810 6.973 1.00 1.00 H new ATOM 0 HB3 CYS A 60 74.229 9.335 6.988 1.00 1.00 H new ATOM 0 HG CYS A 60 76.152 7.234 7.012 1.00 1.00 H new ATOM 894 N GLY A 61 70.790 8.744 8.781 1.00 1.00 N ATOM 895 CA GLY A 61 69.422 9.220 8.416 1.00 1.00 C ATOM 896 C GLY A 61 68.598 8.039 7.902 1.00 1.00 C ATOM 897 O GLY A 61 68.181 8.010 6.761 1.00 1.00 O ATOM 0 H GLY A 61 70.817 7.866 9.300 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.936 9.667 9.283 1.00 1.00 H new ATOM 0 HA3 GLY A 61 69.486 9.994 7.652 1.00 1.00 H new ATOM 901 N THR A 62 68.369 7.059 8.736 1.00 1.00 N ATOM 902 CA THR A 62 67.580 5.868 8.305 1.00 1.00 C ATOM 903 C THR A 62 68.144 5.319 6.992 1.00 1.00 C ATOM 904 O THR A 62 67.600 4.402 6.410 1.00 1.00 O ATOM 905 CB THR A 62 66.112 6.259 8.112 1.00 1.00 C ATOM 906 OG1 THR A 62 66.040 7.481 7.391 1.00 1.00 O ATOM 907 CG2 THR A 62 65.443 6.430 9.477 1.00 1.00 C ATOM 0 H THR A 62 68.696 7.032 9.702 1.00 1.00 H new ATOM 0 HA THR A 62 67.648 5.099 9.074 1.00 1.00 H new ATOM 0 HB THR A 62 65.598 5.476 7.554 1.00 1.00 H new ATOM 0 HG1 THR A 62 66.729 7.491 6.694 1.00 1.00 H new ATOM 0 HG21 THR A 62 64.398 6.708 9.338 1.00 1.00 H new ATOM 0 HG22 THR A 62 65.498 5.492 10.029 1.00 1.00 H new ATOM 0 HG23 THR A 62 65.955 7.212 10.038 1.00 1.00 H new ATOM 915 N ASP A 63 69.232 5.867 6.524 1.00 1.00 N ATOM 916 CA ASP A 63 69.831 5.367 5.256 1.00 1.00 C ATOM 917 C ASP A 63 70.436 3.983 5.502 1.00 1.00 C ATOM 918 O ASP A 63 71.573 3.724 5.162 1.00 1.00 O ATOM 919 CB ASP A 63 70.928 6.331 4.794 1.00 1.00 C ATOM 920 CG ASP A 63 70.289 7.559 4.142 1.00 1.00 C ATOM 921 OD1 ASP A 63 69.486 8.202 4.798 1.00 1.00 O ATOM 922 OD2 ASP A 63 70.613 7.834 2.999 1.00 1.00 O ATOM 0 H ASP A 63 69.731 6.639 6.965 1.00 1.00 H new ATOM 0 HA ASP A 63 69.063 5.301 4.486 1.00 1.00 H new ATOM 0 HB2 ASP A 63 71.541 6.635 5.643 1.00 1.00 H new ATOM 0 HB3 ASP A 63 71.589 5.833 4.085 1.00 1.00 H new ATOM 927 N ILE A 64 69.687 3.093 6.096 1.00 1.00 N ATOM 928 CA ILE A 64 70.220 1.730 6.370 1.00 1.00 C ATOM 929 C ILE A 64 69.088 0.705 6.224 1.00 1.00 C ATOM 930 O ILE A 64 68.760 0.283 5.133 1.00 1.00 O ATOM 931 CB ILE A 64 70.794 1.687 7.794 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.148 0.243 8.156 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.753 2.218 8.781 1.00 1.00 C ATOM 934 CD1 ILE A 64 72.296 0.237 9.168 1.00 1.00 C ATOM 0 H ILE A 64 68.728 3.253 6.403 1.00 1.00 H new ATOM 0 HA ILE A 64 71.011 1.490 5.660 1.00 1.00 H new ATOM 0 HB ILE A 64 71.690 2.306 7.843 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.277 -0.262 8.575 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.436 -0.308 7.260 1.00 1.00 H new ATOM 0 HG21 ILE A 64 70.161 2.187 9.791 1.00 1.00 H new ATOM 0 HG22 ILE A 64 69.499 3.246 8.523 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.857 1.599 8.732 1.00 1.00 H new ATOM 0 HD11 ILE A 64 72.548 -0.792 9.426 1.00 1.00 H new ATOM 0 HD12 ILE A 64 73.167 0.726 8.733 1.00 1.00 H new ATOM 0 HD13 ILE A 64 71.991 0.772 10.067 1.00 1.00 H new ATOM 946 N THR A 65 68.489 0.302 7.310 1.00 1.00 N ATOM 947 CA THR A 65 67.383 -0.694 7.231 1.00 1.00 C ATOM 948 C THR A 65 66.246 -0.131 6.375 1.00 1.00 C ATOM 949 O THR A 65 66.007 -0.582 5.272 1.00 1.00 O ATOM 950 CB THR A 65 66.865 -0.992 8.641 1.00 1.00 C ATOM 951 OG1 THR A 65 67.964 -1.092 9.535 1.00 1.00 O ATOM 952 CG2 THR A 65 66.088 -2.310 8.634 1.00 1.00 C ATOM 0 H THR A 65 68.718 0.620 8.252 1.00 1.00 H new ATOM 0 HA THR A 65 67.754 -1.614 6.778 1.00 1.00 H new ATOM 0 HB THR A 65 66.205 -0.187 8.964 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.635 -1.281 10.438 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.720 -2.521 9.638 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.245 -2.232 7.948 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.745 -3.118 8.311 1.00 1.00 H new ATOM 960 N VAL A 66 65.542 0.852 6.872 1.00 1.00 N ATOM 961 CA VAL A 66 64.423 1.440 6.081 1.00 1.00 C ATOM 962 C VAL A 66 64.895 1.692 4.649 1.00 1.00 C ATOM 963 O VAL A 66 64.273 1.268 3.695 1.00 1.00 O ATOM 964 CB VAL A 66 63.987 2.762 6.715 1.00 1.00 C ATOM 965 CG1 VAL A 66 62.653 3.203 6.111 1.00 1.00 C ATOM 966 CG2 VAL A 66 63.824 2.573 8.225 1.00 1.00 C ATOM 0 H VAL A 66 65.694 1.272 7.789 1.00 1.00 H new ATOM 0 HA VAL A 66 63.580 0.749 6.072 1.00 1.00 H new ATOM 0 HB VAL A 66 64.742 3.524 6.522 1.00 1.00 H new ATOM 0 HG11 VAL A 66 62.343 4.145 6.563 1.00 1.00 H new ATOM 0 HG12 VAL A 66 62.767 3.337 5.035 1.00 1.00 H new ATOM 0 HG13 VAL A 66 61.897 2.442 6.304 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.513 3.514 8.678 1.00 1.00 H new ATOM 0 HG22 VAL A 66 63.068 1.811 8.417 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.774 2.259 8.657 1.00 1.00 H new ATOM 976 N ILE A 67 65.998 2.375 4.494 1.00 1.00 N ATOM 977 CA ILE A 67 66.527 2.654 3.128 1.00 1.00 C ATOM 978 C ILE A 67 68.031 2.375 3.109 1.00 1.00 C ATOM 979 O ILE A 67 68.836 3.240 3.394 1.00 1.00 O ATOM 980 CB ILE A 67 66.276 4.120 2.771 1.00 1.00 C ATOM 981 CG1 ILE A 67 64.770 4.365 2.655 1.00 1.00 C ATOM 982 CG2 ILE A 67 66.948 4.443 1.435 1.00 1.00 C ATOM 983 CD1 ILE A 67 64.501 5.868 2.575 1.00 1.00 C ATOM 0 H ILE A 67 66.557 2.753 5.259 1.00 1.00 H new ATOM 0 HA ILE A 67 66.024 2.016 2.402 1.00 1.00 H new ATOM 0 HB ILE A 67 66.691 4.759 3.550 1.00 1.00 H new ATOM 0 HG12 ILE A 67 64.377 3.867 1.768 1.00 1.00 H new ATOM 0 HG13 ILE A 67 64.254 3.938 3.515 1.00 1.00 H new ATOM 0 HG21 ILE A 67 66.769 5.488 1.181 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.021 4.268 1.516 1.00 1.00 H new ATOM 0 HG23 ILE A 67 66.534 3.804 0.655 1.00 1.00 H new ATOM 0 HD11 ILE A 67 63.428 6.042 2.492 1.00 1.00 H new ATOM 0 HD12 ILE A 67 64.879 6.354 3.475 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.004 6.282 1.701 1.00 1.00 H new ATOM 995 N CYS A 68 68.418 1.174 2.775 1.00 1.00 N ATOM 996 CA CYS A 68 69.870 0.841 2.739 1.00 1.00 C ATOM 997 C CYS A 68 70.424 1.159 1.345 1.00 1.00 C ATOM 998 O CYS A 68 69.774 0.923 0.347 1.00 1.00 O ATOM 999 CB CYS A 68 70.056 -0.651 3.042 1.00 1.00 C ATOM 1000 SG CYS A 68 71.091 -0.846 4.514 1.00 1.00 S ATOM 0 H CYS A 68 67.791 0.409 2.526 1.00 1.00 H new ATOM 0 HA CYS A 68 70.404 1.429 3.485 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.087 -1.124 3.201 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.519 -1.151 2.191 1.00 1.00 H new ATOM 0 HG CYS A 68 71.246 -2.111 4.771 1.00 1.00 H new ATOM 1005 N PRO A 69 71.620 1.691 1.269 1.00 1.00 N ATOM 1006 CA PRO A 69 72.256 2.039 -0.029 1.00 1.00 C ATOM 1007 C PRO A 69 71.980 0.987 -1.109 1.00 1.00 C ATOM 1008 O PRO A 69 71.981 1.280 -2.289 1.00 1.00 O ATOM 1009 CB PRO A 69 73.746 2.089 0.310 1.00 1.00 C ATOM 1010 CG PRO A 69 73.806 2.476 1.753 1.00 1.00 C ATOM 1011 CD PRO A 69 72.497 2.014 2.405 1.00 1.00 C ATOM 0 HA PRO A 69 71.870 2.972 -0.439 1.00 1.00 H new ATOM 0 HB2 PRO A 69 74.221 1.123 0.141 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.268 2.814 -0.314 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.663 2.011 2.240 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.927 3.554 1.857 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.656 1.146 3.044 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.066 2.796 3.030 1.00 1.00 H new ATOM 1019 N TRP A 70 71.745 -0.234 -0.715 1.00 1.00 N ATOM 1020 CA TRP A 70 71.470 -1.302 -1.717 1.00 1.00 C ATOM 1021 C TRP A 70 70.193 -0.961 -2.491 1.00 1.00 C ATOM 1022 O TRP A 70 69.867 -1.590 -3.477 1.00 1.00 O ATOM 1023 CB TRP A 70 71.296 -2.643 -0.997 1.00 1.00 C ATOM 1024 CG TRP A 70 70.797 -3.668 -1.964 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.251 -3.831 -3.227 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.758 -4.673 -1.769 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.560 -4.870 -3.822 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.629 -5.422 -2.965 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.926 -5.004 -0.686 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 68.704 -6.463 -3.078 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 67.997 -6.049 -0.797 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.885 -6.777 -1.989 1.00 1.00 C ATOM 0 H TRP A 70 71.731 -0.539 0.258 1.00 1.00 H new ATOM 0 HA TRP A 70 72.305 -1.372 -2.414 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.246 -2.964 -0.569 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.594 -2.535 -0.170 1.00 1.00 H new ATOM 0 HD1 TRP A 70 72.028 -3.245 -3.695 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.719 -5.190 -4.778 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.002 -4.450 0.238 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.622 -7.021 -3.999 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.363 -6.294 0.042 1.00 1.00 H new ATOM 0 HH2 TRP A 70 67.167 -7.580 -2.067 1.00 1.00 H new ATOM 1043 N GLU A 71 69.469 0.033 -2.053 1.00 1.00 N ATOM 1044 CA GLU A 71 68.218 0.414 -2.766 1.00 1.00 C ATOM 1045 C GLU A 71 68.577 1.063 -4.103 1.00 1.00 C ATOM 1046 O GLU A 71 68.034 0.723 -5.136 1.00 1.00 O ATOM 1047 CB GLU A 71 67.424 1.407 -1.911 1.00 1.00 C ATOM 1048 CG GLU A 71 66.667 0.650 -0.819 1.00 1.00 C ATOM 1049 CD GLU A 71 65.468 -0.074 -1.436 1.00 1.00 C ATOM 1050 OE1 GLU A 71 64.560 0.604 -1.887 1.00 1.00 O ATOM 1051 OE2 GLU A 71 65.479 -1.294 -1.446 1.00 1.00 O ATOM 0 H GLU A 71 69.690 0.597 -1.232 1.00 1.00 H new ATOM 0 HA GLU A 71 67.612 -0.475 -2.943 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.098 2.136 -1.462 1.00 1.00 H new ATOM 0 HB3 GLU A 71 66.724 1.962 -2.535 1.00 1.00 H new ATOM 0 HG2 GLU A 71 67.329 -0.068 -0.334 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.329 1.343 -0.049 1.00 1.00 H new ATOM 1058 N ALA A 72 69.489 1.996 -4.092 1.00 1.00 N ATOM 1059 CA ALA A 72 69.884 2.667 -5.361 1.00 1.00 C ATOM 1060 C ALA A 72 70.600 1.662 -6.267 1.00 1.00 C ATOM 1061 O ALA A 72 70.100 1.282 -7.307 1.00 1.00 O ATOM 1062 CB ALA A 72 70.822 3.835 -5.046 1.00 1.00 C ATOM 0 H ALA A 72 69.978 2.322 -3.258 1.00 1.00 H new ATOM 0 HA ALA A 72 68.996 3.042 -5.869 1.00 1.00 H new ATOM 0 HB1 ALA A 72 71.113 4.328 -5.973 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.310 4.549 -4.400 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.712 3.461 -4.540 1.00 1.00 H new ATOM 1068 N CYS A 73 71.767 1.225 -5.878 1.00 1.00 N ATOM 1069 CA CYS A 73 72.512 0.243 -6.715 1.00 1.00 C ATOM 1070 C CYS A 73 71.854 -1.133 -6.590 1.00 1.00 C ATOM 1071 O CYS A 73 72.394 -2.038 -5.987 1.00 1.00 O ATOM 1072 CB CYS A 73 73.963 0.161 -6.234 1.00 1.00 C ATOM 1073 SG CYS A 73 74.734 1.794 -6.358 1.00 1.00 S ATOM 0 H CYS A 73 72.236 1.506 -5.017 1.00 1.00 H new ATOM 0 HA CYS A 73 72.493 0.562 -7.757 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.996 -0.191 -5.203 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.516 -0.561 -6.835 1.00 1.00 H new ATOM 0 HG CYS A 73 75.965 1.725 -5.947 1.00 1.00 H new ATOM 1078 N ASN A 74 70.688 -1.295 -7.155 1.00 1.00 N ATOM 1079 CA ASN A 74 69.992 -2.609 -7.067 1.00 1.00 C ATOM 1080 C ASN A 74 70.938 -3.722 -7.523 1.00 1.00 C ATOM 1081 O ASN A 74 71.154 -4.691 -6.822 1.00 1.00 O ATOM 1082 CB ASN A 74 68.755 -2.592 -7.968 1.00 1.00 C ATOM 1083 CG ASN A 74 69.129 -2.028 -9.340 1.00 1.00 C ATOM 1084 OD1 ASN A 74 69.480 -0.871 -9.459 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.069 -2.803 -10.389 1.00 1.00 N ATOM 0 H ASN A 74 70.188 -0.573 -7.674 1.00 1.00 H new ATOM 0 HA ASN A 74 69.690 -2.790 -6.036 1.00 1.00 H new ATOM 0 HB2 ASN A 74 68.356 -3.601 -8.074 1.00 1.00 H new ATOM 0 HB3 ASN A 74 67.971 -1.985 -7.515 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.317 -2.437 -11.308 1.00 1.00 H new ATOM 0 HD22 ASN A 74 68.774 -3.774 -10.289 1.00 1.00 H new ATOM 1092 N HIS A 75 71.505 -3.591 -8.691 1.00 1.00 N ATOM 1093 CA HIS A 75 72.437 -4.641 -9.191 1.00 1.00 C ATOM 1094 C HIS A 75 73.425 -5.017 -8.085 1.00 1.00 C ATOM 1095 O HIS A 75 74.300 -4.250 -7.736 1.00 1.00 O ATOM 1096 CB HIS A 75 73.207 -4.103 -10.399 1.00 1.00 C ATOM 1097 CG HIS A 75 73.907 -2.827 -10.020 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.289 -2.723 -9.987 1.00 1.00 N ATOM 1099 CD2 HIS A 75 73.428 -1.591 -9.656 1.00 1.00 C ATOM 1100 CE1 HIS A 75 75.595 -1.467 -9.615 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.498 -0.738 -9.402 1.00 1.00 N ATOM 0 H HIS A 75 71.363 -2.802 -9.321 1.00 1.00 H new ATOM 0 HA HIS A 75 71.867 -5.523 -9.484 1.00 1.00 H new ATOM 0 HB2 HIS A 75 73.933 -4.841 -10.739 1.00 1.00 H new ATOM 0 HB3 HIS A 75 72.523 -3.923 -11.229 1.00 1.00 H new ATOM 0 HD2 HIS A 75 72.384 -1.324 -9.579 1.00 1.00 H new ATOM 0 HE1 HIS A 75 76.603 -1.095 -9.503 1.00 1.00 H new ATOM 0 HE2 HIS A 75 74.453 0.239 -9.114 1.00 1.00 H new ATOM 1110 N CYS A 76 73.291 -6.193 -7.529 1.00 1.00 N ATOM 1111 CA CYS A 76 74.220 -6.622 -6.443 1.00 1.00 C ATOM 1112 C CYS A 76 75.229 -7.628 -7.005 1.00 1.00 C ATOM 1113 O CYS A 76 75.017 -8.824 -6.971 1.00 1.00 O ATOM 1114 CB CYS A 76 73.413 -7.269 -5.311 1.00 1.00 C ATOM 1115 SG CYS A 76 73.991 -6.633 -3.718 1.00 1.00 S ATOM 0 H CYS A 76 72.576 -6.876 -7.781 1.00 1.00 H new ATOM 0 HA CYS A 76 74.756 -5.757 -6.053 1.00 1.00 H new ATOM 0 HB2 CYS A 76 72.352 -7.054 -5.437 1.00 1.00 H new ATOM 0 HB3 CYS A 76 73.524 -8.353 -5.344 1.00 1.00 H new ATOM 0 HG CYS A 76 73.219 -5.661 -3.333 1.00 1.00 H new ATOM 1120 N GLU A 77 76.327 -7.152 -7.527 1.00 1.00 N ATOM 1121 CA GLU A 77 77.349 -8.079 -8.092 1.00 1.00 C ATOM 1122 C GLU A 77 78.061 -8.809 -6.951 1.00 1.00 C ATOM 1123 O GLU A 77 77.458 -9.162 -5.956 1.00 1.00 O ATOM 1124 CB GLU A 77 78.367 -7.278 -8.905 1.00 1.00 C ATOM 1125 CG GLU A 77 77.645 -6.518 -10.020 1.00 1.00 C ATOM 1126 CD GLU A 77 77.086 -7.514 -11.037 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.539 -8.646 -11.040 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.213 -7.127 -11.797 1.00 1.00 O ATOM 0 H GLU A 77 76.560 -6.161 -7.587 1.00 1.00 H new ATOM 0 HA GLU A 77 76.863 -8.809 -8.739 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.896 -6.579 -8.258 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.115 -7.947 -9.331 1.00 1.00 H new ATOM 0 HG2 GLU A 77 76.837 -5.918 -9.601 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.333 -5.829 -10.510 1.00 1.00 H new ATOM 1135 N LEU A 78 79.342 -9.039 -7.082 1.00 1.00 N ATOM 1136 CA LEU A 78 80.085 -9.744 -5.999 1.00 1.00 C ATOM 1137 C LEU A 78 81.569 -9.356 -6.050 1.00 1.00 C ATOM 1138 O LEU A 78 82.234 -9.297 -5.035 1.00 1.00 O ATOM 1139 CB LEU A 78 79.919 -11.262 -6.167 1.00 1.00 C ATOM 1140 CG LEU A 78 80.759 -11.749 -7.349 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.068 -12.349 -6.833 1.00 1.00 C ATOM 1142 CD2 LEU A 78 79.980 -12.816 -8.121 1.00 1.00 C ATOM 0 H LEU A 78 79.903 -8.769 -7.890 1.00 1.00 H new ATOM 0 HA LEU A 78 79.683 -9.451 -5.029 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.227 -11.774 -5.255 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.869 -11.506 -6.330 1.00 1.00 H new ATOM 0 HG LEU A 78 80.979 -10.909 -8.008 1.00 1.00 H new ATOM 0 HD11 LEU A 78 82.666 -12.696 -7.676 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.623 -11.590 -6.281 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.848 -13.189 -6.174 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.577 -13.164 -8.964 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.760 -13.655 -7.461 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.047 -12.390 -8.489 1.00 1.00 H new