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 -5:sc= 0.444 USER MOD Single : A 62 THR OG1 : rot 40:sc= -0.323! USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00401 USER MOD Single : A 68 CYS SG : rot 180:sc= -4.92! USER MOD Single : A 73 CYS SG : rot 48:sc= 0.333 USER MOD Single : A 74 ASN : amide:sc= -0.0711 X(o=-0.071,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.11) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 77.793 -13.672 1.351 1.00 1.00 N ATOM 878 CA GLY A 59 76.328 -13.917 1.499 1.00 1.00 C ATOM 879 C GLY A 59 75.630 -12.600 1.842 1.00 1.00 C ATOM 880 O GLY A 59 74.968 -12.002 1.017 1.00 1.00 O ATOM 0 HA2 GLY A 59 75.921 -14.328 0.575 1.00 1.00 H new ATOM 0 HA3 GLY A 59 76.148 -14.653 2.283 1.00 1.00 H new ATOM 884 N CYS A 60 75.778 -12.142 3.054 1.00 1.00 N ATOM 885 CA CYS A 60 75.130 -10.861 3.453 1.00 1.00 C ATOM 886 C CYS A 60 75.651 -10.436 4.828 1.00 1.00 C ATOM 887 O CYS A 60 76.700 -10.868 5.263 1.00 1.00 O ATOM 888 CB CYS A 60 73.613 -11.055 3.515 1.00 1.00 C ATOM 889 SG CYS A 60 72.796 -9.440 3.483 1.00 1.00 S ATOM 0 H CYS A 60 76.320 -12.600 3.786 1.00 1.00 H new ATOM 0 HA CYS A 60 75.365 -10.088 2.721 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.278 -11.660 2.673 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.341 -11.594 4.423 1.00 1.00 H new ATOM 0 HG CYS A 60 73.692 -8.499 3.524 1.00 1.00 H new ATOM 894 N GLY A 61 74.932 -9.592 5.516 1.00 1.00 N ATOM 895 CA GLY A 61 75.399 -9.146 6.859 1.00 1.00 C ATOM 896 C GLY A 61 74.246 -8.485 7.616 1.00 1.00 C ATOM 897 O GLY A 61 74.404 -8.039 8.734 1.00 1.00 O ATOM 0 H GLY A 61 74.045 -9.193 5.208 1.00 1.00 H new ATOM 0 HA2 GLY A 61 75.776 -9.998 7.424 1.00 1.00 H new ATOM 0 HA3 GLY A 61 76.226 -8.444 6.752 1.00 1.00 H new ATOM 901 N THR A 62 73.088 -8.415 7.015 1.00 1.00 N ATOM 902 CA THR A 62 71.926 -7.779 7.702 1.00 1.00 C ATOM 903 C THR A 62 72.342 -6.417 8.259 1.00 1.00 C ATOM 904 O THR A 62 71.597 -5.775 8.973 1.00 1.00 O ATOM 905 CB THR A 62 71.448 -8.678 8.846 1.00 1.00 C ATOM 906 OG1 THR A 62 72.568 -9.111 9.605 1.00 1.00 O ATOM 907 CG2 THR A 62 70.717 -9.893 8.272 1.00 1.00 C ATOM 0 H THR A 62 72.896 -8.771 6.078 1.00 1.00 H new ATOM 0 HA THR A 62 71.114 -7.644 6.987 1.00 1.00 H new ATOM 0 HB THR A 62 70.768 -8.119 9.488 1.00 1.00 H new ATOM 0 HG1 THR A 62 73.206 -8.373 9.697 1.00 1.00 H new ATOM 0 HG21 THR A 62 70.377 -10.532 9.087 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.858 -9.559 7.690 1.00 1.00 H new ATOM 0 HG23 THR A 62 71.394 -10.455 7.629 1.00 1.00 H new ATOM 915 N ASP A 63 73.519 -5.962 7.931 1.00 1.00 N ATOM 916 CA ASP A 63 73.964 -4.637 8.435 1.00 1.00 C ATOM 917 C ASP A 63 73.127 -3.555 7.755 1.00 1.00 C ATOM 918 O ASP A 63 73.200 -2.391 8.093 1.00 1.00 O ATOM 919 CB ASP A 63 75.444 -4.428 8.105 1.00 1.00 C ATOM 920 CG ASP A 63 75.698 -4.794 6.641 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.541 -5.956 6.306 1.00 1.00 O ATOM 922 OD2 ASP A 63 76.044 -3.905 5.881 1.00 1.00 O ATOM 0 H ASP A 63 74.189 -6.450 7.337 1.00 1.00 H new ATOM 0 HA ASP A 63 73.835 -4.586 9.516 1.00 1.00 H new ATOM 0 HB2 ASP A 63 75.725 -3.390 8.285 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.063 -5.044 8.757 1.00 1.00 H new ATOM 927 N ILE A 64 72.326 -3.942 6.795 1.00 1.00 N ATOM 928 CA ILE A 64 71.469 -2.952 6.079 1.00 1.00 C ATOM 929 C ILE A 64 70.009 -3.377 6.178 1.00 1.00 C ATOM 930 O ILE A 64 69.368 -3.642 5.182 1.00 1.00 O ATOM 931 CB ILE A 64 71.877 -2.888 4.602 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.022 -1.842 3.883 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.660 -4.256 3.952 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.045 -2.111 2.377 1.00 1.00 C ATOM 0 H ILE A 64 72.229 -4.906 6.476 1.00 1.00 H new ATOM 0 HA ILE A 64 71.597 -1.970 6.535 1.00 1.00 H new ATOM 0 HB ILE A 64 72.929 -2.613 4.528 1.00 1.00 H new ATOM 0 HG12 ILE A 64 69.998 -1.877 4.254 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.402 -0.842 4.090 1.00 1.00 H new ATOM 0 HG21 ILE A 64 71.950 -4.210 2.902 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.267 -5.003 4.464 1.00 1.00 H new ATOM 0 HG23 ILE A 64 70.608 -4.531 4.026 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.436 -1.366 1.865 1.00 1.00 H new ATOM 0 HD12 ILE A 64 72.071 -2.054 2.013 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.645 -3.105 2.179 1.00 1.00 H new ATOM 946 N THR A 65 69.457 -3.426 7.359 1.00 1.00 N ATOM 947 CA THR A 65 68.022 -3.803 7.455 1.00 1.00 C ATOM 948 C THR A 65 67.301 -3.019 6.364 1.00 1.00 C ATOM 949 O THR A 65 66.400 -3.504 5.711 1.00 1.00 O ATOM 950 CB THR A 65 67.469 -3.418 8.830 1.00 1.00 C ATOM 951 OG1 THR A 65 67.727 -2.043 9.074 1.00 1.00 O ATOM 952 CG2 THR A 65 68.144 -4.265 9.910 1.00 1.00 C ATOM 0 H THR A 65 69.926 -3.226 8.242 1.00 1.00 H new ATOM 0 HA THR A 65 67.884 -4.877 7.331 1.00 1.00 H new ATOM 0 HB THR A 65 66.394 -3.596 8.852 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.372 -1.795 9.953 1.00 1.00 H new ATOM 0 HG21 THR A 65 67.749 -3.990 10.888 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.945 -5.320 9.722 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.220 -4.090 9.890 1.00 1.00 H new ATOM 960 N VAL A 66 67.751 -1.810 6.148 1.00 1.00 N ATOM 961 CA VAL A 66 67.180 -0.939 5.084 1.00 1.00 C ATOM 962 C VAL A 66 68.194 0.168 4.777 1.00 1.00 C ATOM 963 O VAL A 66 68.562 0.397 3.643 1.00 1.00 O ATOM 964 CB VAL A 66 65.868 -0.288 5.551 1.00 1.00 C ATOM 965 CG1 VAL A 66 65.174 0.376 4.360 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.950 -1.361 6.141 1.00 1.00 C ATOM 0 H VAL A 66 68.509 -1.382 6.679 1.00 1.00 H new ATOM 0 HA VAL A 66 66.973 -1.544 4.201 1.00 1.00 H new ATOM 0 HB VAL A 66 66.086 0.464 6.310 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.244 0.837 4.692 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.827 1.139 3.938 1.00 1.00 H new ATOM 0 HG13 VAL A 66 64.956 -0.375 3.601 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.019 -0.901 6.473 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.733 -2.112 5.381 1.00 1.00 H new ATOM 0 HG23 VAL A 66 65.443 -1.835 6.990 1.00 1.00 H new ATOM 976 N ILE A 67 68.643 0.856 5.796 1.00 1.00 N ATOM 977 CA ILE A 67 69.634 1.957 5.603 1.00 1.00 C ATOM 978 C ILE A 67 70.688 1.899 6.712 1.00 1.00 C ATOM 979 O ILE A 67 70.434 2.296 7.832 1.00 1.00 O ATOM 980 CB ILE A 67 68.915 3.307 5.668 1.00 1.00 C ATOM 981 CG1 ILE A 67 67.817 3.350 4.603 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.918 4.433 5.411 1.00 1.00 C ATOM 983 CD1 ILE A 67 67.059 4.675 4.704 1.00 1.00 C ATOM 0 H ILE A 67 68.362 0.700 6.764 1.00 1.00 H new ATOM 0 HA ILE A 67 70.116 1.841 4.632 1.00 1.00 H new ATOM 0 HB ILE A 67 68.471 3.435 6.655 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.254 3.244 3.610 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.130 2.515 4.740 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.406 5.394 5.457 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.701 4.402 6.168 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.363 4.306 4.424 1.00 1.00 H new ATOM 0 HD11 ILE A 67 66.277 4.706 3.945 1.00 1.00 H new ATOM 0 HD12 ILE A 67 66.609 4.762 5.693 1.00 1.00 H new ATOM 0 HD13 ILE A 67 67.750 5.503 4.546 1.00 1.00 H new ATOM 995 N CYS A 68 71.867 1.427 6.426 1.00 1.00 N ATOM 996 CA CYS A 68 72.910 1.378 7.492 1.00 1.00 C ATOM 997 C CYS A 68 73.482 2.785 7.706 1.00 1.00 C ATOM 998 O CYS A 68 73.755 3.497 6.761 1.00 1.00 O ATOM 999 CB CYS A 68 74.037 0.425 7.074 1.00 1.00 C ATOM 1000 SG CYS A 68 73.564 -0.442 5.557 1.00 1.00 S ATOM 0 H CYS A 68 72.154 1.076 5.512 1.00 1.00 H new ATOM 0 HA CYS A 68 72.463 1.018 8.419 1.00 1.00 H new ATOM 0 HB2 CYS A 68 74.959 0.984 6.914 1.00 1.00 H new ATOM 0 HB3 CYS A 68 74.234 -0.293 7.870 1.00 1.00 H new ATOM 0 HG CYS A 68 74.520 -1.248 5.202 1.00 1.00 H new ATOM 1005 N PRO A 69 73.668 3.193 8.939 1.00 1.00 N ATOM 1006 CA PRO A 69 74.218 4.540 9.263 1.00 1.00 C ATOM 1007 C PRO A 69 75.342 4.962 8.311 1.00 1.00 C ATOM 1008 O PRO A 69 75.248 5.967 7.635 1.00 1.00 O ATOM 1009 CB PRO A 69 74.752 4.370 10.684 1.00 1.00 C ATOM 1010 CG PRO A 69 73.891 3.313 11.298 1.00 1.00 C ATOM 1011 CD PRO A 69 73.382 2.421 10.159 1.00 1.00 C ATOM 0 HA PRO A 69 73.464 5.321 9.166 1.00 1.00 H new ATOM 0 HB2 PRO A 69 75.800 4.071 10.678 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.690 5.304 11.243 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.459 2.727 12.021 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.057 3.762 11.837 1.00 1.00 H new ATOM 0 HD2 PRO A 69 73.892 1.458 10.149 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.316 2.216 10.260 1.00 1.00 H new ATOM 1019 N TRP A 70 76.405 4.207 8.253 1.00 1.00 N ATOM 1020 CA TRP A 70 77.526 4.579 7.344 1.00 1.00 C ATOM 1021 C TRP A 70 77.098 4.352 5.893 1.00 1.00 C ATOM 1022 O TRP A 70 77.716 3.606 5.160 1.00 1.00 O ATOM 1023 CB TRP A 70 78.765 3.733 7.662 1.00 1.00 C ATOM 1024 CG TRP A 70 78.352 2.323 7.937 1.00 1.00 C ATOM 1025 CD1 TRP A 70 77.701 1.906 9.047 1.00 1.00 C ATOM 1026 CD2 TRP A 70 78.550 1.139 7.110 1.00 1.00 C ATOM 1027 NE1 TRP A 70 77.486 0.544 8.955 1.00 1.00 N ATOM 1028 CE2 TRP A 70 77.990 0.024 7.781 1.00 1.00 C ATOM 1029 CE3 TRP A 70 79.153 0.925 5.858 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 78.029 -1.258 7.226 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 79.194 -0.360 5.298 1.00 1.00 C ATOM 1032 CH2 TRP A 70 78.634 -1.450 5.979 1.00 1.00 C ATOM 0 H TRP A 70 76.546 3.353 8.793 1.00 1.00 H new ATOM 0 HA TRP A 70 77.774 5.630 7.489 1.00 1.00 H new ATOM 0 HB2 TRP A 70 79.462 3.762 6.825 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.287 4.145 8.526 1.00 1.00 H new ATOM 0 HD1 TRP A 70 77.398 2.535 9.871 1.00 1.00 H new ATOM 0 HE1 TRP A 70 77.012 -0.010 9.669 1.00 1.00 H new ATOM 0 HE3 TRP A 70 79.588 1.757 5.324 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 77.596 -2.094 7.755 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 79.660 -0.511 4.336 1.00 1.00 H new ATOM 0 HH2 TRP A 70 78.670 -2.437 5.542 1.00 1.00 H new ATOM 1043 N GLU A 71 76.042 4.996 5.476 1.00 1.00 N ATOM 1044 CA GLU A 71 75.562 4.831 4.075 1.00 1.00 C ATOM 1045 C GLU A 71 74.861 6.116 3.638 1.00 1.00 C ATOM 1046 O GLU A 71 74.478 6.275 2.496 1.00 1.00 O ATOM 1047 CB GLU A 71 74.586 3.647 4.012 1.00 1.00 C ATOM 1048 CG GLU A 71 73.166 4.132 4.310 1.00 1.00 C ATOM 1049 CD GLU A 71 72.521 4.647 3.022 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.473 3.893 2.064 1.00 1.00 O ATOM 1051 OE2 GLU A 71 72.087 5.787 3.015 1.00 1.00 O ATOM 0 H GLU A 71 75.488 5.633 6.049 1.00 1.00 H new ATOM 0 HA GLU A 71 76.402 4.634 3.408 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.623 3.185 3.025 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.879 2.884 4.733 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.572 3.318 4.726 1.00 1.00 H new ATOM 0 HG3 GLU A 71 73.191 4.924 5.059 1.00 1.00 H new ATOM 1058 N ALA A 72 74.688 7.032 4.548 1.00 1.00 N ATOM 1059 CA ALA A 72 74.008 8.308 4.204 1.00 1.00 C ATOM 1060 C ALA A 72 74.745 8.980 3.044 1.00 1.00 C ATOM 1061 O ALA A 72 74.294 9.967 2.499 1.00 1.00 O ATOM 1062 CB ALA A 72 74.016 9.226 5.428 1.00 1.00 C ATOM 0 H ALA A 72 74.990 6.950 5.519 1.00 1.00 H new ATOM 0 HA ALA A 72 72.978 8.111 3.906 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.519 10.164 5.182 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.490 8.741 6.250 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.045 9.428 5.725 1.00 1.00 H new ATOM 1068 N CYS A 73 75.872 8.447 2.654 1.00 1.00 N ATOM 1069 CA CYS A 73 76.628 9.053 1.522 1.00 1.00 C ATOM 1070 C CYS A 73 75.846 8.850 0.222 1.00 1.00 C ATOM 1071 O CYS A 73 76.407 8.530 -0.807 1.00 1.00 O ATOM 1072 CB CYS A 73 77.998 8.381 1.401 1.00 1.00 C ATOM 1073 SG CYS A 73 77.802 6.734 0.676 1.00 1.00 S ATOM 0 H CYS A 73 76.300 7.620 3.070 1.00 1.00 H new ATOM 0 HA CYS A 73 76.762 10.119 1.706 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.658 8.987 0.780 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.465 8.304 2.383 1.00 1.00 H new ATOM 0 HG CYS A 73 77.041 6.810 -0.375 1.00 1.00 H new ATOM 1078 N ASN A 74 74.553 9.028 0.260 1.00 1.00 N ATOM 1079 CA ASN A 74 73.737 8.841 -0.973 1.00 1.00 C ATOM 1080 C ASN A 74 74.392 9.585 -2.138 1.00 1.00 C ATOM 1081 O ASN A 74 74.043 9.392 -3.286 1.00 1.00 O ATOM 1082 CB ASN A 74 72.329 9.392 -0.740 1.00 1.00 C ATOM 1083 CG ASN A 74 71.588 8.495 0.253 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.128 8.954 1.279 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.452 7.224 -0.011 1.00 1.00 N ATOM 0 H ASN A 74 74.027 9.295 1.092 1.00 1.00 H new ATOM 0 HA ASN A 74 73.677 7.779 -1.211 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.385 10.410 -0.355 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.784 9.437 -1.683 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.960 6.617 0.644 1.00 1.00 H new ATOM 0 HD22 ASN A 74 71.838 6.838 -0.873 1.00 1.00 H new ATOM 1092 N HIS A 75 75.341 10.434 -1.852 1.00 1.00 N ATOM 1093 CA HIS A 75 76.019 11.188 -2.942 1.00 1.00 C ATOM 1094 C HIS A 75 76.553 10.207 -3.989 1.00 1.00 C ATOM 1095 O HIS A 75 76.250 10.310 -5.161 1.00 1.00 O ATOM 1096 CB HIS A 75 77.182 11.992 -2.355 1.00 1.00 C ATOM 1097 CG HIS A 75 77.960 12.637 -3.469 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.296 12.982 -3.334 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.603 13.005 -4.744 1.00 1.00 C ATOM 1100 CE1 HIS A 75 79.694 13.532 -4.495 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.701 13.570 -5.386 1.00 1.00 N ATOM 0 H HIS A 75 75.676 10.637 -0.910 1.00 1.00 H new ATOM 0 HA HIS A 75 75.307 11.866 -3.413 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.804 12.754 -1.673 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.833 11.339 -1.774 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.623 12.876 -5.180 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.693 13.897 -4.683 1.00 1.00 H new ATOM 0 HE2 HIS A 75 78.739 13.936 -6.337 1.00 1.00 H new ATOM 1110 N CYS A 76 77.347 9.257 -3.577 1.00 1.00 N ATOM 1111 CA CYS A 76 77.901 8.274 -4.551 1.00 1.00 C ATOM 1112 C CYS A 76 78.482 9.022 -5.752 1.00 1.00 C ATOM 1113 O CYS A 76 77.864 9.120 -6.794 1.00 1.00 O ATOM 1114 CB CYS A 76 76.785 7.336 -5.020 1.00 1.00 C ATOM 1115 SG CYS A 76 76.585 5.992 -3.824 1.00 1.00 S ATOM 0 H CYS A 76 77.636 9.119 -2.609 1.00 1.00 H new ATOM 0 HA CYS A 76 78.687 7.689 -4.073 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.851 7.888 -5.123 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.025 6.930 -6.003 1.00 1.00 H new ATOM 0 HG CYS A 76 75.636 5.196 -4.220 1.00 1.00 H new ATOM 1120 N GLU A 77 79.667 9.552 -5.614 1.00 1.00 N ATOM 1121 CA GLU A 77 80.292 10.296 -6.744 1.00 1.00 C ATOM 1122 C GLU A 77 80.266 9.432 -8.006 1.00 1.00 C ATOM 1123 O GLU A 77 79.885 8.279 -7.974 1.00 1.00 O ATOM 1124 CB GLU A 77 81.742 10.634 -6.389 1.00 1.00 C ATOM 1125 CG GLU A 77 82.496 9.349 -6.043 1.00 1.00 C ATOM 1126 CD GLU A 77 83.857 9.702 -5.439 1.00 1.00 C ATOM 1127 OE1 GLU A 77 84.745 10.058 -6.197 1.00 1.00 O ATOM 1128 OE2 GLU A 77 83.989 9.610 -4.230 1.00 1.00 O ATOM 0 H GLU A 77 80.230 9.501 -4.765 1.00 1.00 H new ATOM 0 HA GLU A 77 79.735 11.215 -6.924 1.00 1.00 H new ATOM 0 HB2 GLU A 77 82.225 11.137 -7.227 1.00 1.00 H new ATOM 0 HB3 GLU A 77 81.770 11.323 -5.545 1.00 1.00 H new ATOM 0 HG2 GLU A 77 81.917 8.754 -5.337 1.00 1.00 H new ATOM 0 HG3 GLU A 77 82.630 8.741 -6.938 1.00 1.00 H new ATOM 1135 N LEU A 78 80.669 9.983 -9.120 1.00 1.00 N ATOM 1136 CA LEU A 78 80.668 9.196 -10.386 1.00 1.00 C ATOM 1137 C LEU A 78 81.583 7.978 -10.231 1.00 1.00 C ATOM 1138 O LEU A 78 82.515 7.984 -9.453 1.00 1.00 O ATOM 1139 CB LEU A 78 81.178 10.074 -11.532 1.00 1.00 C ATOM 1140 CG LEU A 78 80.070 11.030 -11.977 1.00 1.00 C ATOM 1141 CD1 LEU A 78 79.685 11.944 -10.812 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.570 11.880 -13.146 1.00 1.00 C ATOM 0 H LEU A 78 80.999 10.944 -9.207 1.00 1.00 H new ATOM 0 HA LEU A 78 79.654 8.863 -10.606 1.00 1.00 H new ATOM 0 HB2 LEU A 78 82.052 10.639 -11.209 1.00 1.00 H new ATOM 0 HB3 LEU A 78 81.493 9.451 -12.369 1.00 1.00 H new ATOM 0 HG LEU A 78 79.199 10.455 -12.291 1.00 1.00 H new ATOM 0 HD11 LEU A 78 78.895 12.625 -11.129 1.00 1.00 H new ATOM 0 HD12 LEU A 78 79.329 11.340 -9.978 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.556 12.519 -10.498 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.781 12.562 -13.464 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.441 12.455 -12.832 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.845 11.230 -13.977 1.00 1.00 H new