USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=8 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 -19:sc= -0.332! USER MOD Single : A 62 THR OG1 : rot -48:sc= 1.1 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -2.12 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.122 F(o=-2.9!,f=-0.12) USER MOD Single : A 75 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-3.4!) USER MOD Single : A 76 CYS SG : rot 45:sc= -3.06! USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 84.050 0.193 -10.258 1.00 1.00 N ATOM 878 CA GLY A 59 83.504 -1.018 -10.941 1.00 1.00 C ATOM 879 C GLY A 59 81.980 -1.042 -10.806 1.00 1.00 C ATOM 880 O GLY A 59 81.403 -2.023 -10.382 1.00 1.00 O ATOM 0 HA2 GLY A 59 83.786 -1.012 -11.994 1.00 1.00 H new ATOM 0 HA3 GLY A 59 83.932 -1.919 -10.502 1.00 1.00 H new ATOM 884 N CYS A 60 81.321 0.028 -11.163 1.00 1.00 N ATOM 885 CA CYS A 60 79.834 0.054 -11.050 1.00 1.00 C ATOM 886 C CYS A 60 79.247 0.910 -12.175 1.00 1.00 C ATOM 887 O CYS A 60 79.625 0.790 -13.324 1.00 1.00 O ATOM 888 CB CYS A 60 79.432 0.653 -9.701 1.00 1.00 C ATOM 889 SG CYS A 60 80.371 -0.149 -8.378 1.00 1.00 S ATOM 0 H CYS A 60 81.746 0.881 -11.526 1.00 1.00 H new ATOM 0 HA CYS A 60 79.452 -0.964 -11.128 1.00 1.00 H new ATOM 0 HB2 CYS A 60 79.622 1.726 -9.697 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.363 0.518 -9.536 1.00 1.00 H new ATOM 0 HG CYS A 60 80.842 -1.283 -8.806 1.00 1.00 H new ATOM 894 N GLY A 61 78.320 1.771 -11.849 1.00 1.00 N ATOM 895 CA GLY A 61 77.697 2.640 -12.888 1.00 1.00 C ATOM 896 C GLY A 61 76.214 2.825 -12.568 1.00 1.00 C ATOM 897 O GLY A 61 75.453 1.880 -12.558 1.00 1.00 O ATOM 0 H GLY A 61 77.966 1.910 -10.902 1.00 1.00 H new ATOM 0 HA2 GLY A 61 78.198 3.608 -12.918 1.00 1.00 H new ATOM 0 HA3 GLY A 61 77.815 2.190 -13.874 1.00 1.00 H new ATOM 901 N THR A 62 75.804 4.041 -12.303 1.00 1.00 N ATOM 902 CA THR A 62 74.371 4.314 -11.974 1.00 1.00 C ATOM 903 C THR A 62 73.794 3.175 -11.129 1.00 1.00 C ATOM 904 O THR A 62 72.598 2.965 -11.090 1.00 1.00 O ATOM 905 CB THR A 62 73.556 4.478 -13.265 1.00 1.00 C ATOM 906 OG1 THR A 62 72.186 4.660 -12.938 1.00 1.00 O ATOM 907 CG2 THR A 62 73.714 3.228 -14.133 1.00 1.00 C ATOM 0 H THR A 62 76.407 4.864 -12.301 1.00 1.00 H new ATOM 0 HA THR A 62 74.314 5.239 -11.400 1.00 1.00 H new ATOM 0 HB THR A 62 73.917 5.347 -13.815 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.913 3.983 -12.285 1.00 1.00 H new ATOM 0 HG21 THR A 62 73.135 3.346 -15.049 1.00 1.00 H new ATOM 0 HG22 THR A 62 74.766 3.090 -14.384 1.00 1.00 H new ATOM 0 HG23 THR A 62 73.354 2.357 -13.586 1.00 1.00 H new ATOM 915 N ASP A 63 74.633 2.447 -10.441 1.00 1.00 N ATOM 916 CA ASP A 63 74.124 1.337 -9.588 1.00 1.00 C ATOM 917 C ASP A 63 73.319 1.943 -8.439 1.00 1.00 C ATOM 918 O ASP A 63 73.786 2.039 -7.321 1.00 1.00 O ATOM 919 CB ASP A 63 75.302 0.536 -9.026 1.00 1.00 C ATOM 920 CG ASP A 63 75.803 -0.448 -10.085 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.894 -0.053 -11.236 1.00 1.00 O ATOM 922 OD2 ASP A 63 76.086 -1.579 -9.727 1.00 1.00 O ATOM 0 H ASP A 63 75.645 2.573 -10.433 1.00 1.00 H new ATOM 0 HA ASP A 63 73.494 0.670 -10.177 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.106 1.210 -8.732 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.994 -0.003 -8.130 1.00 1.00 H new ATOM 927 N ILE A 64 72.116 2.362 -8.713 1.00 1.00 N ATOM 928 CA ILE A 64 71.275 2.980 -7.652 1.00 1.00 C ATOM 929 C ILE A 64 69.883 3.231 -8.219 1.00 1.00 C ATOM 930 O ILE A 64 68.950 3.563 -7.514 1.00 1.00 O ATOM 931 CB ILE A 64 71.912 4.301 -7.216 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.177 4.839 -5.986 1.00 1.00 C ATOM 933 CG2 ILE A 64 71.810 5.318 -8.354 1.00 1.00 C ATOM 934 CD1 ILE A 64 71.955 6.019 -5.402 1.00 1.00 C ATOM 0 H ILE A 64 71.677 2.302 -9.632 1.00 1.00 H new ATOM 0 HA ILE A 64 71.202 2.319 -6.789 1.00 1.00 H new ATOM 0 HB ILE A 64 72.961 4.134 -6.971 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.170 5.154 -6.260 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.073 4.053 -5.238 1.00 1.00 H new ATOM 0 HG21 ILE A 64 72.264 6.259 -8.043 1.00 1.00 H new ATOM 0 HG22 ILE A 64 72.332 4.936 -9.231 1.00 1.00 H new ATOM 0 HG23 ILE A 64 70.761 5.485 -8.600 1.00 1.00 H new ATOM 0 HD11 ILE A 64 71.432 6.402 -4.526 1.00 1.00 H new ATOM 0 HD12 ILE A 64 72.953 5.690 -5.113 1.00 1.00 H new ATOM 0 HD13 ILE A 64 72.036 6.808 -6.150 1.00 1.00 H new ATOM 946 N THR A 65 69.749 3.056 -9.497 1.00 1.00 N ATOM 947 CA THR A 65 68.438 3.257 -10.168 1.00 1.00 C ATOM 948 C THR A 65 68.336 2.223 -11.283 1.00 1.00 C ATOM 949 O THR A 65 67.281 1.697 -11.576 1.00 1.00 O ATOM 950 CB THR A 65 68.372 4.669 -10.757 1.00 1.00 C ATOM 951 OG1 THR A 65 68.309 5.617 -9.702 1.00 1.00 O ATOM 952 CG2 THR A 65 67.129 4.799 -11.638 1.00 1.00 C ATOM 0 H THR A 65 70.507 2.776 -10.120 1.00 1.00 H new ATOM 0 HA THR A 65 67.617 3.142 -9.461 1.00 1.00 H new ATOM 0 HB THR A 65 69.261 4.854 -11.359 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.268 6.522 -10.077 1.00 1.00 H new ATOM 0 HG21 THR A 65 67.083 5.804 -12.057 1.00 1.00 H new ATOM 0 HG22 THR A 65 67.179 4.071 -12.448 1.00 1.00 H new ATOM 0 HG23 THR A 65 66.237 4.615 -11.039 1.00 1.00 H new ATOM 960 N VAL A 66 69.451 1.911 -11.885 1.00 1.00 N ATOM 961 CA VAL A 66 69.468 0.890 -12.963 1.00 1.00 C ATOM 962 C VAL A 66 69.868 -0.447 -12.343 1.00 1.00 C ATOM 963 O VAL A 66 69.291 -1.475 -12.635 1.00 1.00 O ATOM 964 CB VAL A 66 70.488 1.286 -14.030 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.434 0.285 -15.186 1.00 1.00 C ATOM 966 CG2 VAL A 66 70.159 2.686 -14.554 1.00 1.00 C ATOM 0 H VAL A 66 70.358 2.326 -11.672 1.00 1.00 H new ATOM 0 HA VAL A 66 68.485 0.814 -13.428 1.00 1.00 H new ATOM 0 HB VAL A 66 71.487 1.285 -13.595 1.00 1.00 H new ATOM 0 HG11 VAL A 66 71.162 0.568 -15.947 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.667 -0.713 -14.814 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.435 0.286 -15.622 1.00 1.00 H new ATOM 0 HG21 VAL A 66 70.886 2.970 -15.315 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.159 2.686 -14.989 1.00 1.00 H new ATOM 0 HG23 VAL A 66 70.197 3.401 -13.732 1.00 1.00 H new ATOM 976 N ILE A 67 70.843 -0.436 -11.466 1.00 1.00 N ATOM 977 CA ILE A 67 71.267 -1.704 -10.805 1.00 1.00 C ATOM 978 C ILE A 67 71.435 -1.454 -9.314 1.00 1.00 C ATOM 979 O ILE A 67 72.489 -1.065 -8.855 1.00 1.00 O ATOM 980 CB ILE A 67 72.602 -2.197 -11.368 1.00 1.00 C ATOM 981 CG1 ILE A 67 72.405 -2.660 -12.813 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.112 -3.367 -10.524 1.00 1.00 C ATOM 983 CD1 ILE A 67 71.911 -4.108 -12.823 1.00 1.00 C ATOM 0 H ILE A 67 71.361 0.396 -11.182 1.00 1.00 H new ATOM 0 HA ILE A 67 70.504 -2.460 -10.990 1.00 1.00 H new ATOM 0 HB ILE A 67 73.329 -1.386 -11.341 1.00 1.00 H new ATOM 0 HG12 ILE A 67 71.685 -2.016 -13.317 1.00 1.00 H new ATOM 0 HG13 ILE A 67 73.343 -2.581 -13.362 1.00 1.00 H new ATOM 0 HG21 ILE A 67 74.063 -3.718 -10.925 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.252 -3.039 -9.494 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.385 -4.179 -10.551 1.00 1.00 H new ATOM 0 HD11 ILE A 67 71.771 -4.437 -13.852 1.00 1.00 H new ATOM 0 HD12 ILE A 67 72.647 -4.747 -12.335 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.963 -4.173 -12.289 1.00 1.00 H new ATOM 995 N CYS A 68 70.413 -1.692 -8.554 1.00 1.00 N ATOM 996 CA CYS A 68 70.517 -1.492 -7.085 1.00 1.00 C ATOM 997 C CYS A 68 70.972 -2.810 -6.444 1.00 1.00 C ATOM 998 O CYS A 68 70.255 -3.790 -6.468 1.00 1.00 O ATOM 999 CB CYS A 68 69.146 -1.091 -6.534 1.00 1.00 C ATOM 1000 SG CYS A 68 69.022 0.714 -6.474 1.00 1.00 S ATOM 0 H CYS A 68 69.505 -2.018 -8.885 1.00 1.00 H new ATOM 0 HA CYS A 68 71.236 -0.705 -6.858 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.356 -1.499 -7.164 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.007 -1.509 -5.537 1.00 1.00 H new ATOM 0 HG CYS A 68 67.857 1.054 -6.008 1.00 1.00 H new ATOM 1005 N PRO A 69 72.167 -2.855 -5.897 1.00 1.00 N ATOM 1006 CA PRO A 69 72.720 -4.095 -5.270 1.00 1.00 C ATOM 1007 C PRO A 69 71.705 -4.829 -4.387 1.00 1.00 C ATOM 1008 O PRO A 69 72.009 -5.850 -3.802 1.00 1.00 O ATOM 1009 CB PRO A 69 73.890 -3.582 -4.434 1.00 1.00 C ATOM 1010 CG PRO A 69 74.354 -2.350 -5.140 1.00 1.00 C ATOM 1011 CD PRO A 69 73.122 -1.737 -5.815 1.00 1.00 C ATOM 0 HA PRO A 69 73.004 -4.829 -6.024 1.00 1.00 H new ATOM 0 HB2 PRO A 69 73.579 -3.359 -3.413 1.00 1.00 H new ATOM 0 HB3 PRO A 69 74.686 -4.324 -4.370 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.800 -1.646 -4.437 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.119 -2.592 -5.878 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.718 -0.909 -5.232 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.362 -1.344 -6.803 1.00 1.00 H new ATOM 1019 N TRP A 70 70.505 -4.330 -4.287 1.00 1.00 N ATOM 1020 CA TRP A 70 69.490 -5.018 -3.448 1.00 1.00 C ATOM 1021 C TRP A 70 69.031 -6.291 -4.162 1.00 1.00 C ATOM 1022 O TRP A 70 68.282 -7.080 -3.622 1.00 1.00 O ATOM 1023 CB TRP A 70 68.292 -4.086 -3.224 1.00 1.00 C ATOM 1024 CG TRP A 70 67.540 -4.521 -2.008 1.00 1.00 C ATOM 1025 CD1 TRP A 70 68.085 -4.717 -0.785 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.119 -4.819 -1.874 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.091 -5.114 0.090 1.00 1.00 N ATOM 1028 CE2 TRP A 70 65.862 -5.192 -0.532 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.040 -4.801 -2.775 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 64.577 -5.536 -0.102 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 63.750 -5.145 -2.347 1.00 1.00 C ATOM 1032 CH2 TRP A 70 63.518 -5.512 -1.015 1.00 1.00 C ATOM 0 H TRP A 70 70.186 -3.478 -4.749 1.00 1.00 H new ATOM 0 HA TRP A 70 69.924 -5.278 -2.482 1.00 1.00 H new ATOM 0 HB2 TRP A 70 68.635 -3.058 -3.104 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.637 -4.103 -4.095 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.127 -4.585 -0.533 1.00 1.00 H new ATOM 0 HE1 TRP A 70 67.247 -5.324 1.076 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.206 -4.520 -3.805 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 64.404 -5.818 0.926 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 62.929 -5.127 -3.049 1.00 1.00 H new ATOM 0 HH2 TRP A 70 62.521 -5.776 -0.693 1.00 1.00 H new ATOM 1043 N GLU A 71 69.478 -6.503 -5.375 1.00 1.00 N ATOM 1044 CA GLU A 71 69.065 -7.732 -6.112 1.00 1.00 C ATOM 1045 C GLU A 71 70.185 -8.153 -7.066 1.00 1.00 C ATOM 1046 O GLU A 71 70.137 -9.206 -7.671 1.00 1.00 O ATOM 1047 CB GLU A 71 67.790 -7.448 -6.910 1.00 1.00 C ATOM 1048 CG GLU A 71 66.640 -7.148 -5.946 1.00 1.00 C ATOM 1049 CD GLU A 71 65.317 -7.144 -6.714 1.00 1.00 C ATOM 1050 OE1 GLU A 71 65.308 -6.669 -7.838 1.00 1.00 O ATOM 1051 OE2 GLU A 71 64.336 -7.617 -6.165 1.00 1.00 O ATOM 0 H GLU A 71 70.107 -5.881 -5.882 1.00 1.00 H new ATOM 0 HA GLU A 71 68.873 -8.535 -5.401 1.00 1.00 H new ATOM 0 HB2 GLU A 71 67.948 -6.602 -7.579 1.00 1.00 H new ATOM 0 HB3 GLU A 71 67.541 -8.306 -7.535 1.00 1.00 H new ATOM 0 HG2 GLU A 71 66.611 -7.897 -5.154 1.00 1.00 H new ATOM 0 HG3 GLU A 71 66.797 -6.182 -5.466 1.00 1.00 H new ATOM 1058 N ALA A 72 71.196 -7.339 -7.204 1.00 1.00 N ATOM 1059 CA ALA A 72 72.319 -7.690 -8.118 1.00 1.00 C ATOM 1060 C ALA A 72 73.229 -8.725 -7.447 1.00 1.00 C ATOM 1061 O ALA A 72 73.207 -9.893 -7.783 1.00 1.00 O ATOM 1062 CB ALA A 72 73.124 -6.427 -8.447 1.00 1.00 C ATOM 0 H ALA A 72 71.292 -6.445 -6.722 1.00 1.00 H new ATOM 0 HA ALA A 72 71.917 -8.113 -9.039 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.946 -6.683 -9.116 1.00 1.00 H new ATOM 0 HB2 ALA A 72 72.475 -5.698 -8.932 1.00 1.00 H new ATOM 0 HB3 ALA A 72 73.524 -6.001 -7.527 1.00 1.00 H new ATOM 1068 N CYS A 73 74.032 -8.309 -6.505 1.00 1.00 N ATOM 1069 CA CYS A 73 74.941 -9.272 -5.823 1.00 1.00 C ATOM 1070 C CYS A 73 74.115 -10.394 -5.189 1.00 1.00 C ATOM 1071 O CYS A 73 74.035 -11.488 -5.711 1.00 1.00 O ATOM 1072 CB CYS A 73 75.736 -8.547 -4.735 1.00 1.00 C ATOM 1073 SG CYS A 73 77.022 -9.648 -4.095 1.00 1.00 S ATOM 0 H CYS A 73 74.097 -7.345 -6.179 1.00 1.00 H new ATOM 0 HA CYS A 73 75.631 -9.696 -6.553 1.00 1.00 H new ATOM 0 HB2 CYS A 73 76.186 -7.641 -5.141 1.00 1.00 H new ATOM 0 HB3 CYS A 73 75.071 -8.239 -3.928 1.00 1.00 H new ATOM 0 HG CYS A 73 77.700 -9.033 -3.172 1.00 1.00 H new ATOM 1078 N ASN A 74 73.499 -10.130 -4.067 1.00 1.00 N ATOM 1079 CA ASN A 74 72.674 -11.178 -3.396 1.00 1.00 C ATOM 1080 C ASN A 74 71.375 -10.550 -2.893 1.00 1.00 C ATOM 1081 O ASN A 74 71.376 -9.734 -1.995 1.00 1.00 O ATOM 1082 CB ASN A 74 73.450 -11.758 -2.212 1.00 1.00 C ATOM 1083 CG ASN A 74 72.756 -13.029 -1.719 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.660 -13.428 -2.305 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 73.215 -13.665 -0.791 1.00 1.00 N flip ATOM 0 H ASN A 74 73.532 -9.232 -3.585 1.00 1.00 H new ATOM 0 HA ASN A 74 72.447 -11.974 -4.105 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.474 -11.983 -2.510 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.506 -11.026 -1.406 1.00 1.00 H new ATOM 0 HD21 ASN A 74 74.071 -13.353 -0.333 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.744 -14.511 -0.470 1.00 1.00 H new ATOM 1092 N HIS A 75 70.266 -10.919 -3.468 1.00 1.00 N ATOM 1093 CA HIS A 75 68.968 -10.337 -3.027 1.00 1.00 C ATOM 1094 C HIS A 75 68.748 -10.626 -1.540 1.00 1.00 C ATOM 1095 O HIS A 75 68.022 -11.530 -1.178 1.00 1.00 O ATOM 1096 CB HIS A 75 67.833 -10.963 -3.841 1.00 1.00 C ATOM 1097 CG HIS A 75 68.044 -12.449 -3.936 1.00 1.00 C ATOM 1098 ND1 HIS A 75 67.605 -13.322 -2.952 1.00 1.00 N ATOM 1099 CD2 HIS A 75 68.645 -13.232 -4.892 1.00 1.00 C ATOM 1100 CE1 HIS A 75 67.944 -14.567 -3.332 1.00 1.00 C ATOM 1101 NE2 HIS A 75 68.579 -14.567 -4.506 1.00 1.00 N ATOM 0 H HIS A 75 70.202 -11.599 -4.225 1.00 1.00 H new ATOM 0 HA HIS A 75 68.983 -9.258 -3.184 1.00 1.00 H new ATOM 0 HB2 HIS A 75 66.873 -10.751 -3.370 1.00 1.00 H new ATOM 0 HB3 HIS A 75 67.802 -10.525 -4.839 1.00 1.00 H new ATOM 0 HD1 HIS A 75 67.114 -13.066 -2.095 1.00 1.00 H new ATOM 0 HD2 HIS A 75 69.098 -12.868 -5.802 1.00 1.00 H new ATOM 0 HE1 HIS A 75 67.729 -15.456 -2.758 1.00 1.00 H new ATOM 1110 N CYS A 76 69.359 -9.864 -0.670 1.00 1.00 N ATOM 1111 CA CYS A 76 69.166 -10.105 0.788 1.00 1.00 C ATOM 1112 C CYS A 76 67.985 -9.266 1.290 1.00 1.00 C ATOM 1113 O CYS A 76 68.152 -8.251 1.933 1.00 1.00 O ATOM 1114 CB CYS A 76 70.443 -9.725 1.547 1.00 1.00 C ATOM 1115 SG CYS A 76 70.555 -7.924 1.683 1.00 1.00 S ATOM 0 H CYS A 76 69.980 -9.090 -0.906 1.00 1.00 H new ATOM 0 HA CYS A 76 68.954 -11.160 0.960 1.00 1.00 H new ATOM 0 HB2 CYS A 76 70.436 -10.175 2.540 1.00 1.00 H new ATOM 0 HB3 CYS A 76 71.317 -10.116 1.026 1.00 1.00 H new ATOM 0 HG CYS A 76 69.398 -7.442 2.026 1.00 1.00 H new ATOM 1120 N GLU A 77 66.785 -9.681 0.993 1.00 1.00 N ATOM 1121 CA GLU A 77 65.590 -8.911 1.443 1.00 1.00 C ATOM 1122 C GLU A 77 65.576 -8.813 2.975 1.00 1.00 C ATOM 1123 O GLU A 77 64.846 -9.515 3.646 1.00 1.00 O ATOM 1124 CB GLU A 77 64.319 -9.622 0.958 1.00 1.00 C ATOM 1125 CG GLU A 77 63.874 -9.019 -0.376 1.00 1.00 C ATOM 1126 CD GLU A 77 62.695 -9.819 -0.931 1.00 1.00 C ATOM 1127 OE1 GLU A 77 62.608 -10.997 -0.626 1.00 1.00 O ATOM 1128 OE2 GLU A 77 61.898 -9.241 -1.651 1.00 1.00 O ATOM 0 H GLU A 77 66.579 -10.523 0.456 1.00 1.00 H new ATOM 0 HA GLU A 77 65.629 -7.905 1.025 1.00 1.00 H new ATOM 0 HB2 GLU A 77 64.508 -10.689 0.842 1.00 1.00 H new ATOM 0 HB3 GLU A 77 63.526 -9.518 1.699 1.00 1.00 H new ATOM 0 HG2 GLU A 77 63.587 -7.977 -0.238 1.00 1.00 H new ATOM 0 HG3 GLU A 77 64.701 -9.030 -1.086 1.00 1.00 H new ATOM 1135 N LEU A 78 66.367 -7.934 3.528 1.00 1.00 N ATOM 1136 CA LEU A 78 66.393 -7.770 5.011 1.00 1.00 C ATOM 1137 C LEU A 78 67.042 -6.426 5.348 1.00 1.00 C ATOM 1138 O LEU A 78 67.192 -5.574 4.494 1.00 1.00 O ATOM 1139 CB LEU A 78 67.191 -8.912 5.657 1.00 1.00 C ATOM 1140 CG LEU A 78 68.390 -9.265 4.776 1.00 1.00 C ATOM 1141 CD1 LEU A 78 69.309 -8.048 4.650 1.00 1.00 C ATOM 1142 CD2 LEU A 78 69.164 -10.423 5.410 1.00 1.00 C ATOM 0 H LEU A 78 66.999 -7.320 3.015 1.00 1.00 H new ATOM 0 HA LEU A 78 65.375 -7.797 5.399 1.00 1.00 H new ATOM 0 HB2 LEU A 78 67.531 -8.615 6.649 1.00 1.00 H new ATOM 0 HB3 LEU A 78 66.553 -9.786 5.787 1.00 1.00 H new ATOM 0 HG LEU A 78 68.039 -9.559 3.787 1.00 1.00 H new ATOM 0 HD11 LEU A 78 70.163 -8.301 4.022 1.00 1.00 H new ATOM 0 HD12 LEU A 78 68.759 -7.222 4.199 1.00 1.00 H new ATOM 0 HD13 LEU A 78 69.660 -7.753 5.639 1.00 1.00 H new ATOM 0 HD21 LEU A 78 70.019 -10.676 4.783 1.00 1.00 H new ATOM 0 HD22 LEU A 78 69.514 -10.128 6.399 1.00 1.00 H new ATOM 0 HD23 LEU A 78 68.511 -11.291 5.500 1.00 1.00 H new