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 -62:sc= 0.745 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 30:sc= -0.468 USER MOD Single : A 73 CYS SG : rot 80:sc= 0.00952 USER MOD Single : A 74 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.32) USER MOD Single : A 75 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-0.51) USER MOD Single : A 76 CYS SG : rot 160:sc= 0.0033 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 70.848 10.292 2.001 1.00 1.00 N ATOM 878 CA GLY A 59 71.350 10.467 0.609 1.00 1.00 C ATOM 879 C GLY A 59 72.514 11.460 0.607 1.00 1.00 C ATOM 880 O GLY A 59 72.414 12.549 1.137 1.00 1.00 O ATOM 0 HA2 GLY A 59 71.675 9.508 0.205 1.00 1.00 H new ATOM 0 HA3 GLY A 59 70.549 10.829 -0.035 1.00 1.00 H new ATOM 884 N CYS A 60 73.619 11.093 0.017 1.00 1.00 N ATOM 885 CA CYS A 60 74.788 12.017 -0.016 1.00 1.00 C ATOM 886 C CYS A 60 74.588 13.053 -1.125 1.00 1.00 C ATOM 887 O CYS A 60 75.478 13.817 -1.441 1.00 1.00 O ATOM 888 CB CYS A 60 76.065 11.213 -0.282 1.00 1.00 C ATOM 889 SG CYS A 60 76.942 10.941 1.278 1.00 1.00 S ATOM 0 H CYS A 60 73.763 10.194 -0.443 1.00 1.00 H new ATOM 0 HA CYS A 60 74.877 12.529 0.942 1.00 1.00 H new ATOM 0 HB2 CYS A 60 75.816 10.257 -0.743 1.00 1.00 H new ATOM 0 HB3 CYS A 60 76.705 11.748 -0.983 1.00 1.00 H new ATOM 0 HG CYS A 60 78.024 10.257 1.054 1.00 1.00 H new ATOM 894 N GLY A 61 73.425 13.088 -1.719 1.00 1.00 N ATOM 895 CA GLY A 61 73.172 14.078 -2.806 1.00 1.00 C ATOM 896 C GLY A 61 72.150 13.512 -3.793 1.00 1.00 C ATOM 897 O GLY A 61 72.090 13.916 -4.937 1.00 1.00 O ATOM 0 H GLY A 61 72.640 12.475 -1.499 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.803 15.012 -2.382 1.00 1.00 H new ATOM 0 HA3 GLY A 61 74.103 14.309 -3.324 1.00 1.00 H new ATOM 901 N THR A 62 71.346 12.578 -3.361 1.00 1.00 N ATOM 902 CA THR A 62 70.326 11.983 -4.274 1.00 1.00 C ATOM 903 C THR A 62 71.025 11.235 -5.410 1.00 1.00 C ATOM 904 O THR A 62 70.493 10.292 -5.962 1.00 1.00 O ATOM 905 CB THR A 62 69.445 13.091 -4.860 1.00 1.00 C ATOM 906 OG1 THR A 62 70.060 13.614 -6.029 1.00 1.00 O ATOM 907 CG2 THR A 62 69.272 14.207 -3.829 1.00 1.00 C ATOM 0 H THR A 62 71.351 12.200 -2.414 1.00 1.00 H new ATOM 0 HA THR A 62 69.705 11.288 -3.710 1.00 1.00 H new ATOM 0 HB THR A 62 68.468 12.682 -5.115 1.00 1.00 H new ATOM 0 HG1 THR A 62 70.922 14.017 -5.793 1.00 1.00 H new ATOM 0 HG21 THR A 62 68.645 14.995 -4.247 1.00 1.00 H new ATOM 0 HG22 THR A 62 68.800 13.804 -2.933 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.248 14.619 -3.571 1.00 1.00 H new ATOM 915 N ASP A 63 72.215 11.639 -5.764 1.00 1.00 N ATOM 916 CA ASP A 63 72.941 10.941 -6.859 1.00 1.00 C ATOM 917 C ASP A 63 73.323 9.536 -6.391 1.00 1.00 C ATOM 918 O ASP A 63 74.310 8.974 -6.821 1.00 1.00 O ATOM 919 CB ASP A 63 74.207 11.723 -7.213 1.00 1.00 C ATOM 920 CG ASP A 63 74.776 11.203 -8.534 1.00 1.00 C ATOM 921 OD1 ASP A 63 75.539 10.251 -8.495 1.00 1.00 O ATOM 922 OD2 ASP A 63 74.440 11.766 -9.564 1.00 1.00 O ATOM 0 H ASP A 63 72.714 12.422 -5.342 1.00 1.00 H new ATOM 0 HA ASP A 63 72.301 10.874 -7.739 1.00 1.00 H new ATOM 0 HB2 ASP A 63 73.979 12.786 -7.296 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.947 11.617 -6.419 1.00 1.00 H new ATOM 927 N ILE A 64 72.548 8.968 -5.506 1.00 1.00 N ATOM 928 CA ILE A 64 72.863 7.601 -5.000 1.00 1.00 C ATOM 929 C ILE A 64 71.558 6.837 -4.758 1.00 1.00 C ATOM 930 O ILE A 64 71.457 5.659 -5.036 1.00 1.00 O ATOM 931 CB ILE A 64 73.648 7.721 -3.689 1.00 1.00 C ATOM 932 CG1 ILE A 64 73.557 6.402 -2.919 1.00 1.00 C ATOM 933 CG2 ILE A 64 73.056 8.847 -2.840 1.00 1.00 C ATOM 934 CD1 ILE A 64 74.639 6.365 -1.838 1.00 1.00 C ATOM 0 H ILE A 64 71.709 9.393 -5.111 1.00 1.00 H new ATOM 0 HA ILE A 64 73.463 7.061 -5.733 1.00 1.00 H new ATOM 0 HB ILE A 64 74.692 7.943 -3.910 1.00 1.00 H new ATOM 0 HG12 ILE A 64 72.571 6.301 -2.465 1.00 1.00 H new ATOM 0 HG13 ILE A 64 73.681 5.561 -3.601 1.00 1.00 H new ATOM 0 HG21 ILE A 64 73.614 8.932 -1.908 1.00 1.00 H new ATOM 0 HG22 ILE A 64 73.119 9.787 -3.388 1.00 1.00 H new ATOM 0 HG23 ILE A 64 72.012 8.625 -2.619 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.574 5.425 -1.290 1.00 1.00 H new ATOM 0 HD12 ILE A 64 75.621 6.446 -2.303 1.00 1.00 H new ATOM 0 HD13 ILE A 64 74.494 7.197 -1.149 1.00 1.00 H new ATOM 946 N THR A 65 70.560 7.498 -4.242 1.00 1.00 N ATOM 947 CA THR A 65 69.265 6.808 -3.981 1.00 1.00 C ATOM 948 C THR A 65 68.615 6.415 -5.309 1.00 1.00 C ATOM 949 O THR A 65 68.066 5.340 -5.447 1.00 1.00 O ATOM 950 CB THR A 65 68.332 7.748 -3.213 1.00 1.00 C ATOM 951 OG1 THR A 65 69.029 8.305 -2.108 1.00 1.00 O ATOM 952 CG2 THR A 65 67.117 6.966 -2.711 1.00 1.00 C ATOM 0 H THR A 65 70.584 8.486 -3.990 1.00 1.00 H new ATOM 0 HA THR A 65 69.446 5.911 -3.389 1.00 1.00 H new ATOM 0 HB THR A 65 67.998 8.548 -3.873 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.434 8.908 -1.616 1.00 1.00 H new ATOM 0 HG21 THR A 65 66.453 7.636 -2.164 1.00 1.00 H new ATOM 0 HG22 THR A 65 66.583 6.539 -3.560 1.00 1.00 H new ATOM 0 HG23 THR A 65 67.448 6.165 -2.050 1.00 1.00 H new ATOM 960 N VAL A 66 68.669 7.278 -6.289 1.00 1.00 N ATOM 961 CA VAL A 66 68.050 6.953 -7.608 1.00 1.00 C ATOM 962 C VAL A 66 69.126 6.433 -8.565 1.00 1.00 C ATOM 963 O VAL A 66 68.897 5.514 -9.325 1.00 1.00 O ATOM 964 CB VAL A 66 67.408 8.214 -8.194 1.00 1.00 C ATOM 965 CG1 VAL A 66 66.064 8.469 -7.510 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.332 9.411 -7.960 1.00 1.00 C ATOM 0 H VAL A 66 69.115 8.194 -6.233 1.00 1.00 H new ATOM 0 HA VAL A 66 67.287 6.187 -7.472 1.00 1.00 H new ATOM 0 HB VAL A 66 67.251 8.077 -9.264 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.608 9.367 -7.928 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.405 7.617 -7.674 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.220 8.606 -6.440 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.876 10.309 -8.377 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.488 9.546 -6.890 1.00 1.00 H new ATOM 0 HG23 VAL A 66 69.291 9.231 -8.447 1.00 1.00 H new ATOM 976 N ILE A 67 70.297 7.013 -8.533 1.00 1.00 N ATOM 977 CA ILE A 67 71.392 6.554 -9.440 1.00 1.00 C ATOM 978 C ILE A 67 72.680 6.390 -8.631 1.00 1.00 C ATOM 979 O ILE A 67 73.257 7.353 -8.167 1.00 1.00 O ATOM 980 CB ILE A 67 71.617 7.597 -10.538 1.00 1.00 C ATOM 981 CG1 ILE A 67 70.389 7.649 -11.449 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.847 7.213 -11.363 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.193 6.288 -12.121 1.00 1.00 C ATOM 0 H ILE A 67 70.544 7.787 -7.916 1.00 1.00 H new ATOM 0 HA ILE A 67 71.115 5.602 -9.892 1.00 1.00 H new ATOM 0 HB ILE A 67 71.776 8.575 -10.083 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.504 7.911 -10.869 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.516 8.424 -12.204 1.00 1.00 H new ATOM 0 HG21 ILE A 67 73.007 7.956 -12.145 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.722 7.174 -10.715 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.689 6.235 -11.818 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.318 6.325 -12.770 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.075 6.045 -12.714 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.047 5.523 -11.358 1.00 1.00 H new ATOM 995 N CYS A 68 73.133 5.176 -8.457 1.00 1.00 N ATOM 996 CA CYS A 68 74.383 4.944 -7.677 1.00 1.00 C ATOM 997 C CYS A 68 75.392 4.185 -8.545 1.00 1.00 C ATOM 998 O CYS A 68 75.020 3.405 -9.399 1.00 1.00 O ATOM 999 CB CYS A 68 74.056 4.115 -6.434 1.00 1.00 C ATOM 1000 SG CYS A 68 73.039 2.693 -6.905 1.00 1.00 S ATOM 0 H CYS A 68 72.689 4.333 -8.823 1.00 1.00 H new ATOM 0 HA CYS A 68 74.810 5.901 -7.377 1.00 1.00 H new ATOM 0 HB2 CYS A 68 74.976 3.776 -5.958 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.527 4.728 -5.704 1.00 1.00 H new ATOM 0 HG CYS A 68 73.335 2.331 -8.118 1.00 1.00 H new ATOM 1005 N PRO A 69 76.666 4.404 -8.327 1.00 1.00 N ATOM 1006 CA PRO A 69 77.739 3.721 -9.101 1.00 1.00 C ATOM 1007 C PRO A 69 77.404 2.252 -9.374 1.00 1.00 C ATOM 1008 O PRO A 69 77.881 1.660 -10.322 1.00 1.00 O ATOM 1009 CB PRO A 69 78.959 3.839 -8.188 1.00 1.00 C ATOM 1010 CG PRO A 69 78.741 5.097 -7.410 1.00 1.00 C ATOM 1011 CD PRO A 69 77.226 5.320 -7.320 1.00 1.00 C ATOM 0 HA PRO A 69 77.887 4.165 -10.085 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.042 2.976 -7.527 1.00 1.00 H new ATOM 0 HB3 PRO A 69 79.881 3.888 -8.767 1.00 1.00 H new ATOM 0 HG2 PRO A 69 79.177 5.014 -6.415 1.00 1.00 H new ATOM 0 HG3 PRO A 69 79.225 5.941 -7.901 1.00 1.00 H new ATOM 0 HD2 PRO A 69 76.849 5.094 -6.323 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.962 6.356 -7.534 1.00 1.00 H new ATOM 1019 N TRP A 70 76.585 1.661 -8.547 1.00 1.00 N ATOM 1020 CA TRP A 70 76.215 0.234 -8.753 1.00 1.00 C ATOM 1021 C TRP A 70 75.433 0.095 -10.060 1.00 1.00 C ATOM 1022 O TRP A 70 75.618 -0.842 -10.810 1.00 1.00 O ATOM 1023 CB TRP A 70 75.346 -0.238 -7.585 1.00 1.00 C ATOM 1024 CG TRP A 70 74.859 -1.626 -7.854 1.00 1.00 C ATOM 1025 CD1 TRP A 70 75.652 -2.688 -8.122 1.00 1.00 C ATOM 1026 CD2 TRP A 70 73.488 -2.119 -7.887 1.00 1.00 C ATOM 1027 NE1 TRP A 70 74.856 -3.802 -8.317 1.00 1.00 N ATOM 1028 CE2 TRP A 70 73.515 -3.504 -8.183 1.00 1.00 C ATOM 1029 CE3 TRP A 70 72.237 -1.508 -7.690 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 72.341 -4.254 -8.280 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 71.056 -2.258 -7.787 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.106 -3.627 -8.081 1.00 1.00 C ATOM 0 H TRP A 70 76.156 2.107 -7.736 1.00 1.00 H new ATOM 0 HA TRP A 70 77.118 -0.374 -8.804 1.00 1.00 H new ATOM 0 HB2 TRP A 70 75.920 -0.216 -6.659 1.00 1.00 H new ATOM 0 HB3 TRP A 70 74.500 0.436 -7.452 1.00 1.00 H new ATOM 0 HD1 TRP A 70 76.731 -2.669 -8.175 1.00 1.00 H new ATOM 0 HE1 TRP A 70 75.216 -4.731 -8.534 1.00 1.00 H new ATOM 0 HE3 TRP A 70 72.185 -0.454 -7.462 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.386 -5.309 -8.507 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.101 -1.777 -7.634 1.00 1.00 H new ATOM 0 HH2 TRP A 70 70.192 -4.198 -8.154 1.00 1.00 H new ATOM 1043 N GLU A 71 74.558 1.022 -10.339 1.00 1.00 N ATOM 1044 CA GLU A 71 73.764 0.943 -11.596 1.00 1.00 C ATOM 1045 C GLU A 71 74.714 0.926 -12.797 1.00 1.00 C ATOM 1046 O GLU A 71 74.462 0.275 -13.792 1.00 1.00 O ATOM 1047 CB GLU A 71 72.835 2.159 -11.686 1.00 1.00 C ATOM 1048 CG GLU A 71 71.556 1.885 -10.892 1.00 1.00 C ATOM 1049 CD GLU A 71 70.594 3.064 -11.050 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.416 3.511 -12.171 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.052 3.499 -10.047 1.00 1.00 O ATOM 0 H GLU A 71 74.359 1.831 -9.750 1.00 1.00 H new ATOM 0 HA GLU A 71 73.166 0.031 -11.597 1.00 1.00 H new ATOM 0 HB2 GLU A 71 73.337 3.043 -11.293 1.00 1.00 H new ATOM 0 HB3 GLU A 71 72.591 2.367 -12.728 1.00 1.00 H new ATOM 0 HG2 GLU A 71 71.085 0.968 -11.246 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.794 1.735 -9.839 1.00 1.00 H new ATOM 1058 N ALA A 72 75.806 1.637 -12.714 1.00 1.00 N ATOM 1059 CA ALA A 72 76.770 1.660 -13.850 1.00 1.00 C ATOM 1060 C ALA A 72 77.593 0.368 -13.856 1.00 1.00 C ATOM 1061 O ALA A 72 77.998 -0.116 -14.893 1.00 1.00 O ATOM 1062 CB ALA A 72 77.707 2.859 -13.698 1.00 1.00 C ATOM 0 H ALA A 72 76.072 2.203 -11.908 1.00 1.00 H new ATOM 0 HA ALA A 72 76.220 1.742 -14.788 1.00 1.00 H new ATOM 0 HB1 ALA A 72 78.413 2.877 -14.529 1.00 1.00 H new ATOM 0 HB2 ALA A 72 77.123 3.779 -13.698 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.254 2.777 -12.759 1.00 1.00 H new ATOM 1068 N CYS A 73 77.848 -0.190 -12.703 1.00 1.00 N ATOM 1069 CA CYS A 73 78.650 -1.445 -12.643 1.00 1.00 C ATOM 1070 C CYS A 73 77.853 -2.595 -13.264 1.00 1.00 C ATOM 1071 O CYS A 73 78.367 -3.362 -14.053 1.00 1.00 O ATOM 1072 CB CYS A 73 78.967 -1.778 -11.184 1.00 1.00 C ATOM 1073 SG CYS A 73 80.336 -0.741 -10.612 1.00 1.00 S ATOM 0 H CYS A 73 77.536 0.169 -11.801 1.00 1.00 H new ATOM 0 HA CYS A 73 79.579 -1.307 -13.197 1.00 1.00 H new ATOM 0 HB2 CYS A 73 78.087 -1.612 -10.563 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.230 -2.831 -11.089 1.00 1.00 H new ATOM 0 HG CYS A 73 79.888 0.441 -10.309 1.00 1.00 H new ATOM 1078 N ASN A 74 76.604 -2.723 -12.908 1.00 1.00 N ATOM 1079 CA ASN A 74 75.774 -3.827 -13.470 1.00 1.00 C ATOM 1080 C ASN A 74 76.214 -5.157 -12.852 1.00 1.00 C ATOM 1081 O ASN A 74 77.133 -5.210 -12.059 1.00 1.00 O ATOM 1082 CB ASN A 74 75.950 -3.879 -14.994 1.00 1.00 C ATOM 1083 CG ASN A 74 74.672 -4.421 -15.637 1.00 1.00 C ATOM 1084 OD1 ASN A 74 73.639 -3.783 -15.593 1.00 1.00 O ATOM 1085 ND2 ASN A 74 74.698 -5.579 -16.237 1.00 1.00 N ATOM 0 H ASN A 74 76.121 -2.110 -12.251 1.00 1.00 H new ATOM 0 HA ASN A 74 74.724 -3.649 -13.237 1.00 1.00 H new ATOM 0 HB2 ASN A 74 76.170 -2.883 -15.380 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.797 -4.515 -15.251 1.00 1.00 H new ATOM 0 HD21 ASN A 74 73.851 -5.949 -16.669 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.565 -6.115 -16.274 1.00 1.00 H new ATOM 1092 N HIS A 75 75.564 -6.232 -13.208 1.00 1.00 N ATOM 1093 CA HIS A 75 75.945 -7.556 -12.639 1.00 1.00 C ATOM 1094 C HIS A 75 75.890 -7.488 -11.111 1.00 1.00 C ATOM 1095 O HIS A 75 74.874 -7.160 -10.533 1.00 1.00 O ATOM 1096 CB HIS A 75 77.364 -7.915 -13.088 1.00 1.00 C ATOM 1097 CG HIS A 75 77.627 -9.369 -12.807 1.00 1.00 C ATOM 1098 ND1 HIS A 75 77.107 -10.381 -13.600 1.00 1.00 N ATOM 1099 CD2 HIS A 75 78.352 -9.997 -11.824 1.00 1.00 C ATOM 1100 CE1 HIS A 75 77.521 -11.553 -13.088 1.00 1.00 C ATOM 1101 NE2 HIS A 75 78.282 -11.375 -12.007 1.00 1.00 N ATOM 0 H HIS A 75 74.786 -6.250 -13.868 1.00 1.00 H new ATOM 0 HA HIS A 75 75.251 -8.319 -12.992 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.482 -7.712 -14.152 1.00 1.00 H new ATOM 0 HB3 HIS A 75 78.091 -7.295 -12.563 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.892 -9.499 -11.032 1.00 1.00 H new ATOM 0 HE1 HIS A 75 77.269 -12.519 -13.501 1.00 1.00 H new ATOM 0 HE2 HIS A 75 78.720 -12.097 -11.435 1.00 1.00 H new ATOM 1110 N CYS A 76 76.975 -7.796 -10.452 1.00 1.00 N ATOM 1111 CA CYS A 76 76.984 -7.746 -8.963 1.00 1.00 C ATOM 1112 C CYS A 76 76.163 -8.914 -8.408 1.00 1.00 C ATOM 1113 O CYS A 76 75.790 -8.929 -7.252 1.00 1.00 O ATOM 1114 CB CYS A 76 76.374 -6.422 -8.493 1.00 1.00 C ATOM 1115 SG CYS A 76 77.158 -5.912 -6.943 1.00 1.00 S ATOM 0 H CYS A 76 77.855 -8.080 -10.882 1.00 1.00 H new ATOM 0 HA CYS A 76 78.010 -7.821 -8.603 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.515 -5.654 -9.254 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.299 -6.535 -8.349 1.00 1.00 H new ATOM 0 HG CYS A 76 76.972 -4.638 -6.761 1.00 1.00 H new ATOM 1120 N GLU A 77 75.879 -9.893 -9.224 1.00 1.00 N ATOM 1121 CA GLU A 77 75.083 -11.056 -8.742 1.00 1.00 C ATOM 1122 C GLU A 77 75.852 -11.781 -7.635 1.00 1.00 C ATOM 1123 O GLU A 77 75.272 -12.317 -6.712 1.00 1.00 O ATOM 1124 CB GLU A 77 74.830 -12.019 -9.905 1.00 1.00 C ATOM 1125 CG GLU A 77 73.763 -13.039 -9.501 1.00 1.00 C ATOM 1126 CD GLU A 77 72.396 -12.354 -9.448 1.00 1.00 C ATOM 1127 OE1 GLU A 77 72.309 -11.215 -9.876 1.00 1.00 O ATOM 1128 OE2 GLU A 77 71.460 -12.981 -8.980 1.00 1.00 O ATOM 0 H GLU A 77 76.164 -9.937 -10.202 1.00 1.00 H new ATOM 0 HA GLU A 77 74.130 -10.704 -8.348 1.00 1.00 H new ATOM 0 HB2 GLU A 77 74.504 -11.465 -10.785 1.00 1.00 H new ATOM 0 HB3 GLU A 77 75.754 -12.531 -10.175 1.00 1.00 H new ATOM 0 HG2 GLU A 77 73.742 -13.862 -10.216 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.005 -13.468 -8.529 1.00 1.00 H new ATOM 1135 N LEU A 78 77.155 -11.803 -7.717 1.00 1.00 N ATOM 1136 CA LEU A 78 77.955 -12.494 -6.667 1.00 1.00 C ATOM 1137 C LEU A 78 77.498 -12.018 -5.286 1.00 1.00 C ATOM 1138 O LEU A 78 77.026 -10.910 -5.128 1.00 1.00 O ATOM 1139 CB LEU A 78 79.438 -12.171 -6.859 1.00 1.00 C ATOM 1140 CG LEU A 78 80.010 -13.038 -7.982 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.189 -12.315 -8.636 1.00 1.00 C ATOM 1142 CD2 LEU A 78 80.490 -14.370 -7.402 1.00 1.00 C ATOM 0 H LEU A 78 77.699 -11.373 -8.465 1.00 1.00 H new ATOM 0 HA LEU A 78 77.809 -13.571 -6.746 1.00 1.00 H new ATOM 0 HB2 LEU A 78 79.562 -11.116 -7.101 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.983 -12.352 -5.933 1.00 1.00 H new ATOM 0 HG LEU A 78 79.237 -13.222 -8.728 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.596 -12.933 -9.436 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.850 -11.365 -9.048 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.962 -12.131 -7.890 1.00 1.00 H new ATOM 0 HD21 LEU A 78 80.898 -14.989 -8.201 1.00 1.00 H new ATOM 0 HD22 LEU A 78 81.263 -14.185 -6.656 1.00 1.00 H new ATOM 0 HD23 LEU A 78 79.652 -14.887 -6.935 1.00 1.00 H new