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 Single : A 60 CYS SG : rot 180:sc= -0.97! USER MOD Single : A 62 THR OG1 : rot -65:sc= -0.974 USER MOD Single : A 65 THR OG1 : rot 2:sc= 0.626 USER MOD Single : A 68 CYS SG : rot 160:sc= -1.81 USER MOD Single : A 73 CYS SG : rot 61:sc= 0.186 USER MOD Single : A 74 ASN : amide:sc= -0.472 K(o=-0.47,f=-2.4) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.534 F(o=-1.5!,f=-0.53) USER MOD Single : A 76 CYS SG : rot -58:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 69.399 14.473 1.841 1.00 1.00 N ATOM 878 CA GLY A 59 69.135 14.657 0.385 1.00 1.00 C ATOM 879 C GLY A 59 69.896 13.592 -0.407 1.00 1.00 C ATOM 880 O GLY A 59 69.572 12.422 -0.361 1.00 1.00 O ATOM 0 HA2 GLY A 59 68.066 14.580 0.185 1.00 1.00 H new ATOM 0 HA3 GLY A 59 69.447 15.653 0.070 1.00 1.00 H new ATOM 884 N CYS A 60 70.907 13.987 -1.132 1.00 1.00 N ATOM 885 CA CYS A 60 71.687 12.995 -1.924 1.00 1.00 C ATOM 886 C CYS A 60 70.726 12.085 -2.692 1.00 1.00 C ATOM 887 O CYS A 60 70.291 12.402 -3.780 1.00 1.00 O ATOM 888 CB CYS A 60 72.544 12.151 -0.979 1.00 1.00 C ATOM 889 SG CYS A 60 73.214 10.730 -1.879 1.00 1.00 S ATOM 0 H CYS A 60 71.226 14.953 -1.210 1.00 1.00 H new ATOM 0 HA CYS A 60 72.332 13.519 -2.630 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.356 12.753 -0.572 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.945 11.811 -0.134 1.00 1.00 H new ATOM 0 HG CYS A 60 73.944 10.013 -1.077 1.00 1.00 H new ATOM 894 N GLY A 61 70.391 10.953 -2.131 1.00 1.00 N ATOM 895 CA GLY A 61 69.458 10.020 -2.827 1.00 1.00 C ATOM 896 C GLY A 61 68.603 9.287 -1.791 1.00 1.00 C ATOM 897 O GLY A 61 68.610 8.075 -1.711 1.00 1.00 O ATOM 0 H GLY A 61 70.723 10.635 -1.221 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.819 10.574 -3.515 1.00 1.00 H new ATOM 0 HA3 GLY A 61 70.022 9.302 -3.423 1.00 1.00 H new ATOM 901 N THR A 62 67.866 10.014 -0.995 1.00 1.00 N ATOM 902 CA THR A 62 67.012 9.359 0.036 1.00 1.00 C ATOM 903 C THR A 62 66.149 8.281 -0.623 1.00 1.00 C ATOM 904 O THR A 62 65.042 8.537 -1.054 1.00 1.00 O ATOM 905 CB THR A 62 66.106 10.408 0.686 1.00 1.00 C ATOM 906 OG1 THR A 62 65.008 9.760 1.312 1.00 1.00 O ATOM 907 CG2 THR A 62 65.590 11.373 -0.383 1.00 1.00 C ATOM 0 H THR A 62 67.819 11.033 -1.014 1.00 1.00 H new ATOM 0 HA THR A 62 67.646 8.902 0.795 1.00 1.00 H new ATOM 0 HB THR A 62 66.672 10.966 1.432 1.00 1.00 H new ATOM 0 HG1 THR A 62 64.456 9.321 0.632 1.00 1.00 H new ATOM 0 HG21 THR A 62 64.945 12.119 0.081 1.00 1.00 H new ATOM 0 HG22 THR A 62 66.433 11.870 -0.862 1.00 1.00 H new ATOM 0 HG23 THR A 62 65.023 10.818 -1.131 1.00 1.00 H new ATOM 915 N ASP A 63 66.642 7.076 -0.705 1.00 1.00 N ATOM 916 CA ASP A 63 65.841 5.992 -1.338 1.00 1.00 C ATOM 917 C ASP A 63 64.653 5.644 -0.435 1.00 1.00 C ATOM 918 O ASP A 63 63.598 5.272 -0.907 1.00 1.00 O ATOM 919 CB ASP A 63 66.722 4.753 -1.544 1.00 1.00 C ATOM 920 CG ASP A 63 66.247 3.988 -2.781 1.00 1.00 C ATOM 921 OD1 ASP A 63 65.398 3.125 -2.630 1.00 1.00 O ATOM 922 OD2 ASP A 63 66.741 4.278 -3.858 1.00 1.00 O ATOM 0 H ASP A 63 67.561 6.796 -0.362 1.00 1.00 H new ATOM 0 HA ASP A 63 65.471 6.329 -2.306 1.00 1.00 H new ATOM 0 HB2 ASP A 63 67.764 5.051 -1.665 1.00 1.00 H new ATOM 0 HB3 ASP A 63 66.674 4.110 -0.665 1.00 1.00 H new ATOM 927 N ILE A 64 64.811 5.773 0.861 1.00 1.00 N ATOM 928 CA ILE A 64 63.681 5.459 1.788 1.00 1.00 C ATOM 929 C ILE A 64 63.257 6.742 2.514 1.00 1.00 C ATOM 930 O ILE A 64 62.091 7.072 2.589 1.00 1.00 O ATOM 931 CB ILE A 64 64.108 4.368 2.798 1.00 1.00 C ATOM 932 CG1 ILE A 64 63.084 3.230 2.780 1.00 1.00 C ATOM 933 CG2 ILE A 64 64.175 4.969 4.203 1.00 1.00 C ATOM 934 CD1 ILE A 64 63.541 2.117 3.725 1.00 1.00 C ATOM 0 H ILE A 64 65.671 6.081 1.314 1.00 1.00 H new ATOM 0 HA ILE A 64 62.833 5.076 1.220 1.00 1.00 H new ATOM 0 HB ILE A 64 65.089 3.982 2.522 1.00 1.00 H new ATOM 0 HG12 ILE A 64 62.106 3.602 3.085 1.00 1.00 H new ATOM 0 HG13 ILE A 64 62.975 2.840 1.768 1.00 1.00 H new ATOM 0 HG21 ILE A 64 64.476 4.199 4.914 1.00 1.00 H new ATOM 0 HG22 ILE A 64 64.902 5.781 4.217 1.00 1.00 H new ATOM 0 HG23 ILE A 64 63.194 5.356 4.480 1.00 1.00 H new ATOM 0 HD11 ILE A 64 62.812 1.307 3.712 1.00 1.00 H new ATOM 0 HD12 ILE A 64 64.510 1.738 3.400 1.00 1.00 H new ATOM 0 HD13 ILE A 64 63.627 2.512 4.737 1.00 1.00 H new ATOM 946 N THR A 65 64.203 7.460 3.048 1.00 1.00 N ATOM 947 CA THR A 65 63.885 8.722 3.775 1.00 1.00 C ATOM 948 C THR A 65 65.202 9.414 4.119 1.00 1.00 C ATOM 949 O THR A 65 65.232 10.439 4.766 1.00 1.00 O ATOM 950 CB THR A 65 63.120 8.394 5.064 1.00 1.00 C ATOM 951 OG1 THR A 65 61.817 7.935 4.735 1.00 1.00 O ATOM 952 CG2 THR A 65 63.017 9.649 5.932 1.00 1.00 C ATOM 0 H THR A 65 65.195 7.225 3.012 1.00 1.00 H new ATOM 0 HA THR A 65 63.267 9.372 3.156 1.00 1.00 H new ATOM 0 HB THR A 65 63.651 7.617 5.615 1.00 1.00 H new ATOM 0 HG1 THR A 65 61.716 7.909 3.761 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.473 9.415 6.847 1.00 1.00 H new ATOM 0 HG22 THR A 65 64.018 10.000 6.184 1.00 1.00 H new ATOM 0 HG23 THR A 65 62.486 10.428 5.384 1.00 1.00 H new ATOM 960 N VAL A 66 66.284 8.829 3.678 1.00 1.00 N ATOM 961 CA VAL A 66 67.652 9.372 3.933 1.00 1.00 C ATOM 962 C VAL A 66 68.616 8.186 3.868 1.00 1.00 C ATOM 963 O VAL A 66 69.433 8.084 2.975 1.00 1.00 O ATOM 964 CB VAL A 66 67.725 10.053 5.318 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.124 9.864 5.908 1.00 1.00 C ATOM 966 CG2 VAL A 66 67.436 11.548 5.165 1.00 1.00 C ATOM 0 H VAL A 66 66.275 7.967 3.133 1.00 1.00 H new ATOM 0 HA VAL A 66 67.910 10.129 3.192 1.00 1.00 H new ATOM 0 HB VAL A 66 66.987 9.604 5.983 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.175 10.345 6.885 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.333 8.800 6.016 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.863 10.313 5.244 1.00 1.00 H new ATOM 0 HG21 VAL A 66 67.487 12.030 6.141 1.00 1.00 H new ATOM 0 HG22 VAL A 66 68.175 11.995 4.500 1.00 1.00 H new ATOM 0 HG23 VAL A 66 66.440 11.685 4.744 1.00 1.00 H new ATOM 976 N ILE A 67 68.502 7.272 4.796 1.00 1.00 N ATOM 977 CA ILE A 67 69.383 6.070 4.781 1.00 1.00 C ATOM 978 C ILE A 67 68.544 4.826 5.081 1.00 1.00 C ATOM 979 O ILE A 67 68.212 4.552 6.218 1.00 1.00 O ATOM 980 CB ILE A 67 70.487 6.206 5.835 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.569 7.157 5.318 1.00 1.00 C ATOM 982 CG2 ILE A 67 71.105 4.833 6.108 1.00 1.00 C ATOM 983 CD1 ILE A 67 72.540 7.491 6.453 1.00 1.00 C ATOM 0 H ILE A 67 67.834 7.308 5.566 1.00 1.00 H new ATOM 0 HA ILE A 67 69.844 5.979 3.797 1.00 1.00 H new ATOM 0 HB ILE A 67 70.062 6.603 6.757 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.107 6.697 4.489 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.113 8.070 4.935 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.890 4.930 6.858 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.335 4.154 6.475 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.530 4.436 5.186 1.00 1.00 H new ATOM 0 HD11 ILE A 67 73.311 8.168 6.085 1.00 1.00 H new ATOM 0 HD12 ILE A 67 71.996 7.969 7.268 1.00 1.00 H new ATOM 0 HD13 ILE A 67 73.005 6.574 6.815 1.00 1.00 H new ATOM 995 N CYS A 68 68.200 4.067 4.080 1.00 1.00 N ATOM 996 CA CYS A 68 67.390 2.843 4.327 1.00 1.00 C ATOM 997 C CYS A 68 68.188 1.885 5.225 1.00 1.00 C ATOM 998 O CYS A 68 69.295 1.504 4.906 1.00 1.00 O ATOM 999 CB CYS A 68 67.080 2.154 2.990 1.00 1.00 C ATOM 1000 SG CYS A 68 67.535 3.249 1.623 1.00 1.00 S ATOM 0 H CYS A 68 68.443 4.240 3.105 1.00 1.00 H new ATOM 0 HA CYS A 68 66.455 3.114 4.818 1.00 1.00 H new ATOM 0 HB2 CYS A 68 67.630 1.216 2.917 1.00 1.00 H new ATOM 0 HB3 CYS A 68 66.020 1.907 2.934 1.00 1.00 H new ATOM 0 HG CYS A 68 67.682 2.550 0.537 1.00 1.00 H new ATOM 1005 N PRO A 69 67.646 1.501 6.357 1.00 1.00 N ATOM 1006 CA PRO A 69 68.351 0.586 7.302 1.00 1.00 C ATOM 1007 C PRO A 69 68.376 -0.866 6.812 1.00 1.00 C ATOM 1008 O PRO A 69 68.984 -1.722 7.422 1.00 1.00 O ATOM 1009 CB PRO A 69 67.541 0.705 8.595 1.00 1.00 C ATOM 1010 CG PRO A 69 66.166 1.092 8.158 1.00 1.00 C ATOM 1011 CD PRO A 69 66.318 1.889 6.859 1.00 1.00 C ATOM 0 HA PRO A 69 69.400 0.859 7.417 1.00 1.00 H new ATOM 0 HB2 PRO A 69 67.530 -0.238 9.142 1.00 1.00 H new ATOM 0 HB3 PRO A 69 67.969 1.455 9.261 1.00 1.00 H new ATOM 0 HG2 PRO A 69 65.549 0.208 7.998 1.00 1.00 H new ATOM 0 HG3 PRO A 69 65.672 1.691 8.923 1.00 1.00 H new ATOM 0 HD2 PRO A 69 65.533 1.641 6.144 1.00 1.00 H new ATOM 0 HD3 PRO A 69 66.257 2.962 7.040 1.00 1.00 H new ATOM 1019 N TRP A 70 67.722 -1.154 5.720 1.00 1.00 N ATOM 1020 CA TRP A 70 67.718 -2.554 5.210 1.00 1.00 C ATOM 1021 C TRP A 70 69.025 -2.823 4.450 1.00 1.00 C ATOM 1022 O TRP A 70 69.281 -3.926 4.012 1.00 1.00 O ATOM 1023 CB TRP A 70 66.475 -2.766 4.317 1.00 1.00 C ATOM 1024 CG TRP A 70 66.897 -3.011 2.904 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.482 -4.144 2.453 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.778 -2.126 1.752 1.00 1.00 C ATOM 1027 NE1 TRP A 70 67.730 -4.013 1.100 1.00 1.00 N ATOM 1028 CE2 TRP A 70 67.315 -2.787 0.620 1.00 1.00 C ATOM 1029 CE3 TRP A 70 66.263 -0.829 1.580 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 67.338 -2.179 -0.638 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 66.285 -0.217 0.318 1.00 1.00 C ATOM 1032 CH2 TRP A 70 66.821 -0.889 -0.789 1.00 1.00 C ATOM 0 H TRP A 70 67.193 -0.484 5.162 1.00 1.00 H new ATOM 0 HA TRP A 70 67.662 -3.263 6.036 1.00 1.00 H new ATOM 0 HB2 TRP A 70 65.894 -3.612 4.684 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.828 -1.890 4.365 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.717 -5.011 3.053 1.00 1.00 H new ATOM 0 HE1 TRP A 70 68.167 -4.734 0.526 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.848 -0.300 2.425 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 67.752 -2.702 -1.487 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 65.886 0.779 0.198 1.00 1.00 H new ATOM 0 HH2 TRP A 70 66.835 -0.411 -1.757 1.00 1.00 H new ATOM 1043 N GLU A 71 69.869 -1.828 4.311 1.00 1.00 N ATOM 1044 CA GLU A 71 71.166 -2.041 3.598 1.00 1.00 C ATOM 1045 C GLU A 71 72.303 -1.409 4.403 1.00 1.00 C ATOM 1046 O GLU A 71 73.466 -1.614 4.116 1.00 1.00 O ATOM 1047 CB GLU A 71 71.109 -1.392 2.214 1.00 1.00 C ATOM 1048 CG GLU A 71 69.731 -1.631 1.595 1.00 1.00 C ATOM 1049 CD GLU A 71 69.776 -1.296 0.102 1.00 1.00 C ATOM 1050 OE1 GLU A 71 70.355 -2.071 -0.641 1.00 1.00 O ATOM 1051 OE2 GLU A 71 69.231 -0.271 -0.271 1.00 1.00 O ATOM 0 H GLU A 71 69.716 -0.882 4.659 1.00 1.00 H new ATOM 0 HA GLU A 71 71.342 -3.111 3.491 1.00 1.00 H new ATOM 0 HB2 GLU A 71 71.303 -0.322 2.294 1.00 1.00 H new ATOM 0 HB3 GLU A 71 71.885 -1.810 1.573 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.432 -2.670 1.736 1.00 1.00 H new ATOM 0 HG3 GLU A 71 68.984 -1.014 2.095 1.00 1.00 H new ATOM 1058 N ALA A 72 71.980 -0.641 5.407 1.00 1.00 N ATOM 1059 CA ALA A 72 73.049 0.000 6.223 1.00 1.00 C ATOM 1060 C ALA A 72 73.976 -1.079 6.783 1.00 1.00 C ATOM 1061 O ALA A 72 73.839 -2.247 6.478 1.00 1.00 O ATOM 1062 CB ALA A 72 72.413 0.775 7.379 1.00 1.00 C ATOM 0 H ALA A 72 71.025 -0.430 5.697 1.00 1.00 H new ATOM 0 HA ALA A 72 73.622 0.685 5.598 1.00 1.00 H new ATOM 0 HB1 ALA A 72 73.195 1.244 7.976 1.00 1.00 H new ATOM 0 HB2 ALA A 72 71.750 1.543 6.981 1.00 1.00 H new ATOM 0 HB3 ALA A 72 71.840 0.090 8.004 1.00 1.00 H new ATOM 1068 N CYS A 73 74.918 -0.700 7.603 1.00 1.00 N ATOM 1069 CA CYS A 73 75.849 -1.709 8.182 1.00 1.00 C ATOM 1070 C CYS A 73 75.166 -2.411 9.358 1.00 1.00 C ATOM 1071 O CYS A 73 75.793 -2.745 10.344 1.00 1.00 O ATOM 1072 CB CYS A 73 77.123 -1.014 8.670 1.00 1.00 C ATOM 1073 SG CYS A 73 76.686 0.519 9.527 1.00 1.00 S ATOM 0 H CYS A 73 75.083 0.263 7.896 1.00 1.00 H new ATOM 0 HA CYS A 73 76.110 -2.443 7.420 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.675 -1.673 9.340 1.00 1.00 H new ATOM 0 HB3 CYS A 73 77.777 -0.797 7.826 1.00 1.00 H new ATOM 0 HG CYS A 73 75.944 0.243 10.558 1.00 1.00 H new ATOM 1078 N ASN A 74 73.885 -2.637 9.259 1.00 1.00 N ATOM 1079 CA ASN A 74 73.156 -3.316 10.367 1.00 1.00 C ATOM 1080 C ASN A 74 73.873 -4.617 10.729 1.00 1.00 C ATOM 1081 O ASN A 74 73.858 -5.050 11.864 1.00 1.00 O ATOM 1082 CB ASN A 74 71.729 -3.631 9.914 1.00 1.00 C ATOM 1083 CG ASN A 74 70.991 -4.376 11.028 1.00 1.00 C ATOM 1084 OD1 ASN A 74 71.382 -4.316 12.177 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.933 -5.080 10.736 1.00 1.00 N ATOM 0 H ASN A 74 73.310 -2.380 8.456 1.00 1.00 H new ATOM 0 HA ASN A 74 73.128 -2.663 11.239 1.00 1.00 H new ATOM 0 HB2 ASN A 74 71.202 -2.709 9.668 1.00 1.00 H new ATOM 0 HB3 ASN A 74 71.749 -4.237 9.008 1.00 1.00 H new ATOM 0 HD21 ASN A 74 69.434 -5.580 11.472 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.604 -5.131 9.772 1.00 1.00 H new ATOM 1092 N HIS A 75 74.499 -5.246 9.773 1.00 1.00 N ATOM 1093 CA HIS A 75 75.214 -6.520 10.063 1.00 1.00 C ATOM 1094 C HIS A 75 75.941 -6.992 8.802 1.00 1.00 C ATOM 1095 O HIS A 75 75.708 -8.076 8.306 1.00 1.00 O ATOM 1096 CB HIS A 75 74.202 -7.581 10.501 1.00 1.00 C ATOM 1097 CG HIS A 75 72.977 -7.494 9.633 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.778 -6.978 8.375 1.00 1.00 N flip ATOM 1099 CD2 HIS A 75 71.745 -7.982 10.042 1.00 1.00 C flip ATOM 1100 CE1 HIS A 75 71.445 -7.144 8.013 1.00 1.00 C flip ATOM 1101 NE2 HIS A 75 70.866 -7.753 9.050 1.00 1.00 N flip ATOM 0 H HIS A 75 74.546 -4.933 8.803 1.00 1.00 H new ATOM 0 HA HIS A 75 75.939 -6.361 10.861 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.645 -8.574 10.425 1.00 1.00 H new ATOM 0 HB3 HIS A 75 73.932 -7.431 11.546 1.00 1.00 H new ATOM 0 HD2 HIS A 75 71.530 -8.460 10.986 1.00 1.00 H new ATOM 0 HE1 HIS A 75 70.977 -6.843 7.087 1.00 1.00 H new ATOM 0 HE2 HIS A 75 69.880 -8.012 9.086 1.00 1.00 H new ATOM 1110 N CYS A 76 76.820 -6.182 8.279 1.00 1.00 N ATOM 1111 CA CYS A 76 77.564 -6.576 7.050 1.00 1.00 C ATOM 1112 C CYS A 76 78.181 -7.964 7.247 1.00 1.00 C ATOM 1113 O CYS A 76 79.300 -8.097 7.701 1.00 1.00 O ATOM 1114 CB CYS A 76 78.672 -5.556 6.779 1.00 1.00 C ATOM 1115 SG CYS A 76 79.851 -6.247 5.592 1.00 1.00 S ATOM 0 H CYS A 76 77.055 -5.262 8.651 1.00 1.00 H new ATOM 0 HA CYS A 76 76.879 -6.603 6.202 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.244 -4.633 6.387 1.00 1.00 H new ATOM 0 HB3 CYS A 76 79.182 -5.301 7.708 1.00 1.00 H new ATOM 0 HG CYS A 76 80.343 -7.354 6.064 1.00 1.00 H new ATOM 1120 N GLU A 77 77.462 -8.999 6.903 1.00 1.00 N ATOM 1121 CA GLU A 77 78.013 -10.375 7.066 1.00 1.00 C ATOM 1122 C GLU A 77 79.338 -10.478 6.309 1.00 1.00 C ATOM 1123 O GLU A 77 79.511 -9.888 5.261 1.00 1.00 O ATOM 1124 CB GLU A 77 77.016 -11.390 6.504 1.00 1.00 C ATOM 1125 CG GLU A 77 75.723 -11.340 7.320 1.00 1.00 C ATOM 1126 CD GLU A 77 74.628 -12.120 6.591 1.00 1.00 C ATOM 1127 OE1 GLU A 77 74.931 -12.715 5.570 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.504 -12.110 7.066 1.00 1.00 O ATOM 0 H GLU A 77 76.519 -8.951 6.517 1.00 1.00 H new ATOM 0 HA GLU A 77 78.181 -10.584 8.122 1.00 1.00 H new ATOM 0 HB2 GLU A 77 76.807 -11.169 5.457 1.00 1.00 H new ATOM 0 HB3 GLU A 77 77.442 -12.393 6.539 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.889 -11.765 8.310 1.00 1.00 H new ATOM 0 HG3 GLU A 77 75.412 -10.305 7.465 1.00 1.00 H new ATOM 1135 N LEU A 78 80.280 -11.213 6.834 1.00 1.00 N ATOM 1136 CA LEU A 78 81.593 -11.335 6.143 1.00 1.00 C ATOM 1137 C LEU A 78 82.120 -9.930 5.840 1.00 1.00 C ATOM 1138 O LEU A 78 81.574 -8.947 6.300 1.00 1.00 O ATOM 1139 CB LEU A 78 81.415 -12.124 4.839 1.00 1.00 C ATOM 1140 CG LEU A 78 81.539 -13.621 5.127 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.479 -14.035 6.150 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.329 -14.407 3.831 1.00 1.00 C ATOM 0 H LEU A 78 80.197 -11.732 7.708 1.00 1.00 H new ATOM 0 HA LEU A 78 82.304 -11.863 6.778 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.441 -11.907 4.400 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.167 -11.819 4.112 1.00 1.00 H new ATOM 0 HG LEU A 78 82.531 -13.833 5.526 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.568 -15.102 6.355 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.626 -13.475 7.073 1.00 1.00 H new ATOM 0 HD13 LEU A 78 79.487 -13.824 5.752 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.417 -15.474 4.034 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.337 -14.194 3.433 1.00 1.00 H new ATOM 0 HD23 LEU A 78 82.083 -14.113 3.101 1.00 1.00 H new