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 74:sc= 0.0344 USER MOD Single : A 62 THR OG1 : rot -68:sc= 0.771 USER MOD Single : A 65 THR OG1 : rot -54:sc= 0.815 USER MOD Single : A 68 CYS SG : rot -100:sc= -4.68! USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.56) USER MOD Single : A 76 CYS SG : rot 64:sc= 0.616 USER MOD ----------------------------------------------------------------- ATOM 877 N GLY A 59 79.567 9.966 -4.810 1.00 1.00 N ATOM 878 CA GLY A 59 78.596 8.835 -4.746 1.00 1.00 C ATOM 879 C GLY A 59 77.196 9.337 -5.111 1.00 1.00 C ATOM 880 O GLY A 59 77.038 10.386 -5.703 1.00 1.00 O ATOM 0 HA2 GLY A 59 78.899 8.043 -5.431 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.589 8.405 -3.745 1.00 1.00 H new ATOM 884 N CYS A 60 76.179 8.593 -4.764 1.00 1.00 N ATOM 885 CA CYS A 60 74.790 9.025 -5.094 1.00 1.00 C ATOM 886 C CYS A 60 74.263 9.943 -3.990 1.00 1.00 C ATOM 887 O CYS A 60 74.181 11.145 -4.154 1.00 1.00 O ATOM 888 CB CYS A 60 73.888 7.792 -5.208 1.00 1.00 C ATOM 889 SG CYS A 60 74.847 6.399 -5.853 1.00 1.00 S ATOM 0 H CYS A 60 76.251 7.705 -4.267 1.00 1.00 H new ATOM 0 HA CYS A 60 74.792 9.564 -6.041 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.473 7.540 -4.232 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.046 8.004 -5.867 1.00 1.00 H new ATOM 0 HG CYS A 60 75.640 5.951 -4.925 1.00 1.00 H new ATOM 894 N GLY A 61 73.899 9.385 -2.870 1.00 1.00 N ATOM 895 CA GLY A 61 73.371 10.218 -1.754 1.00 1.00 C ATOM 896 C GLY A 61 73.622 9.510 -0.422 1.00 1.00 C ATOM 897 O GLY A 61 74.371 8.556 -0.349 1.00 1.00 O ATOM 0 H GLY A 61 73.945 8.384 -2.679 1.00 1.00 H new ATOM 0 HA2 GLY A 61 73.855 11.195 -1.755 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.303 10.391 -1.890 1.00 1.00 H new ATOM 901 N THR A 62 72.997 9.976 0.630 1.00 1.00 N ATOM 902 CA THR A 62 73.181 9.349 1.979 1.00 1.00 C ATOM 903 C THR A 62 74.571 8.716 2.084 1.00 1.00 C ATOM 904 O THR A 62 74.742 7.531 1.878 1.00 1.00 O ATOM 905 CB THR A 62 72.112 8.275 2.199 1.00 1.00 C ATOM 906 OG1 THR A 62 72.552 7.370 3.202 1.00 1.00 O ATOM 907 CG2 THR A 62 71.872 7.515 0.893 1.00 1.00 C ATOM 0 H THR A 62 72.360 10.772 0.613 1.00 1.00 H new ATOM 0 HA THR A 62 73.084 10.122 2.742 1.00 1.00 H new ATOM 0 HB THR A 62 71.183 8.747 2.517 1.00 1.00 H new ATOM 0 HG1 THR A 62 73.309 6.849 2.863 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.111 6.751 1.051 1.00 1.00 H new ATOM 0 HG22 THR A 62 71.534 8.210 0.124 1.00 1.00 H new ATOM 0 HG23 THR A 62 72.800 7.042 0.572 1.00 1.00 H new ATOM 915 N ASP A 63 75.566 9.499 2.397 1.00 1.00 N ATOM 916 CA ASP A 63 76.943 8.942 2.510 1.00 1.00 C ATOM 917 C ASP A 63 77.046 8.055 3.752 1.00 1.00 C ATOM 918 O ASP A 63 77.872 7.166 3.819 1.00 1.00 O ATOM 919 CB ASP A 63 77.952 10.087 2.619 1.00 1.00 C ATOM 920 CG ASP A 63 77.671 10.897 3.886 1.00 1.00 C ATOM 921 OD1 ASP A 63 76.545 11.338 4.046 1.00 1.00 O ATOM 922 OD2 ASP A 63 78.587 11.064 4.674 1.00 1.00 O ATOM 0 H ASP A 63 75.485 10.499 2.579 1.00 1.00 H new ATOM 0 HA ASP A 63 77.160 8.346 1.623 1.00 1.00 H new ATOM 0 HB2 ASP A 63 78.967 9.690 2.646 1.00 1.00 H new ATOM 0 HB3 ASP A 63 77.885 10.730 1.741 1.00 1.00 H new ATOM 927 N ILE A 64 76.226 8.288 4.742 1.00 1.00 N ATOM 928 CA ILE A 64 76.305 7.448 5.971 1.00 1.00 C ATOM 929 C ILE A 64 75.002 7.560 6.773 1.00 1.00 C ATOM 930 O ILE A 64 74.595 6.636 7.449 1.00 1.00 O ATOM 931 CB ILE A 64 77.481 7.930 6.829 1.00 1.00 C ATOM 932 CG1 ILE A 64 77.717 6.939 7.971 1.00 1.00 C ATOM 933 CG2 ILE A 64 77.159 9.308 7.410 1.00 1.00 C ATOM 934 CD1 ILE A 64 78.803 5.942 7.566 1.00 1.00 C ATOM 0 H ILE A 64 75.512 9.016 4.753 1.00 1.00 H new ATOM 0 HA ILE A 64 76.453 6.406 5.688 1.00 1.00 H new ATOM 0 HB ILE A 64 78.377 7.997 6.212 1.00 1.00 H new ATOM 0 HG12 ILE A 64 78.016 7.472 8.873 1.00 1.00 H new ATOM 0 HG13 ILE A 64 76.793 6.411 8.205 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.995 9.650 8.020 1.00 1.00 H new ATOM 0 HG22 ILE A 64 76.989 10.015 6.598 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.263 9.242 8.027 1.00 1.00 H new ATOM 0 HD11 ILE A 64 78.971 5.236 8.380 1.00 1.00 H new ATOM 0 HD12 ILE A 64 78.485 5.400 6.675 1.00 1.00 H new ATOM 0 HD13 ILE A 64 79.728 6.478 7.354 1.00 1.00 H new ATOM 946 N THR A 65 74.358 8.689 6.701 1.00 1.00 N ATOM 947 CA THR A 65 73.079 8.902 7.452 1.00 1.00 C ATOM 948 C THR A 65 73.147 8.228 8.826 1.00 1.00 C ATOM 949 O THR A 65 72.149 7.793 9.364 1.00 1.00 O ATOM 950 CB THR A 65 71.894 8.340 6.656 1.00 1.00 C ATOM 951 OG1 THR A 65 70.683 8.660 7.325 1.00 1.00 O ATOM 952 CG2 THR A 65 72.029 6.821 6.540 1.00 1.00 C ATOM 0 H THR A 65 74.664 9.489 6.147 1.00 1.00 H new ATOM 0 HA THR A 65 72.937 9.974 7.591 1.00 1.00 H new ATOM 0 HB THR A 65 71.885 8.778 5.658 1.00 1.00 H new ATOM 0 HG1 THR A 65 70.729 8.348 8.253 1.00 1.00 H new ATOM 0 HG21 THR A 65 71.187 6.423 5.974 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.959 6.577 6.026 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.038 6.379 7.536 1.00 1.00 H new ATOM 960 N VAL A 66 74.316 8.155 9.400 1.00 1.00 N ATOM 961 CA VAL A 66 74.467 7.530 10.748 1.00 1.00 C ATOM 962 C VAL A 66 74.335 6.004 10.662 1.00 1.00 C ATOM 963 O VAL A 66 74.698 5.303 11.585 1.00 1.00 O ATOM 964 CB VAL A 66 73.402 8.081 11.706 1.00 1.00 C ATOM 965 CG1 VAL A 66 73.860 7.879 13.151 1.00 1.00 C ATOM 966 CG2 VAL A 66 73.203 9.575 11.440 1.00 1.00 C ATOM 0 H VAL A 66 75.182 8.504 8.990 1.00 1.00 H new ATOM 0 HA VAL A 66 75.460 7.775 11.125 1.00 1.00 H new ATOM 0 HB VAL A 66 72.462 7.553 11.546 1.00 1.00 H new ATOM 0 HG11 VAL A 66 73.103 8.271 13.831 1.00 1.00 H new ATOM 0 HG12 VAL A 66 74.004 6.816 13.342 1.00 1.00 H new ATOM 0 HG13 VAL A 66 74.800 8.407 13.312 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.447 9.968 12.120 1.00 1.00 H new ATOM 0 HG22 VAL A 66 74.144 10.102 11.600 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.876 9.721 10.410 1.00 1.00 H new ATOM 976 N ILE A 67 73.829 5.472 9.575 1.00 1.00 N ATOM 977 CA ILE A 67 73.702 3.983 9.482 1.00 1.00 C ATOM 978 C ILE A 67 74.187 3.487 8.120 1.00 1.00 C ATOM 979 O ILE A 67 73.425 3.346 7.184 1.00 1.00 O ATOM 980 CB ILE A 67 72.246 3.567 9.674 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.667 4.290 10.892 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.171 2.055 9.896 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.230 3.822 11.128 1.00 1.00 C ATOM 0 H ILE A 67 73.504 5.994 8.761 1.00 1.00 H new ATOM 0 HA ILE A 67 74.317 3.540 10.266 1.00 1.00 H new ATOM 0 HB ILE A 67 71.672 3.832 8.786 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.276 4.086 11.773 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.688 5.368 10.732 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.131 1.759 10.033 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.584 1.539 9.029 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.744 1.789 10.784 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.817 4.337 11.996 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.625 4.048 10.250 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.222 2.747 11.307 1.00 1.00 H new ATOM 995 N CYS A 68 75.451 3.199 8.026 1.00 1.00 N ATOM 996 CA CYS A 68 76.036 2.678 6.759 1.00 1.00 C ATOM 997 C CYS A 68 76.789 1.380 7.078 1.00 1.00 C ATOM 998 O CYS A 68 77.184 1.162 8.205 1.00 1.00 O ATOM 999 CB CYS A 68 76.992 3.738 6.193 1.00 1.00 C ATOM 1000 SG CYS A 68 76.878 3.766 4.387 1.00 1.00 S ATOM 0 H CYS A 68 76.119 3.304 8.789 1.00 1.00 H new ATOM 0 HA CYS A 68 75.263 2.470 6.019 1.00 1.00 H new ATOM 0 HB2 CYS A 68 76.742 4.719 6.597 1.00 1.00 H new ATOM 0 HB3 CYS A 68 78.015 3.518 6.498 1.00 1.00 H new ATOM 0 HG CYS A 68 77.874 3.103 3.879 1.00 1.00 H new ATOM 1005 N PRO A 69 76.979 0.505 6.120 1.00 1.00 N ATOM 1006 CA PRO A 69 77.686 -0.784 6.351 1.00 1.00 C ATOM 1007 C PRO A 69 78.843 -0.651 7.343 1.00 1.00 C ATOM 1008 O PRO A 69 79.335 -1.628 7.865 1.00 1.00 O ATOM 1009 CB PRO A 69 78.194 -1.145 4.959 1.00 1.00 C ATOM 1010 CG PRO A 69 77.156 -0.600 4.032 1.00 1.00 C ATOM 1011 CD PRO A 69 76.553 0.635 4.716 1.00 1.00 C ATOM 0 HA PRO A 69 77.038 -1.540 6.794 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.171 -0.703 4.766 1.00 1.00 H new ATOM 0 HB3 PRO A 69 78.304 -2.223 4.843 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.597 -0.333 3.072 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.386 -1.346 3.833 1.00 1.00 H new ATOM 0 HD2 PRO A 69 76.922 1.559 4.270 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.467 0.650 4.628 1.00 1.00 H new ATOM 1019 N TRP A 70 79.276 0.549 7.610 1.00 1.00 N ATOM 1020 CA TRP A 70 80.396 0.738 8.569 1.00 1.00 C ATOM 1021 C TRP A 70 79.871 0.643 10.008 1.00 1.00 C ATOM 1022 O TRP A 70 80.632 0.479 10.941 1.00 1.00 O ATOM 1023 CB TRP A 70 81.031 2.116 8.336 1.00 1.00 C ATOM 1024 CG TRP A 70 82.515 2.011 8.479 1.00 1.00 C ATOM 1025 CD1 TRP A 70 83.165 1.697 9.623 1.00 1.00 C ATOM 1026 CD2 TRP A 70 83.544 2.213 7.466 1.00 1.00 C ATOM 1027 NE1 TRP A 70 84.526 1.693 9.379 1.00 1.00 N ATOM 1028 CE2 TRP A 70 84.811 2.005 8.065 1.00 1.00 C ATOM 1029 CE3 TRP A 70 83.503 2.552 6.103 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 85.995 2.130 7.333 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 84.689 2.678 5.365 1.00 1.00 C ATOM 1032 CH2 TRP A 70 85.932 2.468 5.977 1.00 1.00 C ATOM 0 H TRP A 70 78.902 1.407 7.205 1.00 1.00 H new ATOM 0 HA TRP A 70 81.144 -0.040 8.415 1.00 1.00 H new ATOM 0 HB2 TRP A 70 80.776 2.483 7.342 1.00 1.00 H new ATOM 0 HB3 TRP A 70 80.636 2.836 9.052 1.00 1.00 H new ATOM 0 HD1 TRP A 70 82.697 1.484 10.573 1.00 1.00 H new ATOM 0 HE1 TRP A 70 85.233 1.485 10.084 1.00 1.00 H new ATOM 0 HE3 TRP A 70 82.551 2.717 5.620 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 86.950 1.967 7.810 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 84.644 2.939 4.318 1.00 1.00 H new ATOM 0 HH2 TRP A 70 86.841 2.567 5.402 1.00 1.00 H new ATOM 1043 N GLU A 71 78.581 0.748 10.201 1.00 1.00 N ATOM 1044 CA GLU A 71 78.024 0.666 11.584 1.00 1.00 C ATOM 1045 C GLU A 71 77.533 -0.757 11.863 1.00 1.00 C ATOM 1046 O GLU A 71 77.777 -1.312 12.916 1.00 1.00 O ATOM 1047 CB GLU A 71 76.854 1.643 11.716 1.00 1.00 C ATOM 1048 CG GLU A 71 77.385 3.078 11.720 1.00 1.00 C ATOM 1049 CD GLU A 71 78.022 3.383 13.077 1.00 1.00 C ATOM 1050 OE1 GLU A 71 77.372 3.147 14.082 1.00 1.00 O ATOM 1051 OE2 GLU A 71 79.150 3.848 13.088 1.00 1.00 O ATOM 0 H GLU A 71 77.891 0.887 9.462 1.00 1.00 H new ATOM 0 HA GLU A 71 78.802 0.924 12.302 1.00 1.00 H new ATOM 0 HB2 GLU A 71 76.156 1.505 10.890 1.00 1.00 H new ATOM 0 HB3 GLU A 71 76.303 1.445 12.636 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.119 3.208 10.925 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.573 3.778 11.522 1.00 1.00 H new ATOM 1058 N ALA A 72 76.835 -1.348 10.933 1.00 1.00 N ATOM 1059 CA ALA A 72 76.321 -2.731 11.150 1.00 1.00 C ATOM 1060 C ALA A 72 77.451 -3.747 10.967 1.00 1.00 C ATOM 1061 O ALA A 72 77.284 -4.923 11.224 1.00 1.00 O ATOM 1062 CB ALA A 72 75.209 -3.023 10.141 1.00 1.00 C ATOM 0 H ALA A 72 76.598 -0.934 10.032 1.00 1.00 H new ATOM 0 HA ALA A 72 75.930 -2.811 12.164 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.832 -4.034 10.298 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.398 -2.308 10.276 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.604 -2.936 9.129 1.00 1.00 H new ATOM 1068 N CYS A 73 78.598 -3.312 10.522 1.00 1.00 N ATOM 1069 CA CYS A 73 79.724 -4.268 10.324 1.00 1.00 C ATOM 1070 C CYS A 73 80.150 -4.841 11.678 1.00 1.00 C ATOM 1071 O CYS A 73 80.437 -6.015 11.802 1.00 1.00 O ATOM 1072 CB CYS A 73 80.908 -3.539 9.675 1.00 1.00 C ATOM 1073 SG CYS A 73 81.338 -4.354 8.117 1.00 1.00 S ATOM 0 H CYS A 73 78.804 -2.341 10.288 1.00 1.00 H new ATOM 0 HA CYS A 73 79.402 -5.081 9.673 1.00 1.00 H new ATOM 0 HB2 CYS A 73 80.651 -2.496 9.493 1.00 1.00 H new ATOM 0 HB3 CYS A 73 81.765 -3.543 10.349 1.00 1.00 H new ATOM 0 HG CYS A 73 82.340 -3.735 7.566 1.00 1.00 H new ATOM 1078 N ASN A 74 80.194 -4.024 12.694 1.00 1.00 N ATOM 1079 CA ASN A 74 80.603 -4.529 14.035 1.00 1.00 C ATOM 1080 C ASN A 74 79.535 -5.484 14.573 1.00 1.00 C ATOM 1081 O ASN A 74 79.578 -5.893 15.717 1.00 1.00 O ATOM 1082 CB ASN A 74 80.765 -3.351 14.998 1.00 1.00 C ATOM 1083 CG ASN A 74 79.398 -2.721 15.270 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.135 -1.610 14.856 1.00 1.00 O ATOM 1085 ND2 ASN A 74 78.509 -3.389 15.954 1.00 1.00 N ATOM 0 H ASN A 74 79.965 -3.031 12.654 1.00 1.00 H new ATOM 0 HA ASN A 74 81.551 -5.059 13.946 1.00 1.00 H new ATOM 0 HB2 ASN A 74 81.213 -3.690 15.932 1.00 1.00 H new ATOM 0 HB3 ASN A 74 81.440 -2.609 14.571 1.00 1.00 H new ATOM 0 HD21 ASN A 74 77.594 -2.978 16.140 1.00 1.00 H new ATOM 0 HD22 ASN A 74 78.729 -4.322 16.302 1.00 1.00 H new ATOM 1092 N HIS A 75 78.577 -5.845 13.763 1.00 1.00 N ATOM 1093 CA HIS A 75 77.515 -6.773 14.242 1.00 1.00 C ATOM 1094 C HIS A 75 76.790 -7.400 13.049 1.00 1.00 C ATOM 1095 O HIS A 75 75.584 -7.312 12.932 1.00 1.00 O ATOM 1096 CB HIS A 75 76.507 -6.001 15.096 1.00 1.00 C ATOM 1097 CG HIS A 75 75.506 -6.960 15.678 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.886 -8.149 16.284 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.134 -6.921 15.756 1.00 1.00 C ATOM 1100 CE1 HIS A 75 74.768 -8.772 16.696 1.00 1.00 C ATOM 1101 NE2 HIS A 75 73.675 -8.066 16.398 1.00 1.00 N ATOM 0 H HIS A 75 78.484 -5.539 12.795 1.00 1.00 H new ATOM 0 HA HIS A 75 77.975 -7.561 14.838 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.023 -5.468 15.895 1.00 1.00 H new ATOM 0 HB3 HIS A 75 75.999 -5.251 14.489 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.510 -6.125 15.378 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.756 -9.725 17.205 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.706 -8.314 16.599 1.00 1.00 H new ATOM 1110 N CYS A 76 77.513 -8.043 12.169 1.00 1.00 N ATOM 1111 CA CYS A 76 76.863 -8.688 10.990 1.00 1.00 C ATOM 1112 C CYS A 76 77.268 -10.164 10.938 1.00 1.00 C ATOM 1113 O CYS A 76 76.885 -10.951 11.781 1.00 1.00 O ATOM 1114 CB CYS A 76 77.313 -7.982 9.706 1.00 1.00 C ATOM 1115 SG CYS A 76 76.196 -6.603 9.352 1.00 1.00 S ATOM 0 H CYS A 76 78.526 -8.149 12.216 1.00 1.00 H new ATOM 0 HA CYS A 76 75.779 -8.610 11.079 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.334 -7.617 9.818 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.315 -8.685 8.873 1.00 1.00 H new ATOM 0 HG CYS A 76 76.275 -5.724 10.307 1.00 1.00 H new ATOM 1120 N GLU A 77 78.040 -10.549 9.958 1.00 1.00 N ATOM 1121 CA GLU A 77 78.467 -11.972 9.859 1.00 1.00 C ATOM 1122 C GLU A 77 79.509 -12.268 10.942 1.00 1.00 C ATOM 1123 O GLU A 77 79.354 -11.890 12.086 1.00 1.00 O ATOM 1124 CB GLU A 77 79.073 -12.225 8.475 1.00 1.00 C ATOM 1125 CG GLU A 77 79.004 -13.719 8.152 1.00 1.00 C ATOM 1126 CD GLU A 77 77.554 -14.112 7.863 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.141 -13.982 6.723 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.881 -14.538 8.788 1.00 1.00 O ATOM 0 H GLU A 77 78.393 -9.938 9.221 1.00 1.00 H new ATOM 0 HA GLU A 77 77.605 -12.624 10.001 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.533 -11.654 7.720 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.108 -11.885 8.452 1.00 1.00 H new ATOM 0 HG2 GLU A 77 79.632 -13.945 7.290 1.00 1.00 H new ATOM 0 HG3 GLU A 77 79.390 -14.301 8.989 1.00 1.00 H new ATOM 1135 N LEU A 78 80.573 -12.940 10.585 1.00 1.00 N ATOM 1136 CA LEU A 78 81.634 -13.262 11.586 1.00 1.00 C ATOM 1137 C LEU A 78 82.825 -12.322 11.374 1.00 1.00 C ATOM 1138 O LEU A 78 83.350 -11.746 12.306 1.00 1.00 O ATOM 1139 CB LEU A 78 82.080 -14.720 11.395 1.00 1.00 C ATOM 1140 CG LEU A 78 82.491 -15.315 12.743 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.532 -14.410 13.405 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.262 -15.423 13.647 1.00 1.00 C ATOM 0 H LEU A 78 80.753 -13.281 9.641 1.00 1.00 H new ATOM 0 HA LEU A 78 81.247 -13.132 12.597 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.269 -15.305 10.961 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.915 -14.766 10.696 1.00 1.00 H new ATOM 0 HG LEU A 78 82.918 -16.306 12.588 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.825 -14.834 14.365 1.00 1.00 H new ATOM 0 HD12 LEU A 78 84.408 -14.331 12.761 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.106 -13.419 13.561 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.553 -15.847 14.608 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.836 -14.432 13.802 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.520 -16.067 13.176 1.00 1.00 H new