USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 585 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 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-4.9!) USER MOD Single : A 91 THR OG1 : rot -169:sc= -0.87! USER MOD Single : A 94 GLN : amide:sc=-0.000673 X(o=-0.00067,f=-0.0043) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00327 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-7!) USER MOD Single : A 124 ASN : amide:sc= 0.179 K(o=0.18,f=-0.97) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.985 K(o=-0.98,f=-3.7) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0635 X(o=-0.064,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.391 -4.322 12.285 1.00 0.00 N ATOM 883 CA ARG A 64 -6.772 -4.684 10.913 1.00 0.00 C ATOM 884 C ARG A 64 -5.952 -3.903 9.872 1.00 0.00 C ATOM 885 O ARG A 64 -6.102 -4.124 8.665 1.00 0.00 O ATOM 886 CB ARG A 64 -8.271 -4.428 10.693 1.00 0.00 C ATOM 887 CG ARG A 64 -9.193 -5.325 11.512 1.00 0.00 C ATOM 888 CD ARG A 64 -10.664 -5.042 11.229 1.00 0.00 C ATOM 889 NE ARG A 64 -11.077 -3.706 11.683 1.00 0.00 N ATOM 890 CZ ARG A 64 -11.639 -2.770 10.903 1.00 0.00 C ATOM 891 NH1 ARG A 64 -11.867 -2.992 9.609 1.00 0.00 N ATOM 892 NH2 ARG A 64 -11.972 -1.598 11.426 1.00 0.00 N ATOM 0 HA ARG A 64 -6.561 -5.745 10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.488 -3.388 10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.498 -4.564 9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.975 -6.369 11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.993 -5.178 12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.849 -5.132 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.277 -5.796 11.723 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.925 -3.473 12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.613 -3.888 9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.295 -2.266 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.800 -1.413 12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.400 -0.881 10.840 1.00 0.00 H new ATOM 906 N VAL A 65 -5.080 -3.002 10.348 1.00 0.00 N ATOM 907 CA VAL A 65 -4.240 -2.180 9.466 1.00 0.00 C ATOM 908 C VAL A 65 -2.776 -2.621 9.576 1.00 0.00 C ATOM 909 O VAL A 65 -2.253 -2.789 10.682 1.00 0.00 O ATOM 910 CB VAL A 65 -4.363 -0.659 9.797 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.703 0.206 8.723 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.822 -0.244 9.970 1.00 0.00 C ATOM 0 H VAL A 65 -4.938 -2.824 11.342 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.592 -2.327 8.445 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.839 -0.498 10.739 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.809 1.258 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.645 -0.046 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.184 0.023 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.873 0.820 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.369 -0.443 9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.268 -0.813 10.786 1.00 0.00 H new ATOM 922 N LEU A 66 -2.131 -2.803 8.418 1.00 0.00 N ATOM 923 CA LEU A 66 -0.728 -3.237 8.360 1.00 0.00 C ATOM 924 C LEU A 66 0.112 -2.233 7.576 1.00 0.00 C ATOM 925 O LEU A 66 -0.401 -1.535 6.696 1.00 0.00 O ATOM 926 CB LEU A 66 -0.590 -4.642 7.724 1.00 0.00 C ATOM 927 CG LEU A 66 -1.851 -5.527 7.699 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.665 -6.674 6.718 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.184 -6.067 9.085 1.00 0.00 C ATOM 0 H LEU A 66 -2.559 -2.656 7.504 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.363 -3.290 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.244 -4.517 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.191 -5.181 8.260 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.688 -4.908 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.562 -7.293 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.489 -6.274 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.810 -7.278 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.079 -6.687 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.351 -6.666 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.361 -5.235 9.767 1.00 0.00 H new ATOM 941 N TYR A 67 1.405 -2.172 7.905 1.00 0.00 N ATOM 942 CA TYR A 67 2.341 -1.279 7.229 1.00 0.00 C ATOM 943 C TYR A 67 3.154 -2.069 6.206 1.00 0.00 C ATOM 944 O TYR A 67 3.914 -2.971 6.568 1.00 0.00 O ATOM 945 CB TYR A 67 3.263 -0.581 8.263 1.00 0.00 C ATOM 946 CG TYR A 67 4.659 -0.232 7.754 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.874 0.859 6.918 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.753 -1.015 8.103 1.00 0.00 C ATOM 949 CE1 TYR A 67 6.140 1.160 6.448 1.00 0.00 C ATOM 950 CE2 TYR A 67 7.023 -0.719 7.638 1.00 0.00 C ATOM 951 CZ TYR A 67 7.209 0.368 6.810 1.00 0.00 C ATOM 952 OH TYR A 67 8.469 0.664 6.345 1.00 0.00 O ATOM 0 H TYR A 67 1.827 -2.737 8.642 1.00 0.00 H new ATOM 0 HA TYR A 67 1.786 -0.502 6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.777 0.334 8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.362 -1.229 9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.039 1.481 6.631 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.610 -1.869 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.290 2.011 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.863 -1.336 7.922 1.00 0.00 H new ATOM 0 HH TYR A 67 9.109 0.009 6.694 1.00 0.00 H new ATOM 962 N VAL A 68 2.984 -1.718 4.933 1.00 0.00 N ATOM 963 CA VAL A 68 3.709 -2.375 3.848 1.00 0.00 C ATOM 964 C VAL A 68 4.660 -1.384 3.181 1.00 0.00 C ATOM 965 O VAL A 68 4.221 -0.375 2.618 1.00 0.00 O ATOM 966 CB VAL A 68 2.757 -3.017 2.791 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.175 -4.315 3.330 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.629 -2.077 2.360 1.00 0.00 C ATOM 0 H VAL A 68 2.349 -0.981 4.627 1.00 0.00 H new ATOM 0 HA VAL A 68 4.282 -3.190 4.289 1.00 0.00 H new ATOM 0 HB VAL A 68 3.359 -3.221 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.512 -4.754 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.983 -5.012 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.612 -4.111 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.999 -2.577 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.028 -1.808 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.055 -1.175 1.920 1.00 0.00 H new ATOM 978 N GLY A 69 5.960 -1.684 3.256 1.00 0.00 N ATOM 979 CA GLY A 69 6.965 -0.809 2.681 1.00 0.00 C ATOM 980 C GLY A 69 7.950 -1.539 1.796 1.00 0.00 C ATOM 981 O GLY A 69 8.194 -2.733 1.982 1.00 0.00 O ATOM 0 H GLY A 69 6.331 -2.520 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.471 -0.031 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.507 -0.311 3.485 1.00 0.00 H new ATOM 985 N GLY A 70 8.513 -0.805 0.833 1.00 0.00 N ATOM 986 CA GLY A 70 9.482 -1.374 -0.093 1.00 0.00 C ATOM 987 C GLY A 70 8.909 -1.573 -1.483 1.00 0.00 C ATOM 988 O GLY A 70 9.373 -2.437 -2.233 1.00 0.00 O ATOM 0 H GLY A 70 8.312 0.183 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.351 -0.719 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.830 -2.332 0.294 1.00 0.00 H new ATOM 992 N LEU A 71 7.896 -0.764 -1.821 1.00 0.00 N ATOM 993 CA LEU A 71 7.237 -0.832 -3.128 1.00 0.00 C ATOM 994 C LEU A 71 7.861 0.170 -4.095 1.00 0.00 C ATOM 995 O LEU A 71 8.564 1.099 -3.682 1.00 0.00 O ATOM 996 CB LEU A 71 5.720 -0.561 -3.026 1.00 0.00 C ATOM 997 CG LEU A 71 4.997 -1.087 -1.779 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.060 -0.067 -0.658 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.554 -1.403 -2.114 1.00 0.00 C ATOM 0 H LEU A 71 7.514 -0.050 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 71 7.380 -1.846 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.565 0.517 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.240 -0.994 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 71 5.494 -1.998 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.542 -0.457 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.101 0.132 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.582 0.858 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.047 -1.776 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.055 -0.499 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.520 -2.162 -2.896 1.00 0.00 H new ATOM 1011 N ALA A 72 7.589 -0.033 -5.384 1.00 0.00 N ATOM 1012 CA ALA A 72 8.102 0.832 -6.446 1.00 0.00 C ATOM 1013 C ALA A 72 7.123 1.968 -6.745 1.00 0.00 C ATOM 1014 O ALA A 72 5.931 1.859 -6.454 1.00 0.00 O ATOM 1015 CB ALA A 72 8.373 0.013 -7.702 1.00 0.00 C ATOM 0 H ALA A 72 7.008 -0.800 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 72 9.038 1.276 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.755 0.666 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.111 -0.758 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.448 -0.455 -8.038 1.00 0.00 H new ATOM 1021 N GLU A 73 7.637 3.061 -7.323 1.00 0.00 N ATOM 1022 CA GLU A 73 6.816 4.238 -7.673 1.00 0.00 C ATOM 1023 C GLU A 73 5.762 3.900 -8.728 1.00 0.00 C ATOM 1024 O GLU A 73 4.710 4.542 -8.795 1.00 0.00 O ATOM 1025 CB GLU A 73 7.708 5.374 -8.171 1.00 0.00 C ATOM 1026 CG GLU A 73 8.624 5.913 -7.093 1.00 0.00 C ATOM 1027 CD GLU A 73 9.653 6.891 -7.624 1.00 0.00 C ATOM 1028 OE1 GLU A 73 10.629 6.441 -8.259 1.00 0.00 O ATOM 1029 OE2 GLU A 73 9.483 8.110 -7.404 1.00 0.00 O ATOM 0 H GLU A 73 8.624 3.159 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 73 6.294 4.556 -6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.309 5.018 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.082 6.183 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.024 6.405 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.137 5.081 -6.610 1.00 0.00 H new ATOM 1036 N GLU A 74 6.067 2.883 -9.543 1.00 0.00 N ATOM 1037 CA GLU A 74 5.165 2.412 -10.599 1.00 0.00 C ATOM 1038 C GLU A 74 3.985 1.608 -10.026 1.00 0.00 C ATOM 1039 O GLU A 74 3.084 1.212 -10.776 1.00 0.00 O ATOM 1040 CB GLU A 74 5.938 1.558 -11.618 1.00 0.00 C ATOM 1041 CG GLU A 74 6.953 2.331 -12.466 1.00 0.00 C ATOM 1042 CD GLU A 74 6.328 3.399 -13.358 1.00 0.00 C ATOM 1043 OE1 GLU A 74 5.414 3.064 -14.144 1.00 0.00 O ATOM 1044 OE2 GLU A 74 6.755 4.569 -13.268 1.00 0.00 O ATOM 0 H GLU A 74 6.944 2.365 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 74 4.758 3.291 -11.098 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.461 0.765 -11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.222 1.075 -12.284 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.679 2.804 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.502 1.626 -13.090 1.00 0.00 H new ATOM 1051 N VAL A 75 3.986 1.380 -8.696 1.00 0.00 N ATOM 1052 CA VAL A 75 2.902 0.613 -8.048 1.00 0.00 C ATOM 1053 C VAL A 75 1.731 1.532 -7.673 1.00 0.00 C ATOM 1054 O VAL A 75 1.937 2.669 -7.238 1.00 0.00 O ATOM 1055 CB VAL A 75 3.373 -0.221 -6.798 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.733 -0.871 -7.034 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.390 0.598 -5.506 1.00 0.00 C ATOM 0 H VAL A 75 4.712 1.709 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 75 2.569 -0.114 -8.789 1.00 0.00 H new ATOM 0 HB VAL A 75 2.630 -1.008 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.024 -1.438 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.672 -1.542 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.476 -0.098 -7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.723 -0.031 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.072 1.440 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.387 0.969 -5.297 1.00 0.00 H new ATOM 1067 N ASP A 76 0.513 1.021 -7.854 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.708 1.770 -7.547 1.00 0.00 C ATOM 1069 C ASP A 76 -1.563 1.013 -6.525 1.00 0.00 C ATOM 1070 O ASP A 76 -1.192 -0.084 -6.092 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.509 2.033 -8.838 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.778 2.928 -9.832 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -0.103 3.887 -9.396 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.884 2.667 -11.048 1.00 0.00 O ATOM 0 H ASP A 76 0.344 0.082 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.428 2.729 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.736 1.080 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.462 2.494 -8.578 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.711 1.603 -6.139 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.636 0.993 -5.165 1.00 0.00 C ATOM 1081 C ASP A 77 -4.153 -0.367 -5.650 1.00 0.00 C ATOM 1082 O ASP A 77 -4.445 -1.256 -4.845 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.821 1.926 -4.896 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.426 3.170 -4.124 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.185 3.059 -2.905 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.359 4.255 -4.739 1.00 0.00 O ATOM 0 H ASP A 77 -3.021 2.509 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.078 0.837 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.269 2.220 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.584 1.384 -4.337 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.256 -0.505 -6.981 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.734 -1.733 -7.635 1.00 0.00 C ATOM 1093 C LYS A 78 -3.727 -2.867 -7.457 1.00 0.00 C ATOM 1094 O LYS A 78 -4.097 -4.018 -7.210 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.947 -1.472 -9.131 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.988 -0.407 -9.432 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.109 -0.166 -10.922 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.015 1.016 -11.218 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.876 1.485 -12.624 1.00 0.00 N ATOM 0 H LYS A 78 -4.009 0.236 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.677 -2.026 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.998 -1.173 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.245 -2.403 -9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.954 -0.715 -9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.717 0.522 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.121 0.016 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.503 -1.059 -11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.051 0.735 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.778 1.834 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.511 2.293 -12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.893 1.778 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.127 0.713 -13.274 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.443 -2.502 -7.589 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.319 -3.419 -7.452 1.00 0.00 C ATOM 1115 C VAL A 79 -1.191 -3.934 -6.008 1.00 0.00 C ATOM 1116 O VAL A 79 -1.038 -5.141 -5.785 1.00 0.00 O ATOM 1117 CB VAL A 79 0.003 -2.717 -7.879 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.081 -3.732 -8.160 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.193 -1.833 -9.108 1.00 0.00 C ATOM 0 H VAL A 79 -2.160 -1.544 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.503 -4.272 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 79 0.308 -2.084 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.996 -3.219 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.270 -4.320 -7.262 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.758 -4.392 -8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.754 -1.362 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.541 -2.442 -9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.932 -1.063 -8.888 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.272 -3.007 -5.037 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.167 -3.351 -3.612 1.00 0.00 C ATOM 1131 C LEU A 80 -2.366 -4.193 -3.143 1.00 0.00 C ATOM 1132 O LEU A 80 -2.203 -5.133 -2.360 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.062 -2.074 -2.762 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.316 -2.227 -1.424 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.302 -0.906 -1.000 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.242 -2.747 -0.331 1.00 0.00 C ATOM 0 H LEU A 80 -1.410 -2.012 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.264 -3.948 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.561 -1.306 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.069 -1.711 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 80 0.480 -2.957 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.824 -1.036 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.008 -0.574 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.482 -0.158 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.686 -2.844 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.067 -2.049 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.637 -3.721 -0.621 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.565 -3.843 -3.641 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.811 -4.542 -3.289 1.00 0.00 C ATOM 1150 C HIS A 81 -4.840 -5.975 -3.850 1.00 0.00 C ATOM 1151 O HIS A 81 -5.142 -6.927 -3.124 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.016 -3.739 -3.808 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.296 -3.996 -3.066 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.125 -5.064 -3.340 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -7.891 -3.308 -2.063 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.176 -5.018 -2.540 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.057 -3.965 -1.755 1.00 0.00 N ATOM 0 H HIS A 81 -3.696 -3.072 -4.295 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.862 -4.618 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.782 -2.676 -3.748 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.167 -3.973 -4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.518 -2.410 -1.593 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.994 -5.723 -2.531 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.723 -3.684 -1.036 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.512 -6.108 -5.144 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.498 -7.404 -5.840 1.00 0.00 C ATOM 1168 C ALA A 82 -3.353 -8.320 -5.385 1.00 0.00 C ATOM 1169 O ALA A 82 -3.422 -9.538 -5.579 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.424 -7.182 -7.343 1.00 0.00 C ATOM 0 H ALA A 82 -4.249 -5.321 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.427 -7.913 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.414 -8.145 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.291 -6.608 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.514 -6.634 -7.585 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.306 -7.731 -4.785 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.137 -8.488 -4.326 1.00 0.00 C ATOM 1178 C ALA A 83 -1.372 -9.083 -2.943 1.00 0.00 C ATOM 1179 O ALA A 83 -0.868 -10.163 -2.622 1.00 0.00 O ATOM 1180 CB ALA A 83 0.089 -7.590 -4.306 1.00 0.00 C ATOM 0 H ALA A 83 -2.248 -6.728 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.971 -9.310 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.952 -8.161 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.279 -7.211 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.084 -6.753 -3.629 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.146 -8.355 -2.141 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.466 -8.754 -0.778 1.00 0.00 C ATOM 1188 C PHE A 84 -3.893 -9.311 -0.650 1.00 0.00 C ATOM 1189 O PHE A 84 -4.325 -9.675 0.450 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.273 -7.550 0.142 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.830 -7.187 0.367 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.091 -7.806 1.363 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.214 -6.233 -0.425 1.00 0.00 C ATOM 1194 CE1 PHE A 84 1.237 -7.479 1.563 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.112 -5.900 -0.229 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.839 -6.524 0.767 1.00 0.00 C ATOM 0 H PHE A 84 -2.569 -7.470 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.794 -9.562 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.793 -6.691 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.740 -7.760 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.558 -8.552 1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.777 -5.743 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.803 -7.970 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.580 -5.153 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.876 -6.265 0.923 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.615 -9.387 -1.782 1.00 0.00 N ATOM 1207 CA ILE A 85 -5.997 -9.896 -1.808 1.00 0.00 C ATOM 1208 C ILE A 85 -6.103 -11.438 -1.552 1.00 0.00 C ATOM 1209 O ILE A 85 -7.097 -11.864 -0.957 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.743 -9.465 -3.126 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.261 -9.698 -3.017 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.193 -10.156 -4.375 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.017 -8.561 -2.357 1.00 0.00 C ATOM 0 H ILE A 85 -4.262 -9.101 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.506 -9.427 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.557 -8.397 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.666 -9.857 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.437 -10.613 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.747 -9.819 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.139 -9.907 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.301 -11.236 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.079 -8.804 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.642 -8.414 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.874 -7.647 -2.933 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.114 -12.306 -1.980 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.201 -13.769 -1.747 1.00 0.00 C ATOM 1227 C PRO A 86 -5.284 -14.166 -0.263 1.00 0.00 C ATOM 1228 O PRO A 86 -5.782 -15.247 0.063 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.915 -14.332 -2.366 1.00 0.00 C ATOM 1230 CG PRO A 86 -2.999 -13.169 -2.514 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.873 -11.968 -2.722 1.00 0.00 C ATOM 0 HA PRO A 86 -6.118 -14.162 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.475 -15.098 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.116 -14.798 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.377 -13.048 -1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.325 -13.310 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.408 -11.062 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.073 -11.796 -3.780 1.00 0.00 H new ATOM 1239 N PHE A 87 -4.794 -13.283 0.624 1.00 0.00 N ATOM 1240 CA PHE A 87 -4.796 -13.541 2.076 1.00 0.00 C ATOM 1241 C PHE A 87 -6.159 -13.248 2.713 1.00 0.00 C ATOM 1242 O PHE A 87 -6.539 -13.897 3.693 1.00 0.00 O ATOM 1243 CB PHE A 87 -3.718 -12.699 2.785 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.341 -12.789 2.167 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.591 -13.954 2.261 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -1.800 -11.703 1.493 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.333 -14.032 1.694 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.542 -11.778 0.927 1.00 0.00 C ATOM 1249 CZ PHE A 87 0.192 -12.944 1.026 1.00 0.00 C ATOM 0 H PHE A 87 -4.391 -12.384 0.361 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.577 -14.601 2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.034 -11.656 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.656 -13.015 3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.995 -14.809 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.369 -10.789 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.239 -14.944 1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.132 -10.925 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.175 -13.004 0.582 1.00 0.00 H new ATOM 1259 N GLY A 88 -6.883 -12.273 2.149 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.191 -11.900 2.672 1.00 0.00 C ATOM 1261 C GLY A 88 -8.793 -10.712 1.952 1.00 0.00 C ATOM 1262 O GLY A 88 -8.277 -10.273 0.919 1.00 0.00 O ATOM 0 H GLY A 88 -6.583 -11.735 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.867 -12.751 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.100 -11.668 3.733 1.00 0.00 H new ATOM 1266 N ASP A 89 -9.895 -10.191 2.509 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.595 -9.035 1.940 1.00 0.00 C ATOM 1268 C ASP A 89 -9.951 -7.727 2.396 1.00 0.00 C ATOM 1269 O ASP A 89 -9.662 -7.550 3.584 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.076 -9.053 2.342 1.00 0.00 C ATOM 1271 CG ASP A 89 -12.854 -10.209 1.728 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -12.603 -10.546 0.548 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.716 -10.779 2.429 1.00 0.00 O ATOM 0 H ASP A 89 -10.322 -10.557 3.360 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.519 -9.099 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.150 -9.111 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.538 -8.113 2.041 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.733 -6.821 1.441 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.123 -5.519 1.722 1.00 0.00 C ATOM 1280 C ILE A 90 -10.146 -4.406 1.493 1.00 0.00 C ATOM 1281 O ILE A 90 -10.919 -4.447 0.532 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.849 -5.274 0.855 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -6.850 -6.428 1.035 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.174 -3.946 1.219 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.112 -6.802 -0.232 1.00 0.00 C ATOM 0 H ILE A 90 -9.971 -6.966 0.460 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.810 -5.515 2.766 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.163 -5.226 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.123 -6.151 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.384 -7.303 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.290 -3.805 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.871 -3.125 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.881 -3.963 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.426 -7.623 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.829 -7.111 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.549 -5.941 -0.593 1.00 0.00 H new ATOM 1297 N THR A 91 -10.131 -3.418 2.393 1.00 0.00 N ATOM 1298 CA THR A 91 -11.056 -2.287 2.328 1.00 0.00 C ATOM 1299 C THR A 91 -10.490 -1.123 1.506 1.00 0.00 C ATOM 1300 O THR A 91 -11.066 -0.762 0.476 1.00 0.00 O ATOM 1301 CB THR A 91 -11.435 -1.786 3.743 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.378 -2.059 4.669 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.716 -2.449 4.227 1.00 0.00 C ATOM 0 H THR A 91 -9.483 -3.381 3.180 1.00 0.00 H new ATOM 0 HA THR A 91 -11.952 -2.654 1.828 1.00 0.00 H new ATOM 0 HB THR A 91 -11.595 -0.709 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.693 -1.896 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.962 -2.081 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.530 -2.212 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.575 -3.529 4.264 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.366 -0.539 1.963 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.743 0.600 1.269 1.00 0.00 C ATOM 1313 C ASP A 92 -7.218 0.588 1.389 1.00 0.00 C ATOM 1314 O ASP A 92 -6.662 0.018 2.333 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.275 1.929 1.841 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.741 2.183 1.520 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.161 1.913 0.372 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.470 2.653 2.419 1.00 0.00 O ATOM 0 H ASP A 92 -8.874 -0.837 2.806 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.005 0.508 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.143 1.929 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.677 2.751 1.447 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.558 1.230 0.414 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.097 1.362 0.391 1.00 0.00 C ATOM 1325 C ILE A 93 -4.747 2.850 0.495 1.00 0.00 C ATOM 1326 O ILE A 93 -5.222 3.654 -0.313 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.454 0.755 -0.910 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.883 -0.721 -1.168 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.925 0.856 -0.877 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.802 -1.661 0.032 1.00 0.00 C ATOM 0 H ILE A 93 -7.023 1.671 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.691 0.801 1.233 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.834 1.355 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.909 -0.721 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.259 -1.126 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.512 0.428 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.631 1.903 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.543 0.309 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.124 -2.659 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.774 -1.704 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.450 -1.293 0.827 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.922 3.205 1.484 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.529 4.604 1.687 1.00 0.00 C ATOM 1344 C GLN A 94 -2.018 4.796 1.580 1.00 0.00 C ATOM 1345 O GLN A 94 -1.244 4.117 2.262 1.00 0.00 O ATOM 1346 CB GLN A 94 -4.032 5.113 3.046 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.553 5.251 3.146 1.00 0.00 C ATOM 1348 CD GLN A 94 -6.105 6.439 2.369 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.720 7.586 2.603 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -7.013 6.166 1.439 1.00 0.00 N ATOM 0 H GLN A 94 -3.516 2.550 2.152 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.993 5.188 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.689 4.432 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.577 6.083 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.018 4.337 2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.833 5.350 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.304 5.202 1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.420 6.921 0.886 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.620 5.730 0.710 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.207 6.059 0.485 1.00 0.00 C ATOM 1361 C ILE A 95 0.009 7.581 0.628 1.00 0.00 C ATOM 1362 O ILE A 95 -0.575 8.346 -0.146 1.00 0.00 O ATOM 1363 CB ILE A 95 0.297 5.604 -0.924 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.343 4.276 -1.354 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.820 5.468 -0.944 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.554 4.448 -2.238 1.00 0.00 C ATOM 0 H ILE A 95 -2.266 6.279 0.143 1.00 0.00 H new ATOM 0 HA ILE A 95 0.368 5.518 1.237 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.002 6.376 -1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.400 3.678 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.630 3.715 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.144 5.151 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.274 6.429 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.129 4.727 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.953 3.469 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.315 5.019 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.269 4.981 -3.145 1.00 0.00 H new ATOM 1378 N PRO A 96 0.835 8.061 1.619 1.00 0.00 N ATOM 1379 CA PRO A 96 1.101 9.509 1.797 1.00 0.00 C ATOM 1380 C PRO A 96 1.714 10.152 0.546 1.00 0.00 C ATOM 1381 O PRO A 96 2.724 9.670 0.022 1.00 0.00 O ATOM 1382 CB PRO A 96 2.098 9.560 2.962 1.00 0.00 C ATOM 1383 CG PRO A 96 1.902 8.278 3.691 1.00 0.00 C ATOM 1384 CD PRO A 96 1.547 7.259 2.645 1.00 0.00 C ATOM 0 HA PRO A 96 0.181 10.063 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.122 9.657 2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.906 10.416 3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.807 7.990 4.225 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.109 8.368 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.434 6.777 2.235 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.914 6.470 3.050 1.00 0.00 H new ATOM 1392 N LEU A 97 1.085 11.233 0.076 1.00 0.00 N ATOM 1393 CA LEU A 97 1.544 11.941 -1.118 1.00 0.00 C ATOM 1394 C LEU A 97 1.769 13.424 -0.827 1.00 0.00 C ATOM 1395 O LEU A 97 0.933 14.071 -0.190 1.00 0.00 O ATOM 1396 CB LEU A 97 0.513 11.780 -2.245 1.00 0.00 C ATOM 1397 CG LEU A 97 1.056 11.938 -3.666 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.331 10.576 -4.284 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.078 12.729 -4.522 1.00 0.00 C ATOM 0 H LEU A 97 0.254 11.637 0.508 1.00 0.00 H new ATOM 0 HA LEU A 97 2.495 11.508 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.057 10.794 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.280 12.513 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 97 1.995 12.489 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.717 10.706 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.067 10.045 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.407 9.999 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.479 12.833 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.876 12.204 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.070 13.717 -4.087 1.00 0.00 H new ATOM 1411 N ASP A 98 2.908 13.949 -1.299 1.00 0.00 N ATOM 1412 CA ASP A 98 3.254 15.364 -1.118 1.00 0.00 C ATOM 1413 C ASP A 98 2.724 16.190 -2.286 1.00 0.00 C ATOM 1414 O ASP A 98 2.736 15.730 -3.427 1.00 0.00 O ATOM 1415 CB ASP A 98 4.775 15.552 -0.997 1.00 0.00 C ATOM 1416 CG ASP A 98 5.378 14.844 0.208 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.779 14.904 1.304 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.454 14.228 0.053 1.00 0.00 O ATOM 0 H ASP A 98 3.608 13.412 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 98 2.790 15.707 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.253 15.181 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.998 16.617 -0.932 1.00 0.00 H new ATOM 1423 N TYR A 99 2.247 17.404 -1.991 1.00 0.00 N ATOM 1424 CA TYR A 99 1.700 18.315 -3.014 1.00 0.00 C ATOM 1425 C TYR A 99 2.755 18.770 -4.033 1.00 0.00 C ATOM 1426 O TYR A 99 2.444 18.977 -5.209 1.00 0.00 O ATOM 1427 CB TYR A 99 1.079 19.549 -2.345 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.142 19.247 -1.501 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.359 18.951 -2.097 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.078 19.265 -0.114 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.481 18.678 -1.337 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.194 18.992 0.655 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.393 18.701 0.039 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.506 18.430 0.800 1.00 0.00 O ATOM 0 H TYR A 99 2.227 17.785 -1.045 1.00 0.00 H new ATOM 0 HA TYR A 99 0.940 17.753 -3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.832 20.026 -1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.805 20.268 -3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.431 18.933 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.859 19.496 0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.420 18.448 -1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.127 19.007 1.733 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.274 18.486 1.750 1.00 0.00 H new ATOM 1444 N GLU A 100 3.996 18.915 -3.560 1.00 0.00 N ATOM 1445 CA GLU A 100 5.125 19.373 -4.386 1.00 0.00 C ATOM 1446 C GLU A 100 5.584 18.323 -5.421 1.00 0.00 C ATOM 1447 O GLU A 100 5.758 18.653 -6.598 1.00 0.00 O ATOM 1448 CB GLU A 100 6.295 19.764 -3.462 1.00 0.00 C ATOM 1449 CG GLU A 100 7.402 20.570 -4.142 1.00 0.00 C ATOM 1450 CD GLU A 100 8.580 20.835 -3.224 1.00 0.00 C ATOM 1451 OE1 GLU A 100 8.422 21.622 -2.266 1.00 0.00 O ATOM 1452 OE2 GLU A 100 9.660 20.254 -3.461 1.00 0.00 O ATOM 0 H GLU A 100 4.250 18.719 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 100 4.786 20.236 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.903 20.344 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.729 18.856 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.748 20.032 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.995 21.520 -4.487 1.00 0.00 H new ATOM 1459 N THR A 101 5.775 17.074 -4.978 1.00 0.00 N ATOM 1460 CA THR A 101 6.244 15.997 -5.866 1.00 0.00 C ATOM 1461 C THR A 101 5.118 15.108 -6.382 1.00 0.00 C ATOM 1462 O THR A 101 5.225 14.551 -7.476 1.00 0.00 O ATOM 1463 CB THR A 101 7.290 15.107 -5.159 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.801 14.693 -3.878 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.616 15.841 -4.990 1.00 0.00 C ATOM 0 H THR A 101 5.613 16.783 -4.014 1.00 0.00 H new ATOM 0 HA THR A 101 6.693 16.503 -6.720 1.00 0.00 H new ATOM 0 HB THR A 101 7.460 14.230 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.471 14.128 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.332 15.189 -4.489 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.004 16.122 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.461 16.738 -4.390 1.00 0.00 H new ATOM 1473 N GLU A 102 4.021 14.992 -5.606 1.00 0.00 N ATOM 1474 CA GLU A 102 2.857 14.140 -5.965 1.00 0.00 C ATOM 1475 C GLU A 102 3.275 12.665 -6.167 1.00 0.00 C ATOM 1476 O GLU A 102 2.578 11.888 -6.833 1.00 0.00 O ATOM 1477 CB GLU A 102 2.132 14.677 -7.221 1.00 0.00 C ATOM 1478 CG GLU A 102 1.433 16.013 -7.008 1.00 0.00 C ATOM 1479 CD GLU A 102 0.686 16.483 -8.242 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.295 17.193 -9.069 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.507 16.141 -8.379 1.00 0.00 O ATOM 0 H GLU A 102 3.912 15.481 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 102 2.160 14.180 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.856 14.782 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.396 13.941 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.734 15.925 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.171 16.764 -6.726 1.00 0.00 H new ATOM 1488 N LYS A 103 4.413 12.296 -5.560 1.00 0.00 N ATOM 1489 CA LYS A 103 4.961 10.939 -5.658 1.00 0.00 C ATOM 1490 C LYS A 103 5.135 10.338 -4.264 1.00 0.00 C ATOM 1491 O LYS A 103 5.259 11.073 -3.279 1.00 0.00 O ATOM 1492 CB LYS A 103 6.323 10.940 -6.382 1.00 0.00 C ATOM 1493 CG LYS A 103 6.388 11.802 -7.643 1.00 0.00 C ATOM 1494 CD LYS A 103 7.350 11.223 -8.667 1.00 0.00 C ATOM 1495 CE LYS A 103 7.454 12.110 -9.897 1.00 0.00 C ATOM 1496 NZ LYS A 103 8.563 11.687 -10.796 1.00 0.00 N ATOM 0 H LYS A 103 4.975 12.928 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 103 4.257 10.338 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.087 11.285 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.576 9.914 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.393 11.882 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.702 12.812 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.336 11.107 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.015 10.229 -8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.512 12.082 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.612 13.143 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.600 12.317 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.465 11.738 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.400 10.710 -11.113 1.00 0.00 H new ATOM 1510 N HIS A 104 5.148 9.001 -4.187 1.00 0.00 N ATOM 1511 CA HIS A 104 5.320 8.304 -2.910 1.00 0.00 C ATOM 1512 C HIS A 104 6.770 7.831 -2.739 1.00 0.00 C ATOM 1513 O HIS A 104 7.511 7.712 -3.721 1.00 0.00 O ATOM 1514 CB HIS A 104 4.326 7.129 -2.786 1.00 0.00 C ATOM 1515 CG HIS A 104 4.507 6.024 -3.792 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.112 4.821 -3.485 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.149 5.941 -5.096 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.117 4.048 -4.556 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.538 4.703 -5.546 1.00 0.00 N ATOM 0 H HIS A 104 5.042 8.384 -4.992 1.00 0.00 H new ATOM 0 HA HIS A 104 5.103 9.006 -2.105 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.413 6.705 -1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.313 7.520 -2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.651 6.705 -5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.525 3.050 -4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.402 4.347 -6.492 1.00 0.00 H new ATOM 1528 N ARG A 105 7.158 7.560 -1.487 1.00 0.00 N ATOM 1529 CA ARG A 105 8.519 7.106 -1.168 1.00 0.00 C ATOM 1530 C ARG A 105 8.657 5.576 -1.242 1.00 0.00 C ATOM 1531 O ARG A 105 9.747 5.037 -1.011 1.00 0.00 O ATOM 1532 CB ARG A 105 8.936 7.609 0.219 1.00 0.00 C ATOM 1533 CG ARG A 105 9.164 9.114 0.293 1.00 0.00 C ATOM 1534 CD ARG A 105 9.685 9.541 1.658 1.00 0.00 C ATOM 1535 NE ARG A 105 11.086 9.149 1.868 1.00 0.00 N ATOM 1536 CZ ARG A 105 12.080 9.993 2.184 1.00 0.00 C ATOM 1537 NH1 ARG A 105 11.857 11.298 2.340 1.00 0.00 N ATOM 1538 NH2 ARG A 105 13.309 9.523 2.347 1.00 0.00 N ATOM 0 H ARG A 105 6.547 7.647 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 105 9.184 7.528 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.167 7.333 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.851 7.099 0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.876 9.412 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.230 9.634 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.594 10.623 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.065 9.096 2.436 1.00 0.00 H new ATOM 0 HE ARG A 105 11.320 8.161 1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.916 11.673 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.627 11.922 2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.493 8.526 2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.070 10.158 2.587 1.00 0.00 H new ATOM 1552 N GLY A 106 7.558 4.887 -1.577 1.00 0.00 N ATOM 1553 CA GLY A 106 7.584 3.434 -1.689 1.00 0.00 C ATOM 1554 C GLY A 106 7.051 2.704 -0.468 1.00 0.00 C ATOM 1555 O GLY A 106 7.502 1.594 -0.175 1.00 0.00 O ATOM 0 H GLY A 106 6.652 5.313 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.999 3.138 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.610 3.113 -1.871 1.00 0.00 H new ATOM 1559 N PHE A 107 6.112 3.332 0.261 1.00 0.00 N ATOM 1560 CA PHE A 107 5.489 2.702 1.431 1.00 0.00 C ATOM 1561 C PHE A 107 4.023 3.108 1.556 1.00 0.00 C ATOM 1562 O PHE A 107 3.649 4.239 1.227 1.00 0.00 O ATOM 1563 CB PHE A 107 6.260 2.975 2.746 1.00 0.00 C ATOM 1564 CG PHE A 107 6.475 4.427 3.106 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.476 5.160 3.728 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.690 5.041 2.849 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.683 6.479 4.084 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.901 6.361 3.201 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.898 7.080 3.820 1.00 0.00 C ATOM 0 H PHE A 107 5.771 4.272 0.059 1.00 0.00 H new ATOM 0 HA PHE A 107 5.536 1.626 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.722 2.496 3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.234 2.491 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.524 4.694 3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.480 4.483 2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.896 7.039 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.851 6.830 2.992 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.063 8.111 4.097 1.00 0.00 H new ATOM 1579 N ALA A 108 3.203 2.164 2.037 1.00 0.00 N ATOM 1580 CA ALA A 108 1.758 2.367 2.208 1.00 0.00 C ATOM 1581 C ALA A 108 1.204 1.474 3.320 1.00 0.00 C ATOM 1582 O ALA A 108 1.882 0.550 3.777 1.00 0.00 O ATOM 1583 CB ALA A 108 1.031 2.064 0.900 1.00 0.00 C ATOM 0 H ALA A 108 3.523 1.237 2.319 1.00 0.00 H new ATOM 0 HA ALA A 108 1.594 3.408 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.040 2.217 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.397 2.729 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.216 1.029 0.612 1.00 0.00 H new ATOM 1589 N PHE A 109 -0.022 1.774 3.764 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.697 0.975 4.788 1.00 0.00 C ATOM 1591 C PHE A 109 -1.884 0.264 4.154 1.00 0.00 C ATOM 1592 O PHE A 109 -2.553 0.826 3.281 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.176 1.842 5.962 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.072 2.557 6.698 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.432 3.762 6.226 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.451 2.030 7.866 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.436 4.421 6.905 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.458 2.685 8.549 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.951 3.884 8.069 1.00 0.00 C ATOM 0 H PHE A 109 -0.567 2.568 3.427 1.00 0.00 H new ATOM 0 HA PHE A 109 0.014 0.250 5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.884 2.581 5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.717 1.211 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.033 4.188 5.317 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.067 1.096 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.819 5.357 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.860 2.260 9.457 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.736 4.399 8.602 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.145 -0.967 4.593 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.248 -1.755 4.048 1.00 0.00 C ATOM 1611 C VAL A 110 -4.296 -2.053 5.134 1.00 0.00 C ATOM 1612 O VAL A 110 -3.949 -2.415 6.264 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.715 -3.064 3.361 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.007 -4.001 4.342 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.827 -3.804 2.618 1.00 0.00 C ATOM 0 H VAL A 110 -1.609 -1.438 5.322 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.745 -1.168 3.275 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.972 -2.740 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.660 -4.888 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.154 -3.487 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.701 -4.297 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.420 -4.703 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.613 -4.081 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.243 -3.156 1.846 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.570 -1.894 4.762 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.689 -2.122 5.674 1.00 0.00 C ATOM 1627 C GLU A 111 -7.433 -3.407 5.312 1.00 0.00 C ATOM 1628 O GLU A 111 -7.860 -3.582 4.166 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.653 -0.930 5.618 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.195 -0.491 6.972 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.679 -0.182 6.937 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -10.484 -1.108 7.172 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.036 0.985 6.674 1.00 0.00 O ATOM 0 H GLU A 111 -5.851 -1.605 3.825 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.295 -2.226 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.141 -0.086 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.492 -1.188 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.009 -1.276 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.652 0.393 7.307 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.579 -4.299 6.295 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.279 -5.568 6.100 1.00 0.00 C ATOM 1642 C PHE A 112 -9.593 -5.588 6.870 1.00 0.00 C ATOM 1643 O PHE A 112 -9.647 -5.170 8.030 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.404 -6.747 6.540 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.435 -7.216 5.488 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.163 -6.671 5.394 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.800 -8.211 4.595 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.276 -7.112 4.430 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.916 -8.654 3.630 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.654 -8.105 3.548 1.00 0.00 C ATOM 0 H PHE A 112 -7.219 -4.163 7.239 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.494 -5.666 5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.846 -6.459 7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.049 -7.579 6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.862 -5.894 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.787 -8.645 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.288 -6.680 4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.213 -9.430 2.940 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.962 -8.451 2.795 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.654 -6.079 6.210 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.992 -6.179 6.816 1.00 0.00 C ATOM 1662 C GLU A 113 -11.982 -7.171 7.996 1.00 0.00 C ATOM 1663 O GLU A 113 -12.665 -6.957 9.003 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.015 -6.606 5.750 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.473 -6.442 6.165 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.443 -7.014 5.148 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.434 -8.247 4.942 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.213 -6.228 4.558 1.00 0.00 O ATOM 0 H GLU A 113 -10.610 -6.416 5.248 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.278 -5.202 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.841 -6.024 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.839 -7.651 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.630 -6.933 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.688 -5.383 6.309 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.200 -8.246 7.847 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.061 -9.269 8.882 1.00 0.00 C ATOM 1677 C LEU A 114 -9.708 -9.156 9.567 1.00 0.00 C ATOM 1678 O LEU A 114 -8.674 -9.043 8.902 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.217 -10.674 8.282 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.659 -11.130 8.024 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.193 -10.552 6.721 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.736 -12.650 8.001 1.00 0.00 C ATOM 0 H LEU A 114 -10.649 -8.428 7.008 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.848 -9.109 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.670 -10.710 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.743 -11.390 8.953 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.282 -10.758 8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.217 -10.892 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.176 -9.463 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.569 -10.886 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.765 -12.959 7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.094 -13.035 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.404 -13.046 8.961 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.728 -9.187 10.905 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.503 -9.107 11.716 1.00 0.00 C ATOM 1696 C ALA A 115 -7.661 -10.384 11.578 1.00 0.00 C ATOM 1697 O ALA A 115 -6.442 -10.361 11.779 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.855 -8.862 13.176 1.00 0.00 C ATOM 0 H ALA A 115 -10.584 -9.267 11.454 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.908 -8.271 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.940 -8.805 13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.404 -7.925 13.266 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.473 -9.681 13.544 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.338 -11.492 11.225 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.701 -12.806 11.040 1.00 0.00 C ATOM 1706 C GLU A 116 -6.751 -12.814 9.837 1.00 0.00 C ATOM 1707 O GLU A 116 -5.631 -13.328 9.925 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.782 -13.880 10.847 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.598 -14.199 12.098 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.793 -14.859 13.211 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.144 -15.896 12.949 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -8.813 -14.336 14.346 1.00 0.00 O ATOM 0 H GLU A 116 -9.345 -11.500 11.060 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.113 -13.020 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.462 -13.554 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.306 -14.796 10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.036 -13.276 12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.424 -14.855 11.823 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.213 -12.231 8.720 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.419 -12.138 7.482 1.00 0.00 C ATOM 1721 C ASP A 117 -5.235 -11.180 7.648 1.00 0.00 C ATOM 1722 O ASP A 117 -4.179 -11.382 7.046 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.287 -11.691 6.298 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.389 -12.683 5.951 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.118 -13.905 5.942 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.524 -12.235 5.687 1.00 0.00 O ATOM 0 H ASP A 117 -8.141 -11.813 8.648 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.031 -13.136 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.737 -10.726 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.651 -11.545 5.425 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.433 -10.133 8.472 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.397 -9.127 8.750 1.00 0.00 C ATOM 1733 C ALA A 118 -3.156 -9.764 9.387 1.00 0.00 C ATOM 1734 O ALA A 118 -2.025 -9.528 8.941 1.00 0.00 O ATOM 1735 CB ALA A 118 -4.966 -8.050 9.661 1.00 0.00 C ATOM 0 H ALA A 118 -6.312 -9.964 8.960 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.089 -8.679 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.198 -7.305 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.815 -7.571 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.294 -8.501 10.597 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.387 -10.591 10.422 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.308 -11.308 11.110 1.00 0.00 C ATOM 1743 C ALA A 119 -1.690 -12.352 10.179 1.00 0.00 C ATOM 1744 O ALA A 119 -0.500 -12.668 10.280 1.00 0.00 O ATOM 1745 CB ALA A 119 -2.834 -11.968 12.377 1.00 0.00 C ATOM 0 H ALA A 119 -4.316 -10.777 10.799 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.535 -10.592 11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.022 -12.496 12.876 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.236 -11.206 13.045 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.622 -12.676 12.119 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.528 -12.863 9.261 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.114 -13.861 8.267 1.00 0.00 C ATOM 1753 C ALA A 120 -1.207 -13.241 7.201 1.00 0.00 C ATOM 1754 O ALA A 120 -0.254 -13.874 6.745 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.337 -14.491 7.612 1.00 0.00 C ATOM 0 H ALA A 120 -3.509 -12.595 9.189 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.547 -14.635 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.016 -15.229 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.947 -14.978 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.924 -13.717 7.117 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.515 -11.990 6.820 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.738 -11.253 5.815 1.00 0.00 C ATOM 1763 C ALA A 121 0.683 -10.950 6.303 1.00 0.00 C ATOM 1764 O ALA A 121 1.635 -11.014 5.520 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.456 -9.965 5.438 1.00 0.00 C ATOM 0 H ALA A 121 -2.304 -11.466 7.198 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.652 -11.887 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.871 -9.427 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.437 -10.202 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.575 -9.342 6.324 1.00 0.00 H new ATOM 1771 N ILE A 122 0.815 -10.620 7.601 1.00 0.00 N ATOM 1772 CA ILE A 122 2.125 -10.314 8.206 1.00 0.00 C ATOM 1773 C ILE A 122 3.010 -11.569 8.335 1.00 0.00 C ATOM 1774 O ILE A 122 4.222 -11.496 8.113 1.00 0.00 O ATOM 1775 CB ILE A 122 1.978 -9.594 9.588 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.312 -8.220 9.396 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.340 -9.416 10.281 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.435 -7.780 10.549 1.00 0.00 C ATOM 0 H ILE A 122 0.031 -10.558 8.251 1.00 0.00 H new ATOM 0 HA ILE A 122 2.625 -9.626 7.524 1.00 0.00 H new ATOM 0 HB ILE A 122 1.354 -10.221 10.225 1.00 0.00 H new ATOM 0 HG12 ILE A 122 2.090 -7.472 9.242 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.710 -8.246 8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.199 -8.913 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.793 -10.393 10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.994 -8.816 9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 122 0.007 -6.802 10.328 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.368 -8.503 10.692 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.033 -7.717 11.458 1.00 0.00 H new ATOM 1790 N ASP A 123 2.399 -12.708 8.688 1.00 0.00 N ATOM 1791 CA ASP A 123 3.137 -13.973 8.849 1.00 0.00 C ATOM 1792 C ASP A 123 3.509 -14.633 7.506 1.00 0.00 C ATOM 1793 O ASP A 123 4.487 -15.383 7.436 1.00 0.00 O ATOM 1794 CB ASP A 123 2.346 -14.956 9.745 1.00 0.00 C ATOM 1795 CG ASP A 123 0.979 -15.360 9.197 1.00 0.00 C ATOM 1796 OD1 ASP A 123 0.908 -15.822 8.038 1.00 0.00 O ATOM 1797 OD2 ASP A 123 -0.016 -15.223 9.938 1.00 0.00 O ATOM 0 H ASP A 123 1.398 -12.782 8.868 1.00 0.00 H new ATOM 0 HA ASP A 123 4.078 -13.723 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.944 -15.855 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.209 -14.502 10.726 1.00 0.00 H new ATOM 1802 N ASN A 124 2.727 -14.346 6.453 1.00 0.00 N ATOM 1803 CA ASN A 124 2.951 -14.938 5.126 1.00 0.00 C ATOM 1804 C ASN A 124 4.029 -14.223 4.297 1.00 0.00 C ATOM 1805 O ASN A 124 4.929 -14.886 3.773 1.00 0.00 O ATOM 1806 CB ASN A 124 1.639 -14.990 4.333 1.00 0.00 C ATOM 1807 CG ASN A 124 0.647 -16.012 4.873 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.029 -17.053 5.413 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.639 -15.718 4.725 1.00 0.00 N ATOM 0 H ASN A 124 1.933 -13.707 6.496 1.00 0.00 H new ATOM 0 HA ASN A 124 3.321 -15.946 5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.176 -14.003 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.861 -15.225 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.352 -16.364 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.914 -14.846 4.273 1.00 0.00 H new ATOM 1816 N MET A 125 3.948 -12.884 4.174 1.00 0.00 N ATOM 1817 CA MET A 125 4.920 -12.137 3.368 1.00 0.00 C ATOM 1818 C MET A 125 5.461 -10.905 4.104 1.00 0.00 C ATOM 1819 O MET A 125 5.331 -9.769 3.630 1.00 0.00 O ATOM 1820 CB MET A 125 4.295 -11.735 2.019 1.00 0.00 C ATOM 1821 CG MET A 125 4.072 -12.904 1.069 1.00 0.00 C ATOM 1822 SD MET A 125 3.460 -12.379 -0.544 1.00 0.00 S ATOM 1823 CE MET A 125 3.184 -13.964 -1.333 1.00 0.00 C ATOM 0 H MET A 125 3.230 -12.310 4.616 1.00 0.00 H new ATOM 0 HA MET A 125 5.769 -12.796 3.186 1.00 0.00 H new ATOM 0 HB2 MET A 125 3.340 -11.243 2.204 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.941 -11.004 1.534 1.00 0.00 H new ATOM 0 HG2 MET A 125 5.009 -13.446 0.939 1.00 0.00 H new ATOM 0 HG3 MET A 125 3.361 -13.599 1.515 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.803 -13.807 -2.342 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.123 -14.515 -1.381 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.457 -14.536 -0.756 1.00 0.00 H new ATOM 1833 N ASN A 126 6.079 -11.140 5.271 1.00 0.00 N ATOM 1834 CA ASN A 126 6.678 -10.065 6.079 1.00 0.00 C ATOM 1835 C ASN A 126 7.893 -9.454 5.357 1.00 0.00 C ATOM 1836 O ASN A 126 8.118 -8.244 5.415 1.00 0.00 O ATOM 1837 CB ASN A 126 7.098 -10.617 7.450 1.00 0.00 C ATOM 1838 CG ASN A 126 7.196 -9.543 8.520 1.00 0.00 C ATOM 1839 OD1 ASN A 126 6.239 -9.292 9.251 1.00 0.00 O ATOM 1840 ND2 ASN A 126 8.357 -8.905 8.614 1.00 0.00 N ATOM 0 H ASN A 126 6.178 -12.070 5.679 1.00 0.00 H new ATOM 0 HA ASN A 126 5.935 -9.280 6.221 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.379 -11.372 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.063 -11.115 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.482 -8.174 9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.124 -9.146 7.986 1.00 0.00 H new ATOM 1847 N GLU A 127 8.662 -10.323 4.685 1.00 0.00 N ATOM 1848 CA GLU A 127 9.846 -9.927 3.919 1.00 0.00 C ATOM 1849 C GLU A 127 9.921 -10.734 2.621 1.00 0.00 C ATOM 1850 O GLU A 127 10.661 -11.722 2.514 1.00 0.00 O ATOM 1851 CB GLU A 127 11.123 -10.108 4.755 1.00 0.00 C ATOM 1852 CG GLU A 127 11.337 -8.999 5.768 1.00 0.00 C ATOM 1853 CD GLU A 127 12.535 -9.248 6.664 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.649 -8.817 6.301 1.00 0.00 O ATOM 1855 OE2 GLU A 127 12.358 -9.873 7.732 1.00 0.00 O ATOM 0 H GLU A 127 8.476 -11.326 4.659 1.00 0.00 H new ATOM 0 HA GLU A 127 9.763 -8.870 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 127 11.075 -11.064 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.983 -10.152 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.472 -8.054 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.443 -8.897 6.383 1.00 0.00 H new ATOM 1862 N SER A 128 9.125 -10.302 1.645 1.00 0.00 N ATOM 1863 CA SER A 128 9.054 -10.959 0.337 1.00 0.00 C ATOM 1864 C SER A 128 9.398 -9.984 -0.791 1.00 0.00 C ATOM 1865 O SER A 128 9.363 -8.767 -0.600 1.00 0.00 O ATOM 1866 CB SER A 128 7.655 -11.548 0.121 1.00 0.00 C ATOM 1867 OG SER A 128 7.624 -12.401 -1.011 1.00 0.00 O ATOM 0 H SER A 128 8.513 -9.491 1.735 1.00 0.00 H new ATOM 0 HA SER A 128 9.788 -11.765 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.352 -12.105 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.934 -10.741 -0.010 1.00 0.00 H new ATOM 0 HG SER A 128 6.720 -12.763 -1.123 1.00 0.00 H new ATOM 1873 N GLU A 129 9.751 -10.535 -1.961 1.00 0.00 N ATOM 1874 CA GLU A 129 10.099 -9.727 -3.127 1.00 0.00 C ATOM 1875 C GLU A 129 8.855 -9.448 -3.982 1.00 0.00 C ATOM 1876 O GLU A 129 8.217 -10.371 -4.499 1.00 0.00 O ATOM 1877 CB GLU A 129 11.173 -10.450 -3.951 1.00 0.00 C ATOM 1878 CG GLU A 129 11.988 -9.532 -4.849 1.00 0.00 C ATOM 1879 CD GLU A 129 12.939 -10.286 -5.762 1.00 0.00 C ATOM 1880 OE1 GLU A 129 12.459 -11.073 -6.607 1.00 0.00 O ATOM 1881 OE2 GLU A 129 14.165 -10.089 -5.631 1.00 0.00 O ATOM 0 H GLU A 129 9.802 -11.541 -2.120 1.00 0.00 H new ATOM 0 HA GLU A 129 10.496 -8.769 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.849 -10.970 -3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.693 -11.211 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.310 -8.931 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.559 -8.841 -4.230 1.00 0.00 H new ATOM 1888 N LEU A 130 8.528 -8.160 -4.108 1.00 0.00 N ATOM 1889 CA LEU A 130 7.378 -7.709 -4.891 1.00 0.00 C ATOM 1890 C LEU A 130 7.806 -6.608 -5.862 1.00 0.00 C ATOM 1891 O LEU A 130 8.458 -5.640 -5.461 1.00 0.00 O ATOM 1892 CB LEU A 130 6.264 -7.207 -3.953 1.00 0.00 C ATOM 1893 CG LEU A 130 4.885 -6.988 -4.598 1.00 0.00 C ATOM 1894 CD1 LEU A 130 4.071 -8.277 -4.595 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.132 -5.881 -3.877 1.00 0.00 C ATOM 0 H LEU A 130 9.053 -7.402 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 130 6.988 -8.547 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.152 -7.923 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.588 -6.266 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 130 5.038 -6.687 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.100 -8.095 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.603 -9.044 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.927 -8.614 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.158 -5.738 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.995 -6.156 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.703 -4.954 -3.937 1.00 0.00 H new ATOM 1907 N PHE A 131 7.433 -6.771 -7.150 1.00 0.00 N ATOM 1908 CA PHE A 131 7.765 -5.807 -8.233 1.00 0.00 C ATOM 1909 C PHE A 131 9.289 -5.676 -8.458 1.00 0.00 C ATOM 1910 O PHE A 131 9.752 -4.738 -9.123 1.00 0.00 O ATOM 1911 CB PHE A 131 7.142 -4.419 -7.956 1.00 0.00 C ATOM 1912 CG PHE A 131 6.569 -3.753 -9.178 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.386 -3.044 -10.047 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.213 -3.832 -9.456 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.862 -2.430 -11.168 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.684 -3.219 -10.575 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.510 -2.516 -11.433 1.00 0.00 C ATOM 0 H PHE A 131 6.893 -7.574 -7.473 1.00 0.00 H new ATOM 0 HA PHE A 131 7.332 -6.209 -9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.354 -4.527 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.903 -3.770 -7.524 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.444 -2.971 -9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.563 -4.379 -8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.510 -1.883 -11.837 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.626 -3.289 -10.780 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.098 -2.035 -12.308 1.00 0.00 H new ATOM 1927 N GLY A 132 10.055 -6.633 -7.914 1.00 0.00 N ATOM 1928 CA GLY A 132 11.508 -6.622 -8.052 1.00 0.00 C ATOM 1929 C GLY A 132 12.221 -6.010 -6.852 1.00 0.00 C ATOM 1930 O GLY A 132 13.448 -5.870 -6.867 1.00 0.00 O ATOM 0 H GLY A 132 9.689 -7.419 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.861 -7.644 -8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.777 -6.065 -8.949 1.00 0.00 H new ATOM 1934 N ARG A 133 11.450 -5.649 -5.821 1.00 0.00 N ATOM 1935 CA ARG A 133 11.997 -5.046 -4.599 1.00 0.00 C ATOM 1936 C ARG A 133 11.552 -5.824 -3.364 1.00 0.00 C ATOM 1937 O ARG A 133 10.503 -6.472 -3.379 1.00 0.00 O ATOM 1938 CB ARG A 133 11.543 -3.587 -4.466 1.00 0.00 C ATOM 1939 CG ARG A 133 12.111 -2.648 -5.521 1.00 0.00 C ATOM 1940 CD ARG A 133 11.659 -1.215 -5.283 1.00 0.00 C ATOM 1941 NE ARG A 133 12.404 -0.570 -4.193 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.896 0.677 -4.236 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.740 1.444 -5.314 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.552 1.158 -3.189 1.00 0.00 N ATOM 0 H ARG A 133 10.437 -5.765 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 133 13.084 -5.081 -4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.455 -3.553 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.828 -3.220 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.200 -2.696 -5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.791 -2.973 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.788 -0.639 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.595 -1.206 -5.048 1.00 0.00 H new ATOM 0 HE ARG A 133 12.558 -1.110 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.239 1.086 -6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.122 2.390 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.680 0.581 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.929 2.105 -3.215 1.00 0.00 H new ATOM 1958 N THR A 134 12.353 -5.746 -2.292 1.00 0.00 N ATOM 1959 CA THR A 134 12.039 -6.424 -1.029 1.00 0.00 C ATOM 1960 C THR A 134 11.073 -5.564 -0.207 1.00 0.00 C ATOM 1961 O THR A 134 11.282 -4.355 -0.068 1.00 0.00 O ATOM 1962 CB THR A 134 13.315 -6.711 -0.196 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.437 -6.924 -1.063 1.00 0.00 O ATOM 1964 CG2 THR A 134 13.133 -7.939 0.691 1.00 0.00 C ATOM 0 H THR A 134 13.226 -5.218 -2.276 1.00 0.00 H new ATOM 0 HA THR A 134 11.575 -7.380 -1.272 1.00 0.00 H new ATOM 0 HB THR A 134 13.495 -5.843 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.237 -7.102 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.045 -8.114 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.302 -7.773 1.376 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.922 -8.809 0.069 1.00 0.00 H new ATOM 1972 N ILE A 135 10.024 -6.195 0.333 1.00 0.00 N ATOM 1973 CA ILE A 135 9.018 -5.473 1.119 1.00 0.00 C ATOM 1974 C ILE A 135 8.955 -5.964 2.567 1.00 0.00 C ATOM 1975 O ILE A 135 9.279 -7.119 2.862 1.00 0.00 O ATOM 1976 CB ILE A 135 7.593 -5.534 0.476 1.00 0.00 C ATOM 1977 CG1 ILE A 135 7.132 -6.986 0.216 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.564 -4.724 -0.820 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.679 -7.247 0.567 1.00 0.00 C ATOM 0 H ILE A 135 9.851 -7.196 0.241 1.00 0.00 H new ATOM 0 HA ILE A 135 9.343 -4.433 1.120 1.00 0.00 H new ATOM 0 HB ILE A 135 6.894 -5.097 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.289 -7.223 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.761 -7.664 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.567 -4.774 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.814 -3.685 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.290 -5.134 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.435 -8.288 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.518 -7.045 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 135 5.038 -6.596 -0.028 1.00 0.00 H new ATOM 1991 N ARG A 136 8.532 -5.060 3.452 1.00 0.00 N ATOM 1992 CA ARG A 136 8.394 -5.342 4.876 1.00 0.00 C ATOM 1993 C ARG A 136 6.974 -5.001 5.321 1.00 0.00 C ATOM 1994 O ARG A 136 6.470 -3.916 5.012 1.00 0.00 O ATOM 1995 CB ARG A 136 9.417 -4.510 5.672 1.00 0.00 C ATOM 1996 CG ARG A 136 9.553 -4.899 7.144 1.00 0.00 C ATOM 1997 CD ARG A 136 10.868 -5.605 7.415 1.00 0.00 C ATOM 1998 NE ARG A 136 10.977 -6.053 8.808 1.00 0.00 N ATOM 1999 CZ ARG A 136 12.133 -6.218 9.467 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.303 -5.979 8.878 1.00 0.00 N ATOM 2001 NH2 ARG A 136 12.114 -6.629 10.728 1.00 0.00 N ATOM 0 H ARG A 136 8.275 -4.107 3.196 1.00 0.00 H new ATOM 0 HA ARG A 136 8.583 -6.399 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.392 -4.605 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.134 -3.459 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.484 -4.006 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.725 -5.549 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.962 -6.464 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.694 -4.932 7.185 1.00 0.00 H new ATOM 0 HE ARG A 136 10.112 -6.253 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.331 -5.664 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.171 -6.111 9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.224 -6.817 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 136 12.989 -6.757 11.236 1.00 0.00 H new ATOM 2015 N VAL A 137 6.334 -5.926 6.042 1.00 0.00 N ATOM 2016 CA VAL A 137 4.973 -5.703 6.529 1.00 0.00 C ATOM 2017 C VAL A 137 4.903 -5.942 8.044 1.00 0.00 C ATOM 2018 O VAL A 137 5.471 -6.909 8.556 1.00 0.00 O ATOM 2019 CB VAL A 137 3.889 -6.549 5.752 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.374 -6.993 4.374 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.405 -7.755 6.531 1.00 0.00 C ATOM 0 H VAL A 137 6.734 -6.829 6.299 1.00 0.00 H new ATOM 0 HA VAL A 137 4.728 -4.660 6.329 1.00 0.00 H new ATOM 0 HB VAL A 137 3.046 -5.870 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.592 -7.571 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.611 -6.116 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.266 -7.610 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.662 -8.294 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.247 -8.413 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.957 -7.427 7.469 1.00 0.00 H new ATOM 2031 N ASN A 138 4.217 -5.031 8.743 1.00 0.00 N ATOM 2032 CA ASN A 138 4.050 -5.098 10.203 1.00 0.00 C ATOM 2033 C ASN A 138 2.691 -4.522 10.611 1.00 0.00 C ATOM 2034 O ASN A 138 1.980 -3.959 9.777 1.00 0.00 O ATOM 2035 CB ASN A 138 5.179 -4.330 10.920 1.00 0.00 C ATOM 2036 CG ASN A 138 6.539 -4.991 10.772 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.419 -4.477 10.082 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.720 -6.135 11.425 1.00 0.00 N ATOM 0 H ASN A 138 3.761 -4.226 8.314 1.00 0.00 H new ATOM 0 HA ASN A 138 4.098 -6.146 10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.230 -3.316 10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.936 -4.245 11.979 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.615 -6.621 11.365 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.964 -6.527 11.986 1.00 0.00 H new ATOM 2045 N LEU A 139 2.327 -4.672 11.896 1.00 0.00 N ATOM 2046 CA LEU A 139 1.055 -4.149 12.417 1.00 0.00 C ATOM 2047 C LEU A 139 1.099 -2.623 12.534 1.00 0.00 C ATOM 2048 O LEU A 139 2.040 -2.065 13.108 1.00 0.00 O ATOM 2049 CB LEU A 139 0.745 -4.761 13.788 1.00 0.00 C ATOM 2050 CG LEU A 139 0.507 -6.274 13.799 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.957 -6.864 15.121 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -0.962 -6.592 13.552 1.00 0.00 C ATOM 0 H LEU A 139 2.897 -5.152 12.593 1.00 0.00 H new ATOM 0 HA LEU A 139 0.268 -4.424 11.715 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.572 -4.537 14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.139 -4.269 14.194 1.00 0.00 H new ATOM 0 HG LEU A 139 1.093 -6.720 12.995 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.783 -7.940 15.117 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.020 -6.669 15.264 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.392 -6.408 15.934 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.107 -7.672 13.564 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.570 -6.135 14.333 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.262 -6.196 12.582 1.00 0.00 H new ATOM 2064 N ALA A 140 0.075 -1.962 11.984 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.015 -0.502 12.010 1.00 0.00 C ATOM 2066 C ALA A 140 -0.917 -0.023 13.143 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.523 0.018 10.672 1.00 0.00 C ATOM 0 H ALA A 140 -0.706 -2.420 11.514 1.00 0.00 H new ATOM 0 HA ALA A 140 0.985 -0.106 12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.585 1.106 10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.163 -0.283 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.511 -0.396 10.472 1.00 0.00 H new