USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 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 -29:sc= 0.405 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.43! K(o=-2.4!,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -147:sc= -1.76! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-7.4!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 125 MET CE :methyl 161:sc= -1.79 (180deg=-3.22!) USER MOD Single : A 126 ASN : amide:sc=-0.00478 X(o=-0.0048,f=-0.28) USER MOD Single : A 128 SER OG : rot -160:sc= -1.32 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.508 -3.882 12.454 1.00 0.00 N ATOM 883 CA ARG A 64 -6.602 -4.552 11.151 1.00 0.00 C ATOM 884 C ARG A 64 -5.757 -3.830 10.081 1.00 0.00 C ATOM 885 O ARG A 64 -5.829 -4.163 8.892 1.00 0.00 O ATOM 886 CB ARG A 64 -8.071 -4.626 10.707 1.00 0.00 C ATOM 887 CG ARG A 64 -8.966 -5.433 11.639 1.00 0.00 C ATOM 888 CD ARG A 64 -10.374 -5.568 11.084 1.00 0.00 C ATOM 889 NE ARG A 64 -11.265 -6.274 12.011 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.222 -5.690 12.748 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.437 -4.378 12.686 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.971 -6.432 13.554 1.00 0.00 N ATOM 0 HA ARG A 64 -6.205 -5.561 11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.466 -3.613 10.629 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.116 -5.064 9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.537 -6.424 11.789 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.004 -4.951 12.616 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.778 -4.577 10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.340 -6.104 10.135 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.148 -7.283 12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.869 -3.797 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.170 -3.954 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.817 -7.439 13.610 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.701 -5.996 14.118 1.00 0.00 H new ATOM 906 N VAL A 65 -4.945 -2.856 10.520 1.00 0.00 N ATOM 907 CA VAL A 65 -4.094 -2.065 9.614 1.00 0.00 C ATOM 908 C VAL A 65 -2.644 -2.562 9.674 1.00 0.00 C ATOM 909 O VAL A 65 -2.109 -2.792 10.762 1.00 0.00 O ATOM 910 CB VAL A 65 -4.138 -0.545 9.965 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.574 0.307 8.828 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.557 -0.092 10.299 1.00 0.00 C ATOM 0 H VAL A 65 -4.859 -2.595 11.502 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.484 -2.195 8.604 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.512 -0.404 10.846 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.620 1.360 9.105 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.538 0.025 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.162 0.144 7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.553 0.971 10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.206 -0.268 9.441 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.927 -0.656 11.156 1.00 0.00 H new ATOM 922 N LEU A 66 -2.029 -2.725 8.495 1.00 0.00 N ATOM 923 CA LEU A 66 -0.641 -3.204 8.393 1.00 0.00 C ATOM 924 C LEU A 66 0.223 -2.217 7.612 1.00 0.00 C ATOM 925 O LEU A 66 -0.286 -1.442 6.798 1.00 0.00 O ATOM 926 CB LEU A 66 -0.558 -4.597 7.722 1.00 0.00 C ATOM 927 CG LEU A 66 -1.824 -5.470 7.735 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.667 -6.617 6.748 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.116 -6.010 9.133 1.00 0.00 C ATOM 0 H LEU A 66 -2.471 -2.532 7.596 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.264 -3.288 9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.260 -4.452 6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.241 -5.157 8.208 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.669 -4.849 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.566 -7.233 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.515 -6.216 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.807 -7.224 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.017 -6.623 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.276 -6.616 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.264 -5.178 9.821 1.00 0.00 H new ATOM 941 N TYR A 67 1.531 -2.257 7.872 1.00 0.00 N ATOM 942 CA TYR A 67 2.499 -1.411 7.180 1.00 0.00 C ATOM 943 C TYR A 67 3.221 -2.243 6.125 1.00 0.00 C ATOM 944 O TYR A 67 3.695 -3.337 6.420 1.00 0.00 O ATOM 945 CB TYR A 67 3.509 -0.811 8.184 1.00 0.00 C ATOM 946 CG TYR A 67 4.596 0.053 7.557 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.414 1.418 7.373 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.801 -0.508 7.142 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.400 2.199 6.797 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.791 0.265 6.565 1.00 0.00 C ATOM 951 CZ TYR A 67 6.586 1.617 6.396 1.00 0.00 C ATOM 952 OH TYR A 67 7.567 2.392 5.822 1.00 0.00 O ATOM 0 H TYR A 67 1.946 -2.877 8.568 1.00 0.00 H new ATOM 0 HA TYR A 67 1.979 -0.585 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.963 -0.212 8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.983 -1.625 8.732 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.487 1.877 7.685 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.965 -1.567 7.273 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.243 3.259 6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.719 -0.188 6.249 1.00 0.00 H new ATOM 0 HH TYR A 67 7.155 3.150 5.358 1.00 0.00 H new ATOM 962 N VAL A 68 3.291 -1.716 4.904 1.00 0.00 N ATOM 963 CA VAL A 68 3.969 -2.400 3.802 1.00 0.00 C ATOM 964 C VAL A 68 5.011 -1.476 3.173 1.00 0.00 C ATOM 965 O VAL A 68 4.682 -0.363 2.751 1.00 0.00 O ATOM 966 CB VAL A 68 2.973 -2.920 2.715 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.176 -4.107 3.241 1.00 0.00 C ATOM 968 CG2 VAL A 68 2.016 -1.832 2.226 1.00 0.00 C ATOM 0 H VAL A 68 2.885 -0.815 4.651 1.00 0.00 H new ATOM 0 HA VAL A 68 4.465 -3.276 4.221 1.00 0.00 H new ATOM 0 HB VAL A 68 3.578 -3.233 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.489 -4.454 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.859 -4.914 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.610 -3.804 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.347 -2.248 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.430 -1.459 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.588 -1.013 1.791 1.00 0.00 H new ATOM 978 N GLY A 69 6.262 -1.945 3.115 1.00 0.00 N ATOM 979 CA GLY A 69 7.333 -1.141 2.551 1.00 0.00 C ATOM 980 C GLY A 69 8.250 -1.924 1.639 1.00 0.00 C ATOM 981 O GLY A 69 8.377 -3.144 1.771 1.00 0.00 O ATOM 0 H GLY A 69 6.548 -2.865 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.900 -0.310 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.920 -0.709 3.362 1.00 0.00 H new ATOM 985 N GLY A 70 8.886 -1.206 0.712 1.00 0.00 N ATOM 986 CA GLY A 70 9.808 -1.822 -0.229 1.00 0.00 C ATOM 987 C GLY A 70 9.207 -1.973 -1.613 1.00 0.00 C ATOM 988 O GLY A 70 9.675 -2.790 -2.410 1.00 0.00 O ATOM 0 H GLY A 70 8.776 -0.198 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.714 -1.219 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.103 -2.802 0.145 1.00 0.00 H new ATOM 992 N LEU A 71 8.165 -1.177 -1.891 1.00 0.00 N ATOM 993 CA LEU A 71 7.478 -1.210 -3.184 1.00 0.00 C ATOM 994 C LEU A 71 8.126 -0.233 -4.164 1.00 0.00 C ATOM 995 O LEU A 71 8.833 0.695 -3.758 1.00 0.00 O ATOM 996 CB LEU A 71 5.975 -0.873 -3.054 1.00 0.00 C ATOM 997 CG LEU A 71 5.272 -1.312 -1.764 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.374 -0.227 -0.717 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.816 -1.632 -2.043 1.00 0.00 C ATOM 0 H LEU A 71 7.780 -0.500 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 71 7.570 -2.229 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.860 0.207 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.452 -1.327 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 71 5.763 -2.209 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.871 -0.552 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.424 -0.028 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.901 0.682 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.328 -1.942 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.318 -0.746 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.754 -2.438 -2.774 1.00 0.00 H new ATOM 1011 N ALA A 72 7.868 -0.459 -5.450 1.00 0.00 N ATOM 1012 CA ALA A 72 8.408 0.378 -6.523 1.00 0.00 C ATOM 1013 C ALA A 72 7.473 1.549 -6.827 1.00 0.00 C ATOM 1014 O ALA A 72 6.272 1.471 -6.570 1.00 0.00 O ATOM 1015 CB ALA A 72 8.642 -0.458 -7.773 1.00 0.00 C ATOM 0 H ALA A 72 7.280 -1.225 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 72 9.362 0.788 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.044 0.175 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.352 -1.255 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.698 -0.894 -8.101 1.00 0.00 H new ATOM 1021 N GLU A 73 8.035 2.630 -7.383 1.00 0.00 N ATOM 1022 CA GLU A 73 7.267 3.844 -7.733 1.00 0.00 C ATOM 1023 C GLU A 73 6.185 3.555 -8.775 1.00 0.00 C ATOM 1024 O GLU A 73 5.174 4.259 -8.843 1.00 0.00 O ATOM 1025 CB GLU A 73 8.208 4.932 -8.246 1.00 0.00 C ATOM 1026 CG GLU A 73 9.150 5.441 -7.177 1.00 0.00 C ATOM 1027 CD GLU A 73 10.241 6.339 -7.728 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.180 5.811 -8.359 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.155 7.569 -7.530 1.00 0.00 O ATOM 0 H GLU A 73 9.029 2.693 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 73 6.770 4.190 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.790 4.540 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.619 5.764 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.579 5.990 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.608 4.592 -6.669 1.00 0.00 H new ATOM 1036 N GLU A 74 6.419 2.512 -9.581 1.00 0.00 N ATOM 1037 CA GLU A 74 5.479 2.084 -10.623 1.00 0.00 C ATOM 1038 C GLU A 74 4.244 1.387 -10.027 1.00 0.00 C ATOM 1039 O GLU A 74 3.310 1.043 -10.762 1.00 0.00 O ATOM 1040 CB GLU A 74 6.179 1.151 -11.622 1.00 0.00 C ATOM 1041 CG GLU A 74 7.266 1.827 -12.448 1.00 0.00 C ATOM 1042 CD GLU A 74 7.879 0.898 -13.479 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.677 0.021 -13.087 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.561 1.048 -14.676 1.00 0.00 O ATOM 0 H GLU A 74 7.264 1.942 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 74 5.137 2.979 -11.143 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.619 0.316 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.432 0.733 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.845 2.697 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.048 2.192 -11.783 1.00 0.00 H new ATOM 1051 N VAL A 75 4.238 1.189 -8.692 1.00 0.00 N ATOM 1052 CA VAL A 75 3.106 0.525 -8.018 1.00 0.00 C ATOM 1053 C VAL A 75 2.058 1.553 -7.574 1.00 0.00 C ATOM 1054 O VAL A 75 2.405 2.658 -7.146 1.00 0.00 O ATOM 1055 CB VAL A 75 3.538 -0.379 -6.804 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.810 -1.164 -7.110 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.700 0.410 -5.504 1.00 0.00 C ATOM 0 H VAL A 75 4.993 1.475 -8.069 1.00 0.00 H new ATOM 0 HA VAL A 75 2.667 -0.144 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 75 2.722 -1.086 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.076 -1.776 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.642 -1.807 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.622 -0.470 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.999 -0.266 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.464 1.176 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.753 0.883 -5.245 1.00 0.00 H new ATOM 1067 N ASP A 76 0.784 1.173 -7.687 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.331 2.043 -7.304 1.00 0.00 C ATOM 1069 C ASP A 76 -1.284 1.315 -6.339 1.00 0.00 C ATOM 1070 O ASP A 76 -0.993 0.197 -5.902 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.072 2.560 -8.564 1.00 0.00 C ATOM 1072 CG ASP A 76 -1.496 1.460 -9.533 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -2.120 0.476 -9.084 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -1.202 1.590 -10.741 1.00 0.00 O ATOM 0 H ASP A 76 0.497 0.261 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 76 0.066 2.910 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.957 3.114 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.426 3.263 -9.090 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.421 1.957 -6.008 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.424 1.383 -5.091 1.00 0.00 C ATOM 1081 C ASP A 77 -3.989 0.057 -5.615 1.00 0.00 C ATOM 1082 O ASP A 77 -4.324 -0.838 -4.834 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.571 2.376 -4.870 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.148 3.590 -4.063 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.712 4.587 -4.675 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.258 3.544 -2.819 1.00 0.00 O ATOM 0 H ASP A 77 -2.668 2.880 -6.365 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.920 1.184 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.954 2.703 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.389 1.871 -4.357 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.085 -0.046 -6.948 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.611 -1.239 -7.633 1.00 0.00 C ATOM 1093 C LYS A 78 -3.653 -2.419 -7.479 1.00 0.00 C ATOM 1094 O LYS A 78 -4.074 -3.561 -7.273 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.813 -0.934 -9.121 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.799 0.190 -9.392 1.00 0.00 C ATOM 1097 CD LYS A 78 -5.892 0.492 -10.873 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.740 1.725 -11.129 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.625 2.200 -12.535 1.00 0.00 N ATOM 0 H LYS A 78 -3.799 0.698 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.566 -1.504 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.851 -0.674 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.160 -1.837 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.783 -0.086 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.490 1.086 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.892 0.644 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.322 -0.363 -11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.783 1.500 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.434 2.522 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.220 3.043 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.634 2.440 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.941 1.449 -13.182 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.354 -2.105 -7.584 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.270 -3.071 -7.466 1.00 0.00 C ATOM 1115 C VAL A 79 -1.189 -3.646 -6.038 1.00 0.00 C ATOM 1116 O VAL A 79 -1.111 -4.867 -5.857 1.00 0.00 O ATOM 1117 CB VAL A 79 0.080 -2.392 -7.842 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.219 -3.381 -7.826 1.00 0.00 C ATOM 1119 CG2 VAL A 79 0.009 -1.712 -9.207 1.00 0.00 C ATOM 0 H VAL A 79 -2.029 -1.154 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.469 -3.895 -8.151 1.00 0.00 H new ATOM 0 HB VAL A 79 0.267 -1.630 -7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.146 -2.873 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.315 -3.810 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.021 -4.176 -8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.970 -1.250 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.226 -2.453 -9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.767 -0.947 -9.192 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.226 -2.750 -5.036 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.150 -3.142 -3.623 1.00 0.00 C ATOM 1131 C LEU A 80 -2.393 -3.926 -3.179 1.00 0.00 C ATOM 1132 O LEU A 80 -2.287 -4.884 -2.407 1.00 0.00 O ATOM 1133 CB LEU A 80 -0.975 -1.900 -2.741 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.155 -2.112 -1.458 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.535 -0.822 -1.043 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.037 -2.631 -0.326 1.00 0.00 C ATOM 0 H LEU A 80 -1.309 -1.744 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.286 -3.797 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.497 -1.120 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.962 -1.530 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 80 0.608 -2.862 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.110 -0.993 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.204 -0.495 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.214 -0.052 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.433 -2.773 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.827 -1.909 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.481 -3.582 -0.618 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.565 -3.509 -3.682 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.848 -4.151 -3.358 1.00 0.00 C ATOM 1150 C HIS A 81 -4.938 -5.568 -3.955 1.00 0.00 C ATOM 1151 O HIS A 81 -5.284 -6.523 -3.257 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.002 -3.275 -3.873 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.328 -3.547 -3.222 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.781 -2.857 -2.117 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.303 -4.435 -3.533 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -8.976 -3.308 -1.778 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.314 -4.265 -2.621 1.00 0.00 N ATOM 0 H HIS A 81 -3.650 -2.720 -4.323 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.921 -4.250 -2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.743 -2.227 -3.718 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.102 -3.423 -4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.287 -5.144 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.574 -2.954 -0.952 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.186 -4.793 -2.598 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.606 -5.682 -5.251 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.648 -6.957 -5.981 1.00 0.00 C ATOM 1168 C ALA A 82 -3.551 -7.945 -5.552 1.00 0.00 C ATOM 1169 O ALA A 82 -3.680 -9.151 -5.783 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.557 -6.699 -7.478 1.00 0.00 C ATOM 0 H ALA A 82 -4.301 -4.893 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.601 -7.425 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.589 -7.648 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.396 -6.077 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.622 -6.187 -7.703 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.477 -7.428 -4.930 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.346 -8.256 -4.497 1.00 0.00 C ATOM 1178 C ALA A 83 -1.605 -8.885 -3.134 1.00 0.00 C ATOM 1179 O ALA A 83 -1.177 -10.010 -2.863 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.074 -7.421 -4.457 1.00 0.00 C ATOM 0 H ALA A 83 -2.372 -6.436 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.225 -9.064 -5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.760 -8.044 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.132 -7.024 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.202 -6.596 -3.757 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.311 -8.134 -2.293 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.643 -8.563 -0.941 1.00 0.00 C ATOM 1188 C PHE A 84 -4.085 -9.084 -0.835 1.00 0.00 C ATOM 1189 O PHE A 84 -4.517 -9.509 0.243 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.433 -7.389 0.013 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.988 -7.045 0.257 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.317 -6.170 -0.584 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.304 -7.593 1.330 1.00 0.00 C ATOM 1194 CE1 PHE A 84 1.008 -5.850 -0.359 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.022 -7.276 1.559 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.679 -6.404 0.713 1.00 0.00 C ATOM 0 H PHE A 84 -2.669 -7.209 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.988 -9.392 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.941 -6.513 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.906 -7.621 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.836 -5.734 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.812 -8.275 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.519 -5.167 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.544 -7.710 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.715 -6.156 0.890 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.822 -9.061 -1.962 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.219 -9.524 -2.003 1.00 0.00 C ATOM 1208 C ILE A 85 -6.378 -11.072 -1.834 1.00 0.00 C ATOM 1209 O ILE A 85 -7.392 -11.495 -1.272 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.962 -8.990 -3.285 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.492 -9.062 -3.118 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.540 -9.712 -4.566 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.093 -7.892 -2.360 1.00 0.00 C ATOM 0 H ILE A 85 -4.470 -8.725 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.704 -9.091 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.663 -7.947 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.951 -9.115 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.746 -9.986 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.087 -9.299 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.470 -9.577 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.762 -10.775 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.173 -8.021 -2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.665 -7.849 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.873 -6.965 -2.889 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.412 -11.949 -2.298 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.545 -13.421 -2.139 1.00 0.00 C ATOM 1227 C PRO A 86 -5.670 -13.880 -0.677 1.00 0.00 C ATOM 1228 O PRO A 86 -6.194 -14.966 -0.410 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.251 -13.977 -2.746 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.775 -12.914 -3.670 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.154 -11.616 -3.020 1.00 0.00 C ATOM 0 HA PRO A 86 -6.458 -13.774 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.512 -14.189 -1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.433 -14.911 -3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.697 -12.978 -3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.239 -13.011 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.379 -11.266 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.310 -10.828 -3.756 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.187 -13.046 0.259 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.230 -13.362 1.699 1.00 0.00 C ATOM 1241 C PHE A 87 -6.618 -13.122 2.302 1.00 0.00 C ATOM 1242 O PHE A 87 -7.017 -13.816 3.243 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.194 -12.525 2.467 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.783 -12.693 1.970 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.029 -13.800 2.332 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.216 -11.744 1.131 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.739 -13.959 1.866 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.925 -11.898 0.666 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.186 -13.007 1.032 1.00 0.00 C ATOM 0 H PHE A 87 -4.761 -12.145 0.044 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.995 -14.422 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.470 -11.473 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.232 -12.797 3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.456 -14.546 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.790 -10.877 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.163 -14.826 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.493 -11.152 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.823 -13.129 0.666 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.342 -12.141 1.751 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.673 -11.815 2.242 1.00 0.00 C ATOM 1261 C GLY A 88 -9.207 -10.519 1.665 1.00 0.00 C ATOM 1262 O GLY A 88 -8.703 -10.028 0.651 1.00 0.00 O ATOM 0 H GLY A 88 -7.026 -11.566 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.356 -12.627 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.647 -11.741 3.329 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.238 -9.972 2.321 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.873 -8.720 1.893 1.00 0.00 C ATOM 1268 C ASP A 89 -10.102 -7.496 2.389 1.00 0.00 C ATOM 1269 O ASP A 89 -9.712 -7.430 3.558 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.317 -8.656 2.405 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.241 -9.658 1.727 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.139 -9.832 0.492 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.070 -10.269 2.434 1.00 0.00 O ATOM 0 H ASP A 89 -10.653 -10.382 3.158 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.867 -8.707 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.322 -8.837 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.706 -7.650 2.249 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.894 -6.533 1.485 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.185 -5.292 1.809 1.00 0.00 C ATOM 1280 C ILE A 90 -10.149 -4.112 1.691 1.00 0.00 C ATOM 1281 O ILE A 90 -10.967 -4.062 0.766 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.938 -5.062 0.898 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.025 -6.301 0.909 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.145 -3.829 1.356 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.232 -6.494 -0.369 1.00 0.00 C ATOM 0 H ILE A 90 -10.209 -6.591 0.517 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.818 -5.376 2.832 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.293 -4.891 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.332 -6.221 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.635 -7.187 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.281 -3.690 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.783 -2.947 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.807 -3.974 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.614 -7.387 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.917 -6.607 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.594 -5.626 -0.536 1.00 0.00 H new ATOM 1297 N THR A 91 -10.039 -3.171 2.632 1.00 0.00 N ATOM 1298 CA THR A 91 -10.906 -1.993 2.659 1.00 0.00 C ATOM 1299 C THR A 91 -10.323 -0.816 1.868 1.00 0.00 C ATOM 1300 O THR A 91 -10.925 -0.385 0.878 1.00 0.00 O ATOM 1301 CB THR A 91 -11.213 -1.546 4.109 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.111 -1.853 4.969 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.470 -2.227 4.629 1.00 0.00 C ATOM 0 H THR A 91 -9.355 -3.204 3.388 1.00 0.00 H new ATOM 0 HA THR A 91 -11.836 -2.294 2.176 1.00 0.00 H new ATOM 0 HB THR A 91 -11.374 -0.468 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.445 -2.072 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.666 -1.898 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.316 -1.964 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.330 -3.308 4.617 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.156 -0.296 2.297 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.522 0.852 1.623 1.00 0.00 C ATOM 1313 C ASP A 92 -6.993 0.797 1.670 1.00 0.00 C ATOM 1314 O ASP A 92 -6.408 0.207 2.585 1.00 0.00 O ATOM 1315 CB ASP A 92 -8.988 2.172 2.267 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.451 2.494 1.998 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.906 2.310 0.847 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.143 2.933 2.941 1.00 0.00 O ATOM 0 H ASP A 92 -8.637 -0.650 3.101 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.829 0.803 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.828 2.118 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.370 2.988 1.893 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.364 1.425 0.664 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.901 1.525 0.570 1.00 0.00 C ATOM 1325 C ILE A 93 -4.523 3.008 0.624 1.00 0.00 C ATOM 1326 O ILE A 93 -4.999 3.796 -0.198 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.327 0.884 -0.748 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.828 -0.572 -0.993 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.794 0.914 -0.762 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.803 -1.501 0.217 1.00 0.00 C ATOM 0 H ILE A 93 -6.856 1.877 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.468 0.969 1.402 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.708 1.500 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.850 -0.525 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.219 -1.017 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.430 0.464 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.450 1.946 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.411 0.353 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.173 -2.485 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.781 -1.591 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.437 -1.092 1.003 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.673 3.382 1.587 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.259 4.780 1.735 1.00 0.00 C ATOM 1344 C GLN A 94 -1.743 4.943 1.595 1.00 0.00 C ATOM 1345 O GLN A 94 -0.968 4.337 2.341 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.737 5.334 3.086 1.00 0.00 C ATOM 1347 CG GLN A 94 -4.015 6.836 3.079 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.401 7.176 2.557 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.409 6.858 3.188 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.455 7.822 1.399 1.00 0.00 N ATOM 0 H GLN A 94 -3.263 2.743 2.268 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.723 5.350 0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.645 4.808 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.983 5.118 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.907 7.225 4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.267 7.336 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.593 8.066 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.358 8.075 0.998 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.343 5.769 0.621 1.00 0.00 N ATOM 1360 CA ILE A 95 0.072 6.054 0.352 1.00 0.00 C ATOM 1361 C ILE A 95 0.307 7.580 0.325 1.00 0.00 C ATOM 1362 O ILE A 95 -0.259 8.260 -0.537 1.00 0.00 O ATOM 1363 CB ILE A 95 0.561 5.439 -1.000 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.103 4.085 -1.279 1.00 0.00 C ATOM 1365 CG2 ILE A 95 2.080 5.274 -1.005 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.323 4.179 -2.163 1.00 0.00 C ATOM 0 H ILE A 95 -1.988 6.257 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 95 0.646 5.593 1.156 1.00 0.00 H new ATOM 0 HB ILE A 95 0.272 6.133 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.625 3.423 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.386 3.627 -0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.396 4.845 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.552 6.247 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.377 4.612 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.739 3.183 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.070 4.814 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.043 4.607 -3.125 1.00 0.00 H new ATOM 1378 N PRO A 96 1.132 8.157 1.263 1.00 0.00 N ATOM 1379 CA PRO A 96 1.416 9.613 1.279 1.00 0.00 C ATOM 1380 C PRO A 96 2.051 10.102 -0.029 1.00 0.00 C ATOM 1381 O PRO A 96 3.083 9.575 -0.464 1.00 0.00 O ATOM 1382 CB PRO A 96 2.399 9.785 2.445 1.00 0.00 C ATOM 1383 CG PRO A 96 2.185 8.593 3.310 1.00 0.00 C ATOM 1384 CD PRO A 96 1.824 7.468 2.381 1.00 0.00 C ATOM 0 HA PRO A 96 0.502 10.196 1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.428 9.835 2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.206 10.708 2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.085 8.357 3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.389 8.773 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.708 6.931 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.176 6.738 2.866 1.00 0.00 H new ATOM 1392 N LEU A 97 1.419 11.102 -0.650 1.00 0.00 N ATOM 1393 CA LEU A 97 1.898 11.660 -1.915 1.00 0.00 C ATOM 1394 C LEU A 97 2.033 13.181 -1.828 1.00 0.00 C ATOM 1395 O LEU A 97 1.137 13.860 -1.319 1.00 0.00 O ATOM 1396 CB LEU A 97 0.933 11.281 -3.046 1.00 0.00 C ATOM 1397 CG LEU A 97 1.534 11.259 -4.454 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.966 9.848 -4.826 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.534 11.798 -5.466 1.00 0.00 C ATOM 0 H LEU A 97 0.571 11.542 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 97 2.884 11.244 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.521 10.295 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.100 11.983 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 97 2.415 11.901 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.391 9.850 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.715 9.498 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.102 9.184 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.976 11.776 -6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.364 11.181 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.272 12.824 -5.208 1.00 0.00 H new ATOM 1411 N ASP A 98 3.161 13.701 -2.330 1.00 0.00 N ATOM 1412 CA ASP A 98 3.425 15.146 -2.336 1.00 0.00 C ATOM 1413 C ASP A 98 2.882 15.782 -3.612 1.00 0.00 C ATOM 1414 O ASP A 98 2.929 15.170 -4.678 1.00 0.00 O ATOM 1415 CB ASP A 98 4.930 15.438 -2.214 1.00 0.00 C ATOM 1416 CG ASP A 98 5.542 14.926 -0.919 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.940 15.142 0.157 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.625 14.307 -0.981 1.00 0.00 O ATOM 0 H ASP A 98 3.908 13.140 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 98 2.918 15.578 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.450 14.984 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.090 16.514 -2.282 1.00 0.00 H new ATOM 1423 N TYR A 99 2.355 17.004 -3.491 1.00 0.00 N ATOM 1424 CA TYR A 99 1.791 17.746 -4.634 1.00 0.00 C ATOM 1425 C TYR A 99 2.846 18.098 -5.692 1.00 0.00 C ATOM 1426 O TYR A 99 2.553 18.115 -6.891 1.00 0.00 O ATOM 1427 CB TYR A 99 1.116 19.032 -4.146 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.120 18.801 -3.301 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.322 18.438 -3.891 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.084 18.949 -1.920 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.456 18.228 -3.130 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.212 18.740 -1.152 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.397 18.379 -1.761 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.523 18.172 -1.000 1.00 0.00 O ATOM 0 H TYR A 99 2.305 17.508 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 99 1.060 17.089 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.836 19.610 -3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.844 19.637 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.372 18.318 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.841 19.232 -1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.384 17.947 -3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.167 18.858 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.310 18.318 -0.055 1.00 0.00 H new ATOM 1444 N GLU A 100 4.067 18.376 -5.224 1.00 0.00 N ATOM 1445 CA GLU A 100 5.193 18.762 -6.088 1.00 0.00 C ATOM 1446 C GLU A 100 5.739 17.590 -6.934 1.00 0.00 C ATOM 1447 O GLU A 100 5.920 17.737 -8.146 1.00 0.00 O ATOM 1448 CB GLU A 100 6.312 19.360 -5.213 1.00 0.00 C ATOM 1449 CG GLU A 100 7.393 20.115 -5.985 1.00 0.00 C ATOM 1450 CD GLU A 100 8.541 20.565 -5.099 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.243 19.693 -4.541 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.741 21.790 -4.964 1.00 0.00 O ATOM 0 H GLU A 100 4.305 18.340 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 100 4.826 19.502 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.863 20.038 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.783 18.555 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.781 19.476 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.948 20.986 -6.467 1.00 0.00 H new ATOM 1459 N THR A 101 5.992 16.443 -6.291 1.00 0.00 N ATOM 1460 CA THR A 101 6.546 15.268 -6.984 1.00 0.00 C ATOM 1461 C THR A 101 5.481 14.270 -7.422 1.00 0.00 C ATOM 1462 O THR A 101 5.666 13.573 -8.421 1.00 0.00 O ATOM 1463 CB THR A 101 7.577 14.534 -6.099 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.021 14.280 -4.802 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.861 15.342 -5.957 1.00 0.00 C ATOM 0 H THR A 101 5.823 16.302 -5.295 1.00 0.00 H new ATOM 0 HA THR A 101 7.028 15.661 -7.879 1.00 0.00 H new ATOM 0 HB THR A 101 7.820 13.588 -6.584 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.681 13.813 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.566 14.798 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.301 15.502 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.636 16.305 -5.500 1.00 0.00 H new ATOM 1473 N GLU A 102 4.348 14.221 -6.694 1.00 0.00 N ATOM 1474 CA GLU A 102 3.233 13.280 -6.984 1.00 0.00 C ATOM 1475 C GLU A 102 3.716 11.812 -6.991 1.00 0.00 C ATOM 1476 O GLU A 102 3.097 10.938 -7.612 1.00 0.00 O ATOM 1477 CB GLU A 102 2.538 13.631 -8.320 1.00 0.00 C ATOM 1478 CG GLU A 102 1.782 14.951 -8.296 1.00 0.00 C ATOM 1479 CD GLU A 102 1.056 15.232 -9.597 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.727 15.604 -10.583 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.182 15.078 -9.631 1.00 0.00 O ATOM 0 H GLU A 102 4.174 14.826 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 102 2.503 13.388 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.289 13.668 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.844 12.831 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.062 14.938 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.481 15.762 -8.092 1.00 0.00 H new ATOM 1488 N LYS A 103 4.820 11.558 -6.272 1.00 0.00 N ATOM 1489 CA LYS A 103 5.417 10.223 -6.185 1.00 0.00 C ATOM 1490 C LYS A 103 5.494 9.768 -4.727 1.00 0.00 C ATOM 1491 O LYS A 103 5.542 10.602 -3.816 1.00 0.00 O ATOM 1492 CB LYS A 103 6.834 10.206 -6.797 1.00 0.00 C ATOM 1493 CG LYS A 103 6.961 10.908 -8.148 1.00 0.00 C ATOM 1494 CD LYS A 103 8.094 10.326 -8.977 1.00 0.00 C ATOM 1495 CE LYS A 103 8.204 11.016 -10.328 1.00 0.00 C ATOM 1496 NZ LYS A 103 8.932 10.179 -11.322 1.00 0.00 N ATOM 0 H LYS A 103 5.319 12.270 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 103 4.782 9.540 -6.749 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.523 10.675 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.152 9.170 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.024 10.815 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.134 11.973 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.034 10.431 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.928 9.259 -9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.206 11.240 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.720 11.969 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.985 10.685 -12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.894 9.987 -10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.426 9.280 -11.456 1.00 0.00 H new ATOM 1510 N HIS A 104 5.510 8.447 -4.515 1.00 0.00 N ATOM 1511 CA HIS A 104 5.591 7.882 -3.165 1.00 0.00 C ATOM 1512 C HIS A 104 7.030 7.457 -2.837 1.00 0.00 C ATOM 1513 O HIS A 104 7.854 7.287 -3.740 1.00 0.00 O ATOM 1514 CB HIS A 104 4.608 6.700 -3.005 1.00 0.00 C ATOM 1515 CG HIS A 104 4.857 5.533 -3.920 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.639 4.454 -3.563 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.416 5.278 -5.175 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.669 3.587 -4.559 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.935 4.063 -5.549 1.00 0.00 N ATOM 0 H HIS A 104 5.468 7.751 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 104 5.301 8.655 -2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.652 6.349 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.595 7.065 -3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.776 5.912 -5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.203 2.648 -4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.779 3.603 -6.446 1.00 0.00 H new ATOM 1528 N ARG A 105 7.315 7.288 -1.538 1.00 0.00 N ATOM 1529 CA ARG A 105 8.653 6.895 -1.072 1.00 0.00 C ATOM 1530 C ARG A 105 8.854 5.369 -1.076 1.00 0.00 C ATOM 1531 O ARG A 105 9.960 4.888 -0.803 1.00 0.00 O ATOM 1532 CB ARG A 105 8.916 7.456 0.331 1.00 0.00 C ATOM 1533 CG ARG A 105 9.048 8.974 0.380 1.00 0.00 C ATOM 1534 CD ARG A 105 9.444 9.464 1.767 1.00 0.00 C ATOM 1535 NE ARG A 105 10.849 9.171 2.080 1.00 0.00 N ATOM 1536 CZ ARG A 105 11.628 9.920 2.875 1.00 0.00 C ATOM 1537 NH1 ARG A 105 11.162 11.023 3.456 1.00 0.00 N ATOM 1538 NH2 ARG A 105 12.886 9.556 3.088 1.00 0.00 N ATOM 0 H ARG A 105 6.635 7.418 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 105 9.371 7.318 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.103 7.151 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.830 7.010 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.794 9.297 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.102 9.431 0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.276 10.539 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 105 8.802 8.995 2.513 1.00 0.00 H new ATOM 0 HE ARG A 105 11.262 8.337 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.196 11.312 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.770 11.579 4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.254 8.712 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.485 10.120 3.691 1.00 0.00 H new ATOM 1552 N GLY A 106 7.789 4.619 -1.394 1.00 0.00 N ATOM 1553 CA GLY A 106 7.881 3.163 -1.441 1.00 0.00 C ATOM 1554 C GLY A 106 7.313 2.460 -0.218 1.00 0.00 C ATOM 1555 O GLY A 106 7.776 1.370 0.129 1.00 0.00 O ATOM 0 H GLY A 106 6.868 4.995 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.356 2.806 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.928 2.880 -1.555 1.00 0.00 H new ATOM 1559 N PHE A 107 6.330 3.087 0.450 1.00 0.00 N ATOM 1560 CA PHE A 107 5.667 2.478 1.615 1.00 0.00 C ATOM 1561 C PHE A 107 4.209 2.929 1.710 1.00 0.00 C ATOM 1562 O PHE A 107 3.865 4.041 1.300 1.00 0.00 O ATOM 1563 CB PHE A 107 6.422 2.752 2.939 1.00 0.00 C ATOM 1564 CG PHE A 107 6.617 4.205 3.298 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.630 4.905 3.976 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.796 4.858 2.981 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.814 6.229 4.325 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.985 6.183 3.325 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.993 6.869 3.999 1.00 0.00 C ATOM 0 H PHE A 107 5.978 4.012 0.204 1.00 0.00 H new ATOM 0 HA PHE A 107 5.686 1.399 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.880 2.267 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.402 2.277 2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.706 4.409 4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.577 4.326 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.037 6.762 4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.907 6.682 3.067 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.140 7.904 4.270 1.00 0.00 H new ATOM 1579 N ALA A 108 3.362 2.046 2.261 1.00 0.00 N ATOM 1580 CA ALA A 108 1.923 2.307 2.416 1.00 0.00 C ATOM 1581 C ALA A 108 1.326 1.478 3.556 1.00 0.00 C ATOM 1582 O ALA A 108 1.951 0.526 4.029 1.00 0.00 O ATOM 1583 CB ALA A 108 1.191 1.979 1.117 1.00 0.00 C ATOM 0 H ALA A 108 3.654 1.134 2.611 1.00 0.00 H new ATOM 0 HA ALA A 108 1.800 3.363 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.126 2.175 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.583 2.600 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.340 0.928 0.871 1.00 0.00 H new ATOM 1589 N PHE A 109 0.129 1.868 4.011 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.583 1.127 5.053 1.00 0.00 C ATOM 1591 C PHE A 109 -1.787 0.448 4.419 1.00 0.00 C ATOM 1592 O PHE A 109 -2.516 1.076 3.645 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.050 2.040 6.195 1.00 0.00 C ATOM 1594 CG PHE A 109 0.060 2.760 6.913 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.674 2.188 8.015 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.486 4.007 6.485 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.691 2.848 8.680 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.502 4.671 7.144 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.106 4.091 8.242 1.00 0.00 C ATOM 0 H PHE A 109 -0.365 2.693 3.672 1.00 0.00 H new ATOM 0 HA PHE A 109 0.099 0.394 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.744 2.778 5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.605 1.442 6.918 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.355 1.215 8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.018 4.465 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.160 2.393 9.540 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.824 5.643 6.801 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.902 4.608 8.758 1.00 0.00 H new ATOM 1609 N VAL A 110 -1.992 -0.825 4.745 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.107 -1.587 4.188 1.00 0.00 C ATOM 1611 C VAL A 110 -4.134 -1.916 5.281 1.00 0.00 C ATOM 1612 O VAL A 110 -3.773 -2.369 6.371 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.598 -2.878 3.448 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.836 -3.830 4.375 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.739 -3.617 2.746 1.00 0.00 C ATOM 0 H VAL A 110 -1.402 -1.350 5.391 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.608 -0.971 3.441 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.896 -2.530 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.509 -4.703 3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.967 -3.318 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.490 -4.147 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.346 -4.503 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.486 -3.916 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.199 -2.959 2.009 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.409 -1.678 4.962 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.508 -1.925 5.891 1.00 0.00 C ATOM 1627 C GLU A 111 -7.306 -3.156 5.465 1.00 0.00 C ATOM 1628 O GLU A 111 -7.724 -3.264 4.309 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.426 -0.698 5.944 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.965 -0.372 7.332 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.452 -0.073 7.328 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.845 0.985 6.792 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.224 -0.898 7.859 1.00 0.00 O ATOM 0 H GLU A 111 -5.704 -1.311 4.057 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.093 -2.109 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.878 0.166 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.267 -0.860 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.769 -1.211 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.427 0.487 7.734 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.508 -4.076 6.411 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.261 -5.305 6.159 1.00 0.00 C ATOM 1642 C PHE A 112 -9.552 -5.327 6.966 1.00 0.00 C ATOM 1643 O PHE A 112 -9.596 -4.826 8.092 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.421 -6.536 6.510 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.473 -6.974 5.428 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -6.886 -7.875 4.459 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.171 -6.502 5.384 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -6.021 -8.296 3.470 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.302 -6.919 4.392 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.730 -7.817 3.437 1.00 0.00 C ATOM 0 H PHE A 112 -7.157 -3.991 7.365 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.507 -5.329 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.849 -6.324 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.092 -7.363 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.898 -8.252 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.831 -5.801 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.356 -9.000 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.290 -6.542 4.365 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.052 -8.145 2.663 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.604 -5.910 6.374 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.914 -6.032 7.031 1.00 0.00 C ATOM 1662 C GLU A 113 -11.845 -7.041 8.195 1.00 0.00 C ATOM 1663 O GLU A 113 -12.481 -6.845 9.234 1.00 0.00 O ATOM 1664 CB GLU A 113 -12.975 -6.450 5.999 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.416 -6.300 6.471 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.418 -6.866 5.483 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.427 -8.100 5.284 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.193 -6.074 4.908 1.00 0.00 O ATOM 0 H GLU A 113 -10.573 -6.307 5.435 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.196 -5.065 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.839 -5.854 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.804 -7.491 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.534 -6.804 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.632 -5.244 6.636 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.066 -8.111 7.993 1.00 0.00 N ATOM 1676 CA LEU A 114 -10.877 -9.152 9.007 1.00 0.00 C ATOM 1677 C LEU A 114 -9.506 -9.041 9.655 1.00 0.00 C ATOM 1678 O LEU A 114 -8.509 -8.794 8.975 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.019 -10.554 8.388 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.445 -11.005 8.053 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -12.922 -10.390 6.745 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.505 -12.524 7.979 1.00 0.00 C ATOM 0 H LEU A 114 -10.553 -8.278 7.127 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.648 -9.007 9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.426 -10.587 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.584 -11.278 9.077 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.109 -10.660 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -13.936 -10.728 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -12.911 -9.303 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.260 -10.698 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.522 -12.837 7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.825 -12.878 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.211 -12.947 8.940 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.470 -9.206 10.978 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.214 -9.186 11.738 1.00 0.00 C ATOM 1696 C ALA A 115 -7.445 -10.495 11.523 1.00 0.00 C ATOM 1697 O ALA A 115 -6.236 -10.571 11.754 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.490 -8.967 13.218 1.00 0.00 C ATOM 0 H ALA A 115 -10.301 -9.356 11.551 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.602 -8.359 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.548 -8.955 13.766 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.002 -8.015 13.356 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.118 -9.774 13.594 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.192 -11.520 11.075 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.661 -12.857 10.792 1.00 0.00 C ATOM 1706 C GLU A 116 -6.778 -12.849 9.527 1.00 0.00 C ATOM 1707 O GLU A 116 -5.642 -13.339 9.550 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.854 -13.821 10.628 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.498 -15.303 10.504 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.080 -15.953 11.820 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.575 -15.533 12.891 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -7.252 -16.888 11.777 1.00 0.00 O ATOM 0 H GLU A 116 -9.193 -11.438 10.899 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.028 -13.185 11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.518 -13.696 11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.416 -13.526 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.357 -15.840 10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.688 -15.412 9.783 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.311 -12.270 8.436 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.591 -12.178 7.157 1.00 0.00 C ATOM 1721 C ASP A 117 -5.404 -11.203 7.245 1.00 0.00 C ATOM 1722 O ASP A 117 -4.386 -11.393 6.573 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.554 -11.826 5.997 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.330 -10.520 6.165 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.776 -9.554 6.723 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.498 -10.472 5.725 1.00 0.00 O ATOM 0 H ASP A 117 -8.244 -11.857 8.417 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.173 -13.160 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.978 -11.771 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.268 -12.641 5.880 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.555 -10.160 8.085 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.510 -9.148 8.301 1.00 0.00 C ATOM 1733 C ALA A 118 -3.265 -9.762 8.946 1.00 0.00 C ATOM 1734 O ALA A 118 -2.137 -9.484 8.526 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.049 -8.028 9.175 1.00 0.00 C ATOM 0 H ALA A 118 -6.402 -9.998 8.629 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.222 -8.746 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.270 -7.282 9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.904 -7.563 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.360 -8.435 10.137 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.488 -10.604 9.973 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.403 -11.304 10.671 1.00 0.00 C ATOM 1743 C ALA A 119 -1.744 -12.315 9.735 1.00 0.00 C ATOM 1744 O ALA A 119 -0.547 -12.605 9.848 1.00 0.00 O ATOM 1745 CB ALA A 119 -2.934 -11.996 11.918 1.00 0.00 C ATOM 0 H ALA A 119 -4.418 -10.814 10.336 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.654 -10.574 10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.117 -12.511 12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.367 -11.254 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.699 -12.720 11.635 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.556 -12.834 8.799 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.099 -13.799 7.790 1.00 0.00 C ATOM 1753 C ALA A 120 -1.161 -13.132 6.779 1.00 0.00 C ATOM 1754 O ALA A 120 -0.203 -13.751 6.302 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.292 -14.414 7.071 1.00 0.00 C ATOM 0 H ALA A 120 -3.545 -12.596 8.722 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.546 -14.588 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.940 -15.127 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.927 -14.927 7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.865 -13.628 6.579 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.451 -11.855 6.472 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.654 -11.060 5.532 1.00 0.00 C ATOM 1763 C ALA A 121 0.737 -10.745 6.093 1.00 0.00 C ATOM 1764 O ALA A 121 1.719 -10.761 5.354 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.386 -9.773 5.175 1.00 0.00 C ATOM 0 H ALA A 121 -2.243 -11.350 6.869 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.518 -11.655 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.783 -9.193 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.343 -10.015 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.557 -9.189 6.079 1.00 0.00 H new ATOM 1771 N ILE A 122 0.810 -10.459 7.406 1.00 0.00 N ATOM 1772 CA ILE A 122 2.092 -10.154 8.071 1.00 0.00 C ATOM 1773 C ILE A 122 2.981 -11.406 8.166 1.00 0.00 C ATOM 1774 O ILE A 122 4.207 -11.307 8.092 1.00 0.00 O ATOM 1775 CB ILE A 122 1.892 -9.511 9.485 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.133 -8.175 9.351 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.243 -9.284 10.187 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.538 -7.646 10.644 1.00 0.00 C ATOM 0 H ILE A 122 0.000 -10.433 8.026 1.00 0.00 H new ATOM 0 HA ILE A 122 2.598 -9.416 7.449 1.00 0.00 H new ATOM 0 HB ILE A 122 1.306 -10.199 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.814 -7.426 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.331 -8.301 8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.073 -8.837 11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.755 -10.239 10.308 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.858 -8.616 9.585 1.00 0.00 H new ATOM 0 HD11 ILE A 122 0.025 -6.704 10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.172 -8.371 11.041 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.334 -7.482 11.371 1.00 0.00 H new ATOM 1790 N ASP A 123 2.349 -12.574 8.336 1.00 0.00 N ATOM 1791 CA ASP A 123 3.068 -13.850 8.444 1.00 0.00 C ATOM 1792 C ASP A 123 3.705 -14.296 7.114 1.00 0.00 C ATOM 1793 O ASP A 123 4.794 -14.879 7.118 1.00 0.00 O ATOM 1794 CB ASP A 123 2.116 -14.938 8.954 1.00 0.00 C ATOM 1795 CG ASP A 123 2.819 -15.980 9.805 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.334 -15.617 10.884 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.852 -17.159 9.394 1.00 0.00 O ATOM 0 H ASP A 123 1.335 -12.662 8.402 1.00 0.00 H new ATOM 0 HA ASP A 123 3.884 -13.697 9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.321 -14.475 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.643 -15.429 8.104 1.00 0.00 H new ATOM 1802 N ASN A 124 3.027 -14.019 5.992 1.00 0.00 N ATOM 1803 CA ASN A 124 3.517 -14.435 4.668 1.00 0.00 C ATOM 1804 C ASN A 124 4.164 -13.310 3.847 1.00 0.00 C ATOM 1805 O ASN A 124 5.137 -13.562 3.131 1.00 0.00 O ATOM 1806 CB ASN A 124 2.372 -15.054 3.858 1.00 0.00 C ATOM 1807 CG ASN A 124 1.923 -16.401 4.401 1.00 0.00 C ATOM 1808 OD1 ASN A 124 2.737 -17.301 4.621 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.621 -16.546 4.620 1.00 0.00 N ATOM 0 H ASN A 124 2.142 -13.512 5.973 1.00 0.00 H new ATOM 0 HA ASN A 124 4.303 -15.165 4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.524 -14.369 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.690 -15.173 2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.260 -17.428 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.018 -15.775 4.424 1.00 0.00 H new ATOM 1816 N MET A 125 3.639 -12.080 3.950 1.00 0.00 N ATOM 1817 CA MET A 125 4.154 -10.946 3.155 1.00 0.00 C ATOM 1818 C MET A 125 5.270 -10.155 3.852 1.00 0.00 C ATOM 1819 O MET A 125 5.789 -9.191 3.275 1.00 0.00 O ATOM 1820 CB MET A 125 3.010 -9.996 2.774 1.00 0.00 C ATOM 1821 CG MET A 125 2.027 -10.582 1.768 1.00 0.00 C ATOM 1822 SD MET A 125 2.782 -10.973 0.174 1.00 0.00 S ATOM 1823 CE MET A 125 2.829 -9.360 -0.604 1.00 0.00 C ATOM 0 H MET A 125 2.864 -11.842 4.570 1.00 0.00 H new ATOM 0 HA MET A 125 4.595 -11.387 2.261 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.467 -9.717 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.434 -9.080 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.587 -11.488 2.186 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.212 -9.875 1.612 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.551 -9.371 -1.421 1.00 0.00 H new ATOM 0 HE2 MET A 125 1.842 -9.116 -0.996 1.00 0.00 H new ATOM 0 HE3 MET A 125 3.123 -8.610 0.130 1.00 0.00 H new ATOM 1833 N ASN A 126 5.660 -10.565 5.071 1.00 0.00 N ATOM 1834 CA ASN A 126 6.724 -9.874 5.833 1.00 0.00 C ATOM 1835 C ASN A 126 8.041 -9.805 5.034 1.00 0.00 C ATOM 1836 O ASN A 126 8.764 -8.807 5.104 1.00 0.00 O ATOM 1837 CB ASN A 126 6.963 -10.585 7.172 1.00 0.00 C ATOM 1838 CG ASN A 126 7.607 -9.688 8.221 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.623 -9.039 7.964 1.00 0.00 O ATOM 1840 ND2 ASN A 126 7.014 -9.650 9.409 1.00 0.00 N ATOM 0 H ASN A 126 5.258 -11.369 5.552 1.00 0.00 H new ATOM 0 HA ASN A 126 6.389 -8.853 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.012 -10.955 7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.600 -11.454 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.398 -9.067 10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.174 -10.204 9.578 1.00 0.00 H new ATOM 1847 N GLU A 127 8.331 -10.879 4.285 1.00 0.00 N ATOM 1848 CA GLU A 127 9.535 -10.964 3.453 1.00 0.00 C ATOM 1849 C GLU A 127 9.192 -11.656 2.121 1.00 0.00 C ATOM 1850 O GLU A 127 9.572 -12.809 1.877 1.00 0.00 O ATOM 1851 CB GLU A 127 10.656 -11.714 4.207 1.00 0.00 C ATOM 1852 CG GLU A 127 12.057 -11.474 3.648 1.00 0.00 C ATOM 1853 CD GLU A 127 13.109 -12.352 4.301 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.023 -13.592 4.160 1.00 0.00 O ATOM 1855 OE2 GLU A 127 14.019 -11.800 4.953 1.00 0.00 O ATOM 0 H GLU A 127 7.739 -11.708 4.240 1.00 0.00 H new ATOM 0 HA GLU A 127 9.900 -9.960 3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.639 -11.412 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 127 10.444 -12.783 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.051 -11.659 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 127 12.325 -10.427 3.789 1.00 0.00 H new ATOM 1862 N SER A 128 8.458 -10.932 1.270 1.00 0.00 N ATOM 1863 CA SER A 128 8.039 -11.445 -0.036 1.00 0.00 C ATOM 1864 C SER A 128 8.553 -10.562 -1.169 1.00 0.00 C ATOM 1865 O SER A 128 8.805 -9.369 -0.970 1.00 0.00 O ATOM 1866 CB SER A 128 6.513 -11.539 -0.103 1.00 0.00 C ATOM 1867 OG SER A 128 6.011 -12.403 0.900 1.00 0.00 O ATOM 0 H SER A 128 8.141 -9.983 1.465 1.00 0.00 H new ATOM 0 HA SER A 128 8.468 -12.440 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.079 -10.546 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.211 -11.903 -1.085 1.00 0.00 H new ATOM 0 HG SER A 128 5.109 -12.698 0.656 1.00 0.00 H new ATOM 1873 N GLU A 129 8.717 -11.160 -2.357 1.00 0.00 N ATOM 1874 CA GLU A 129 9.193 -10.439 -3.533 1.00 0.00 C ATOM 1875 C GLU A 129 8.009 -9.893 -4.342 1.00 0.00 C ATOM 1876 O GLU A 129 7.161 -10.656 -4.819 1.00 0.00 O ATOM 1877 CB GLU A 129 10.056 -11.372 -4.393 1.00 0.00 C ATOM 1878 CG GLU A 129 11.007 -10.647 -5.331 1.00 0.00 C ATOM 1879 CD GLU A 129 11.766 -11.591 -6.244 1.00 0.00 C ATOM 1880 OE1 GLU A 129 12.619 -12.351 -5.737 1.00 0.00 O ATOM 1881 OE2 GLU A 129 11.509 -11.568 -7.465 1.00 0.00 O ATOM 0 H GLU A 129 8.524 -12.148 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 129 9.800 -9.592 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.635 -12.022 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.402 -12.015 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.442 -9.938 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.718 -10.067 -4.743 1.00 0.00 H new ATOM 1888 N LEU A 130 7.970 -8.567 -4.475 1.00 0.00 N ATOM 1889 CA LEU A 130 6.915 -7.882 -5.220 1.00 0.00 C ATOM 1890 C LEU A 130 7.534 -6.937 -6.250 1.00 0.00 C ATOM 1891 O LEU A 130 8.381 -6.106 -5.909 1.00 0.00 O ATOM 1892 CB LEU A 130 5.997 -7.114 -4.252 1.00 0.00 C ATOM 1893 CG LEU A 130 4.679 -6.585 -4.845 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.587 -7.644 -4.774 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.242 -5.321 -4.121 1.00 0.00 C ATOM 0 H LEU A 130 8.666 -7.940 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 130 6.312 -8.620 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.758 -7.769 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.555 -6.269 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 130 4.850 -6.345 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.666 -7.246 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.896 -8.524 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.416 -7.921 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.308 -4.959 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.093 -5.540 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 130 5.011 -4.556 -4.228 1.00 0.00 H new ATOM 1907 N PHE A 131 7.102 -7.075 -7.521 1.00 0.00 N ATOM 1908 CA PHE A 131 7.594 -6.248 -8.655 1.00 0.00 C ATOM 1909 C PHE A 131 9.109 -6.430 -8.903 1.00 0.00 C ATOM 1910 O PHE A 131 9.735 -5.631 -9.611 1.00 0.00 O ATOM 1911 CB PHE A 131 7.259 -4.757 -8.437 1.00 0.00 C ATOM 1912 CG PHE A 131 6.771 -4.060 -9.676 1.00 0.00 C ATOM 1913 CD1 PHE A 131 5.420 -4.034 -9.986 1.00 0.00 C ATOM 1914 CD2 PHE A 131 7.663 -3.433 -10.531 1.00 0.00 C ATOM 1915 CE1 PHE A 131 4.968 -3.393 -11.124 1.00 0.00 C ATOM 1916 CE2 PHE A 131 7.217 -2.792 -11.671 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.868 -2.771 -11.969 1.00 0.00 C ATOM 0 H PHE A 131 6.401 -7.763 -7.796 1.00 0.00 H new ATOM 0 HA PHE A 131 7.075 -6.599 -9.547 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.498 -4.674 -7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 131 8.147 -4.244 -8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.713 -4.520 -9.331 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.719 -3.445 -10.304 1.00 0.00 H new ATOM 0 HE1 PHE A 131 3.913 -3.378 -11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.923 -2.307 -12.329 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.518 -2.270 -12.859 1.00 0.00 H new ATOM 1927 N GLY A 132 9.678 -7.500 -8.328 1.00 0.00 N ATOM 1928 CA GLY A 132 11.100 -7.786 -8.479 1.00 0.00 C ATOM 1929 C GLY A 132 11.931 -7.318 -7.291 1.00 0.00 C ATOM 1930 O GLY A 132 13.120 -7.638 -7.200 1.00 0.00 O ATOM 0 H GLY A 132 9.171 -8.176 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.237 -8.859 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.468 -7.304 -9.385 1.00 0.00 H new ATOM 1934 N ARG A 133 11.299 -6.561 -6.387 1.00 0.00 N ATOM 1935 CA ARG A 133 11.957 -6.038 -5.196 1.00 0.00 C ATOM 1936 C ARG A 133 11.360 -6.682 -3.939 1.00 0.00 C ATOM 1937 O ARG A 133 10.177 -7.034 -3.919 1.00 0.00 O ATOM 1938 CB ARG A 133 11.779 -4.516 -5.167 1.00 0.00 C ATOM 1939 CG ARG A 133 12.683 -3.779 -4.192 1.00 0.00 C ATOM 1940 CD ARG A 133 12.389 -2.293 -4.223 1.00 0.00 C ATOM 1941 NE ARG A 133 13.116 -1.560 -3.182 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.419 -0.256 -3.238 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.065 0.489 -4.284 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.081 0.306 -2.236 1.00 0.00 N ATOM 0 H ARG A 133 10.317 -6.297 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 133 13.020 -6.276 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.957 -4.126 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.742 -4.292 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.533 -4.165 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 133 13.727 -3.955 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.657 -1.892 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.318 -2.134 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 133 13.412 -2.080 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.554 0.068 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.305 1.480 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.356 -0.254 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.315 1.298 -2.272 1.00 0.00 H new ATOM 1958 N THR A 134 12.187 -6.824 -2.893 1.00 0.00 N ATOM 1959 CA THR A 134 11.753 -7.423 -1.621 1.00 0.00 C ATOM 1960 C THR A 134 10.997 -6.397 -0.770 1.00 0.00 C ATOM 1961 O THR A 134 11.398 -5.231 -0.691 1.00 0.00 O ATOM 1962 CB THR A 134 12.952 -7.983 -0.811 1.00 0.00 C ATOM 1963 OG1 THR A 134 13.971 -8.462 -1.701 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.519 -9.125 0.107 1.00 0.00 C ATOM 0 H THR A 134 13.164 -6.531 -2.903 1.00 0.00 H new ATOM 0 HA THR A 134 11.088 -8.251 -1.867 1.00 0.00 H new ATOM 0 HB THR A 134 13.343 -7.170 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.723 -8.811 -1.179 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.383 -9.495 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.767 -8.763 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.098 -9.933 -0.491 1.00 0.00 H new ATOM 1972 N ILE A 135 9.906 -6.846 -0.141 1.00 0.00 N ATOM 1973 CA ILE A 135 9.074 -5.975 0.698 1.00 0.00 C ATOM 1974 C ILE A 135 9.002 -6.476 2.144 1.00 0.00 C ATOM 1975 O ILE A 135 9.215 -7.662 2.415 1.00 0.00 O ATOM 1976 CB ILE A 135 7.628 -5.799 0.130 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.934 -7.157 -0.126 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.658 -4.966 -1.150 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.455 -7.173 0.213 1.00 0.00 C ATOM 0 H ILE A 135 9.577 -7.810 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 135 9.563 -5.001 0.687 1.00 0.00 H new ATOM 0 HB ILE A 135 7.043 -5.274 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.058 -7.423 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.438 -7.926 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.644 -4.852 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.077 -3.983 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.274 -5.468 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.045 -8.161 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.321 -6.940 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.935 -6.430 -0.391 1.00 0.00 H new ATOM 1991 N ARG A 136 8.698 -5.550 3.054 1.00 0.00 N ATOM 1992 CA ARG A 136 8.572 -5.849 4.481 1.00 0.00 C ATOM 1993 C ARG A 136 7.241 -5.323 5.014 1.00 0.00 C ATOM 1994 O ARG A 136 6.869 -4.182 4.723 1.00 0.00 O ATOM 1995 CB ARG A 136 9.745 -5.250 5.273 1.00 0.00 C ATOM 1996 CG ARG A 136 9.977 -3.755 5.076 1.00 0.00 C ATOM 1997 CD ARG A 136 11.210 -3.314 5.832 1.00 0.00 C ATOM 1998 NE ARG A 136 12.414 -3.352 4.996 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.663 -3.150 5.443 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.902 -2.892 6.728 1.00 0.00 N ATOM 2001 NH2 ARG A 136 14.679 -3.208 4.593 1.00 0.00 N ATOM 0 H ARG A 136 8.532 -4.571 2.822 1.00 0.00 H new ATOM 0 HA ARG A 136 8.598 -6.931 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 136 9.577 -5.437 6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 136 10.656 -5.781 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.094 -3.534 4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 136 9.109 -3.196 5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.062 -2.301 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.352 -3.958 6.700 1.00 0.00 H new ATOM 0 HE ARG A 136 12.293 -3.546 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.128 -2.845 7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.859 -2.741 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 136 14.508 -3.405 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.631 -3.056 4.925 1.00 0.00 H new ATOM 2015 N VAL A 137 6.532 -6.150 5.791 1.00 0.00 N ATOM 2016 CA VAL A 137 5.243 -5.735 6.350 1.00 0.00 C ATOM 2017 C VAL A 137 5.185 -5.979 7.861 1.00 0.00 C ATOM 2018 O VAL A 137 5.727 -6.967 8.365 1.00 0.00 O ATOM 2019 CB VAL A 137 4.008 -6.398 5.631 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.294 -6.719 4.167 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.501 -7.641 6.343 1.00 0.00 C ATOM 0 H VAL A 137 6.823 -7.094 6.043 1.00 0.00 H new ATOM 0 HA VAL A 137 5.171 -4.663 6.166 1.00 0.00 H new ATOM 0 HB VAL A 137 3.219 -5.647 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.413 -7.174 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.541 -5.800 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.133 -7.412 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.650 -8.051 5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.296 -8.385 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.193 -7.380 7.355 1.00 0.00 H new ATOM 2031 N ASN A 138 4.520 -5.056 8.562 1.00 0.00 N ATOM 2032 CA ASN A 138 4.349 -5.123 10.019 1.00 0.00 C ATOM 2033 C ASN A 138 2.948 -4.640 10.404 1.00 0.00 C ATOM 2034 O ASN A 138 2.213 -4.132 9.555 1.00 0.00 O ATOM 2035 CB ASN A 138 5.417 -4.272 10.729 1.00 0.00 C ATOM 2036 CG ASN A 138 6.827 -4.808 10.542 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.643 -4.205 9.846 1.00 0.00 O ATOM 2038 ND2 ASN A 138 7.121 -5.943 11.168 1.00 0.00 N ATOM 0 H ASN A 138 4.083 -4.239 8.135 1.00 0.00 H new ATOM 0 HA ASN A 138 4.468 -6.159 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.370 -3.251 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.189 -4.228 11.794 1.00 0.00 H new ATOM 0 HD21 ASN A 138 8.054 -6.347 11.081 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.414 -6.410 11.735 1.00 0.00 H new ATOM 2045 N LEU A 139 2.573 -4.813 11.679 1.00 0.00 N ATOM 2046 CA LEU A 139 1.259 -4.376 12.168 1.00 0.00 C ATOM 2047 C LEU A 139 1.273 -2.874 12.487 1.00 0.00 C ATOM 2048 O LEU A 139 2.116 -2.401 13.255 1.00 0.00 O ATOM 2049 CB LEU A 139 0.864 -5.191 13.411 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.624 -5.150 13.792 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -1.069 -6.498 14.337 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -0.896 -4.050 14.813 1.00 0.00 C ATOM 0 H LEU A 139 3.160 -5.252 12.389 1.00 0.00 H new ATOM 0 HA LEU A 139 0.519 -4.548 11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.149 -6.230 13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.447 -4.831 14.259 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.198 -4.928 12.892 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.125 -6.452 14.602 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.918 -7.265 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.483 -6.744 15.222 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.956 -4.042 15.066 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.310 -4.236 15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.617 -3.085 14.391 1.00 0.00 H new ATOM 2064 N ALA A 140 0.328 -2.144 11.881 1.00 0.00 N ATOM 2065 CA ALA A 140 0.207 -0.698 12.074 1.00 0.00 C ATOM 2066 C ALA A 140 -0.864 -0.369 13.108 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.109 -0.014 10.748 1.00 0.00 C ATOM 0 H ALA A 140 -0.368 -2.538 11.248 1.00 0.00 H new ATOM 0 HA ALA A 140 1.161 -0.325 12.447 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.197 1.061 10.905 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.692 -0.213 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.049 -0.401 10.354 1.00 0.00 H new