USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 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 :FLIP no HD1:sc= -1.16 F(o=-2.4!,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -139:sc= -1.31 USER MOD Single : A 94 GLN : amide:sc=-0.00111 X(o=-0.0011,f=-0.00076) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-6.7!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 125 MET CE :methyl 159:sc= -1.75 (180deg=-3.41!) USER MOD Single : A 126 ASN : amide:sc=-0.00578 X(o=-0.0058,f=-0.21) USER MOD Single : A 128 SER OG : rot -160:sc= -1.1 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.256 -4.438 12.701 1.00 0.00 N ATOM 883 CA ARG A 64 -6.652 -4.865 11.351 1.00 0.00 C ATOM 884 C ARG A 64 -5.881 -4.099 10.261 1.00 0.00 C ATOM 885 O ARG A 64 -6.035 -4.388 9.068 1.00 0.00 O ATOM 886 CB ARG A 64 -8.164 -4.677 11.155 1.00 0.00 C ATOM 887 CG ARG A 64 -9.030 -5.543 12.066 1.00 0.00 C ATOM 888 CD ARG A 64 -10.519 -5.379 11.772 1.00 0.00 C ATOM 889 NE ARG A 64 -11.005 -4.022 12.064 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.029 -3.425 11.436 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.706 -4.050 10.474 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.378 -2.192 11.777 1.00 0.00 N ATOM 0 HA ARG A 64 -6.404 -5.922 11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.413 -3.630 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.414 -4.899 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.750 -6.589 11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.836 -5.281 13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.707 -5.611 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.084 -6.099 12.364 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.529 -3.497 12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.449 -4.999 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.482 -3.579 10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.869 -1.703 12.513 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.156 -1.733 11.303 1.00 0.00 H new ATOM 906 N VAL A 65 -5.047 -3.134 10.678 1.00 0.00 N ATOM 907 CA VAL A 65 -4.246 -2.326 9.745 1.00 0.00 C ATOM 908 C VAL A 65 -2.784 -2.781 9.802 1.00 0.00 C ATOM 909 O VAL A 65 -2.227 -2.953 10.889 1.00 0.00 O ATOM 910 CB VAL A 65 -4.345 -0.797 10.058 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.683 0.044 8.966 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.799 -0.361 10.234 1.00 0.00 C ATOM 0 H VAL A 65 -4.909 -2.893 11.660 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.645 -2.477 8.742 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.812 -0.630 10.994 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.771 1.101 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.629 -0.224 8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.176 -0.145 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.835 0.707 10.451 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.353 -0.564 9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.247 -0.914 11.059 1.00 0.00 H new ATOM 922 N LEU A 66 -2.180 -2.973 8.623 1.00 0.00 N ATOM 923 CA LEU A 66 -0.787 -3.433 8.530 1.00 0.00 C ATOM 924 C LEU A 66 0.069 -2.458 7.728 1.00 0.00 C ATOM 925 O LEU A 66 -0.443 -1.686 6.912 1.00 0.00 O ATOM 926 CB LEU A 66 -0.693 -4.841 7.891 1.00 0.00 C ATOM 927 CG LEU A 66 -1.979 -5.686 7.849 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.811 -6.830 6.862 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.342 -6.223 9.231 1.00 0.00 C ATOM 0 H LEU A 66 -2.632 -2.818 7.722 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.407 -3.483 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.333 -4.724 6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.065 -5.407 8.433 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.797 -5.044 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.724 -7.425 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.612 -6.427 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.977 -7.459 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.255 -6.815 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.531 -6.849 9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.500 -5.389 9.915 1.00 0.00 H new ATOM 941 N TYR A 67 1.380 -2.510 7.977 1.00 0.00 N ATOM 942 CA TYR A 67 2.355 -1.682 7.277 1.00 0.00 C ATOM 943 C TYR A 67 3.033 -2.528 6.203 1.00 0.00 C ATOM 944 O TYR A 67 3.410 -3.668 6.464 1.00 0.00 O ATOM 945 CB TYR A 67 3.390 -1.109 8.280 1.00 0.00 C ATOM 946 CG TYR A 67 4.733 -0.701 7.675 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.944 0.581 7.180 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.782 -1.615 7.592 1.00 0.00 C ATOM 949 CE1 TYR A 67 6.160 0.940 6.622 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.997 -1.265 7.035 1.00 0.00 C ATOM 951 CZ TYR A 67 7.180 0.014 6.552 1.00 0.00 C ATOM 952 OH TYR A 67 8.389 0.368 5.996 1.00 0.00 O ATOM 0 H TYR A 67 1.793 -3.131 8.673 1.00 0.00 H new ATOM 0 HA TYR A 67 1.857 -0.836 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.952 -0.239 8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.571 -1.854 9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.147 1.308 7.231 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.642 -2.617 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.309 1.940 6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.798 -1.988 6.978 1.00 0.00 H new ATOM 0 HH TYR A 67 8.999 -0.398 6.024 1.00 0.00 H new ATOM 962 N VAL A 68 3.164 -1.968 5.007 1.00 0.00 N ATOM 963 CA VAL A 68 3.820 -2.658 3.897 1.00 0.00 C ATOM 964 C VAL A 68 4.886 -1.752 3.283 1.00 0.00 C ATOM 965 O VAL A 68 4.565 -0.688 2.744 1.00 0.00 O ATOM 966 CB VAL A 68 2.812 -3.142 2.808 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.072 -4.382 3.287 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.808 -2.059 2.415 1.00 0.00 C ATOM 0 H VAL A 68 2.824 -1.034 4.778 1.00 0.00 H new ATOM 0 HA VAL A 68 4.291 -3.554 4.301 1.00 0.00 H new ATOM 0 HB VAL A 68 3.397 -3.382 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.372 -4.708 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.789 -5.179 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.524 -4.149 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.131 -2.449 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.235 -1.759 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.341 -1.196 2.017 1.00 0.00 H new ATOM 978 N GLY A 69 6.148 -2.184 3.373 1.00 0.00 N ATOM 979 CA GLY A 69 7.245 -1.390 2.845 1.00 0.00 C ATOM 980 C GLY A 69 8.139 -2.157 1.897 1.00 0.00 C ATOM 981 O GLY A 69 8.250 -3.381 1.991 1.00 0.00 O ATOM 0 H GLY A 69 6.426 -3.067 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.839 -0.521 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.844 -1.015 3.674 1.00 0.00 H new ATOM 985 N GLY A 70 8.772 -1.418 0.982 1.00 0.00 N ATOM 986 CA GLY A 70 9.676 -2.016 0.009 1.00 0.00 C ATOM 987 C GLY A 70 9.067 -2.100 -1.377 1.00 0.00 C ATOM 988 O GLY A 70 9.478 -2.934 -2.188 1.00 0.00 O ATOM 0 H GLY A 70 8.672 -0.406 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.594 -1.430 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.952 -3.017 0.342 1.00 0.00 H new ATOM 992 N LEU A 71 8.084 -1.231 -1.642 1.00 0.00 N ATOM 993 CA LEU A 71 7.398 -1.195 -2.935 1.00 0.00 C ATOM 994 C LEU A 71 8.075 -0.206 -3.881 1.00 0.00 C ATOM 995 O LEU A 71 8.850 0.654 -3.451 1.00 0.00 O ATOM 996 CB LEU A 71 5.909 -0.818 -2.790 1.00 0.00 C ATOM 997 CG LEU A 71 5.181 -1.318 -1.536 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.330 -0.325 -0.402 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.715 -1.542 -1.846 1.00 0.00 C ATOM 0 H LEU A 71 7.746 -0.540 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 71 7.460 -2.201 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.831 0.269 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.378 -1.196 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 71 5.628 -2.263 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.807 -0.697 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.387 -0.195 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.904 0.633 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.204 -1.897 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.265 -0.605 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.620 -2.286 -2.637 1.00 0.00 H new ATOM 1011 N ALA A 72 7.766 -0.344 -5.170 1.00 0.00 N ATOM 1012 CA ALA A 72 8.319 0.517 -6.213 1.00 0.00 C ATOM 1013 C ALA A 72 7.422 1.735 -6.447 1.00 0.00 C ATOM 1014 O ALA A 72 6.236 1.712 -6.116 1.00 0.00 O ATOM 1015 CB ALA A 72 8.502 -0.273 -7.504 1.00 0.00 C ATOM 0 H ALA A 72 7.125 -1.056 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 72 9.294 0.877 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.915 0.379 -8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.185 -1.104 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.538 -0.659 -7.834 1.00 0.00 H new ATOM 1021 N GLU A 73 8.004 2.801 -7.009 1.00 0.00 N ATOM 1022 CA GLU A 73 7.269 4.047 -7.303 1.00 0.00 C ATOM 1023 C GLU A 73 6.183 3.828 -8.354 1.00 0.00 C ATOM 1024 O GLU A 73 5.183 4.551 -8.389 1.00 0.00 O ATOM 1025 CB GLU A 73 8.239 5.130 -7.772 1.00 0.00 C ATOM 1026 CG GLU A 73 9.201 5.563 -6.687 1.00 0.00 C ATOM 1027 CD GLU A 73 10.306 6.463 -7.202 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.363 5.934 -7.606 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.115 7.698 -7.202 1.00 0.00 O ATOM 0 H GLU A 73 8.989 2.830 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 73 6.782 4.369 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.805 4.760 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.672 5.995 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.648 6.085 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.644 4.679 -6.227 1.00 0.00 H new ATOM 1036 N GLU A 74 6.401 2.820 -9.208 1.00 0.00 N ATOM 1037 CA GLU A 74 5.458 2.460 -10.270 1.00 0.00 C ATOM 1038 C GLU A 74 4.255 1.672 -9.722 1.00 0.00 C ATOM 1039 O GLU A 74 3.343 1.324 -10.482 1.00 0.00 O ATOM 1040 CB GLU A 74 6.168 1.643 -11.361 1.00 0.00 C ATOM 1041 CG GLU A 74 7.218 2.427 -12.138 1.00 0.00 C ATOM 1042 CD GLU A 74 7.832 1.619 -13.266 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.665 0.735 -12.977 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.479 1.871 -14.437 1.00 0.00 O ATOM 0 H GLU A 74 7.235 2.233 -9.181 1.00 0.00 H new ATOM 0 HA GLU A 74 5.081 3.388 -10.701 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.643 0.777 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.422 1.263 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.763 3.329 -12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.005 2.748 -11.456 1.00 0.00 H new ATOM 1051 N VAL A 75 4.248 1.402 -8.399 1.00 0.00 N ATOM 1052 CA VAL A 75 3.139 0.652 -7.778 1.00 0.00 C ATOM 1053 C VAL A 75 1.999 1.601 -7.380 1.00 0.00 C ATOM 1054 O VAL A 75 2.245 2.708 -6.892 1.00 0.00 O ATOM 1055 CB VAL A 75 3.578 -0.236 -6.552 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.922 -0.912 -6.800 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.604 0.539 -5.232 1.00 0.00 C ATOM 0 H VAL A 75 4.984 1.687 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 75 2.784 -0.043 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 75 2.814 -1.008 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.191 -1.515 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.851 -1.552 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.686 -0.153 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.914 -0.126 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.308 1.367 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.608 0.928 -5.019 1.00 0.00 H new ATOM 1067 N ASP A 76 0.766 1.151 -7.604 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.427 1.939 -7.284 1.00 0.00 C ATOM 1069 C ASP A 76 -1.328 1.181 -6.304 1.00 0.00 C ATOM 1070 O ASP A 76 -1.013 0.053 -5.910 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.198 2.285 -8.574 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.420 3.194 -9.516 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.244 4.138 -9.031 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.477 2.961 -10.742 1.00 0.00 O ATOM 0 H ASP A 76 0.564 0.237 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.112 2.867 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.450 1.362 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.138 2.768 -8.308 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.453 1.808 -5.912 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.421 1.203 -4.977 1.00 0.00 C ATOM 1081 C ASP A 77 -3.986 -0.113 -5.525 1.00 0.00 C ATOM 1082 O ASP A 77 -4.327 -1.020 -4.762 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.571 2.177 -4.694 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.135 3.383 -3.883 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.940 3.235 -2.659 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -3.987 4.474 -4.474 1.00 0.00 O ATOM 0 H ASP A 77 -2.715 2.741 -6.231 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.889 0.988 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.996 2.515 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.362 1.652 -4.159 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.072 -0.190 -6.862 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.590 -1.368 -7.574 1.00 0.00 C ATOM 1093 C LYS A 78 -3.634 -2.551 -7.428 1.00 0.00 C ATOM 1094 O LYS A 78 -4.056 -3.694 -7.239 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.766 -1.038 -9.061 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.752 0.085 -9.334 1.00 0.00 C ATOM 1097 CD LYS A 78 -5.835 0.392 -10.816 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.684 1.623 -11.077 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.509 2.135 -12.464 1.00 0.00 N ATOM 0 H LYS A 78 -3.783 0.567 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.552 -1.638 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.797 -0.766 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.099 -1.934 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.738 -0.194 -8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.448 0.980 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.832 0.548 -11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.258 -0.463 -11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.734 1.382 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.418 2.405 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.106 2.976 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.512 2.389 -12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.787 1.398 -13.144 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.333 -2.235 -7.522 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.252 -3.205 -7.403 1.00 0.00 C ATOM 1115 C VAL A 79 -1.170 -3.775 -5.976 1.00 0.00 C ATOM 1116 O VAL A 79 -1.077 -4.994 -5.793 1.00 0.00 O ATOM 1117 CB VAL A 79 0.106 -2.548 -7.785 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.145 -3.600 -8.075 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.028 -1.622 -8.991 1.00 0.00 C ATOM 0 H VAL A 79 -2.006 -1.283 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.463 -4.025 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 79 0.421 -1.951 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.086 -3.118 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.291 -4.221 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.810 -4.223 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.943 -1.185 -9.224 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.384 -2.192 -9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.738 -0.828 -8.763 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.221 -2.879 -4.977 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.151 -3.269 -3.563 1.00 0.00 C ATOM 1131 C LEU A 80 -2.392 -4.067 -3.133 1.00 0.00 C ATOM 1132 O LEU A 80 -2.283 -5.037 -2.375 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.002 -2.023 -2.679 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.233 -2.231 -1.366 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.416 -0.931 -0.922 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.147 -2.769 -0.271 1.00 0.00 C ATOM 0 H LEU A 80 -1.311 -1.874 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.279 -3.911 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.498 -1.248 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.997 -1.647 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 80 0.547 -2.971 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.957 -1.094 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.110 -0.590 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.353 -0.175 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.574 -2.906 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.956 -2.061 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.565 -3.726 -0.584 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.566 -3.647 -3.633 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.848 -4.296 -3.321 1.00 0.00 C ATOM 1150 C HIS A 81 -4.935 -5.706 -3.931 1.00 0.00 C ATOM 1151 O HIS A 81 -5.282 -6.668 -3.241 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.002 -3.416 -3.834 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.328 -3.680 -3.181 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.295 -4.582 -3.475 1.00 0.00 N flip ATOM 1155 CD2 HIS A 81 -7.791 -2.962 -2.100 1.00 0.00 C flip ATOM 1156 CE1 HIS A 81 -9.314 -4.392 -2.573 1.00 0.00 C flip ATOM 1157 NE2 HIS A 81 -8.985 -3.410 -1.755 1.00 0.00 N flip ATOM 0 H HIS A 81 -3.652 -2.850 -4.263 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.923 -4.407 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.739 -2.369 -3.681 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.105 -3.565 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.261 -2.158 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.235 -4.955 -2.539 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.556 -3.057 -0.987 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.599 -5.808 -5.226 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.638 -7.076 -5.969 1.00 0.00 C ATOM 1168 C ALA A 82 -3.544 -8.068 -5.543 1.00 0.00 C ATOM 1169 O ALA A 82 -3.672 -9.272 -5.784 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.539 -6.803 -7.462 1.00 0.00 C ATOM 0 H ALA A 82 -4.293 -5.013 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.592 -7.547 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.568 -7.746 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.375 -6.178 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.602 -6.289 -7.677 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.473 -7.556 -4.912 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.344 -8.388 -4.480 1.00 0.00 C ATOM 1178 C ALA A 83 -1.611 -9.026 -3.123 1.00 0.00 C ATOM 1179 O ALA A 83 -1.177 -10.150 -2.854 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.073 -7.552 -4.424 1.00 0.00 C ATOM 0 H ALA A 83 -2.369 -6.566 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.218 -9.189 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.760 -8.177 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.139 -7.146 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.207 -6.734 -3.716 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.327 -8.283 -2.284 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.668 -8.720 -0.938 1.00 0.00 C ATOM 1188 C PHE A 84 -4.114 -9.231 -0.840 1.00 0.00 C ATOM 1189 O PHE A 84 -4.557 -9.647 0.237 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.450 -7.553 0.022 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.003 -7.226 0.272 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.322 -6.347 -0.557 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.323 -7.797 1.336 1.00 0.00 C ATOM 1194 CE1 PHE A 84 1.007 -6.046 -0.330 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.007 -7.498 1.568 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.672 -6.622 0.734 1.00 0.00 C ATOM 0 H PHE A 84 -2.687 -7.359 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.023 -9.557 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.947 -6.669 -0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.929 -7.785 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.837 -5.892 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.838 -8.484 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.525 -5.361 -0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.525 -7.950 2.401 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.711 -6.388 0.913 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.841 -9.210 -1.972 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.240 -9.666 -2.023 1.00 0.00 C ATOM 1208 C ILE A 85 -6.405 -11.213 -1.864 1.00 0.00 C ATOM 1209 O ILE A 85 -7.423 -11.638 -1.309 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.975 -9.123 -3.306 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.505 -9.194 -3.150 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.545 -9.840 -4.586 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.109 -8.028 -2.388 1.00 0.00 C ATOM 0 H ILE A 85 -4.480 -8.880 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.727 -9.234 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.676 -8.079 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.958 -9.240 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.764 -10.121 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.085 -9.423 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.474 -9.706 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.769 -10.903 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.190 -8.156 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.687 -7.992 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.884 -7.097 -2.909 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.439 -12.090 -2.327 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.576 -13.563 -2.179 1.00 0.00 C ATOM 1227 C PRO A 86 -5.710 -14.032 -0.722 1.00 0.00 C ATOM 1228 O PRO A 86 -6.247 -15.114 -0.464 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.279 -14.119 -2.783 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.794 -13.051 -3.694 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.174 -11.757 -3.038 1.00 0.00 C ATOM 0 HA PRO A 86 -6.487 -13.910 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.545 -14.341 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.461 -15.047 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.715 -13.117 -3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.251 -13.140 -4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.403 -11.415 -2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.321 -10.963 -3.770 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.219 -13.210 0.222 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.271 -13.535 1.658 1.00 0.00 C ATOM 1241 C PHE A 87 -6.660 -13.291 2.256 1.00 0.00 C ATOM 1242 O PHE A 87 -7.068 -13.990 3.189 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.232 -12.713 2.439 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.818 -12.875 1.942 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.077 -14.004 2.262 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.236 -11.897 1.149 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.785 -14.155 1.799 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.944 -12.044 0.686 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.218 -13.175 1.010 1.00 0.00 C ATOM 0 H PHE A 87 -4.780 -12.313 0.015 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.043 -14.597 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.505 -11.659 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.272 -13.001 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.516 -14.773 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.799 -11.012 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.219 -15.039 2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.500 -11.275 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.792 -13.292 0.646 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.376 -12.300 1.710 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.708 -11.971 2.197 1.00 0.00 C ATOM 1261 C GLY A 88 -9.239 -10.671 1.625 1.00 0.00 C ATOM 1262 O GLY A 88 -8.728 -10.175 0.615 1.00 0.00 O ATOM 0 H GLY A 88 -7.052 -11.720 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.393 -12.780 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.685 -11.902 3.285 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.270 -10.125 2.280 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.904 -8.871 1.857 1.00 0.00 C ATOM 1268 C ASP A 89 -10.139 -7.649 2.366 1.00 0.00 C ATOM 1269 O ASP A 89 -9.759 -7.589 3.539 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.352 -8.812 2.360 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.267 -9.828 1.688 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.136 -10.038 0.460 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.114 -10.416 2.392 1.00 0.00 O ATOM 0 H ASP A 89 -10.687 -10.538 3.114 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.891 -8.852 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.362 -8.981 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.747 -7.810 2.191 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.924 -6.682 1.468 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.219 -5.442 1.803 1.00 0.00 C ATOM 1280 C ILE A 90 -10.188 -4.263 1.687 1.00 0.00 C ATOM 1281 O ILE A 90 -10.998 -4.208 0.757 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.970 -5.207 0.895 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.036 -6.429 0.935 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.202 -3.950 1.328 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.252 -6.649 -0.344 1.00 0.00 C ATOM 0 H ILE A 90 -10.231 -6.736 0.497 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.855 -5.528 2.827 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.323 -5.062 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.336 -6.311 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.629 -7.320 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.337 -3.810 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.856 -3.081 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.867 -4.065 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.618 -7.529 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.943 -6.800 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.630 -5.776 -0.544 1.00 0.00 H new ATOM 1297 N THR A 91 -10.089 -3.331 2.639 1.00 0.00 N ATOM 1298 CA THR A 91 -10.957 -2.154 2.670 1.00 0.00 C ATOM 1299 C THR A 91 -10.361 -0.971 1.898 1.00 0.00 C ATOM 1300 O THR A 91 -10.950 -0.523 0.909 1.00 0.00 O ATOM 1301 CB THR A 91 -11.281 -1.721 4.120 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.206 -2.072 5.000 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.567 -2.376 4.603 1.00 0.00 C ATOM 0 H THR A 91 -9.412 -3.371 3.401 1.00 0.00 H new ATOM 0 HA THR A 91 -11.883 -2.450 2.176 1.00 0.00 H new ATOM 0 HB THR A 91 -11.411 -0.639 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.571 -2.417 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.776 -2.058 5.624 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.392 -2.080 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.456 -3.460 4.576 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.195 -0.466 2.348 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.543 0.683 1.696 1.00 0.00 C ATOM 1313 C ASP A 92 -7.016 0.605 1.766 1.00 0.00 C ATOM 1314 O ASP A 92 -6.456 -0.034 2.662 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.001 2.003 2.348 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.462 2.336 2.078 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.918 2.157 0.926 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.151 2.776 3.022 1.00 0.00 O ATOM 0 H ASP A 92 -8.690 -0.834 3.154 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.840 0.654 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.843 1.942 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.377 2.817 1.980 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.362 1.268 0.801 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.897 1.344 0.733 1.00 0.00 C ATOM 1325 C ILE A 93 -4.481 2.812 0.882 1.00 0.00 C ATOM 1326 O ILE A 93 -4.954 3.669 0.128 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.324 0.756 -0.610 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.812 -0.696 -0.900 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.792 0.803 -0.633 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.757 -1.671 0.275 1.00 0.00 C ATOM 0 H ILE A 93 -6.834 1.766 0.047 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.485 0.739 1.540 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.715 1.396 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.841 -0.647 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.211 -1.104 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.429 0.389 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.458 1.836 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.397 0.217 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.120 -2.648 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.728 -1.763 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.383 -1.299 1.086 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.601 3.092 1.848 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.138 4.461 2.098 1.00 0.00 C ATOM 1344 C GLN A 94 -1.623 4.586 1.957 1.00 0.00 C ATOM 1345 O GLN A 94 -0.866 3.820 2.562 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.572 4.928 3.497 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.084 5.101 3.667 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.635 6.335 2.969 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.205 7.460 3.231 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.595 6.128 2.075 1.00 0.00 N ATOM 0 H GLN A 94 -3.196 2.391 2.468 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.598 5.100 1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.216 4.208 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.083 5.877 3.718 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.589 4.217 3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.318 5.160 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.922 5.180 1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.005 6.917 1.575 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.200 5.563 1.148 1.00 0.00 N ATOM 1360 CA ILE A 95 0.222 5.836 0.907 1.00 0.00 C ATOM 1361 C ILE A 95 0.516 7.330 1.163 1.00 0.00 C ATOM 1362 O ILE A 95 -0.036 8.181 0.459 1.00 0.00 O ATOM 1363 CB ILE A 95 0.664 5.470 -0.549 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.023 4.190 -1.041 1.00 0.00 C ATOM 1365 CG2 ILE A 95 2.181 5.305 -0.640 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.244 4.450 -1.892 1.00 0.00 C ATOM 0 H ILE A 95 -1.831 6.185 0.643 1.00 0.00 H new ATOM 0 HA ILE A 95 0.790 5.209 1.594 1.00 0.00 H new ATOM 0 HB ILE A 95 0.358 6.297 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.692 3.601 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.312 3.588 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.459 5.051 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.666 6.238 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.501 4.508 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.679 3.500 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.978 5.012 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.958 5.025 -2.772 1.00 0.00 H new ATOM 1378 N PRO A 96 1.378 7.691 2.174 1.00 0.00 N ATOM 1379 CA PRO A 96 1.715 9.106 2.457 1.00 0.00 C ATOM 1380 C PRO A 96 2.356 9.807 1.252 1.00 0.00 C ATOM 1381 O PRO A 96 3.392 9.363 0.741 1.00 0.00 O ATOM 1382 CB PRO A 96 2.713 9.024 3.621 1.00 0.00 C ATOM 1383 CG PRO A 96 2.473 7.693 4.244 1.00 0.00 C ATOM 1384 CD PRO A 96 2.066 6.779 3.123 1.00 0.00 C ATOM 0 HA PRO A 96 0.824 9.690 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.740 9.114 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.551 9.830 4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.372 7.326 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.692 7.752 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.929 6.296 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.404 5.986 3.470 1.00 0.00 H new ATOM 1392 N LEU A 97 1.721 10.894 0.802 1.00 0.00 N ATOM 1393 CA LEU A 97 2.205 11.656 -0.349 1.00 0.00 C ATOM 1394 C LEU A 97 2.340 13.141 -0.011 1.00 0.00 C ATOM 1395 O LEU A 97 1.442 13.728 0.600 1.00 0.00 O ATOM 1396 CB LEU A 97 1.249 11.472 -1.533 1.00 0.00 C ATOM 1397 CG LEU A 97 1.870 11.674 -2.917 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.213 10.333 -3.547 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.927 12.464 -3.813 1.00 0.00 C ATOM 0 H LEU A 97 0.868 11.265 1.220 1.00 0.00 H new ATOM 0 HA LEU A 97 3.192 11.280 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.828 10.468 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.420 12.170 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 97 2.792 12.244 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.654 10.495 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.925 9.805 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.306 9.737 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.384 12.599 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.012 11.921 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.732 13.439 -3.366 1.00 0.00 H new ATOM 1411 N ASP A 98 3.471 13.734 -0.413 1.00 0.00 N ATOM 1412 CA ASP A 98 3.739 15.157 -0.181 1.00 0.00 C ATOM 1413 C ASP A 98 3.264 15.989 -1.369 1.00 0.00 C ATOM 1414 O ASP A 98 3.367 15.551 -2.514 1.00 0.00 O ATOM 1415 CB ASP A 98 5.235 15.407 0.057 1.00 0.00 C ATOM 1416 CG ASP A 98 5.756 14.723 1.308 1.00 0.00 C ATOM 1417 OD1 ASP A 98 6.203 13.561 1.208 1.00 0.00 O ATOM 1418 OD2 ASP A 98 5.719 15.351 2.387 1.00 0.00 O ATOM 0 H ASP A 98 4.220 13.245 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 98 3.190 15.457 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.799 15.054 -0.806 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.411 16.480 0.135 1.00 0.00 H new ATOM 1423 N TYR A 99 2.730 17.182 -1.086 1.00 0.00 N ATOM 1424 CA TYR A 99 2.231 18.098 -2.128 1.00 0.00 C ATOM 1425 C TYR A 99 3.343 18.607 -3.057 1.00 0.00 C ATOM 1426 O TYR A 99 3.116 18.832 -4.248 1.00 0.00 O ATOM 1427 CB TYR A 99 1.525 19.298 -1.483 1.00 0.00 C ATOM 1428 CG TYR A 99 0.243 18.947 -0.758 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.916 18.669 -1.466 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.193 18.902 0.630 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.094 18.354 -0.815 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -0.981 18.587 1.290 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.121 18.313 0.563 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.290 18.001 1.217 1.00 0.00 O ATOM 0 H TYR A 99 2.630 17.542 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 99 1.530 17.525 -2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.209 19.773 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.302 20.033 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.898 18.699 -2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.084 19.116 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.988 18.141 -1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.005 18.556 2.369 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.137 18.015 2.185 1.00 0.00 H new ATOM 1444 N GLU A 100 4.541 18.778 -2.485 1.00 0.00 N ATOM 1445 CA GLU A 100 5.716 19.289 -3.210 1.00 0.00 C ATOM 1446 C GLU A 100 6.287 18.286 -4.238 1.00 0.00 C ATOM 1447 O GLU A 100 6.537 18.659 -5.388 1.00 0.00 O ATOM 1448 CB GLU A 100 6.802 19.685 -2.189 1.00 0.00 C ATOM 1449 CG GLU A 100 7.904 20.602 -2.736 1.00 0.00 C ATOM 1450 CD GLU A 100 7.459 22.047 -2.956 1.00 0.00 C ATOM 1451 OE1 GLU A 100 6.567 22.527 -2.219 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.007 22.697 -3.870 1.00 0.00 O ATOM 0 H GLU A 100 4.726 18.566 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 100 5.393 20.157 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.322 20.182 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.265 18.777 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.746 20.594 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.264 20.196 -3.681 1.00 0.00 H new ATOM 1459 N THR A 101 6.488 17.031 -3.817 1.00 0.00 N ATOM 1460 CA THR A 101 7.061 15.999 -4.698 1.00 0.00 C ATOM 1461 C THR A 101 6.011 15.066 -5.288 1.00 0.00 C ATOM 1462 O THR A 101 6.202 14.543 -6.387 1.00 0.00 O ATOM 1463 CB THR A 101 8.114 15.151 -3.949 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.575 14.683 -2.706 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.384 15.951 -3.688 1.00 0.00 C ATOM 0 H THR A 101 6.264 16.704 -2.877 1.00 0.00 H new ATOM 0 HA THR A 101 7.529 16.542 -5.519 1.00 0.00 H new ATOM 0 HB THR A 101 8.369 14.300 -4.580 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.248 14.145 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.105 15.327 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.811 16.275 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.146 16.824 -3.080 1.00 0.00 H new ATOM 1473 N GLU A 102 4.885 14.877 -4.573 1.00 0.00 N ATOM 1474 CA GLU A 102 3.785 13.976 -5.008 1.00 0.00 C ATOM 1475 C GLU A 102 4.291 12.535 -5.245 1.00 0.00 C ATOM 1476 O GLU A 102 3.678 11.754 -5.985 1.00 0.00 O ATOM 1477 CB GLU A 102 3.081 14.521 -6.271 1.00 0.00 C ATOM 1478 CG GLU A 102 2.297 15.805 -6.036 1.00 0.00 C ATOM 1479 CD GLU A 102 1.556 16.272 -7.274 1.00 0.00 C ATOM 1480 OE1 GLU A 102 2.214 16.808 -8.192 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.321 16.101 -7.327 1.00 0.00 O ATOM 0 H GLU A 102 4.707 15.339 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 102 3.055 13.945 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.829 14.700 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.403 13.758 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.583 15.647 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.980 16.589 -5.709 1.00 0.00 H new ATOM 1488 N LYS A 103 5.410 12.194 -4.586 1.00 0.00 N ATOM 1489 CA LYS A 103 6.034 10.873 -4.713 1.00 0.00 C ATOM 1490 C LYS A 103 6.122 10.188 -3.348 1.00 0.00 C ATOM 1491 O LYS A 103 6.112 10.859 -2.311 1.00 0.00 O ATOM 1492 CB LYS A 103 7.450 10.984 -5.316 1.00 0.00 C ATOM 1493 CG LYS A 103 7.565 11.897 -6.536 1.00 0.00 C ATOM 1494 CD LYS A 103 8.718 11.482 -7.437 1.00 0.00 C ATOM 1495 CE LYS A 103 8.858 12.419 -8.625 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.912 11.961 -9.573 1.00 0.00 N ATOM 0 H LYS A 103 5.903 12.825 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 103 5.411 10.278 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.129 11.347 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.789 9.986 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.633 11.870 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.710 12.927 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.646 11.477 -6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.557 10.464 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.904 12.487 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.099 13.421 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.976 12.627 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.827 11.920 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.669 11.015 -9.931 1.00 0.00 H new ATOM 1510 N HIS A 104 6.209 8.851 -3.357 1.00 0.00 N ATOM 1511 CA HIS A 104 6.311 8.074 -2.119 1.00 0.00 C ATOM 1512 C HIS A 104 7.707 7.453 -1.975 1.00 0.00 C ATOM 1513 O HIS A 104 8.432 7.303 -2.963 1.00 0.00 O ATOM 1514 CB HIS A 104 5.210 6.991 -2.057 1.00 0.00 C ATOM 1515 CG HIS A 104 5.296 5.925 -3.116 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.681 4.627 -2.846 1.00 0.00 N ATOM 1517 CD2 HIS A 104 5.034 5.968 -4.445 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.653 3.918 -3.961 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.263 4.708 -4.946 1.00 0.00 N ATOM 0 H HIS A 104 6.211 8.288 -4.207 1.00 0.00 H new ATOM 0 HA HIS A 104 6.160 8.753 -1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 104 5.249 6.512 -1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 104 4.238 7.479 -2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.706 6.831 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.906 2.872 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.150 4.428 -5.920 1.00 0.00 H new ATOM 1528 N ARG A 105 8.067 7.096 -0.735 1.00 0.00 N ATOM 1529 CA ARG A 105 9.375 6.493 -0.438 1.00 0.00 C ATOM 1530 C ARG A 105 9.352 4.964 -0.589 1.00 0.00 C ATOM 1531 O ARG A 105 10.357 4.291 -0.328 1.00 0.00 O ATOM 1532 CB ARG A 105 9.835 6.877 0.977 1.00 0.00 C ATOM 1533 CG ARG A 105 10.176 8.353 1.138 1.00 0.00 C ATOM 1534 CD ARG A 105 10.757 8.643 2.512 1.00 0.00 C ATOM 1535 NE ARG A 105 10.969 10.078 2.727 1.00 0.00 N ATOM 1536 CZ ARG A 105 12.161 10.693 2.676 1.00 0.00 C ATOM 1537 NH1 ARG A 105 13.275 10.013 2.412 1.00 0.00 N ATOM 1538 NH2 ARG A 105 12.234 11.998 2.890 1.00 0.00 N ATOM 0 H ARG A 105 7.468 7.215 0.082 1.00 0.00 H new ATOM 0 HA ARG A 105 10.085 6.886 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.050 6.617 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.710 6.282 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.891 8.648 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.279 8.953 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 105 10.085 8.257 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.704 8.116 2.624 1.00 0.00 H new ATOM 0 HE ARG A 105 10.150 10.651 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.231 9.008 2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.172 10.497 2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.387 12.530 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.137 12.471 2.853 1.00 0.00 H new ATOM 1552 N GLY A 106 8.205 4.425 -1.029 1.00 0.00 N ATOM 1553 CA GLY A 106 8.065 2.987 -1.217 1.00 0.00 C ATOM 1554 C GLY A 106 7.462 2.274 -0.021 1.00 0.00 C ATOM 1555 O GLY A 106 7.856 1.145 0.286 1.00 0.00 O ATOM 0 H GLY A 106 7.371 4.965 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.442 2.802 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.045 2.559 -1.428 1.00 0.00 H new ATOM 1559 N PHE A 107 6.526 2.942 0.669 1.00 0.00 N ATOM 1560 CA PHE A 107 5.832 2.349 1.817 1.00 0.00 C ATOM 1561 C PHE A 107 4.371 2.795 1.862 1.00 0.00 C ATOM 1562 O PHE A 107 4.043 3.918 1.466 1.00 0.00 O ATOM 1563 CB PHE A 107 6.545 2.647 3.165 1.00 0.00 C ATOM 1564 CG PHE A 107 6.914 4.096 3.442 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.949 5.096 3.485 1.00 0.00 C ATOM 1566 CD2 PHE A 107 8.236 4.445 3.691 1.00 0.00 C ATOM 1567 CE1 PHE A 107 6.295 6.404 3.762 1.00 0.00 C ATOM 1568 CE2 PHE A 107 8.584 5.756 3.968 1.00 0.00 C ATOM 1569 CZ PHE A 107 7.613 6.733 4.004 1.00 0.00 C ATOM 0 H PHE A 107 6.233 3.894 0.450 1.00 0.00 H new ATOM 0 HA PHE A 107 5.861 1.268 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.901 2.300 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.457 2.051 3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.915 4.847 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 107 9.002 3.684 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.534 7.170 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 107 9.616 6.013 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.883 7.756 4.222 1.00 0.00 H new ATOM 1579 N ALA A 108 3.506 1.897 2.349 1.00 0.00 N ATOM 1580 CA ALA A 108 2.061 2.148 2.456 1.00 0.00 C ATOM 1581 C ALA A 108 1.442 1.279 3.555 1.00 0.00 C ATOM 1582 O ALA A 108 2.105 0.389 4.092 1.00 0.00 O ATOM 1583 CB ALA A 108 1.374 1.869 1.121 1.00 0.00 C ATOM 0 H ALA A 108 3.787 0.974 2.681 1.00 0.00 H new ATOM 0 HA ALA A 108 1.915 3.196 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.305 2.059 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.792 2.520 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.534 0.828 0.840 1.00 0.00 H new ATOM 1589 N PHE A 109 0.182 1.562 3.904 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.537 0.779 4.912 1.00 0.00 C ATOM 1591 C PHE A 109 -1.727 0.089 4.259 1.00 0.00 C ATOM 1592 O PHE A 109 -2.359 0.653 3.361 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.020 1.655 6.077 1.00 0.00 C ATOM 1594 CG PHE A 109 0.075 2.426 6.764 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.784 1.867 7.815 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.393 3.709 6.354 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.790 2.574 8.444 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.397 4.422 6.979 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.097 3.855 8.025 1.00 0.00 C ATOM 0 H PHE A 109 -0.360 2.327 3.503 1.00 0.00 H new ATOM 0 HA PHE A 109 0.151 0.038 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.765 2.358 5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.519 1.022 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.547 0.867 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.150 4.158 5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.336 2.127 9.262 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.634 5.423 6.650 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.883 4.411 8.515 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.028 -1.125 4.717 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.143 -1.897 4.172 1.00 0.00 C ATOM 1611 C VAL A 110 -4.183 -2.184 5.267 1.00 0.00 C ATOM 1612 O VAL A 110 -3.834 -2.601 6.374 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.636 -3.210 3.475 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.924 -4.156 4.445 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.767 -3.937 2.747 1.00 0.00 C ATOM 0 H VAL A 110 -1.516 -1.595 5.464 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.634 -1.303 3.401 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.901 -2.893 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.595 -5.046 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.059 -3.652 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.610 -4.444 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.376 -4.840 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.545 -4.207 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.187 -3.283 1.982 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.453 -1.951 4.925 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.563 -2.162 5.850 1.00 0.00 C ATOM 1627 C GLU A 111 -7.374 -3.391 5.442 1.00 0.00 C ATOM 1628 O GLU A 111 -7.805 -3.504 4.292 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.460 -0.918 5.872 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.041 -0.591 7.241 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.465 -0.077 7.164 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.662 1.063 6.694 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.386 -0.816 7.574 1.00 0.00 O ATOM 0 H GLU A 111 -5.737 -1.613 4.005 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.162 -2.332 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.884 -0.062 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.279 -1.062 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.015 -1.484 7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.415 0.157 7.728 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.571 -4.303 6.397 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.329 -5.530 6.161 1.00 0.00 C ATOM 1642 C PHE A 112 -9.620 -5.546 6.969 1.00 0.00 C ATOM 1643 O PHE A 112 -9.647 -5.095 8.117 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.487 -6.758 6.513 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.547 -7.194 5.422 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.256 -6.696 5.350 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.959 -8.118 4.473 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.396 -7.111 4.350 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -6.104 -8.533 3.473 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.822 -8.030 3.413 1.00 0.00 C ATOM 0 H PHE A 112 -7.212 -4.212 7.347 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.583 -5.560 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.908 -6.543 7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.154 -7.585 6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.918 -5.977 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.961 -8.517 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.392 -6.716 4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.438 -9.251 2.739 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.151 -8.355 2.632 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.691 -6.071 6.353 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.009 -6.179 7.000 1.00 0.00 C ATOM 1662 C GLU A 113 -11.963 -7.194 8.158 1.00 0.00 C ATOM 1663 O GLU A 113 -12.601 -6.993 9.195 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.067 -6.585 5.959 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.510 -6.396 6.413 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.518 -6.934 5.412 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.528 -8.161 5.175 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.298 -6.125 4.866 1.00 0.00 O ATOM 0 H GLU A 113 -10.669 -6.431 5.399 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.280 -5.209 7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.906 -6.003 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.917 -7.632 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.653 -6.897 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.698 -5.335 6.577 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.199 -8.274 7.953 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.032 -9.322 8.962 1.00 0.00 C ATOM 1677 C LEU A 114 -9.690 -9.194 9.660 1.00 0.00 C ATOM 1678 O LEU A 114 -8.676 -8.901 9.025 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.116 -10.719 8.321 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.524 -11.295 8.144 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.156 -10.796 6.852 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.469 -12.816 8.160 1.00 0.00 C ATOM 0 H LEU A 114 -10.684 -8.444 7.089 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.836 -9.201 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.637 -10.677 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.536 -11.412 8.931 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.144 -10.956 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.155 -11.219 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.223 -9.708 6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.543 -11.103 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.474 -13.218 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.834 -13.166 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.060 -13.155 9.112 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.698 -9.398 10.979 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.469 -9.378 11.778 1.00 0.00 C ATOM 1696 C ALA A 115 -7.690 -10.680 11.542 1.00 0.00 C ATOM 1697 O ALA A 115 -6.487 -10.766 11.798 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.794 -9.211 13.256 1.00 0.00 C ATOM 0 H ALA A 115 -10.544 -9.580 11.519 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.856 -8.531 11.471 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.869 -9.198 13.833 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.329 -8.273 13.407 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.417 -10.042 13.588 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.432 -11.685 11.039 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.913 -13.019 10.726 1.00 0.00 C ATOM 1706 C GLU A 116 -7.013 -13.003 9.472 1.00 0.00 C ATOM 1707 O GLU A 116 -5.877 -13.493 9.507 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.122 -13.959 10.529 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.773 -15.418 10.304 1.00 0.00 C ATOM 1710 CD GLU A 116 -9.988 -16.280 10.015 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -10.624 -16.079 8.957 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -10.305 -17.156 10.847 1.00 0.00 O ATOM 0 H GLU A 116 -9.427 -11.585 10.837 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.287 -13.371 11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.765 -13.887 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.703 -13.605 9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.074 -15.494 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.262 -15.804 11.186 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.528 -12.414 8.378 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.787 -12.324 7.110 1.00 0.00 C ATOM 1721 C ASP A 117 -5.593 -11.363 7.211 1.00 0.00 C ATOM 1722 O ASP A 117 -4.570 -11.564 6.550 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.730 -11.962 5.935 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.507 -10.657 6.098 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.000 -9.728 6.757 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.630 -10.571 5.560 1.00 0.00 O ATOM 0 H ASP A 117 -8.457 -11.993 8.348 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.373 -13.310 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.138 -11.901 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.443 -12.775 5.799 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.742 -10.319 8.046 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.690 -9.321 8.271 1.00 0.00 C ATOM 1733 C ALA A 118 -3.464 -9.943 8.947 1.00 0.00 C ATOM 1734 O ALA A 118 -2.323 -9.694 8.538 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.236 -8.184 9.118 1.00 0.00 C ATOM 0 H ALA A 118 -6.594 -10.147 8.580 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.374 -8.934 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.452 -7.445 9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.074 -7.716 8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.574 -8.575 10.078 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.716 -10.766 9.983 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.653 -11.467 10.713 1.00 0.00 C ATOM 1743 C ALA A 119 -1.967 -12.478 9.795 1.00 0.00 C ATOM 1744 O ALA A 119 -0.771 -12.760 9.938 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.220 -12.160 11.943 1.00 0.00 C ATOM 0 H ALA A 119 -4.655 -10.960 10.332 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.914 -10.737 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.418 -12.675 12.473 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.673 -11.419 12.602 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.976 -12.883 11.637 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.753 -13.007 8.843 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.263 -13.971 7.849 1.00 0.00 C ATOM 1753 C ALA A 120 -1.289 -13.307 6.870 1.00 0.00 C ATOM 1754 O ALA A 120 -0.310 -13.925 6.434 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.433 -14.584 7.091 1.00 0.00 C ATOM 0 H ALA A 120 -3.742 -12.778 8.742 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.728 -14.760 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.057 -15.297 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.092 -15.097 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.989 -13.797 6.581 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.570 -12.032 6.546 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.738 -11.242 5.631 1.00 0.00 C ATOM 1763 C ALA A 121 0.641 -10.948 6.227 1.00 0.00 C ATOM 1764 O ALA A 121 1.644 -10.989 5.516 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.445 -9.944 5.259 1.00 0.00 C ATOM 0 H ALA A 121 -2.377 -11.526 6.911 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.586 -11.835 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.816 -9.369 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.392 -10.173 4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.634 -9.361 6.161 1.00 0.00 H new ATOM 1771 N ILE A 122 0.686 -10.653 7.540 1.00 0.00 N ATOM 1772 CA ILE A 122 1.959 -10.373 8.233 1.00 0.00 C ATOM 1773 C ILE A 122 2.825 -11.641 8.347 1.00 0.00 C ATOM 1774 O ILE A 122 4.053 -11.562 8.290 1.00 0.00 O ATOM 1775 CB ILE A 122 1.739 -9.728 9.642 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.075 -8.347 9.489 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.066 -9.588 10.409 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.335 -7.865 10.722 1.00 0.00 C ATOM 0 H ILE A 122 -0.138 -10.602 8.139 1.00 0.00 H new ATOM 0 HA ILE A 122 2.492 -9.645 7.622 1.00 0.00 H new ATOM 0 HB ILE A 122 1.086 -10.386 10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.841 -7.616 9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.377 -8.384 8.653 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.877 -9.137 11.383 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.513 -10.573 10.546 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.749 -8.955 9.842 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.101 -6.886 10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.457 -8.571 10.970 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.030 -7.791 11.558 1.00 0.00 H new ATOM 1790 N ASP A 123 2.170 -12.798 8.503 1.00 0.00 N ATOM 1791 CA ASP A 123 2.864 -14.086 8.628 1.00 0.00 C ATOM 1792 C ASP A 123 3.557 -14.527 7.326 1.00 0.00 C ATOM 1793 O ASP A 123 4.642 -15.114 7.372 1.00 0.00 O ATOM 1794 CB ASP A 123 1.875 -15.166 9.079 1.00 0.00 C ATOM 1795 CG ASP A 123 2.528 -16.238 9.935 1.00 0.00 C ATOM 1796 OD1 ASP A 123 2.559 -16.072 11.171 1.00 0.00 O ATOM 1797 OD2 ASP A 123 3.008 -17.241 9.366 1.00 0.00 O ATOM 0 H ASP A 123 1.153 -12.868 8.546 1.00 0.00 H new ATOM 0 HA ASP A 123 3.647 -13.952 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.066 -14.700 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.426 -15.631 8.201 1.00 0.00 H new ATOM 1802 N ASN A 124 2.930 -14.239 6.174 1.00 0.00 N ATOM 1803 CA ASN A 124 3.479 -14.653 4.873 1.00 0.00 C ATOM 1804 C ASN A 124 4.133 -13.520 4.066 1.00 0.00 C ATOM 1805 O ASN A 124 5.119 -13.765 3.367 1.00 0.00 O ATOM 1806 CB ASN A 124 2.379 -15.303 4.028 1.00 0.00 C ATOM 1807 CG ASN A 124 1.956 -16.663 4.554 1.00 0.00 C ATOM 1808 OD1 ASN A 124 2.786 -17.550 4.761 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.658 -16.834 4.773 1.00 0.00 N ATOM 0 H ASN A 124 2.050 -13.726 6.117 1.00 0.00 H new ATOM 0 HA ASN A 124 4.274 -15.362 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.511 -14.644 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.731 -15.409 3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.314 -17.727 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.005 -16.073 4.588 1.00 0.00 H new ATOM 1816 N MET A 125 3.600 -12.294 4.161 1.00 0.00 N ATOM 1817 CA MET A 125 4.121 -11.157 3.374 1.00 0.00 C ATOM 1818 C MET A 125 5.206 -10.343 4.093 1.00 0.00 C ATOM 1819 O MET A 125 5.723 -9.374 3.522 1.00 0.00 O ATOM 1820 CB MET A 125 2.973 -10.227 2.952 1.00 0.00 C ATOM 1821 CG MET A 125 2.014 -10.844 1.940 1.00 0.00 C ATOM 1822 SD MET A 125 2.806 -11.263 0.370 1.00 0.00 S ATOM 1823 CE MET A 125 2.889 -9.660 -0.430 1.00 0.00 C ATOM 0 H MET A 125 2.815 -12.061 4.769 1.00 0.00 H new ATOM 0 HA MET A 125 4.595 -11.599 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.411 -9.936 3.839 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.395 -9.316 2.528 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.574 -11.744 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.197 -10.148 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.656 -9.679 -1.204 1.00 0.00 H new ATOM 0 HE2 MET A 125 1.924 -9.428 -0.881 1.00 0.00 H new ATOM 0 HE3 MET A 125 3.137 -8.897 0.308 1.00 0.00 H new ATOM 1833 N ASN A 126 5.574 -10.737 5.325 1.00 0.00 N ATOM 1834 CA ASN A 126 6.606 -10.021 6.108 1.00 0.00 C ATOM 1835 C ASN A 126 7.942 -9.931 5.342 1.00 0.00 C ATOM 1836 O ASN A 126 8.645 -8.919 5.422 1.00 0.00 O ATOM 1837 CB ASN A 126 6.822 -10.718 7.458 1.00 0.00 C ATOM 1838 CG ASN A 126 7.422 -9.801 8.516 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.421 -9.120 8.275 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.813 -9.784 9.696 1.00 0.00 N ATOM 0 H ASN A 126 5.175 -11.545 5.802 1.00 0.00 H new ATOM 0 HA ASN A 126 6.248 -9.005 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.868 -11.102 7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.478 -11.577 7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.170 -9.191 10.446 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.988 -10.364 9.853 1.00 0.00 H new ATOM 1847 N GLU A 127 8.268 -11.004 4.608 1.00 0.00 N ATOM 1848 CA GLU A 127 9.497 -11.079 3.808 1.00 0.00 C ATOM 1849 C GLU A 127 9.214 -11.778 2.474 1.00 0.00 C ATOM 1850 O GLU A 127 9.629 -12.921 2.239 1.00 0.00 O ATOM 1851 CB GLU A 127 10.614 -11.798 4.583 1.00 0.00 C ATOM 1852 CG GLU A 127 11.174 -10.977 5.731 1.00 0.00 C ATOM 1853 CD GLU A 127 12.195 -11.736 6.554 1.00 0.00 C ATOM 1854 OE1 GLU A 127 11.785 -12.604 7.354 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.404 -11.464 6.401 1.00 0.00 O ATOM 0 H GLU A 127 7.689 -11.842 4.553 1.00 0.00 H new ATOM 0 HA GLU A 127 9.840 -10.065 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.228 -12.739 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.422 -12.046 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.635 -10.073 5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.356 -10.660 6.378 1.00 0.00 H new ATOM 1862 N SER A 128 8.485 -11.069 1.615 1.00 0.00 N ATOM 1863 CA SER A 128 8.106 -11.579 0.294 1.00 0.00 C ATOM 1864 C SER A 128 8.609 -10.664 -0.820 1.00 0.00 C ATOM 1865 O SER A 128 8.830 -9.471 -0.600 1.00 0.00 O ATOM 1866 CB SER A 128 6.586 -11.724 0.199 1.00 0.00 C ATOM 1867 OG SER A 128 6.099 -12.628 1.175 1.00 0.00 O ATOM 0 H SER A 128 8.141 -10.129 1.811 1.00 0.00 H new ATOM 0 HA SER A 128 8.571 -12.557 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.115 -10.750 0.334 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.312 -12.076 -0.796 1.00 0.00 H new ATOM 0 HG SER A 128 5.212 -12.949 0.910 1.00 0.00 H new ATOM 1873 N GLU A 129 8.799 -11.241 -2.014 1.00 0.00 N ATOM 1874 CA GLU A 129 9.267 -10.491 -3.175 1.00 0.00 C ATOM 1875 C GLU A 129 8.078 -9.999 -4.011 1.00 0.00 C ATOM 1876 O GLU A 129 7.277 -10.798 -4.509 1.00 0.00 O ATOM 1877 CB GLU A 129 10.194 -11.376 -4.017 1.00 0.00 C ATOM 1878 CG GLU A 129 11.153 -10.600 -4.907 1.00 0.00 C ATOM 1879 CD GLU A 129 11.948 -11.494 -5.841 1.00 0.00 C ATOM 1880 OE1 GLU A 129 11.331 -12.166 -6.695 1.00 0.00 O ATOM 1881 OE2 GLU A 129 13.191 -11.522 -5.718 1.00 0.00 O ATOM 0 H GLU A 129 8.633 -12.231 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 129 9.824 -9.617 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.771 -12.017 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.586 -12.031 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.589 -9.877 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.842 -10.032 -4.282 1.00 0.00 H new ATOM 1888 N LEU A 130 7.981 -8.674 -4.143 1.00 0.00 N ATOM 1889 CA LEU A 130 6.915 -8.031 -4.911 1.00 0.00 C ATOM 1890 C LEU A 130 7.512 -7.018 -5.888 1.00 0.00 C ATOM 1891 O LEU A 130 8.328 -6.178 -5.498 1.00 0.00 O ATOM 1892 CB LEU A 130 5.917 -7.346 -3.959 1.00 0.00 C ATOM 1893 CG LEU A 130 4.583 -6.904 -4.583 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.564 -8.036 -4.548 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.042 -5.678 -3.863 1.00 0.00 C ATOM 0 H LEU A 130 8.639 -8.019 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 130 6.380 -8.789 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.702 -8.029 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.401 -6.470 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 130 4.764 -6.644 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.629 -7.698 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.947 -8.888 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.385 -8.333 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.097 -5.377 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.881 -5.915 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.760 -4.862 -3.945 1.00 0.00 H new ATOM 1907 N PHE A 131 7.094 -7.106 -7.169 1.00 0.00 N ATOM 1908 CA PHE A 131 7.570 -6.208 -8.255 1.00 0.00 C ATOM 1909 C PHE A 131 9.092 -6.332 -8.499 1.00 0.00 C ATOM 1910 O PHE A 131 9.697 -5.481 -9.164 1.00 0.00 O ATOM 1911 CB PHE A 131 7.187 -4.740 -7.970 1.00 0.00 C ATOM 1912 CG PHE A 131 6.726 -3.986 -9.188 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.645 -3.385 -10.037 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.376 -3.878 -9.484 1.00 0.00 C ATOM 1915 CE1 PHE A 131 7.224 -2.692 -11.157 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.951 -3.186 -10.603 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.876 -2.593 -11.440 1.00 0.00 C ATOM 0 H PHE A 131 6.417 -7.800 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 131 7.068 -6.530 -9.168 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.396 -4.719 -7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 131 8.047 -4.227 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.700 -3.459 -9.820 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.648 -4.340 -8.833 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.949 -2.229 -11.810 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.896 -3.109 -10.823 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.545 -2.053 -12.315 1.00 0.00 H new ATOM 1927 N GLY A 132 9.692 -7.410 -7.971 1.00 0.00 N ATOM 1928 CA GLY A 132 11.125 -7.643 -8.129 1.00 0.00 C ATOM 1929 C GLY A 132 11.948 -7.164 -6.940 1.00 0.00 C ATOM 1930 O GLY A 132 13.181 -7.216 -6.979 1.00 0.00 O ATOM 0 H GLY A 132 9.205 -8.128 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.299 -8.709 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.471 -7.136 -9.030 1.00 0.00 H new ATOM 1934 N ARG A 133 11.264 -6.699 -5.887 1.00 0.00 N ATOM 1935 CA ARG A 133 11.924 -6.205 -4.674 1.00 0.00 C ATOM 1936 C ARG A 133 11.373 -6.901 -3.432 1.00 0.00 C ATOM 1937 O ARG A 133 10.232 -7.368 -3.434 1.00 0.00 O ATOM 1938 CB ARG A 133 11.728 -4.689 -4.527 1.00 0.00 C ATOM 1939 CG ARG A 133 12.418 -3.856 -5.598 1.00 0.00 C ATOM 1940 CD ARG A 133 12.236 -2.367 -5.342 1.00 0.00 C ATOM 1941 NE ARG A 133 13.122 -1.874 -4.280 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.649 -0.642 -4.234 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.395 0.252 -5.188 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.436 -0.303 -3.222 1.00 0.00 N ATOM 0 H ARG A 133 10.246 -6.655 -5.852 1.00 0.00 H new ATOM 0 HA ARG A 133 12.987 -6.425 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.660 -4.470 -4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.099 -4.381 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.481 -4.096 -5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.013 -4.111 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.432 -1.815 -6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.199 -2.171 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 133 13.354 -2.516 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.790 0.004 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.805 1.184 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.637 -0.978 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.840 0.633 -3.181 1.00 0.00 H new ATOM 1958 N THR A 134 12.191 -6.963 -2.371 1.00 0.00 N ATOM 1959 CA THR A 134 11.784 -7.585 -1.105 1.00 0.00 C ATOM 1960 C THR A 134 10.995 -6.577 -0.263 1.00 0.00 C ATOM 1961 O THR A 134 11.406 -5.419 -0.132 1.00 0.00 O ATOM 1962 CB THR A 134 13.004 -8.094 -0.295 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.045 -8.523 -1.183 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.620 -9.257 0.617 1.00 0.00 C ATOM 0 H THR A 134 13.140 -6.589 -2.366 1.00 0.00 H new ATOM 0 HA THR A 134 11.157 -8.444 -1.344 1.00 0.00 H new ATOM 0 HB THR A 134 13.357 -7.266 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.811 -8.841 -0.660 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.498 -9.590 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.851 -8.931 1.318 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.237 -10.081 0.015 1.00 0.00 H new ATOM 1972 N ILE A 135 9.870 -7.024 0.301 1.00 0.00 N ATOM 1973 CA ILE A 135 9.016 -6.149 1.112 1.00 0.00 C ATOM 1974 C ILE A 135 8.902 -6.635 2.561 1.00 0.00 C ATOM 1975 O ILE A 135 9.067 -7.824 2.848 1.00 0.00 O ATOM 1976 CB ILE A 135 7.590 -5.965 0.499 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.892 -7.318 0.231 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.668 -5.143 -0.788 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.413 -7.325 0.565 1.00 0.00 C ATOM 0 H ILE A 135 9.530 -7.981 0.212 1.00 0.00 H new ATOM 0 HA ILE A 135 9.510 -5.177 1.111 1.00 0.00 H new ATOM 0 HB ILE A 135 6.987 -5.429 1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.018 -7.578 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.389 -8.094 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.668 -5.023 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 135 8.090 -4.162 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.302 -5.657 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 135 4.996 -8.309 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.278 -7.097 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.901 -6.574 -0.036 1.00 0.00 H new ATOM 1991 N ARG A 136 8.617 -5.685 3.451 1.00 0.00 N ATOM 1992 CA ARG A 136 8.464 -5.944 4.876 1.00 0.00 C ATOM 1993 C ARG A 136 7.097 -5.449 5.348 1.00 0.00 C ATOM 1994 O ARG A 136 6.706 -4.320 5.043 1.00 0.00 O ATOM 1995 CB ARG A 136 9.603 -5.236 5.637 1.00 0.00 C ATOM 1996 CG ARG A 136 9.451 -5.222 7.156 1.00 0.00 C ATOM 1997 CD ARG A 136 10.766 -4.920 7.865 1.00 0.00 C ATOM 1998 NE ARG A 136 11.144 -3.505 7.754 1.00 0.00 N ATOM 1999 CZ ARG A 136 12.073 -3.026 6.914 1.00 0.00 C ATOM 2000 NH1 ARG A 136 12.748 -3.835 6.100 1.00 0.00 N ATOM 2001 NH2 ARG A 136 12.325 -1.724 6.892 1.00 0.00 N ATOM 0 H ARG A 136 8.485 -4.706 3.197 1.00 0.00 H new ATOM 0 HA ARG A 136 8.520 -7.015 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.545 -5.722 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.671 -4.207 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 136 8.709 -4.475 7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 136 9.074 -6.188 7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.680 -5.190 8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.556 -5.540 7.441 1.00 0.00 H new ATOM 0 HE ARG A 136 10.665 -2.838 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.562 -4.838 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 136 13.451 -3.452 5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.814 -1.095 7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.030 -1.352 6.256 1.00 0.00 H new ATOM 2015 N VAL A 137 6.378 -6.301 6.091 1.00 0.00 N ATOM 2016 CA VAL A 137 5.062 -5.928 6.614 1.00 0.00 C ATOM 2017 C VAL A 137 4.977 -6.207 8.121 1.00 0.00 C ATOM 2018 O VAL A 137 5.477 -7.227 8.604 1.00 0.00 O ATOM 2019 CB VAL A 137 3.864 -6.603 5.843 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.206 -6.906 4.388 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.352 -7.861 6.524 1.00 0.00 C ATOM 0 H VAL A 137 6.683 -7.242 6.340 1.00 0.00 H new ATOM 0 HA VAL A 137 4.959 -4.856 6.446 1.00 0.00 H new ATOM 0 HB VAL A 137 3.064 -5.863 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.348 -7.370 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.458 -5.979 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.057 -7.586 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.528 -8.278 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.157 -8.593 6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.003 -7.615 7.527 1.00 0.00 H new ATOM 2031 N ASN A 138 4.346 -5.275 8.846 1.00 0.00 N ATOM 2032 CA ASN A 138 4.170 -5.375 10.302 1.00 0.00 C ATOM 2033 C ASN A 138 2.825 -4.771 10.716 1.00 0.00 C ATOM 2034 O ASN A 138 2.135 -4.168 9.893 1.00 0.00 O ATOM 2035 CB ASN A 138 5.315 -4.657 11.040 1.00 0.00 C ATOM 2036 CG ASN A 138 6.657 -5.352 10.878 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.560 -4.834 10.220 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.797 -6.527 11.483 1.00 0.00 N ATOM 0 H ASN A 138 3.943 -4.430 8.441 1.00 0.00 H new ATOM 0 HA ASN A 138 4.187 -6.430 10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.394 -3.635 10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.072 -4.592 12.101 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.678 -7.035 11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 138 6.023 -6.920 12.018 1.00 0.00 H new ATOM 2045 N LEU A 139 2.450 -4.940 11.997 1.00 0.00 N ATOM 2046 CA LEU A 139 1.188 -4.396 12.524 1.00 0.00 C ATOM 2047 C LEU A 139 1.237 -2.866 12.590 1.00 0.00 C ATOM 2048 O LEU A 139 2.218 -2.290 13.068 1.00 0.00 O ATOM 2049 CB LEU A 139 0.906 -4.951 13.924 1.00 0.00 C ATOM 2050 CG LEU A 139 0.633 -6.457 13.999 1.00 0.00 C ATOM 2051 CD1 LEU A 139 1.101 -7.008 15.332 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -0.850 -6.748 13.799 1.00 0.00 C ATOM 0 H LEU A 139 3.004 -5.449 12.685 1.00 0.00 H new ATOM 0 HA LEU A 139 0.390 -4.698 11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.758 -4.723 14.564 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.046 -4.423 14.338 1.00 0.00 H new ATOM 0 HG LEU A 139 1.189 -6.947 13.200 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.902 -8.079 15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.171 -6.834 15.442 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.567 -6.508 16.140 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.021 -7.823 13.856 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.427 -6.247 14.576 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.164 -6.382 12.821 1.00 0.00 H new ATOM 2064 N ALA A 140 0.166 -2.227 12.104 1.00 0.00 N ATOM 2065 CA ALA A 140 0.067 -0.766 12.085 1.00 0.00 C ATOM 2066 C ALA A 140 -0.675 -0.244 13.311 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.623 -0.305 10.810 1.00 0.00 C ATOM 0 H ALA A 140 -0.648 -2.704 11.717 1.00 0.00 H new ATOM 0 HA ALA A 140 1.077 -0.358 12.110 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.691 0.783 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.048 -0.635 9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.625 -0.732 10.764 1.00 0.00 H new