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 Set 1.1: A 125 MET CE :methyl 149:sc= -0.19 (180deg=0) USER MOD Set 1.2: A 128 SER OG : rot 67:sc= -1.48 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -150:sc= -0.117 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-5.8!) USER MOD Single : A 124 ASN : amide:sc= 0.373 X(o=0.37,f=-0.079) USER MOD Single : A 126 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.2) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.303 -4.177 11.982 1.00 0.00 N ATOM 883 CA ARG A 64 -6.606 -4.570 10.597 1.00 0.00 C ATOM 884 C ARG A 64 -5.751 -3.806 9.570 1.00 0.00 C ATOM 885 O ARG A 64 -5.755 -4.144 8.381 1.00 0.00 O ATOM 886 CB ARG A 64 -8.096 -4.355 10.304 1.00 0.00 C ATOM 887 CG ARG A 64 -9.015 -5.334 11.021 1.00 0.00 C ATOM 888 CD ARG A 64 -10.477 -5.068 10.703 1.00 0.00 C ATOM 889 NE ARG A 64 -11.374 -5.914 11.498 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.552 -5.517 12.002 1.00 0.00 C ATOM 891 NH1 ARG A 64 -13.003 -4.279 11.806 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.281 -6.371 12.707 1.00 0.00 N ATOM 0 HA ARG A 64 -6.360 -5.627 10.500 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.369 -3.339 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.260 -4.438 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.759 -6.353 10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.857 -5.260 12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.705 -4.019 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.656 -5.246 9.643 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.081 -6.874 11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.450 -3.615 11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.901 -3.996 12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.945 -7.321 12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.178 -6.078 13.094 1.00 0.00 H new ATOM 906 N VAL A 65 -5.018 -2.783 10.039 1.00 0.00 N ATOM 907 CA VAL A 65 -4.156 -1.972 9.168 1.00 0.00 C ATOM 908 C VAL A 65 -2.698 -2.411 9.336 1.00 0.00 C ATOM 909 O VAL A 65 -2.197 -2.505 10.461 1.00 0.00 O ATOM 910 CB VAL A 65 -4.295 -0.446 9.469 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.571 0.405 8.421 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.763 -0.032 9.543 1.00 0.00 C ATOM 0 H VAL A 65 -5.006 -2.499 11.019 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.474 -2.132 8.138 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.828 -0.270 10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.690 1.461 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.511 0.151 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.996 0.209 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.830 1.035 9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.250 -0.245 8.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.259 -0.590 10.337 1.00 0.00 H new ATOM 922 N LEU A 66 -2.032 -2.673 8.206 1.00 0.00 N ATOM 923 CA LEU A 66 -0.636 -3.127 8.207 1.00 0.00 C ATOM 924 C LEU A 66 0.242 -2.200 7.369 1.00 0.00 C ATOM 925 O LEU A 66 -0.245 -1.521 6.460 1.00 0.00 O ATOM 926 CB LEU A 66 -0.510 -4.576 7.676 1.00 0.00 C ATOM 927 CG LEU A 66 -1.781 -5.446 7.698 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.615 -6.635 6.765 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.100 -5.923 9.111 1.00 0.00 C ATOM 0 H LEU A 66 -2.439 -2.578 7.275 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.294 -3.104 9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.150 -4.529 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.258 -5.084 8.260 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.616 -4.836 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.519 -7.244 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.442 -6.279 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.765 -7.235 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.002 -6.534 9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.268 -6.515 9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.258 -5.061 9.759 1.00 0.00 H new ATOM 941 N TYR A 67 1.540 -2.185 7.689 1.00 0.00 N ATOM 942 CA TYR A 67 2.526 -1.388 6.960 1.00 0.00 C ATOM 943 C TYR A 67 3.143 -2.245 5.859 1.00 0.00 C ATOM 944 O TYR A 67 3.566 -3.369 6.117 1.00 0.00 O ATOM 945 CB TYR A 67 3.623 -0.876 7.924 1.00 0.00 C ATOM 946 CG TYR A 67 4.816 -0.205 7.248 1.00 0.00 C ATOM 947 CD1 TYR A 67 5.925 -0.955 6.864 1.00 0.00 C ATOM 948 CD2 TYR A 67 4.829 1.161 6.990 1.00 0.00 C ATOM 949 CE1 TYR A 67 7.011 -0.367 6.244 1.00 0.00 C ATOM 950 CE2 TYR A 67 5.915 1.758 6.369 1.00 0.00 C ATOM 951 CZ TYR A 67 7.001 0.988 5.999 1.00 0.00 C ATOM 952 OH TYR A 67 8.079 1.580 5.382 1.00 0.00 O ATOM 0 H TYR A 67 1.934 -2.725 8.460 1.00 0.00 H new ATOM 0 HA TYR A 67 2.036 -0.522 6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.173 -0.167 8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.986 -1.716 8.516 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.936 -2.018 7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.981 1.765 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.862 -0.966 5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.912 2.820 6.175 1.00 0.00 H new ATOM 0 HH TYR A 67 7.912 2.541 5.282 1.00 0.00 H new ATOM 962 N VAL A 68 3.180 -1.712 4.642 1.00 0.00 N ATOM 963 CA VAL A 68 3.774 -2.424 3.512 1.00 0.00 C ATOM 964 C VAL A 68 4.745 -1.512 2.768 1.00 0.00 C ATOM 965 O VAL A 68 4.340 -0.487 2.210 1.00 0.00 O ATOM 966 CB VAL A 68 2.710 -3.014 2.535 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.063 -4.247 3.147 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.635 -1.998 2.146 1.00 0.00 C ATOM 0 H VAL A 68 2.807 -0.791 4.411 1.00 0.00 H new ATOM 0 HA VAL A 68 4.318 -3.275 3.922 1.00 0.00 H new ATOM 0 HB VAL A 68 3.237 -3.288 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.322 -4.650 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.827 -5.000 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.576 -3.975 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.923 -2.464 1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.113 -1.660 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.102 -1.145 1.654 1.00 0.00 H new ATOM 978 N GLY A 69 6.023 -1.899 2.771 1.00 0.00 N ATOM 979 CA GLY A 69 7.050 -1.109 2.116 1.00 0.00 C ATOM 980 C GLY A 69 7.950 -1.932 1.225 1.00 0.00 C ATOM 981 O GLY A 69 8.064 -3.147 1.399 1.00 0.00 O ATOM 0 H GLY A 69 6.363 -2.750 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.576 -0.328 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.655 -0.610 2.873 1.00 0.00 H new ATOM 985 N GLY A 70 8.587 -1.254 0.271 1.00 0.00 N ATOM 986 CA GLY A 70 9.487 -1.914 -0.663 1.00 0.00 C ATOM 987 C GLY A 70 8.833 -2.165 -2.006 1.00 0.00 C ATOM 988 O GLY A 70 9.211 -3.097 -2.722 1.00 0.00 O ATOM 0 H GLY A 70 8.494 -0.248 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.377 -1.300 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.817 -2.862 -0.239 1.00 0.00 H new ATOM 992 N LEU A 71 7.846 -1.323 -2.339 1.00 0.00 N ATOM 993 CA LEU A 71 7.110 -1.431 -3.599 1.00 0.00 C ATOM 994 C LEU A 71 7.788 -0.612 -4.692 1.00 0.00 C ATOM 995 O LEU A 71 8.585 0.289 -4.410 1.00 0.00 O ATOM 996 CB LEU A 71 5.650 -0.963 -3.447 1.00 0.00 C ATOM 997 CG LEU A 71 4.902 -1.441 -2.197 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.065 -0.438 -1.075 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.430 -1.646 -2.509 1.00 0.00 C ATOM 0 H LEU A 71 7.539 -0.553 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 71 7.110 -2.484 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.639 0.127 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.093 -1.293 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 71 5.326 -2.394 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.529 -0.789 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.123 -0.327 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.660 0.525 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.912 -1.985 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.995 -0.705 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.325 -2.395 -3.294 1.00 0.00 H new ATOM 1011 N ALA A 72 7.455 -0.941 -5.940 1.00 0.00 N ATOM 1012 CA ALA A 72 8.007 -0.260 -7.114 1.00 0.00 C ATOM 1013 C ALA A 72 7.278 1.061 -7.378 1.00 0.00 C ATOM 1014 O ALA A 72 6.143 1.250 -6.937 1.00 0.00 O ATOM 1015 CB ALA A 72 7.930 -1.169 -8.336 1.00 0.00 C ATOM 0 H ALA A 72 6.796 -1.686 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 72 9.054 -0.030 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.343 -0.651 -9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.502 -2.078 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.890 -1.429 -8.531 1.00 0.00 H new ATOM 1021 N GLU A 73 7.946 1.976 -8.089 1.00 0.00 N ATOM 1022 CA GLU A 73 7.379 3.296 -8.423 1.00 0.00 C ATOM 1023 C GLU A 73 6.179 3.187 -9.364 1.00 0.00 C ATOM 1024 O GLU A 73 5.294 4.047 -9.356 1.00 0.00 O ATOM 1025 CB GLU A 73 8.452 4.184 -9.047 1.00 0.00 C ATOM 1026 CG GLU A 73 9.554 4.540 -8.072 1.00 0.00 C ATOM 1027 CD GLU A 73 10.735 5.223 -8.734 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.515 4.528 -9.419 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.881 6.452 -8.567 1.00 0.00 O ATOM 0 H GLU A 73 8.889 1.828 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 73 7.027 3.744 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.885 3.674 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.990 5.099 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.150 5.194 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.898 3.633 -7.575 1.00 0.00 H new ATOM 1036 N GLU A 74 6.166 2.118 -10.167 1.00 0.00 N ATOM 1037 CA GLU A 74 5.090 1.866 -11.123 1.00 0.00 C ATOM 1038 C GLU A 74 3.897 1.149 -10.452 1.00 0.00 C ATOM 1039 O GLU A 74 2.952 0.741 -11.140 1.00 0.00 O ATOM 1040 CB GLU A 74 5.641 1.038 -12.299 1.00 0.00 C ATOM 1041 CG GLU A 74 4.790 1.095 -13.562 1.00 0.00 C ATOM 1042 CD GLU A 74 5.300 0.174 -14.655 1.00 0.00 C ATOM 1043 OE1 GLU A 74 6.374 0.464 -15.223 1.00 0.00 O ATOM 1044 OE2 GLU A 74 4.626 -0.838 -14.940 1.00 0.00 O ATOM 0 H GLU A 74 6.898 1.408 -10.171 1.00 0.00 H new ATOM 0 HA GLU A 74 4.719 2.820 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.645 1.389 -12.536 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.733 -0.001 -11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.763 0.825 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.770 2.119 -13.936 1.00 0.00 H new ATOM 1051 N VAL A 75 3.932 1.012 -9.110 1.00 0.00 N ATOM 1052 CA VAL A 75 2.833 0.340 -8.385 1.00 0.00 C ATOM 1053 C VAL A 75 1.755 1.347 -7.960 1.00 0.00 C ATOM 1054 O VAL A 75 2.066 2.482 -7.585 1.00 0.00 O ATOM 1055 CB VAL A 75 3.305 -0.505 -7.146 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.570 -1.297 -7.453 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.495 0.343 -5.889 1.00 0.00 C ATOM 0 H VAL A 75 4.691 1.349 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 75 2.410 -0.370 -9.096 1.00 0.00 H new ATOM 0 HB VAL A 75 2.499 -1.210 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.865 -1.868 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.380 -1.980 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.372 -0.611 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.821 -0.294 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.248 1.108 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.551 0.820 -5.626 1.00 0.00 H new ATOM 1067 N ASP A 76 0.497 0.909 -8.026 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.651 1.742 -7.655 1.00 0.00 C ATOM 1069 C ASP A 76 -1.546 1.001 -6.651 1.00 0.00 C ATOM 1070 O ASP A 76 -1.210 -0.106 -6.216 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.450 2.130 -8.914 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.672 3.022 -9.874 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.051 3.928 -9.402 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.787 2.811 -11.099 1.00 0.00 O ATOM 0 H ASP A 76 0.244 -0.029 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.288 2.653 -7.180 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.752 1.223 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.363 2.643 -8.612 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.686 1.620 -6.280 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.645 1.021 -5.330 1.00 0.00 C ATOM 1081 C ASP A 77 -4.170 -0.328 -5.836 1.00 0.00 C ATOM 1082 O ASP A 77 -4.476 -1.225 -5.047 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.825 1.970 -5.096 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.451 3.170 -4.248 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.412 3.029 -3.008 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.197 4.249 -4.824 1.00 0.00 O ATOM 0 H ASP A 77 -2.965 2.538 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.115 0.855 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.205 2.314 -6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.634 1.425 -4.610 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.261 -0.442 -7.168 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.741 -1.653 -7.852 1.00 0.00 C ATOM 1093 C LYS A 78 -3.743 -2.797 -7.682 1.00 0.00 C ATOM 1094 O LYS A 78 -4.124 -3.950 -7.462 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.939 -1.361 -9.343 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.966 -0.280 -9.629 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.071 -0.003 -11.114 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.964 1.195 -11.389 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.850 1.663 -12.798 1.00 0.00 N ATOM 0 H LYS A 78 -4.002 0.309 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.692 -1.949 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.983 -1.063 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.243 -2.279 -9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.938 -0.588 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.691 0.635 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.077 0.179 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.469 -0.881 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.000 0.931 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.698 2.008 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.475 2.481 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.867 1.939 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.129 0.896 -13.442 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.455 -2.439 -7.792 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.340 -3.365 -7.652 1.00 0.00 C ATOM 1115 C VAL A 79 -1.241 -3.892 -6.208 1.00 0.00 C ATOM 1116 O VAL A 79 -1.111 -5.102 -5.990 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.015 -2.653 -8.056 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.170 -3.579 -7.926 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.082 -2.104 -9.478 1.00 0.00 C ATOM 0 H VAL A 79 -2.163 -1.481 -7.984 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.509 -4.216 -8.312 1.00 0.00 H new ATOM 0 HB VAL A 79 0.114 -1.818 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.078 -3.051 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.259 -3.913 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.030 -4.443 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.860 -1.614 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.259 -2.922 -10.176 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.896 -1.382 -9.551 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.317 -2.968 -5.234 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.238 -3.315 -3.809 1.00 0.00 C ATOM 1131 C LEU A 80 -2.452 -4.144 -3.358 1.00 0.00 C ATOM 1132 O LEU A 80 -2.314 -5.070 -2.553 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.129 -2.043 -2.958 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.389 -2.205 -1.619 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.254 -0.894 -1.204 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.329 -2.701 -0.526 1.00 0.00 C ATOM 0 H LEU A 80 -1.434 -1.970 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.345 -3.924 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.621 -1.277 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.135 -1.675 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 80 0.393 -2.952 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.773 -1.028 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.967 -0.581 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.516 -0.130 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.777 -2.806 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.140 -1.985 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.743 -3.668 -0.813 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.634 -3.797 -3.891 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.893 -4.486 -3.564 1.00 0.00 C ATOM 1150 C HIS A 81 -4.912 -5.925 -4.112 1.00 0.00 C ATOM 1151 O HIS A 81 -5.217 -6.873 -3.383 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.075 -3.683 -4.132 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.378 -3.909 -3.423 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.834 -3.091 -2.411 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.328 -4.857 -3.596 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.009 -3.526 -1.992 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.331 -4.596 -2.695 1.00 0.00 N ATOM 0 H HIS A 81 -3.744 -3.034 -4.559 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.978 -4.550 -2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.831 -2.621 -4.088 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.199 -3.938 -5.184 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.302 -5.667 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.605 -3.082 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.186 -5.141 -2.586 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.566 -6.066 -5.399 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.540 -7.364 -6.088 1.00 0.00 C ATOM 1168 C ALA A 82 -3.400 -8.281 -5.615 1.00 0.00 C ATOM 1169 O ALA A 82 -3.464 -9.498 -5.808 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.444 -7.149 -7.591 1.00 0.00 C ATOM 0 H ALA A 82 -4.296 -5.282 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.472 -7.871 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.425 -8.115 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.307 -6.578 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.531 -6.600 -7.823 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.364 -7.688 -4.998 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.197 -8.441 -4.527 1.00 0.00 C ATOM 1178 C ALA A 83 -1.442 -9.037 -3.148 1.00 0.00 C ATOM 1179 O ALA A 83 -0.955 -10.126 -2.831 1.00 0.00 O ATOM 1180 CB ALA A 83 0.027 -7.537 -4.496 1.00 0.00 C ATOM 0 H ALA A 83 -2.314 -6.686 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.022 -9.263 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.889 -8.104 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.225 -7.159 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.156 -6.700 -3.822 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.206 -8.302 -2.344 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.533 -8.708 -0.986 1.00 0.00 C ATOM 1188 C PHE A 84 -3.956 -9.272 -0.871 1.00 0.00 C ATOM 1189 O PHE A 84 -4.392 -9.651 0.222 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.355 -7.513 -0.053 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.917 -7.126 0.166 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.184 -7.686 1.201 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.297 -6.206 -0.665 1.00 0.00 C ATOM 1194 CE1 PHE A 84 1.137 -7.337 1.402 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.024 -5.853 -0.470 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.741 -6.419 0.564 1.00 0.00 C ATOM 0 H PHE A 84 -2.614 -7.409 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.855 -9.512 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.893 -6.659 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.811 -7.744 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.652 -8.404 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.854 -5.759 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.697 -7.780 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.495 -5.135 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.774 -6.145 0.718 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.673 -9.339 -2.009 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.046 -9.863 -2.047 1.00 0.00 C ATOM 1208 C ILE A 85 -6.129 -11.405 -1.796 1.00 0.00 C ATOM 1209 O ILE A 85 -7.132 -11.853 -1.233 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.794 -9.434 -3.365 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.318 -9.612 -3.231 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.287 -10.174 -4.605 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.024 -8.462 -2.534 1.00 0.00 C ATOM 0 H ILE A 85 -4.320 -9.035 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.569 -9.403 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.571 -8.376 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.746 -9.736 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.517 -10.532 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.840 -9.836 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.226 -9.967 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.434 -11.246 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.093 -8.669 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.627 -8.349 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.859 -7.541 -3.094 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.108 -12.253 -2.195 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.164 -13.718 -1.957 1.00 0.00 C ATOM 1227 C PRO A 86 -5.290 -14.104 -0.474 1.00 0.00 C ATOM 1228 O PRO A 86 -5.770 -15.197 -0.157 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.832 -14.237 -2.514 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.397 -13.202 -3.487 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.855 -11.893 -2.914 1.00 0.00 C ATOM 0 HA PRO A 86 -6.048 -14.144 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.096 -14.368 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.956 -15.206 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.315 -13.216 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.838 -13.376 -4.468 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.112 -11.467 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.037 -11.154 -3.694 1.00 0.00 H new ATOM 1239 N PHE A 87 -4.858 -13.203 0.427 1.00 0.00 N ATOM 1240 CA PHE A 87 -4.914 -13.451 1.881 1.00 0.00 C ATOM 1241 C PHE A 87 -6.328 -13.267 2.442 1.00 0.00 C ATOM 1242 O PHE A 87 -6.709 -13.939 3.405 1.00 0.00 O ATOM 1243 CB PHE A 87 -3.956 -12.521 2.640 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.531 -12.579 2.164 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.642 -13.488 2.713 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.085 -11.732 1.160 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.336 -13.551 2.273 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.778 -11.792 0.717 1.00 0.00 C ATOM 1249 CZ PHE A 87 0.096 -12.702 1.274 1.00 0.00 C ATOM 0 H PHE A 87 -4.466 -12.296 0.174 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.611 -14.488 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.316 -11.496 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.984 -12.776 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.975 -14.155 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.766 -11.019 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.348 -14.264 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.441 -11.127 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.118 -12.750 0.929 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.094 -12.354 1.830 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.451 -12.083 2.277 1.00 0.00 C ATOM 1261 C GLY A 88 -9.040 -10.839 1.639 1.00 0.00 C ATOM 1262 O GLY A 88 -8.565 -10.385 0.594 1.00 0.00 O ATOM 0 H GLY A 88 -6.792 -11.798 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.084 -12.940 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.456 -11.968 3.361 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.084 -10.295 2.277 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.772 -9.092 1.791 1.00 0.00 C ATOM 1268 C ASP A 89 -10.059 -7.813 2.231 1.00 0.00 C ATOM 1269 O ASP A 89 -9.671 -7.680 3.395 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.221 -9.068 2.292 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.088 -10.163 1.686 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -12.963 -10.425 0.469 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.893 -10.760 2.432 1.00 0.00 O ATOM 0 H ASP A 89 -10.474 -10.674 3.140 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.760 -9.130 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.224 -9.171 3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.661 -8.098 2.063 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.899 -6.881 1.286 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.250 -5.593 1.553 1.00 0.00 C ATOM 1280 C ILE A 90 -10.263 -4.465 1.361 1.00 0.00 C ATOM 1281 O ILE A 90 -11.039 -4.476 0.400 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.005 -5.357 0.642 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.026 -6.538 0.748 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.289 -4.050 1.013 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.214 -6.780 -0.508 1.00 0.00 C ATOM 0 H ILE A 90 -10.213 -6.996 0.322 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.894 -5.606 2.583 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.356 -5.279 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.345 -6.358 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.587 -7.442 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.426 -3.911 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.975 -3.212 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.958 -4.098 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.548 -7.629 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.885 -6.993 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.624 -5.893 -0.736 1.00 0.00 H new ATOM 1297 N THR A 91 -10.243 -3.498 2.282 1.00 0.00 N ATOM 1298 CA THR A 91 -11.162 -2.362 2.237 1.00 0.00 C ATOM 1299 C THR A 91 -10.569 -1.164 1.487 1.00 0.00 C ATOM 1300 O THR A 91 -11.144 -0.718 0.490 1.00 0.00 O ATOM 1301 CB THR A 91 -11.596 -1.922 3.653 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.501 -2.041 4.569 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.767 -2.759 4.143 1.00 0.00 C ATOM 0 H THR A 91 -9.596 -3.481 3.071 1.00 0.00 H new ATOM 0 HA THR A 91 -12.039 -2.707 1.690 1.00 0.00 H new ATOM 0 HB THR A 91 -11.908 -0.879 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.845 -2.233 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.056 -2.432 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.611 -2.638 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.476 -3.809 4.175 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.422 -0.645 1.967 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.777 0.522 1.341 1.00 0.00 C ATOM 1313 C ASP A 92 -7.250 0.470 1.428 1.00 0.00 C ATOM 1314 O ASP A 92 -6.688 -0.168 2.323 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.266 1.823 2.009 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.729 2.135 1.729 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.173 1.958 0.573 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.432 2.558 2.671 1.00 0.00 O ATOM 0 H ASP A 92 -8.928 -1.013 2.780 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.057 0.502 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.118 1.747 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.652 2.654 1.661 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.600 1.156 0.476 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.138 1.269 0.425 1.00 0.00 C ATOM 1325 C ILE A 93 -4.770 2.748 0.599 1.00 0.00 C ATOM 1326 O ILE A 93 -5.181 3.589 -0.207 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.538 0.713 -0.922 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.956 -0.759 -1.212 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.010 0.834 -0.956 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.862 -1.727 -0.034 1.00 0.00 C ATOM 0 H ILE A 93 -7.076 1.648 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.712 0.664 1.225 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.961 1.338 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.984 -0.759 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.332 -1.140 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.635 0.440 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.726 1.882 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.582 0.266 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.177 -2.720 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.832 -1.770 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.509 -1.383 0.773 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.998 3.053 1.648 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.596 4.431 1.936 1.00 0.00 C ATOM 1344 C GLN A 94 -2.094 4.627 1.731 1.00 0.00 C ATOM 1345 O GLN A 94 -1.278 3.902 2.309 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.999 4.805 3.371 1.00 0.00 C ATOM 1347 CG GLN A 94 -4.267 6.296 3.583 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.619 6.743 3.043 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.654 6.149 3.347 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.612 7.796 2.234 1.00 0.00 N ATOM 0 H GLN A 94 -3.640 2.364 2.310 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.112 5.090 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.894 4.245 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.208 4.490 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.216 6.520 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -3.480 6.873 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.732 8.259 2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.487 8.141 1.839 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.747 5.613 0.896 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.348 5.932 0.593 1.00 0.00 C ATOM 1361 C ILE A 95 -0.070 7.434 0.829 1.00 0.00 C ATOM 1362 O ILE A 95 -0.567 8.269 0.064 1.00 0.00 O ATOM 1363 CB ILE A 95 0.038 5.565 -0.878 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.649 4.273 -1.340 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.551 5.420 -1.031 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.915 4.515 -2.125 1.00 0.00 C ATOM 0 H ILE A 95 -2.422 6.208 0.415 1.00 0.00 H new ATOM 0 HA ILE A 95 0.263 5.330 1.266 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.308 6.385 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.046 3.700 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.882 3.662 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.789 5.165 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.035 6.361 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.910 4.631 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.348 3.559 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.628 5.061 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.685 5.099 -3.016 1.00 0.00 H new ATOM 1378 N PRO A 96 0.713 7.817 1.893 1.00 0.00 N ATOM 1379 CA PRO A 96 1.043 9.236 2.162 1.00 0.00 C ATOM 1380 C PRO A 96 1.848 9.869 1.020 1.00 0.00 C ATOM 1381 O PRO A 96 2.888 9.337 0.615 1.00 0.00 O ATOM 1382 CB PRO A 96 1.888 9.187 3.445 1.00 0.00 C ATOM 1383 CG PRO A 96 1.590 7.863 4.060 1.00 0.00 C ATOM 1384 CD PRO A 96 1.310 6.928 2.918 1.00 0.00 C ATOM 0 HA PRO A 96 0.144 9.845 2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.950 9.287 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.627 10.002 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.433 7.511 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.733 7.928 4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.220 6.450 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.625 6.131 3.208 1.00 0.00 H new ATOM 1392 N LEU A 97 1.353 10.999 0.506 1.00 0.00 N ATOM 1393 CA LEU A 97 2.010 11.702 -0.598 1.00 0.00 C ATOM 1394 C LEU A 97 2.291 13.161 -0.237 1.00 0.00 C ATOM 1395 O LEU A 97 1.437 13.839 0.343 1.00 0.00 O ATOM 1396 CB LEU A 97 1.135 11.630 -1.856 1.00 0.00 C ATOM 1397 CG LEU A 97 1.873 11.820 -3.185 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.171 10.474 -3.825 1.00 0.00 C ATOM 1399 CD2 LEU A 97 1.059 12.696 -4.126 1.00 0.00 C ATOM 0 H LEU A 97 0.498 11.446 0.838 1.00 0.00 H new ATOM 0 HA LEU A 97 2.965 11.214 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.634 10.662 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.357 12.390 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 97 2.820 12.321 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.695 10.628 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.795 9.883 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.236 9.945 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.598 12.820 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.096 12.224 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.899 13.672 -3.668 1.00 0.00 H new ATOM 1411 N ASP A 98 3.496 13.629 -0.587 1.00 0.00 N ATOM 1412 CA ASP A 98 3.907 15.014 -0.329 1.00 0.00 C ATOM 1413 C ASP A 98 3.571 15.899 -1.526 1.00 0.00 C ATOM 1414 O ASP A 98 3.666 15.458 -2.669 1.00 0.00 O ATOM 1415 CB ASP A 98 5.415 15.100 -0.036 1.00 0.00 C ATOM 1416 CG ASP A 98 5.836 14.323 1.204 1.00 0.00 C ATOM 1417 OD1 ASP A 98 5.121 14.392 2.229 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.884 13.646 1.150 1.00 0.00 O ATOM 0 H ASP A 98 4.207 13.064 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 98 3.361 15.364 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.967 14.722 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.694 16.146 0.088 1.00 0.00 H new ATOM 1423 N TYR A 99 3.163 17.142 -1.251 1.00 0.00 N ATOM 1424 CA TYR A 99 2.813 18.114 -2.304 1.00 0.00 C ATOM 1425 C TYR A 99 4.015 18.494 -3.179 1.00 0.00 C ATOM 1426 O TYR A 99 3.871 18.724 -4.382 1.00 0.00 O ATOM 1427 CB TYR A 99 2.219 19.380 -1.676 1.00 0.00 C ATOM 1428 CG TYR A 99 0.856 19.178 -1.052 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.280 19.116 -1.844 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.707 19.054 0.323 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -1.531 18.935 -1.287 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -0.541 18.873 0.890 1.00 0.00 C ATOM 1433 CZ TYR A 99 -1.656 18.813 0.081 1.00 0.00 C ATOM 1434 OH TYR A 99 -2.900 18.632 0.641 1.00 0.00 O ATOM 0 H TYR A 99 3.065 17.505 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 99 2.077 17.632 -2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.904 19.751 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.146 20.152 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.185 19.211 -2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.579 19.100 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.406 18.889 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.642 18.779 1.961 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.814 18.563 1.615 1.00 0.00 H new ATOM 1444 N GLU A 100 5.191 18.553 -2.548 1.00 0.00 N ATOM 1445 CA GLU A 100 6.447 18.927 -3.215 1.00 0.00 C ATOM 1446 C GLU A 100 6.989 17.822 -4.148 1.00 0.00 C ATOM 1447 O GLU A 100 7.334 18.101 -5.300 1.00 0.00 O ATOM 1448 CB GLU A 100 7.493 19.281 -2.141 1.00 0.00 C ATOM 1449 CG GLU A 100 8.727 20.014 -2.666 1.00 0.00 C ATOM 1450 CD GLU A 100 9.791 20.215 -1.601 1.00 0.00 C ATOM 1451 OE1 GLU A 100 10.332 19.207 -1.100 1.00 0.00 O ATOM 1452 OE2 GLU A 100 10.081 21.384 -1.269 1.00 0.00 O ATOM 0 H GLU A 100 5.302 18.342 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 100 6.242 19.788 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.017 19.899 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.815 18.362 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.153 19.450 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.427 20.985 -3.060 1.00 0.00 H new ATOM 1459 N THR A 101 7.056 16.582 -3.645 1.00 0.00 N ATOM 1460 CA THR A 101 7.588 15.450 -4.423 1.00 0.00 C ATOM 1461 C THR A 101 6.504 14.664 -5.156 1.00 0.00 C ATOM 1462 O THR A 101 6.768 14.101 -6.220 1.00 0.00 O ATOM 1463 CB THR A 101 8.383 14.482 -3.518 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.597 14.115 -2.377 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.695 15.107 -3.057 1.00 0.00 C ATOM 0 H THR A 101 6.749 16.335 -2.704 1.00 0.00 H new ATOM 0 HA THR A 101 8.246 15.891 -5.172 1.00 0.00 H new ATOM 0 HB THR A 101 8.614 13.592 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.109 13.500 -1.811 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.231 14.401 -2.422 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.307 15.351 -3.926 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.487 16.016 -2.493 1.00 0.00 H new ATOM 1473 N GLU A 102 5.270 14.655 -4.606 1.00 0.00 N ATOM 1474 CA GLU A 102 4.118 13.914 -5.190 1.00 0.00 C ATOM 1475 C GLU A 102 4.464 12.431 -5.462 1.00 0.00 C ATOM 1476 O GLU A 102 3.839 11.772 -6.305 1.00 0.00 O ATOM 1477 CB GLU A 102 3.615 14.599 -6.481 1.00 0.00 C ATOM 1478 CG GLU A 102 2.965 15.955 -6.248 1.00 0.00 C ATOM 1479 CD GLU A 102 2.415 16.564 -7.522 1.00 0.00 C ATOM 1480 OE1 GLU A 102 3.220 17.064 -8.336 1.00 0.00 O ATOM 1481 OE2 GLU A 102 1.180 16.539 -7.708 1.00 0.00 O ATOM 0 H GLU A 102 5.040 15.157 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 102 3.316 13.935 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.454 14.722 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.897 13.943 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.158 15.847 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.697 16.634 -5.811 1.00 0.00 H new ATOM 1488 N LYS A 103 5.455 11.919 -4.719 1.00 0.00 N ATOM 1489 CA LYS A 103 5.923 10.538 -4.867 1.00 0.00 C ATOM 1490 C LYS A 103 5.509 9.702 -3.659 1.00 0.00 C ATOM 1491 O LYS A 103 5.399 10.226 -2.547 1.00 0.00 O ATOM 1492 CB LYS A 103 7.456 10.495 -5.010 1.00 0.00 C ATOM 1493 CG LYS A 103 8.024 11.398 -6.103 1.00 0.00 C ATOM 1494 CD LYS A 103 9.486 11.091 -6.378 1.00 0.00 C ATOM 1495 CE LYS A 103 10.083 12.072 -7.375 1.00 0.00 C ATOM 1496 NZ LYS A 103 11.308 11.529 -8.023 1.00 0.00 N ATOM 0 H LYS A 103 5.951 12.449 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 103 5.467 10.125 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.904 10.777 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.759 9.468 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.446 11.270 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.921 12.441 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.049 11.130 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.579 10.076 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.343 12.309 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.325 13.005 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.684 12.228 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.024 11.327 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.073 10.652 -8.531 1.00 0.00 H new ATOM 1510 N HIS A 104 5.282 8.399 -3.884 1.00 0.00 N ATOM 1511 CA HIS A 104 4.885 7.484 -2.804 1.00 0.00 C ATOM 1512 C HIS A 104 6.102 6.937 -2.036 1.00 0.00 C ATOM 1513 O HIS A 104 5.951 6.370 -0.950 1.00 0.00 O ATOM 1514 CB HIS A 104 4.008 6.334 -3.339 1.00 0.00 C ATOM 1515 CG HIS A 104 4.646 5.448 -4.374 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.110 4.182 -4.088 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.855 5.634 -5.698 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.576 3.625 -5.190 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.432 4.485 -6.185 1.00 0.00 N ATOM 0 H HIS A 104 5.366 7.957 -4.799 1.00 0.00 H new ATOM 0 HA HIS A 104 4.290 8.064 -2.099 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.702 5.714 -2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.101 6.763 -3.765 1.00 0.00 H new ATOM 0 HD1 HIS A 104 5.095 3.743 -3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.614 6.520 -6.266 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.002 2.636 -5.267 1.00 0.00 H new ATOM 1528 N ARG A 105 7.309 7.112 -2.622 1.00 0.00 N ATOM 1529 CA ARG A 105 8.599 6.665 -2.032 1.00 0.00 C ATOM 1530 C ARG A 105 8.746 5.131 -1.965 1.00 0.00 C ATOM 1531 O ARG A 105 9.827 4.628 -1.638 1.00 0.00 O ATOM 1532 CB ARG A 105 8.827 7.283 -0.640 1.00 0.00 C ATOM 1533 CG ARG A 105 9.141 8.772 -0.673 1.00 0.00 C ATOM 1534 CD ARG A 105 9.452 9.307 0.716 1.00 0.00 C ATOM 1535 NE ARG A 105 9.630 10.763 0.718 1.00 0.00 N ATOM 1536 CZ ARG A 105 10.803 11.390 0.895 1.00 0.00 C ATOM 1537 NH1 ARG A 105 11.930 10.705 1.082 1.00 0.00 N ATOM 1538 NH2 ARG A 105 10.845 12.714 0.884 1.00 0.00 N ATOM 0 H ARG A 105 7.419 7.571 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 105 9.370 7.027 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.937 7.122 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.648 6.759 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.991 8.951 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.293 9.314 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.644 9.040 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.357 8.831 1.093 1.00 0.00 H new ATOM 0 HE ARG A 105 8.802 11.341 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.911 9.685 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.812 11.200 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.989 13.250 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.733 13.197 1.018 1.00 0.00 H new ATOM 1552 N GLY A 106 7.670 4.398 -2.285 1.00 0.00 N ATOM 1553 CA GLY A 106 7.720 2.942 -2.276 1.00 0.00 C ATOM 1554 C GLY A 106 7.143 2.292 -1.026 1.00 0.00 C ATOM 1555 O GLY A 106 7.535 1.169 -0.693 1.00 0.00 O ATOM 0 H GLY A 106 6.767 4.791 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.179 2.568 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.758 2.627 -2.386 1.00 0.00 H new ATOM 1559 N PHE A 107 6.243 2.992 -0.314 1.00 0.00 N ATOM 1560 CA PHE A 107 5.595 2.425 0.879 1.00 0.00 C ATOM 1561 C PHE A 107 4.140 2.883 0.996 1.00 0.00 C ATOM 1562 O PHE A 107 3.776 3.962 0.518 1.00 0.00 O ATOM 1563 CB PHE A 107 6.376 2.731 2.179 1.00 0.00 C ATOM 1564 CG PHE A 107 6.512 4.191 2.531 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.560 4.815 3.321 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.592 4.932 2.080 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.679 6.151 3.652 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.717 6.268 2.408 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.759 6.878 3.195 1.00 0.00 C ATOM 0 H PHE A 107 5.950 3.942 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 107 5.602 1.343 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.882 2.221 3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.374 2.303 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.714 4.250 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.344 4.460 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.928 6.625 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.563 6.835 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.855 7.923 3.452 1.00 0.00 H new ATOM 1579 N ALA A 108 3.317 2.038 1.641 1.00 0.00 N ATOM 1580 CA ALA A 108 1.883 2.304 1.840 1.00 0.00 C ATOM 1581 C ALA A 108 1.326 1.464 2.997 1.00 0.00 C ATOM 1582 O ALA A 108 2.021 0.596 3.530 1.00 0.00 O ATOM 1583 CB ALA A 108 1.110 1.996 0.557 1.00 0.00 C ATOM 0 H ALA A 108 3.628 1.152 2.039 1.00 0.00 H new ATOM 0 HA ALA A 108 1.763 3.358 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.050 2.196 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.482 2.625 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.246 0.947 0.293 1.00 0.00 H new ATOM 1589 N PHE A 109 0.081 1.757 3.400 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.597 1.004 4.459 1.00 0.00 C ATOM 1591 C PHE A 109 -1.778 0.254 3.851 1.00 0.00 C ATOM 1592 O PHE A 109 -2.425 0.761 2.929 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.094 1.921 5.586 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.006 2.694 6.281 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.385 3.938 5.814 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.617 2.178 7.404 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.379 4.653 6.454 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.612 2.886 8.049 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.993 4.126 7.573 1.00 0.00 C ATOM 0 H PHE A 109 -0.477 2.514 3.005 1.00 0.00 H new ATOM 0 HA PHE A 109 0.118 0.307 4.895 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.817 2.625 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.622 1.317 6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.093 4.354 4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.321 1.210 7.781 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.675 5.622 6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.091 2.471 8.924 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.770 4.682 8.076 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.060 -0.941 4.369 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.164 -1.752 3.854 1.00 0.00 C ATOM 1611 C VAL A 110 -4.231 -1.984 4.935 1.00 0.00 C ATOM 1612 O VAL A 110 -3.915 -2.363 6.066 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.639 -3.102 3.247 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.970 -3.999 4.292 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.750 -3.862 2.518 1.00 0.00 C ATOM 0 H VAL A 110 -1.544 -1.367 5.139 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.641 -1.200 3.044 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.875 -2.829 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.627 -4.918 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.119 -3.476 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.688 -4.242 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.349 -4.791 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.555 -4.089 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.138 -3.248 1.705 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.488 -1.746 4.552 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.629 -1.916 5.444 1.00 0.00 C ATOM 1627 C GLU A 111 -7.377 -3.206 5.089 1.00 0.00 C ATOM 1628 O GLU A 111 -7.785 -3.398 3.940 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.554 -0.692 5.317 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.568 -0.540 6.444 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.571 0.568 6.185 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.168 1.751 6.193 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.761 0.253 5.972 1.00 0.00 O ATOM 0 H GLU A 111 -5.739 -1.431 3.615 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.287 -1.994 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.940 0.208 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.090 -0.756 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.100 -1.482 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.041 -0.337 7.376 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.549 -4.077 6.086 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.245 -5.349 5.900 1.00 0.00 C ATOM 1642 C PHE A 112 -9.567 -5.366 6.659 1.00 0.00 C ATOM 1643 O PHE A 112 -9.664 -4.817 7.757 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.366 -6.518 6.361 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.409 -7.028 5.314 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -6.838 -7.927 4.348 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.081 -6.625 5.302 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -5.966 -8.411 3.393 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.206 -7.106 4.345 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.651 -7.999 3.391 1.00 0.00 C ATOM 0 H PHE A 112 -7.213 -3.921 7.036 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.454 -5.460 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.796 -6.205 7.236 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.010 -7.338 6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.868 -8.253 4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.727 -5.929 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.314 -9.112 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.175 -6.783 4.344 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.969 -8.375 2.643 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.585 -5.997 6.055 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.920 -6.112 6.664 1.00 0.00 C ATOM 1662 C GLU A 113 -11.889 -7.053 7.885 1.00 0.00 C ATOM 1663 O GLU A 113 -12.582 -6.813 8.879 1.00 0.00 O ATOM 1664 CB GLU A 113 -12.929 -6.609 5.613 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.392 -6.434 6.005 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.344 -7.041 4.993 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.442 -6.502 3.870 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -15.994 -8.056 5.323 1.00 0.00 O ATOM 0 H GLU A 113 -10.508 -6.439 5.139 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.233 -5.128 7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.751 -6.078 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.742 -7.665 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.561 -6.894 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.611 -5.372 6.112 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.081 -8.116 7.786 1.00 0.00 N ATOM 1676 CA LEU A 114 -10.931 -9.096 8.867 1.00 0.00 C ATOM 1677 C LEU A 114 -9.599 -8.925 9.578 1.00 0.00 C ATOM 1678 O LEU A 114 -8.577 -8.663 8.942 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.021 -10.533 8.322 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.418 -11.020 7.925 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -12.808 -10.500 6.548 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.463 -12.541 7.948 1.00 0.00 C ATOM 0 H LEU A 114 -10.517 -8.319 6.961 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.743 -8.923 9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.371 -10.610 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.624 -11.211 9.077 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.136 -10.630 8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -13.804 -10.861 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -12.808 -9.410 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.091 -10.856 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.459 -12.880 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.731 -12.937 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.231 -12.897 8.952 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.625 -9.062 10.905 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.409 -8.979 11.727 1.00 0.00 C ATOM 1696 C ALA A 115 -7.590 -10.269 11.580 1.00 0.00 C ATOM 1697 O ALA A 115 -6.378 -10.291 11.815 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.771 -8.741 13.186 1.00 0.00 C ATOM 0 H ALA A 115 -10.478 -9.232 11.439 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.806 -8.139 11.382 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.860 -8.682 13.782 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.325 -7.806 13.276 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.388 -9.564 13.547 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.299 -11.336 11.172 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.731 -12.671 10.958 1.00 0.00 C ATOM 1706 C GLU A 116 -6.808 -12.704 9.723 1.00 0.00 C ATOM 1707 O GLU A 116 -5.672 -13.188 9.803 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.901 -13.664 10.800 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.515 -15.142 10.741 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.126 -15.738 12.092 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.668 -15.295 13.131 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -7.275 -16.652 12.108 1.00 0.00 O ATOM 0 H GLU A 116 -9.300 -11.290 10.979 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.114 -12.948 11.813 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.590 -13.521 11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.445 -13.413 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.352 -15.709 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.681 -15.262 10.049 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.305 -12.174 8.591 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.541 -12.134 7.335 1.00 0.00 C ATOM 1721 C ASP A 117 -5.329 -11.190 7.431 1.00 0.00 C ATOM 1722 O ASP A 117 -4.298 -11.429 6.797 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.456 -11.789 6.133 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.188 -10.452 6.233 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.613 -9.486 6.772 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.342 -10.378 5.763 1.00 0.00 O ATOM 0 H ASP A 117 -8.237 -11.766 8.522 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.142 -13.133 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.851 -11.787 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.195 -12.582 6.021 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.475 -10.118 8.234 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.404 -9.134 8.452 1.00 0.00 C ATOM 1733 C ALA A 118 -3.201 -9.774 9.152 1.00 0.00 C ATOM 1734 O ALA A 118 -2.048 -9.558 8.754 1.00 0.00 O ATOM 1735 CB ALA A 118 -4.934 -7.972 9.276 1.00 0.00 C ATOM 0 H ALA A 118 -6.334 -9.913 8.745 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.071 -8.766 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.137 -7.245 9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.759 -7.496 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.287 -8.340 10.239 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.488 -10.578 10.194 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.455 -11.303 10.942 1.00 0.00 C ATOM 1743 C ALA A 119 -1.794 -12.348 10.043 1.00 0.00 C ATOM 1744 O ALA A 119 -0.624 -12.698 10.225 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.054 -11.962 12.176 1.00 0.00 C ATOM 0 H ALA A 119 -4.436 -10.739 10.535 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.696 -10.593 11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.274 -12.495 12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.488 -11.199 12.822 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.830 -12.665 11.873 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.581 -12.834 9.068 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.125 -13.825 8.085 1.00 0.00 C ATOM 1753 C ALA A 120 -1.135 -13.210 7.091 1.00 0.00 C ATOM 1754 O ALA A 120 -0.184 -13.868 6.661 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.318 -14.407 7.336 1.00 0.00 C ATOM 0 H ALA A 120 -3.552 -12.549 8.941 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.613 -14.621 8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.969 -15.141 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.992 -14.890 8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.848 -13.607 6.818 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.373 -11.934 6.741 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.523 -11.193 5.801 1.00 0.00 C ATOM 1763 C ALA A 121 0.874 -10.926 6.375 1.00 0.00 C ATOM 1764 O ALA A 121 1.873 -11.032 5.657 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.195 -9.882 5.410 1.00 0.00 C ATOM 0 H ALA A 121 -2.158 -11.392 7.102 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.395 -11.813 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.557 -9.340 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.154 -10.092 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.356 -9.276 6.301 1.00 0.00 H new ATOM 1771 N ILE A 122 0.930 -10.579 7.673 1.00 0.00 N ATOM 1772 CA ILE A 122 2.205 -10.295 8.360 1.00 0.00 C ATOM 1773 C ILE A 122 3.048 -11.568 8.579 1.00 0.00 C ATOM 1774 O ILE A 122 4.275 -11.526 8.467 1.00 0.00 O ATOM 1775 CB ILE A 122 1.981 -9.560 9.721 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.305 -8.196 9.486 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.312 -9.359 10.467 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.463 -7.702 10.647 1.00 0.00 C ATOM 0 H ILE A 122 0.107 -10.488 8.269 1.00 0.00 H new ATOM 0 HA ILE A 122 2.762 -9.633 7.698 1.00 0.00 H new ATOM 0 HB ILE A 122 1.331 -10.183 10.336 1.00 0.00 H new ATOM 0 HG12 ILE A 122 2.075 -7.455 9.272 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.674 -8.265 8.600 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.126 -8.845 11.410 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.768 -10.329 10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.986 -8.760 9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 122 0.026 -6.736 10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.333 -8.419 10.850 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.090 -7.596 11.532 1.00 0.00 H new ATOM 1790 N ASP A 123 2.378 -12.684 8.888 1.00 0.00 N ATOM 1791 CA ASP A 123 3.059 -13.959 9.153 1.00 0.00 C ATOM 1792 C ASP A 123 3.419 -14.740 7.879 1.00 0.00 C ATOM 1793 O ASP A 123 4.279 -15.625 7.927 1.00 0.00 O ATOM 1794 CB ASP A 123 2.185 -14.832 10.058 1.00 0.00 C ATOM 1795 CG ASP A 123 3.001 -15.649 11.043 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.381 -16.787 10.698 1.00 0.00 O ATOM 1797 OD2 ASP A 123 3.258 -15.151 12.159 1.00 0.00 O ATOM 0 H ASP A 123 1.362 -12.731 8.961 1.00 0.00 H new ATOM 0 HA ASP A 123 4.000 -13.711 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.489 -14.198 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.587 -15.503 9.442 1.00 0.00 H new ATOM 1802 N ASN A 124 2.773 -14.416 6.751 1.00 0.00 N ATOM 1803 CA ASN A 124 3.023 -15.131 5.496 1.00 0.00 C ATOM 1804 C ASN A 124 4.017 -14.424 4.567 1.00 0.00 C ATOM 1805 O ASN A 124 4.892 -15.087 3.999 1.00 0.00 O ATOM 1806 CB ASN A 124 1.708 -15.378 4.755 1.00 0.00 C ATOM 1807 CG ASN A 124 0.974 -16.604 5.267 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.519 -17.708 5.287 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.276 -16.419 5.679 1.00 0.00 N ATOM 0 H ASN A 124 2.080 -13.671 6.683 1.00 0.00 H new ATOM 0 HA ASN A 124 3.483 -16.078 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.066 -14.504 4.860 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.911 -15.498 3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -0.820 -17.208 6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.691 -15.488 5.646 1.00 0.00 H new ATOM 1816 N MET A 125 3.895 -13.096 4.406 1.00 0.00 N ATOM 1817 CA MET A 125 4.787 -12.357 3.503 1.00 0.00 C ATOM 1818 C MET A 125 5.365 -11.094 4.162 1.00 0.00 C ATOM 1819 O MET A 125 5.289 -9.992 3.604 1.00 0.00 O ATOM 1820 CB MET A 125 4.047 -12.008 2.193 1.00 0.00 C ATOM 1821 CG MET A 125 3.686 -13.225 1.345 1.00 0.00 C ATOM 1822 SD MET A 125 2.937 -12.793 -0.240 1.00 0.00 S ATOM 1823 CE MET A 125 4.382 -12.466 -1.244 1.00 0.00 C ATOM 0 H MET A 125 3.199 -12.522 4.881 1.00 0.00 H new ATOM 0 HA MET A 125 5.632 -13.005 3.271 1.00 0.00 H new ATOM 0 HB2 MET A 125 3.135 -11.463 2.436 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.671 -11.337 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.585 -13.814 1.166 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.997 -13.858 1.904 1.00 0.00 H new ATOM 0 HE1 MET A 125 4.171 -12.726 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.638 -11.408 -1.180 1.00 0.00 H new ATOM 0 HE3 MET A 125 5.219 -13.064 -0.883 1.00 0.00 H new ATOM 1833 N ASN A 126 5.955 -11.267 5.357 1.00 0.00 N ATOM 1834 CA ASN A 126 6.579 -10.157 6.106 1.00 0.00 C ATOM 1835 C ASN A 126 7.781 -9.572 5.336 1.00 0.00 C ATOM 1836 O ASN A 126 7.979 -8.355 5.308 1.00 0.00 O ATOM 1837 CB ASN A 126 7.031 -10.658 7.486 1.00 0.00 C ATOM 1838 CG ASN A 126 7.121 -9.551 8.521 1.00 0.00 C ATOM 1839 OD1 ASN A 126 6.163 -9.283 9.246 1.00 0.00 O ATOM 1840 ND2 ASN A 126 8.277 -8.901 8.593 1.00 0.00 N ATOM 0 H ASN A 126 6.014 -12.169 5.829 1.00 0.00 H new ATOM 0 HA ASN A 126 5.840 -9.365 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.333 -11.419 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.005 -11.138 7.391 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.397 -8.147 9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.045 -9.156 7.972 1.00 0.00 H new ATOM 1847 N GLU A 127 8.566 -10.469 4.723 1.00 0.00 N ATOM 1848 CA GLU A 127 9.741 -10.103 3.925 1.00 0.00 C ATOM 1849 C GLU A 127 9.825 -11.012 2.698 1.00 0.00 C ATOM 1850 O GLU A 127 10.600 -11.977 2.655 1.00 0.00 O ATOM 1851 CB GLU A 127 11.024 -10.186 4.766 1.00 0.00 C ATOM 1852 CG GLU A 127 11.157 -9.059 5.772 1.00 0.00 C ATOM 1853 CD GLU A 127 12.387 -9.198 6.649 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.365 -10.040 7.572 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.372 -8.468 6.412 1.00 0.00 O ATOM 0 H GLU A 127 8.401 -11.475 4.768 1.00 0.00 H new ATOM 0 HA GLU A 127 9.639 -9.070 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 127 11.043 -11.139 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.887 -10.173 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.200 -8.108 5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.268 -9.033 6.402 1.00 0.00 H new ATOM 1862 N SER A 128 8.995 -10.689 1.712 1.00 0.00 N ATOM 1863 CA SER A 128 8.909 -11.453 0.466 1.00 0.00 C ATOM 1864 C SER A 128 9.196 -10.575 -0.756 1.00 0.00 C ATOM 1865 O SER A 128 9.189 -9.347 -0.659 1.00 0.00 O ATOM 1866 CB SER A 128 7.519 -12.086 0.352 1.00 0.00 C ATOM 1867 OG SER A 128 6.502 -11.105 0.469 1.00 0.00 O ATOM 0 H SER A 128 8.361 -9.891 1.751 1.00 0.00 H new ATOM 0 HA SER A 128 9.668 -12.235 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.426 -12.598 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.394 -12.839 1.130 1.00 0.00 H new ATOM 0 HG SER A 128 6.536 -10.505 -0.305 1.00 0.00 H new ATOM 1873 N GLU A 129 9.470 -11.222 -1.899 1.00 0.00 N ATOM 1874 CA GLU A 129 9.754 -10.514 -3.145 1.00 0.00 C ATOM 1875 C GLU A 129 8.466 -10.297 -3.952 1.00 0.00 C ATOM 1876 O GLU A 129 7.792 -11.257 -4.342 1.00 0.00 O ATOM 1877 CB GLU A 129 10.778 -11.309 -3.965 1.00 0.00 C ATOM 1878 CG GLU A 129 11.549 -10.472 -4.975 1.00 0.00 C ATOM 1879 CD GLU A 129 12.439 -11.305 -5.879 1.00 0.00 C ATOM 1880 OE1 GLU A 129 11.905 -12.151 -6.628 1.00 0.00 O ATOM 1881 OE2 GLU A 129 13.672 -11.113 -5.836 1.00 0.00 O ATOM 0 H GLU A 129 9.500 -12.238 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 129 10.170 -9.534 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.486 -11.780 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.261 -12.111 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.843 -9.910 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.161 -9.743 -4.443 1.00 0.00 H new ATOM 1888 N LEU A 130 8.142 -9.022 -4.179 1.00 0.00 N ATOM 1889 CA LEU A 130 6.954 -8.627 -4.935 1.00 0.00 C ATOM 1890 C LEU A 130 7.328 -7.593 -5.996 1.00 0.00 C ATOM 1891 O LEU A 130 8.009 -6.608 -5.695 1.00 0.00 O ATOM 1892 CB LEU A 130 5.884 -8.066 -3.980 1.00 0.00 C ATOM 1893 CG LEU A 130 4.475 -7.881 -4.574 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.664 -9.166 -4.457 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.757 -6.732 -3.883 1.00 0.00 C ATOM 0 H LEU A 130 8.697 -8.235 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 130 6.543 -9.502 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.809 -8.731 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.229 -7.101 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 130 4.578 -7.641 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.673 -9.011 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.170 -9.966 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.568 -9.442 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.763 -6.613 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.668 -6.946 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.325 -5.812 -4.022 1.00 0.00 H new ATOM 1907 N PHE A 131 6.877 -7.828 -7.248 1.00 0.00 N ATOM 1908 CA PHE A 131 7.147 -6.932 -8.404 1.00 0.00 C ATOM 1909 C PHE A 131 8.657 -6.826 -8.724 1.00 0.00 C ATOM 1910 O PHE A 131 9.085 -5.938 -9.472 1.00 0.00 O ATOM 1911 CB PHE A 131 6.545 -5.528 -8.169 1.00 0.00 C ATOM 1912 CG PHE A 131 6.034 -4.868 -9.421 1.00 0.00 C ATOM 1913 CD1 PHE A 131 4.722 -5.047 -9.831 1.00 0.00 C ATOM 1914 CD2 PHE A 131 6.867 -4.066 -10.186 1.00 0.00 C ATOM 1915 CE1 PHE A 131 4.251 -4.439 -10.979 1.00 0.00 C ATOM 1916 CE2 PHE A 131 6.402 -3.457 -11.335 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.092 -3.644 -11.733 1.00 0.00 C ATOM 0 H PHE A 131 6.315 -8.644 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 131 6.661 -7.381 -9.270 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.727 -5.609 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.303 -4.889 -7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.060 -5.669 -9.246 1.00 0.00 H new ATOM 0 HD2 PHE A 131 7.892 -3.916 -9.880 1.00 0.00 H new ATOM 0 HE1 PHE A 131 3.226 -4.585 -11.286 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.062 -2.835 -11.922 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.727 -3.170 -12.632 1.00 0.00 H new ATOM 1927 N GLY A 132 9.449 -7.753 -8.165 1.00 0.00 N ATOM 1928 CA GLY A 132 10.892 -7.761 -8.383 1.00 0.00 C ATOM 1929 C GLY A 132 11.669 -7.069 -7.270 1.00 0.00 C ATOM 1930 O GLY A 132 12.894 -6.944 -7.356 1.00 0.00 O ATOM 0 H GLY A 132 9.110 -8.502 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.234 -8.792 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.113 -7.271 -9.331 1.00 0.00 H new ATOM 1934 N ARG A 133 10.953 -6.623 -6.231 1.00 0.00 N ATOM 1935 CA ARG A 133 11.564 -5.939 -5.088 1.00 0.00 C ATOM 1936 C ARG A 133 11.173 -6.618 -3.779 1.00 0.00 C ATOM 1937 O ARG A 133 10.123 -7.258 -3.697 1.00 0.00 O ATOM 1938 CB ARG A 133 11.125 -4.469 -5.038 1.00 0.00 C ATOM 1939 CG ARG A 133 11.639 -3.616 -6.189 1.00 0.00 C ATOM 1940 CD ARG A 133 11.218 -2.163 -6.026 1.00 0.00 C ATOM 1941 NE ARG A 133 12.042 -1.456 -5.036 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.828 -0.403 -5.304 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.918 0.097 -6.536 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.531 0.154 -4.327 1.00 0.00 N ATOM 0 H ARG A 133 9.941 -6.726 -6.160 1.00 0.00 H new ATOM 0 HA ARG A 133 12.646 -5.991 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.036 -4.429 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.466 -4.033 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.726 -3.680 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.256 -4.005 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.292 -1.655 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.172 -2.121 -5.723 1.00 0.00 H new ATOM 0 HE ARG A 133 12.014 -1.791 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.383 -0.322 -7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.522 0.899 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.472 -0.219 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.131 0.955 -4.523 1.00 0.00 H new ATOM 1958 N THR A 134 12.024 -6.467 -2.753 1.00 0.00 N ATOM 1959 CA THR A 134 11.763 -7.046 -1.429 1.00 0.00 C ATOM 1960 C THR A 134 10.823 -6.130 -0.640 1.00 0.00 C ATOM 1961 O THR A 134 11.034 -4.913 -0.597 1.00 0.00 O ATOM 1962 CB THR A 134 13.073 -7.261 -0.628 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.157 -7.557 -1.518 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.929 -8.402 0.375 1.00 0.00 C ATOM 0 H THR A 134 12.900 -5.948 -2.816 1.00 0.00 H new ATOM 0 HA THR A 134 11.297 -8.020 -1.578 1.00 0.00 H new ATOM 0 HB THR A 134 13.280 -6.339 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.979 -7.689 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.864 -8.527 0.920 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.128 -8.170 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.692 -9.324 -0.155 1.00 0.00 H new ATOM 1972 N ILE A 135 9.797 -6.719 -0.023 1.00 0.00 N ATOM 1973 CA ILE A 135 8.815 -5.945 0.744 1.00 0.00 C ATOM 1974 C ILE A 135 8.824 -6.308 2.231 1.00 0.00 C ATOM 1975 O ILE A 135 9.195 -7.421 2.613 1.00 0.00 O ATOM 1976 CB ILE A 135 7.367 -6.072 0.170 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.923 -7.545 0.025 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.267 -5.348 -1.175 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.479 -7.795 0.416 1.00 0.00 C ATOM 0 H ILE A 135 9.623 -7.724 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 135 9.124 -4.904 0.644 1.00 0.00 H new ATOM 0 HB ILE A 135 6.690 -5.602 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.068 -7.857 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.569 -8.171 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.254 -5.443 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.506 -4.293 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.970 -5.791 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.245 -8.852 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.331 -7.516 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.822 -7.198 -0.216 1.00 0.00 H new ATOM 1991 N ARG A 136 8.407 -5.338 3.045 1.00 0.00 N ATOM 1992 CA ARG A 136 8.342 -5.482 4.498 1.00 0.00 C ATOM 1993 C ARG A 136 6.933 -5.140 4.983 1.00 0.00 C ATOM 1994 O ARG A 136 6.387 -4.096 4.610 1.00 0.00 O ATOM 1995 CB ARG A 136 9.383 -4.544 5.142 1.00 0.00 C ATOM 1996 CG ARG A 136 9.450 -4.587 6.670 1.00 0.00 C ATOM 1997 CD ARG A 136 10.739 -5.223 7.155 1.00 0.00 C ATOM 1998 NE ARG A 136 10.826 -5.239 8.620 1.00 0.00 N ATOM 1999 CZ ARG A 136 10.873 -6.348 9.373 1.00 0.00 C ATOM 2000 NH1 ARG A 136 10.842 -7.560 8.822 1.00 0.00 N ATOM 2001 NH2 ARG A 136 10.950 -6.240 10.692 1.00 0.00 N ATOM 0 H ARG A 136 8.103 -4.424 2.711 1.00 0.00 H new ATOM 0 HA ARG A 136 8.565 -6.510 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.367 -4.794 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.165 -3.521 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.371 -3.575 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.599 -5.148 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.805 -6.243 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.589 -4.676 6.747 1.00 0.00 H new ATOM 0 HE ARG A 136 10.853 -4.340 9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 136 10.781 -7.658 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 136 10.879 -8.390 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 136 10.973 -5.318 11.128 1.00 0.00 H new ATOM 0 HH22 ARG A 136 10.986 -7.079 11.271 1.00 0.00 H new ATOM 2015 N VAL A 137 6.353 -6.017 5.810 1.00 0.00 N ATOM 2016 CA VAL A 137 5.012 -5.782 6.346 1.00 0.00 C ATOM 2017 C VAL A 137 5.003 -5.965 7.869 1.00 0.00 C ATOM 2018 O VAL A 137 5.617 -6.895 8.396 1.00 0.00 O ATOM 2019 CB VAL A 137 3.890 -6.652 5.654 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.321 -7.185 4.289 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.412 -7.801 6.522 1.00 0.00 C ATOM 0 H VAL A 137 6.787 -6.887 6.119 1.00 0.00 H new ATOM 0 HA VAL A 137 4.763 -4.747 6.111 1.00 0.00 H new ATOM 0 HB VAL A 137 3.054 -5.967 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.513 -7.776 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.552 -6.349 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.206 -7.811 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.642 -8.361 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.250 -8.460 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.000 -7.408 7.451 1.00 0.00 H new ATOM 2031 N ASN A 138 4.313 -5.048 8.556 1.00 0.00 N ATOM 2032 CA ASN A 138 4.189 -5.067 10.020 1.00 0.00 C ATOM 2033 C ASN A 138 2.842 -4.472 10.450 1.00 0.00 C ATOM 2034 O ASN A 138 2.104 -3.937 9.620 1.00 0.00 O ATOM 2035 CB ASN A 138 5.359 -4.316 10.699 1.00 0.00 C ATOM 2036 CG ASN A 138 5.716 -2.995 10.031 1.00 0.00 C ATOM 2037 OD1 ASN A 138 6.368 -2.971 8.989 1.00 0.00 O ATOM 2038 ND2 ASN A 138 5.289 -1.893 10.635 1.00 0.00 N ATOM 0 H ASN A 138 3.824 -4.270 8.113 1.00 0.00 H new ATOM 0 HA ASN A 138 4.233 -6.106 10.345 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.100 -4.127 11.741 1.00 0.00 H new ATOM 0 HB3 ASN A 138 6.238 -4.960 10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 138 5.499 -0.978 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 138 4.751 -1.961 11.499 1.00 0.00 H new ATOM 2045 N LEU A 139 2.523 -4.579 11.749 1.00 0.00 N ATOM 2046 CA LEU A 139 1.268 -4.048 12.299 1.00 0.00 C ATOM 2047 C LEU A 139 1.278 -2.510 12.293 1.00 0.00 C ATOM 2048 O LEU A 139 2.204 -1.885 12.820 1.00 0.00 O ATOM 2049 CB LEU A 139 1.066 -4.578 13.731 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.364 -4.488 14.297 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -0.620 -5.621 15.278 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -0.601 -3.144 14.976 1.00 0.00 C ATOM 0 H LEU A 139 3.121 -5.031 12.441 1.00 0.00 H new ATOM 0 HA LEU A 139 0.440 -4.382 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.379 -5.622 13.757 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.732 -4.029 14.396 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.061 -4.578 13.463 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.635 -5.542 15.668 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.500 -6.577 14.769 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.091 -5.557 16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.618 -3.108 15.366 1.00 0.00 H new ATOM 0 HD22 LEU A 139 0.107 -3.021 15.796 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.461 -2.341 14.252 1.00 0.00 H new ATOM 2064 N ALA A 140 0.239 -1.922 11.688 1.00 0.00 N ATOM 2065 CA ALA A 140 0.106 -0.469 11.596 1.00 0.00 C ATOM 2066 C ALA A 140 -0.970 0.046 12.546 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.210 -0.056 10.164 1.00 0.00 C ATOM 0 H ALA A 140 -0.526 -2.438 11.253 1.00 0.00 H new ATOM 0 HA ALA A 140 1.057 -0.024 11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.306 1.028 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.595 -0.382 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.145 -0.519 9.850 1.00 0.00 H new