USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 MET CE :methyl 143:sc= -0.514 (180deg=-2.01!) USER MOD Set 1.2: A 128 SER OG : rot -76:sc=-0.00711 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-5.1!) USER MOD Single : A 91 THR OG1 : rot -172:sc= -2.45! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.976 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -3.58 K(o=-3.6,f=-4.5!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.830 -4.450 11.944 1.00 0.00 N ATOM 883 CA ARG A 64 -7.051 -4.793 10.535 1.00 0.00 C ATOM 884 C ARG A 64 -6.173 -3.958 9.584 1.00 0.00 C ATOM 885 O ARG A 64 -6.221 -4.150 8.364 1.00 0.00 O ATOM 886 CB ARG A 64 -8.531 -4.597 10.184 1.00 0.00 C ATOM 887 CG ARG A 64 -9.462 -5.617 10.821 1.00 0.00 C ATOM 888 CD ARG A 64 -10.914 -5.316 10.499 1.00 0.00 C ATOM 889 NE ARG A 64 -11.829 -6.282 11.117 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.556 -6.049 12.221 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.490 -4.880 12.856 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.354 -6.998 12.690 1.00 0.00 N ATOM 0 HA ARG A 64 -6.769 -5.837 10.403 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.837 -3.598 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.645 -4.643 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.208 -6.616 10.466 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.320 -5.617 11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.161 -4.312 10.844 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.054 -5.325 9.418 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.919 -7.197 10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.879 -4.143 12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.050 -4.722 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.412 -7.897 12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.910 -6.829 13.528 1.00 0.00 H new ATOM 906 N VAL A 65 -5.366 -3.044 10.146 1.00 0.00 N ATOM 907 CA VAL A 65 -4.487 -2.177 9.344 1.00 0.00 C ATOM 908 C VAL A 65 -3.040 -2.677 9.426 1.00 0.00 C ATOM 909 O VAL A 65 -2.522 -2.912 10.521 1.00 0.00 O ATOM 910 CB VAL A 65 -4.560 -0.685 9.810 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.860 0.248 8.820 1.00 0.00 C ATOM 912 CG2 VAL A 65 -6.007 -0.234 10.009 1.00 0.00 C ATOM 0 H VAL A 65 -5.304 -2.886 11.152 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.833 -2.221 8.311 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.041 -0.628 10.767 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.931 1.276 9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.811 -0.035 8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.339 0.168 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.022 0.807 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.551 -0.330 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.481 -0.857 10.767 1.00 0.00 H new ATOM 922 N LEU A 66 -2.405 -2.840 8.257 1.00 0.00 N ATOM 923 CA LEU A 66 -1.019 -3.324 8.183 1.00 0.00 C ATOM 924 C LEU A 66 -0.128 -2.344 7.420 1.00 0.00 C ATOM 925 O LEU A 66 -0.614 -1.536 6.623 1.00 0.00 O ATOM 926 CB LEU A 66 -0.934 -4.727 7.524 1.00 0.00 C ATOM 927 CG LEU A 66 -2.234 -5.550 7.434 1.00 0.00 C ATOM 928 CD1 LEU A 66 -2.039 -6.722 6.485 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.678 -6.050 8.805 1.00 0.00 C ATOM 0 H LEU A 66 -2.829 -2.644 7.350 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.660 -3.402 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.545 -4.601 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.201 -5.315 8.077 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.019 -4.899 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.961 -7.300 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.780 -6.349 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.235 -7.359 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.598 -6.626 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.899 -6.683 9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.855 -5.199 9.463 1.00 0.00 H new ATOM 941 N TYR A 67 1.180 -2.434 7.680 1.00 0.00 N ATOM 942 CA TYR A 67 2.184 -1.602 7.023 1.00 0.00 C ATOM 943 C TYR A 67 2.840 -2.396 5.899 1.00 0.00 C ATOM 944 O TYR A 67 3.154 -3.568 6.078 1.00 0.00 O ATOM 945 CB TYR A 67 3.253 -1.142 8.047 1.00 0.00 C ATOM 946 CG TYR A 67 4.503 -0.502 7.442 1.00 0.00 C ATOM 947 CD1 TYR A 67 5.610 -1.283 7.097 1.00 0.00 C ATOM 948 CD2 TYR A 67 4.572 0.864 7.207 1.00 0.00 C ATOM 949 CE1 TYR A 67 6.743 -0.717 6.538 1.00 0.00 C ATOM 950 CE2 TYR A 67 5.703 1.437 6.651 1.00 0.00 C ATOM 951 CZ TYR A 67 6.782 0.643 6.318 1.00 0.00 C ATOM 952 OH TYR A 67 7.904 1.214 5.762 1.00 0.00 O ATOM 0 H TYR A 67 1.571 -3.090 8.356 1.00 0.00 H new ATOM 0 HA TYR A 67 1.702 -0.717 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.794 -0.428 8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.557 -2.003 8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.581 -2.349 7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.730 1.490 7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.589 -1.336 6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.741 2.502 6.478 1.00 0.00 H new ATOM 0 HH TYR A 67 7.769 2.181 5.673 1.00 0.00 H new ATOM 962 N VAL A 68 3.020 -1.754 4.747 1.00 0.00 N ATOM 963 CA VAL A 68 3.685 -2.389 3.611 1.00 0.00 C ATOM 964 C VAL A 68 4.703 -1.430 3.002 1.00 0.00 C ATOM 965 O VAL A 68 4.336 -0.376 2.472 1.00 0.00 O ATOM 966 CB VAL A 68 2.695 -2.909 2.523 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.083 -4.228 2.965 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.589 -1.905 2.196 1.00 0.00 C ATOM 0 H VAL A 68 2.715 -0.796 4.575 1.00 0.00 H new ATOM 0 HA VAL A 68 4.195 -3.271 3.997 1.00 0.00 H new ATOM 0 HB VAL A 68 3.274 -3.053 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.393 -4.584 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.873 -4.964 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.543 -4.083 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.932 -2.323 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.012 -1.694 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.034 -0.982 1.825 1.00 0.00 H new ATOM 978 N GLY A 69 5.979 -1.811 3.086 1.00 0.00 N ATOM 979 CA GLY A 69 7.052 -0.983 2.564 1.00 0.00 C ATOM 980 C GLY A 69 8.011 -1.757 1.690 1.00 0.00 C ATOM 981 O GLY A 69 8.223 -2.950 1.906 1.00 0.00 O ATOM 0 H GLY A 69 6.287 -2.686 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.625 -0.161 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.601 -0.539 3.395 1.00 0.00 H new ATOM 985 N GLY A 70 8.590 -1.065 0.711 1.00 0.00 N ATOM 986 CA GLY A 70 9.535 -1.686 -0.205 1.00 0.00 C ATOM 987 C GLY A 70 8.951 -1.876 -1.592 1.00 0.00 C ATOM 988 O GLY A 70 9.458 -2.682 -2.379 1.00 0.00 O ATOM 0 H GLY A 70 8.419 -0.075 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.432 -1.070 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.842 -2.653 0.193 1.00 0.00 H new ATOM 992 N LEU A 71 7.881 -1.125 -1.886 1.00 0.00 N ATOM 993 CA LEU A 71 7.204 -1.189 -3.184 1.00 0.00 C ATOM 994 C LEU A 71 7.803 -0.165 -4.150 1.00 0.00 C ATOM 995 O LEU A 71 8.542 0.737 -3.738 1.00 0.00 O ATOM 996 CB LEU A 71 5.683 -0.935 -3.062 1.00 0.00 C ATOM 997 CG LEU A 71 4.984 -1.398 -1.776 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.105 -0.347 -0.687 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.522 -1.674 -2.063 1.00 0.00 C ATOM 0 H LEU A 71 7.464 -0.461 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 71 7.353 -2.198 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.512 0.136 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.193 -1.423 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 71 5.467 -2.311 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.602 -0.697 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.158 -0.168 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.642 0.581 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.027 -2.003 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.045 -0.764 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.441 -2.454 -2.820 1.00 0.00 H new ATOM 1011 N ALA A 72 7.472 -0.320 -5.431 1.00 0.00 N ATOM 1012 CA ALA A 72 7.956 0.570 -6.485 1.00 0.00 C ATOM 1013 C ALA A 72 6.999 1.741 -6.707 1.00 0.00 C ATOM 1014 O ALA A 72 5.817 1.656 -6.372 1.00 0.00 O ATOM 1015 CB ALA A 72 8.138 -0.214 -7.776 1.00 0.00 C ATOM 0 H ALA A 72 6.862 -1.065 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 72 8.916 0.980 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.499 0.453 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.862 -1.013 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.183 -0.645 -8.078 1.00 0.00 H new ATOM 1021 N GLU A 73 7.525 2.837 -7.265 1.00 0.00 N ATOM 1022 CA GLU A 73 6.728 4.047 -7.555 1.00 0.00 C ATOM 1023 C GLU A 73 5.668 3.773 -8.621 1.00 0.00 C ATOM 1024 O GLU A 73 4.621 4.425 -8.655 1.00 0.00 O ATOM 1025 CB GLU A 73 7.641 5.183 -8.009 1.00 0.00 C ATOM 1026 CG GLU A 73 8.596 5.637 -6.925 1.00 0.00 C ATOM 1027 CD GLU A 73 9.633 6.623 -7.425 1.00 0.00 C ATOM 1028 OE1 GLU A 73 10.579 6.191 -8.116 1.00 0.00 O ATOM 1029 OE2 GLU A 73 9.499 7.829 -7.125 1.00 0.00 O ATOM 0 H GLU A 73 8.507 2.916 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 73 6.218 4.339 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.213 4.858 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.031 6.028 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.027 6.095 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.102 4.767 -6.506 1.00 0.00 H new ATOM 1036 N GLU A 74 5.965 2.795 -9.487 1.00 0.00 N ATOM 1037 CA GLU A 74 5.062 2.384 -10.566 1.00 0.00 C ATOM 1038 C GLU A 74 3.880 1.553 -10.038 1.00 0.00 C ATOM 1039 O GLU A 74 2.972 1.211 -10.805 1.00 0.00 O ATOM 1040 CB GLU A 74 5.827 1.582 -11.630 1.00 0.00 C ATOM 1041 CG GLU A 74 6.855 2.397 -12.404 1.00 0.00 C ATOM 1042 CD GLU A 74 7.530 1.595 -13.500 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.400 0.761 -13.174 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.186 1.800 -14.683 1.00 0.00 O ATOM 0 H GLU A 74 6.838 2.268 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 74 4.660 3.292 -11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.332 0.746 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.111 1.158 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.367 3.267 -12.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.611 2.770 -11.714 1.00 0.00 H new ATOM 1051 N VAL A 75 3.887 1.240 -8.724 1.00 0.00 N ATOM 1052 CA VAL A 75 2.800 0.440 -8.122 1.00 0.00 C ATOM 1053 C VAL A 75 1.596 1.332 -7.779 1.00 0.00 C ATOM 1054 O VAL A 75 1.763 2.448 -7.277 1.00 0.00 O ATOM 1055 CB VAL A 75 3.248 -0.404 -6.870 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.617 -1.040 -7.084 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.233 0.400 -5.567 1.00 0.00 C ATOM 0 H VAL A 75 4.618 1.523 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 75 2.506 -0.287 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 75 2.506 -1.196 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.894 -1.614 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.580 -1.702 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.358 -0.259 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.551 -0.238 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.913 1.247 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.223 0.764 -5.375 1.00 0.00 H new ATOM 1067 N ASP A 76 0.397 0.824 -8.064 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.846 1.556 -7.806 1.00 0.00 C ATOM 1069 C ASP A 76 -1.733 0.791 -6.818 1.00 0.00 C ATOM 1070 O ASP A 76 -1.372 -0.302 -6.369 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.596 1.808 -9.128 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.849 2.732 -10.082 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -0.202 3.692 -9.608 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.912 2.492 -11.305 1.00 0.00 O ATOM 0 H ASP A 76 0.259 -0.098 -8.477 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.596 2.518 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.774 0.854 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.572 2.239 -8.907 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.900 1.375 -6.481 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.862 0.762 -5.547 1.00 0.00 C ATOM 1081 C ASP A 77 -4.338 -0.608 -6.044 1.00 0.00 C ATOM 1082 O ASP A 77 -4.645 -1.497 -5.246 1.00 0.00 O ATOM 1083 CB ASP A 77 -5.072 1.682 -5.348 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.735 2.936 -4.565 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.558 2.835 -3.333 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.647 4.018 -5.183 1.00 0.00 O ATOM 0 H ASP A 77 -3.200 2.279 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.348 0.621 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.472 1.964 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.857 1.134 -4.827 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.385 -0.753 -7.376 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.819 -1.989 -8.044 1.00 0.00 C ATOM 1093 C LYS A 78 -3.805 -3.110 -7.821 1.00 0.00 C ATOM 1094 O LYS A 78 -4.171 -4.266 -7.592 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.973 -1.736 -9.548 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.011 -0.683 -9.894 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.072 -0.448 -11.390 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.980 0.721 -11.728 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.794 1.182 -13.132 1.00 0.00 N ATOM 0 H LYS A 78 -4.121 -0.011 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.776 -2.292 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.009 -1.429 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.242 -2.672 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.989 -1.000 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.770 0.251 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.069 -0.254 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.434 -1.348 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.019 0.429 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.778 1.546 -11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.432 1.981 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.809 1.485 -13.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.011 0.402 -13.785 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.521 -2.729 -7.893 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.394 -3.634 -7.707 1.00 0.00 C ATOM 1115 C VAL A 79 -1.312 -4.143 -6.257 1.00 0.00 C ATOM 1116 O VAL A 79 -1.169 -5.349 -6.023 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.063 -2.921 -8.085 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.038 -3.924 -8.312 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.213 -2.048 -9.328 1.00 0.00 C ATOM 0 H VAL A 79 -2.240 -1.768 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.549 -4.491 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 79 0.196 -2.278 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.958 -3.401 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.197 -4.502 -7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.757 -4.595 -9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.740 -1.570 -9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.518 -2.666 -10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.968 -1.283 -9.146 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.425 -3.213 -5.293 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.357 -3.547 -3.864 1.00 0.00 C ATOM 1131 C LEU A 80 -2.574 -4.369 -3.414 1.00 0.00 C ATOM 1132 O LEU A 80 -2.437 -5.312 -2.629 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.247 -2.265 -3.023 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.469 -2.403 -1.704 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.148 -1.070 -1.314 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.363 -2.923 -0.583 1.00 0.00 C ATOM 0 H LEU A 80 -1.564 -2.220 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.467 -4.157 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.769 -1.495 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.253 -1.913 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 80 0.328 -3.130 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.696 -1.182 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.831 -0.742 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.640 -0.328 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.782 -3.009 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.190 -2.230 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.757 -3.902 -0.856 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.759 -4.006 -3.933 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.019 -4.691 -3.603 1.00 0.00 C ATOM 1150 C HIS A 81 -5.053 -6.122 -4.173 1.00 0.00 C ATOM 1151 O HIS A 81 -5.388 -7.071 -3.461 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.207 -3.875 -4.136 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.501 -4.129 -3.420 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.371 -5.139 -3.772 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.071 -3.492 -2.370 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.422 -5.111 -2.971 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.263 -4.122 -2.112 1.00 0.00 N ATOM 0 H HIS A 81 -3.870 -3.233 -4.590 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.089 -4.769 -2.518 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.967 -2.814 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.341 -4.099 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.664 -2.646 -1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.267 -5.783 -3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.920 -3.867 -1.375 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.692 -6.251 -5.458 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.677 -7.543 -6.163 1.00 0.00 C ATOM 1168 C ALA A 82 -3.556 -8.478 -5.685 1.00 0.00 C ATOM 1169 O ALA A 82 -3.638 -9.694 -5.888 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.561 -7.315 -7.662 1.00 0.00 C ATOM 0 H ALA A 82 -4.402 -5.464 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.619 -8.039 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.551 -8.276 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.412 -6.728 -8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.637 -6.778 -7.878 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.516 -7.909 -5.054 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.372 -8.688 -4.570 1.00 0.00 C ATOM 1178 C ALA A 83 -1.656 -9.288 -3.198 1.00 0.00 C ATOM 1179 O ALA A 83 -1.186 -10.383 -2.875 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.130 -7.814 -4.511 1.00 0.00 C ATOM 0 H ALA A 83 -2.447 -6.908 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.200 -9.506 -5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.713 -8.403 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.094 -7.432 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.305 -6.978 -3.833 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.431 -8.548 -2.410 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.799 -8.954 -1.060 1.00 0.00 C ATOM 1188 C PHE A 84 -4.232 -9.507 -0.985 1.00 0.00 C ATOM 1189 O PHE A 84 -4.696 -9.895 0.093 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.651 -7.753 -0.129 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.226 -7.373 0.164 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.557 -6.464 -0.641 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.556 -7.921 1.245 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.751 -6.111 -0.374 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.753 -7.572 1.517 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.407 -6.666 0.706 1.00 0.00 C ATOM 0 H PHE A 84 -2.821 -7.649 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.133 -9.761 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.159 -6.898 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.158 -7.971 0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.065 -6.026 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.063 -8.630 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.260 -5.401 -1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.264 -8.007 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.430 -6.392 0.916 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.924 -9.556 -2.139 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.309 -10.053 -2.212 1.00 0.00 C ATOM 1208 C ILE A 85 -6.442 -11.596 -1.982 1.00 0.00 C ATOM 1209 O ILE A 85 -7.463 -12.016 -1.430 1.00 0.00 O ATOM 1210 CB ILE A 85 -7.015 -9.592 -3.541 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.540 -9.795 -3.468 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.450 -10.283 -4.783 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.288 -8.641 -2.827 1.00 0.00 C ATOM 0 H ILE A 85 -4.543 -9.256 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.834 -9.594 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.806 -8.527 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.924 -9.948 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.748 -10.706 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.975 -9.926 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.388 -10.056 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.584 -11.361 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.355 -8.862 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.934 -8.500 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.113 -7.731 -3.400 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.449 -12.471 -2.386 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.558 -13.937 -2.171 1.00 0.00 C ATOM 1227 C PRO A 86 -5.723 -14.341 -0.695 1.00 0.00 C ATOM 1228 O PRO A 86 -6.239 -15.422 -0.400 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.244 -14.503 -2.723 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.321 -13.342 -2.835 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.184 -12.141 -3.086 1.00 0.00 C ATOM 0 HA PRO A 86 -6.451 -14.322 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.836 -15.265 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.398 -14.976 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.739 -13.219 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.610 -13.487 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.732 -11.232 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.346 -11.979 -4.152 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.279 -13.461 0.218 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.360 -13.712 1.668 1.00 0.00 C ATOM 1241 C PHE A 87 -6.767 -13.454 2.220 1.00 0.00 C ATOM 1242 O PHE A 87 -7.188 -14.107 3.179 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.350 -12.833 2.425 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.932 -12.977 1.942 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.131 -14.019 2.385 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.406 -12.069 1.035 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.835 -14.156 1.930 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -1.109 -12.201 0.580 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.323 -13.246 1.027 1.00 0.00 C ATOM 0 H PHE A 87 -4.858 -12.564 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.122 -14.765 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.651 -11.789 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.389 -13.083 3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.526 -14.731 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.016 -11.251 0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.223 -14.974 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.709 -11.488 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.691 -13.351 0.670 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.481 -12.503 1.604 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.827 -12.166 2.043 1.00 0.00 C ATOM 1261 C GLY A 88 -9.356 -10.897 1.403 1.00 0.00 C ATOM 1262 O GLY A 88 -8.815 -10.428 0.397 1.00 0.00 O ATOM 0 H GLY A 88 -7.146 -11.961 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.498 -12.992 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.832 -12.050 3.127 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.423 -10.346 1.997 1.00 0.00 N ATOM 1267 CA ASP A 89 -11.061 -9.119 1.505 1.00 0.00 C ATOM 1268 C ASP A 89 -10.339 -7.865 2.000 1.00 0.00 C ATOM 1269 O ASP A 89 -9.986 -7.767 3.179 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.529 -9.072 1.947 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.396 -10.123 1.266 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.233 -10.337 0.044 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.238 -10.731 1.959 1.00 0.00 O ATOM 0 H ASP A 89 -10.866 -10.737 2.828 1.00 0.00 H new ATOM 0 HA ASP A 89 -11.003 -9.136 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.581 -9.212 3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.934 -8.083 1.734 1.00 0.00 H new ATOM 1278 N ILE A 90 -10.130 -6.916 1.081 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.462 -5.649 1.398 1.00 0.00 C ATOM 1280 C ILE A 90 -10.437 -4.491 1.175 1.00 0.00 C ATOM 1281 O ILE A 90 -11.206 -4.498 0.208 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.166 -5.439 0.551 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.237 -6.657 0.674 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.417 -4.175 0.994 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.479 -6.983 -0.596 1.00 0.00 C ATOM 0 H ILE A 90 -10.416 -7.003 0.106 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.158 -5.681 2.444 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.467 -5.321 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.521 -6.476 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.829 -7.525 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.519 -4.053 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.062 -3.306 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.137 -4.267 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.846 -7.854 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.186 -7.197 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.859 -6.132 -0.878 1.00 0.00 H new ATOM 1297 N THR A 91 -10.394 -3.502 2.076 1.00 0.00 N ATOM 1298 CA THR A 91 -11.280 -2.339 1.998 1.00 0.00 C ATOM 1299 C THR A 91 -10.688 -1.212 1.145 1.00 0.00 C ATOM 1300 O THR A 91 -11.250 -0.874 0.098 1.00 0.00 O ATOM 1301 CB THR A 91 -11.634 -1.794 3.401 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.464 -1.748 4.225 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.697 -2.655 4.070 1.00 0.00 C ATOM 0 H THR A 91 -9.752 -3.486 2.869 1.00 0.00 H new ATOM 0 HA THR A 91 -12.192 -2.690 1.515 1.00 0.00 H new ATOM 0 HB THR A 91 -12.030 -0.786 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.720 -1.523 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.927 -2.249 5.055 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.600 -2.659 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.326 -3.675 4.175 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.555 -0.630 1.589 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.911 0.473 0.858 1.00 0.00 C ATOM 1313 C ASP A 92 -7.385 0.450 0.991 1.00 0.00 C ATOM 1314 O ASP A 92 -6.836 -0.124 1.942 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.440 1.833 1.358 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.895 2.088 0.989 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.290 1.777 -0.156 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.642 2.599 1.851 1.00 0.00 O ATOM 0 H ASP A 92 -9.072 -0.905 2.444 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.161 0.337 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.334 1.880 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.823 2.630 0.943 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.723 1.084 0.010 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.263 1.206 -0.023 1.00 0.00 C ATOM 1325 C ILE A 93 -4.900 2.697 0.004 1.00 0.00 C ATOM 1326 O ILE A 93 -5.425 3.475 -0.799 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.631 0.542 -1.302 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -5.145 -0.906 -1.560 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.100 0.542 -1.228 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -5.193 -1.830 -0.348 1.00 0.00 C ATOM 0 H ILE A 93 -7.189 1.526 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.861 0.683 0.844 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.954 1.156 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.148 -0.843 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.509 -1.366 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.692 0.077 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.739 1.568 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.778 -0.019 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.566 -2.808 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.191 -1.937 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.856 -1.406 0.407 1.00 0.00 H new ATOM 1342 N GLN A 94 -4.009 3.086 0.922 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.591 4.488 1.040 1.00 0.00 C ATOM 1344 C GLN A 94 -2.114 4.666 0.703 1.00 0.00 C ATOM 1345 O GLN A 94 -1.261 3.932 1.206 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.873 5.030 2.447 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.354 5.196 2.758 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.598 5.854 4.101 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.528 5.207 5.145 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.886 7.150 4.082 1.00 0.00 N ATOM 0 H GLN A 94 -3.566 2.455 1.590 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.177 5.057 0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.431 4.356 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.378 5.994 2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.821 5.793 1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.836 4.219 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.934 7.649 3.194 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.059 7.647 4.956 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.833 5.659 -0.147 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.468 5.975 -0.582 1.00 0.00 C ATOM 1361 C ILE A 95 -0.170 7.472 -0.329 1.00 0.00 C ATOM 1362 O ILE A 95 -0.639 8.324 -1.092 1.00 0.00 O ATOM 1363 CB ILE A 95 -0.262 5.606 -2.095 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.300 4.083 -2.292 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.054 6.156 -2.656 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.685 3.534 -2.559 1.00 0.00 C ATOM 0 H ILE A 95 -2.545 6.266 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 95 0.233 5.377 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.082 6.070 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.352 3.818 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.106 3.601 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.149 5.874 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.060 7.243 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.891 5.743 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.629 2.453 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.337 3.767 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.087 3.986 -3.465 1.00 0.00 H new ATOM 1378 N PRO A 96 0.604 7.827 0.751 1.00 0.00 N ATOM 1379 CA PRO A 96 0.944 9.236 1.059 1.00 0.00 C ATOM 1380 C PRO A 96 1.705 9.921 -0.084 1.00 0.00 C ATOM 1381 O PRO A 96 2.775 9.458 -0.497 1.00 0.00 O ATOM 1382 CB PRO A 96 1.832 9.140 2.308 1.00 0.00 C ATOM 1383 CG PRO A 96 1.517 7.813 2.908 1.00 0.00 C ATOM 1384 CD PRO A 96 1.189 6.906 1.756 1.00 0.00 C ATOM 0 HA PRO A 96 0.047 9.838 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.888 9.214 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.618 9.949 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.365 7.431 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.677 7.886 3.599 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.078 6.405 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.484 6.127 2.046 1.00 0.00 H new ATOM 1392 N LEU A 97 1.130 11.014 -0.592 1.00 0.00 N ATOM 1393 CA LEU A 97 1.728 11.769 -1.692 1.00 0.00 C ATOM 1394 C LEU A 97 1.801 13.259 -1.356 1.00 0.00 C ATOM 1395 O LEU A 97 0.832 13.834 -0.851 1.00 0.00 O ATOM 1396 CB LEU A 97 0.907 11.558 -2.975 1.00 0.00 C ATOM 1397 CG LEU A 97 1.623 11.904 -4.285 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.266 10.664 -4.889 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.653 12.538 -5.271 1.00 0.00 C ATOM 0 H LEU A 97 0.246 11.396 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 97 2.744 11.405 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.595 10.515 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.000 12.160 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 97 2.411 12.625 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.769 10.931 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.993 10.253 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.497 9.919 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.178 12.777 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.157 11.840 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.242 13.451 -4.841 1.00 0.00 H new ATOM 1411 N ASP A 98 2.958 13.871 -1.641 1.00 0.00 N ATOM 1412 CA ASP A 98 3.169 15.302 -1.393 1.00 0.00 C ATOM 1413 C ASP A 98 2.711 16.120 -2.597 1.00 0.00 C ATOM 1414 O ASP A 98 2.909 15.709 -3.740 1.00 0.00 O ATOM 1415 CB ASP A 98 4.647 15.606 -1.097 1.00 0.00 C ATOM 1416 CG ASP A 98 5.175 14.886 0.135 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.495 14.913 1.185 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.272 14.293 0.049 1.00 0.00 O ATOM 0 H ASP A 98 3.764 13.395 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 98 2.579 15.577 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.249 15.323 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.770 16.681 -0.962 1.00 0.00 H new ATOM 1423 N TYR A 99 2.084 17.271 -2.330 1.00 0.00 N ATOM 1424 CA TYR A 99 1.588 18.171 -3.388 1.00 0.00 C ATOM 1425 C TYR A 99 2.724 18.754 -4.239 1.00 0.00 C ATOM 1426 O TYR A 99 2.564 18.971 -5.443 1.00 0.00 O ATOM 1427 CB TYR A 99 0.779 19.317 -2.768 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.502 18.876 -2.093 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.623 18.555 -2.844 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.590 18.787 -0.710 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.799 18.156 -2.238 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.762 18.388 -0.094 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.863 18.073 -0.862 1.00 0.00 C ATOM 1434 OH TYR A 99 -4.032 17.677 -0.254 1.00 0.00 O ATOM 0 H TYR A 99 1.905 17.607 -1.384 1.00 0.00 H new ATOM 0 HA TYR A 99 0.954 17.574 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.402 19.834 -2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.536 20.039 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.576 18.618 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.271 19.033 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.663 17.911 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.815 18.323 0.983 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.909 17.670 0.718 1.00 0.00 H new ATOM 1444 N GLU A 100 3.864 18.998 -3.585 1.00 0.00 N ATOM 1445 CA GLU A 100 5.053 19.580 -4.226 1.00 0.00 C ATOM 1446 C GLU A 100 5.781 18.586 -5.156 1.00 0.00 C ATOM 1447 O GLU A 100 6.098 18.930 -6.298 1.00 0.00 O ATOM 1448 CB GLU A 100 6.009 20.090 -3.131 1.00 0.00 C ATOM 1449 CG GLU A 100 7.109 21.026 -3.630 1.00 0.00 C ATOM 1450 CD GLU A 100 8.110 21.387 -2.548 1.00 0.00 C ATOM 1451 OE1 GLU A 100 8.802 20.474 -2.046 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.203 22.583 -2.200 1.00 0.00 O ATOM 0 H GLU A 100 3.991 18.798 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 100 4.723 20.404 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.425 20.610 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.473 19.232 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.633 20.553 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.655 21.938 -4.018 1.00 0.00 H new ATOM 1459 N THR A 101 6.039 17.368 -4.660 1.00 0.00 N ATOM 1460 CA THR A 101 6.760 16.347 -5.438 1.00 0.00 C ATOM 1461 C THR A 101 5.832 15.416 -6.213 1.00 0.00 C ATOM 1462 O THR A 101 6.203 14.942 -7.288 1.00 0.00 O ATOM 1463 CB THR A 101 7.669 15.495 -4.523 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.918 14.995 -3.408 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.860 16.303 -4.019 1.00 0.00 C ATOM 0 H THR A 101 5.761 17.065 -3.727 1.00 0.00 H new ATOM 0 HA THR A 101 7.361 16.899 -6.160 1.00 0.00 H new ATOM 0 HB THR A 101 8.046 14.659 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.502 14.455 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.480 15.676 -3.378 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.450 16.650 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.503 17.162 -3.450 1.00 0.00 H new ATOM 1473 N GLU A 102 4.605 15.191 -5.694 1.00 0.00 N ATOM 1474 CA GLU A 102 3.605 14.289 -6.326 1.00 0.00 C ATOM 1475 C GLU A 102 4.231 12.905 -6.653 1.00 0.00 C ATOM 1476 O GLU A 102 3.850 12.241 -7.627 1.00 0.00 O ATOM 1477 CB GLU A 102 3.009 14.960 -7.591 1.00 0.00 C ATOM 1478 CG GLU A 102 1.704 14.339 -8.088 1.00 0.00 C ATOM 1479 CD GLU A 102 1.222 14.947 -9.393 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.937 14.820 -10.410 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.128 15.549 -9.398 1.00 0.00 O ATOM 0 H GLU A 102 4.277 15.624 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 102 2.793 14.115 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.836 16.015 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.746 14.913 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.846 13.267 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.934 14.466 -7.327 1.00 0.00 H new ATOM 1488 N LYS A 103 5.187 12.485 -5.809 1.00 0.00 N ATOM 1489 CA LYS A 103 5.903 11.218 -5.996 1.00 0.00 C ATOM 1490 C LYS A 103 5.663 10.264 -4.824 1.00 0.00 C ATOM 1491 O LYS A 103 5.361 10.701 -3.709 1.00 0.00 O ATOM 1492 CB LYS A 103 7.418 11.466 -6.135 1.00 0.00 C ATOM 1493 CG LYS A 103 7.811 12.478 -7.209 1.00 0.00 C ATOM 1494 CD LYS A 103 9.304 12.450 -7.486 1.00 0.00 C ATOM 1495 CE LYS A 103 9.708 13.537 -8.470 1.00 0.00 C ATOM 1496 NZ LYS A 103 10.869 13.125 -9.306 1.00 0.00 N ATOM 0 H LYS A 103 5.482 13.010 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 103 5.519 10.762 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.804 11.809 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.907 10.517 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.266 12.264 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.518 13.479 -6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.851 12.581 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.583 11.475 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.862 13.775 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.958 14.446 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.113 13.893 -9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.684 12.922 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.622 12.272 -9.847 1.00 0.00 H new ATOM 1510 N HIS A 104 5.802 8.959 -5.095 1.00 0.00 N ATOM 1511 CA HIS A 104 5.631 7.916 -4.083 1.00 0.00 C ATOM 1512 C HIS A 104 7.001 7.503 -3.534 1.00 0.00 C ATOM 1513 O HIS A 104 7.981 7.436 -4.282 1.00 0.00 O ATOM 1514 CB HIS A 104 4.871 6.719 -4.686 1.00 0.00 C ATOM 1515 CG HIS A 104 4.748 5.510 -3.799 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.074 4.243 -4.225 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.307 5.372 -2.526 1.00 0.00 C ATOM 1518 CE1 HIS A 104 4.831 3.376 -3.262 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.366 4.036 -2.217 1.00 0.00 N ATOM 0 H HIS A 104 6.036 8.601 -6.021 1.00 0.00 H new ATOM 0 HA HIS A 104 5.038 8.298 -3.252 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.869 7.049 -4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.372 6.421 -5.607 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.971 6.166 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 104 4.986 2.309 -3.318 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.095 3.621 -1.326 1.00 0.00 H new ATOM 1528 N ARG A 105 7.050 7.229 -2.228 1.00 0.00 N ATOM 1529 CA ARG A 105 8.298 6.856 -1.551 1.00 0.00 C ATOM 1530 C ARG A 105 8.515 5.335 -1.459 1.00 0.00 C ATOM 1531 O ARG A 105 9.553 4.897 -0.946 1.00 0.00 O ATOM 1532 CB ARG A 105 8.338 7.479 -0.147 1.00 0.00 C ATOM 1533 CG ARG A 105 8.439 9.005 -0.134 1.00 0.00 C ATOM 1534 CD ARG A 105 9.887 9.482 -0.141 1.00 0.00 C ATOM 1535 NE ARG A 105 10.527 9.325 1.172 1.00 0.00 N ATOM 1536 CZ ARG A 105 11.682 9.903 1.534 1.00 0.00 C ATOM 1537 NH1 ARG A 105 12.352 10.692 0.695 1.00 0.00 N ATOM 1538 NH2 ARG A 105 12.168 9.690 2.750 1.00 0.00 N ATOM 0 H ARG A 105 6.236 7.258 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 105 9.112 7.248 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.440 7.182 0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.188 7.066 0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.920 9.410 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.933 9.394 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 105 10.449 8.921 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.921 10.530 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 105 10.059 8.733 1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.988 10.866 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.229 11.122 0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.664 9.090 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.046 10.126 3.032 1.00 0.00 H new ATOM 1552 N GLY A 106 7.561 4.530 -1.956 1.00 0.00 N ATOM 1553 CA GLY A 106 7.718 3.077 -1.904 1.00 0.00 C ATOM 1554 C GLY A 106 7.131 2.418 -0.662 1.00 0.00 C ATOM 1555 O GLY A 106 7.543 1.308 -0.313 1.00 0.00 O ATOM 0 H GLY A 106 6.696 4.855 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.248 2.642 -2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.780 2.838 -1.958 1.00 0.00 H new ATOM 1559 N PHE A 107 6.197 3.100 0.026 1.00 0.00 N ATOM 1560 CA PHE A 107 5.537 2.528 1.210 1.00 0.00 C ATOM 1561 C PHE A 107 4.081 2.985 1.306 1.00 0.00 C ATOM 1562 O PHE A 107 3.739 4.098 0.897 1.00 0.00 O ATOM 1563 CB PHE A 107 6.306 2.818 2.522 1.00 0.00 C ATOM 1564 CG PHE A 107 6.461 4.273 2.895 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.469 4.928 3.610 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.609 4.970 2.560 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.618 6.251 3.978 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.762 6.295 2.925 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.766 6.935 3.633 1.00 0.00 C ATOM 0 H PHE A 107 5.885 4.040 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 107 5.546 1.446 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.796 2.307 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.300 2.377 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.569 4.397 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.393 4.474 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.838 6.749 4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.661 6.829 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.884 7.970 3.917 1.00 0.00 H new ATOM 1579 N ALA A 108 3.234 2.102 1.859 1.00 0.00 N ATOM 1580 CA ALA A 108 1.794 2.358 2.019 1.00 0.00 C ATOM 1581 C ALA A 108 1.203 1.480 3.131 1.00 0.00 C ATOM 1582 O ALA A 108 1.897 0.624 3.686 1.00 0.00 O ATOM 1583 CB ALA A 108 1.065 2.096 0.700 1.00 0.00 C ATOM 0 H ALA A 108 3.529 1.190 2.208 1.00 0.00 H new ATOM 0 HA ALA A 108 1.661 3.403 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.000 2.288 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.462 2.755 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.213 1.058 0.402 1.00 0.00 H new ATOM 1589 N PHE A 109 -0.071 1.727 3.476 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.775 0.932 4.487 1.00 0.00 C ATOM 1591 C PHE A 109 -1.970 0.238 3.838 1.00 0.00 C ATOM 1592 O PHE A 109 -2.557 0.770 2.889 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.252 1.794 5.666 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.150 2.529 6.381 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.519 1.939 7.441 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.210 3.809 5.993 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.530 2.613 8.100 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.220 4.488 6.649 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.880 3.889 7.704 1.00 0.00 C ATOM 0 H PHE A 109 -0.633 2.473 3.067 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.077 0.194 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.979 2.519 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.771 1.156 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.248 0.942 7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.304 4.282 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.046 2.142 8.924 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.492 5.485 6.337 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.669 4.418 8.219 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.328 -0.938 4.352 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.449 -1.707 3.807 1.00 0.00 C ATOM 1611 C VAL A 110 -4.468 -2.059 4.904 1.00 0.00 C ATOM 1612 O VAL A 110 -4.088 -2.461 6.008 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.937 -2.990 3.060 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.195 -3.957 3.992 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -4.074 -3.714 2.338 1.00 0.00 C ATOM 0 H VAL A 110 -1.860 -1.379 5.143 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.963 -1.083 3.076 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.222 -2.640 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.863 -4.826 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.330 -3.454 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.864 -4.279 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.681 -4.596 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.830 -4.017 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.523 -3.045 1.603 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.757 -1.901 4.575 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.840 -2.208 5.507 1.00 0.00 C ATOM 1627 C GLU A 111 -7.609 -3.449 5.065 1.00 0.00 C ATOM 1628 O GLU A 111 -8.024 -3.550 3.908 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.798 -1.017 5.615 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.935 -0.447 7.022 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.910 -1.225 7.891 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -10.113 -1.259 7.555 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -8.467 -1.800 8.907 1.00 0.00 O ATOM 0 H GLU A 111 -6.072 -1.561 3.666 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.398 -2.406 6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.453 -0.227 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.783 -1.325 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.956 -0.441 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.264 0.590 6.956 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.794 -4.383 6.000 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.521 -5.624 5.737 1.00 0.00 C ATOM 1642 C PHE A 112 -9.866 -5.630 6.452 1.00 0.00 C ATOM 1643 O PHE A 112 -9.979 -5.123 7.571 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.699 -6.839 6.180 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.752 -7.363 5.134 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -7.193 -8.268 4.179 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.424 -6.965 5.108 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -6.331 -8.765 3.222 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.558 -7.459 4.150 1.00 0.00 C ATOM 1650 CZ PHE A 112 -5.013 -8.359 3.208 1.00 0.00 C ATOM 0 H PHE A 112 -7.446 -4.300 6.955 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.694 -5.683 4.662 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.128 -6.571 7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.381 -7.639 6.468 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -8.225 -8.588 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.062 -6.262 5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.688 -9.470 2.486 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.526 -7.141 4.139 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.337 -8.745 2.460 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.886 -6.204 5.795 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.239 -6.300 6.366 1.00 0.00 C ATOM 1662 C GLU A 113 -12.250 -7.250 7.579 1.00 0.00 C ATOM 1663 O GLU A 113 -12.957 -7.006 8.561 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.229 -6.777 5.286 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.698 -6.590 5.647 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.637 -7.215 4.630 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.613 -8.455 4.479 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.400 -6.463 3.988 1.00 0.00 O ATOM 0 H GLU A 113 -10.799 -6.610 4.864 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.548 -5.314 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.024 -6.239 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.049 -7.833 5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.886 -7.030 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.915 -5.525 5.729 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.457 -8.326 7.484 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.335 -9.313 8.558 1.00 0.00 C ATOM 1677 C LEU A 114 -10.007 -9.165 9.282 1.00 0.00 C ATOM 1678 O LEU A 114 -8.980 -8.882 8.662 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.449 -10.740 8.005 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.851 -11.180 7.568 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.168 -10.675 6.167 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.969 -12.694 7.624 1.00 0.00 C ATOM 0 H LEU A 114 -10.886 -8.533 6.664 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.149 -9.133 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.778 -10.832 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.093 -11.433 8.767 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.575 -10.745 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.168 -11.001 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.123 -9.586 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.440 -11.076 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.969 -12.993 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.232 -13.141 6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.791 -13.035 8.644 1.00 0.00 H new ATOM 1694 N ALA A 115 -10.043 -9.339 10.604 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.837 -9.271 11.441 1.00 0.00 C ATOM 1696 C ALA A 115 -7.993 -10.544 11.284 1.00 0.00 C ATOM 1697 O ALA A 115 -6.780 -10.532 11.514 1.00 0.00 O ATOM 1698 CB ALA A 115 -9.220 -9.066 12.900 1.00 0.00 C ATOM 0 H ALA A 115 -10.899 -9.530 11.124 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.238 -8.422 11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.318 -9.017 13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.778 -8.135 13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.839 -9.899 13.234 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.667 -11.636 10.879 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.037 -12.948 10.674 1.00 0.00 C ATOM 1706 C GLU A 116 -7.152 -12.981 9.420 1.00 0.00 C ATOM 1707 O GLU A 116 -6.000 -13.424 9.477 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.124 -14.030 10.566 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.837 -14.358 11.878 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.929 -14.972 12.939 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.259 -15.986 12.642 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -8.890 -14.435 14.066 1.00 0.00 O ATOM 0 H GLU A 116 -9.668 -11.630 10.685 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.394 -13.140 11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.867 -13.707 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.671 -14.942 10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.280 -13.446 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.656 -15.047 11.672 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.700 -12.495 8.292 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.972 -12.458 7.012 1.00 0.00 C ATOM 1721 C ASP A 117 -5.781 -11.485 7.055 1.00 0.00 C ATOM 1722 O ASP A 117 -4.761 -11.717 6.399 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.928 -12.156 5.830 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.688 -10.832 5.922 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.156 -9.863 6.499 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.824 -10.771 5.405 1.00 0.00 O ATOM 0 H ASP A 117 -8.648 -12.121 8.242 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.555 -13.451 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.349 -12.159 4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.653 -12.967 5.755 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.931 -10.400 7.834 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.880 -9.386 8.003 1.00 0.00 C ATOM 1733 C ALA A 118 -3.670 -9.963 8.745 1.00 0.00 C ATOM 1734 O ALA A 118 -2.518 -9.727 8.356 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.436 -8.191 8.757 1.00 0.00 C ATOM 0 H ALA A 118 -6.781 -10.203 8.362 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.548 -9.067 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.654 -7.442 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.265 -7.760 8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.789 -8.511 9.737 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.951 -10.733 9.812 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.911 -11.392 10.611 1.00 0.00 C ATOM 1743 C ALA A 119 -2.176 -12.436 9.770 1.00 0.00 C ATOM 1744 O ALA A 119 -0.997 -12.722 9.999 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.520 -12.038 11.847 1.00 0.00 C ATOM 0 H ALA A 119 -4.900 -10.913 10.140 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.192 -10.639 10.934 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.735 -12.522 12.428 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.004 -11.274 12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.258 -12.781 11.543 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.907 -12.993 8.788 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.367 -13.995 7.859 1.00 0.00 C ATOM 1753 C ALA A 120 -1.349 -13.367 6.899 1.00 0.00 C ATOM 1754 O ALA A 120 -0.343 -13.994 6.546 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.498 -14.644 7.072 1.00 0.00 C ATOM 0 H ALA A 120 -3.886 -12.760 8.618 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.855 -14.758 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.086 -15.385 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.188 -15.131 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.031 -13.881 6.504 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.626 -12.114 6.494 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.756 -11.360 5.583 1.00 0.00 C ATOM 1763 C ALA A 121 0.588 -11.019 6.233 1.00 0.00 C ATOM 1764 O ALA A 121 1.629 -11.064 5.572 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.458 -10.090 5.118 1.00 0.00 C ATOM 0 H ALA A 121 -2.456 -11.601 6.790 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.551 -11.993 4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.803 -9.539 4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.378 -10.353 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.695 -9.468 5.981 1.00 0.00 H new ATOM 1771 N ILE A 122 0.554 -10.670 7.534 1.00 0.00 N ATOM 1772 CA ILE A 122 1.774 -10.335 8.291 1.00 0.00 C ATOM 1773 C ILE A 122 2.642 -11.579 8.547 1.00 0.00 C ATOM 1774 O ILE A 122 3.869 -11.484 8.579 1.00 0.00 O ATOM 1775 CB ILE A 122 1.453 -9.592 9.632 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.753 -8.251 9.335 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.731 -9.341 10.453 1.00 0.00 C ATOM 1778 CD1 ILE A 122 -0.131 -7.740 10.458 1.00 0.00 C ATOM 0 H ILE A 122 -0.305 -10.613 8.081 1.00 0.00 H new ATOM 0 HA ILE A 122 2.347 -9.648 7.668 1.00 0.00 H new ATOM 0 HB ILE A 122 0.791 -10.228 10.219 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.512 -7.500 9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.148 -8.363 8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.474 -8.824 11.377 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.204 -10.294 10.690 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.421 -8.727 9.874 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.583 -6.793 10.163 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.916 -8.468 10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.470 -7.592 11.355 1.00 0.00 H new ATOM 1790 N ASP A 123 1.993 -12.732 8.727 1.00 0.00 N ATOM 1791 CA ASP A 123 2.692 -13.997 8.982 1.00 0.00 C ATOM 1792 C ASP A 123 3.432 -14.532 7.743 1.00 0.00 C ATOM 1793 O ASP A 123 4.486 -15.161 7.877 1.00 0.00 O ATOM 1794 CB ASP A 123 1.697 -15.048 9.485 1.00 0.00 C ATOM 1795 CG ASP A 123 2.323 -16.025 10.463 1.00 0.00 C ATOM 1796 OD1 ASP A 123 2.293 -15.748 11.681 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.842 -17.067 10.011 1.00 0.00 O ATOM 0 H ASP A 123 0.977 -12.817 8.701 1.00 0.00 H new ATOM 0 HA ASP A 123 3.446 -13.796 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.857 -14.547 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.295 -15.599 8.634 1.00 0.00 H new ATOM 1802 N ASN A 124 2.879 -14.278 6.547 1.00 0.00 N ATOM 1803 CA ASN A 124 3.474 -14.779 5.300 1.00 0.00 C ATOM 1804 C ASN A 124 4.219 -13.718 4.473 1.00 0.00 C ATOM 1805 O ASN A 124 5.239 -14.040 3.857 1.00 0.00 O ATOM 1806 CB ASN A 124 2.392 -15.425 4.432 1.00 0.00 C ATOM 1807 CG ASN A 124 1.930 -16.766 4.974 1.00 0.00 C ATOM 1808 OD1 ASN A 124 2.729 -17.685 5.157 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.633 -16.882 5.235 1.00 0.00 N ATOM 0 H ASN A 124 2.027 -13.733 6.418 1.00 0.00 H new ATOM 0 HA ASN A 124 4.225 -15.507 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.538 -14.752 4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.775 -15.559 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.263 -17.759 5.602 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.007 -16.094 5.068 1.00 0.00 H new ATOM 1816 N MET A 125 3.729 -12.469 4.454 1.00 0.00 N ATOM 1817 CA MET A 125 4.351 -11.418 3.633 1.00 0.00 C ATOM 1818 C MET A 125 5.207 -10.422 4.428 1.00 0.00 C ATOM 1819 O MET A 125 5.574 -9.365 3.898 1.00 0.00 O ATOM 1820 CB MET A 125 3.278 -10.672 2.825 1.00 0.00 C ATOM 1821 CG MET A 125 2.676 -11.504 1.700 1.00 0.00 C ATOM 1822 SD MET A 125 1.645 -10.536 0.579 1.00 0.00 S ATOM 1823 CE MET A 125 2.879 -9.724 -0.438 1.00 0.00 C ATOM 0 H MET A 125 2.916 -12.164 4.989 1.00 0.00 H new ATOM 0 HA MET A 125 5.039 -11.931 2.961 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.481 -10.356 3.499 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.716 -9.767 2.403 1.00 0.00 H new ATOM 0 HG2 MET A 125 3.480 -11.972 1.132 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.079 -12.308 2.130 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.520 -9.661 -1.465 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.062 -8.720 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 125 3.806 -10.297 -0.412 1.00 0.00 H new ATOM 1833 N ASN A 126 5.555 -10.759 5.682 1.00 0.00 N ATOM 1834 CA ASN A 126 6.387 -9.877 6.530 1.00 0.00 C ATOM 1835 C ASN A 126 7.735 -9.559 5.852 1.00 0.00 C ATOM 1836 O ASN A 126 8.253 -8.446 5.972 1.00 0.00 O ATOM 1837 CB ASN A 126 6.630 -10.534 7.896 1.00 0.00 C ATOM 1838 CG ASN A 126 6.979 -9.531 8.987 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.892 -8.719 8.835 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.249 -9.587 10.095 1.00 0.00 N ATOM 0 H ASN A 126 5.276 -11.631 6.132 1.00 0.00 H new ATOM 0 HA ASN A 126 5.848 -8.940 6.671 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.738 -11.087 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.439 -11.259 7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.436 -8.941 10.862 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.502 -10.276 10.179 1.00 0.00 H new ATOM 1847 N GLU A 127 8.282 -10.561 5.149 1.00 0.00 N ATOM 1848 CA GLU A 127 9.550 -10.432 4.419 1.00 0.00 C ATOM 1849 C GLU A 127 9.475 -11.219 3.108 1.00 0.00 C ATOM 1850 O GLU A 127 10.058 -12.302 2.964 1.00 0.00 O ATOM 1851 CB GLU A 127 10.734 -10.905 5.281 1.00 0.00 C ATOM 1852 CG GLU A 127 11.079 -9.946 6.405 1.00 0.00 C ATOM 1853 CD GLU A 127 12.169 -10.477 7.316 1.00 0.00 C ATOM 1854 OE1 GLU A 127 11.874 -11.374 8.134 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.317 -9.997 7.211 1.00 0.00 O ATOM 0 H GLU A 127 7.857 -11.485 5.071 1.00 0.00 H new ATOM 0 HA GLU A 127 9.715 -9.380 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.499 -11.881 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.609 -11.037 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.399 -8.995 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.184 -9.747 6.994 1.00 0.00 H new ATOM 1862 N SER A 128 8.731 -10.652 2.158 1.00 0.00 N ATOM 1863 CA SER A 128 8.532 -11.265 0.841 1.00 0.00 C ATOM 1864 C SER A 128 8.949 -10.315 -0.284 1.00 0.00 C ATOM 1865 O SER A 128 9.071 -9.108 -0.069 1.00 0.00 O ATOM 1866 CB SER A 128 7.065 -11.684 0.675 1.00 0.00 C ATOM 1867 OG SER A 128 6.191 -10.572 0.791 1.00 0.00 O ATOM 0 H SER A 128 8.251 -9.760 2.277 1.00 0.00 H new ATOM 0 HA SER A 128 9.165 -12.150 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.928 -12.156 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.810 -12.429 1.429 1.00 0.00 H new ATOM 0 HG SER A 128 6.098 -10.326 1.735 1.00 0.00 H new ATOM 1873 N GLU A 129 9.182 -10.878 -1.478 1.00 0.00 N ATOM 1874 CA GLU A 129 9.581 -10.093 -2.641 1.00 0.00 C ATOM 1875 C GLU A 129 8.357 -9.713 -3.486 1.00 0.00 C ATOM 1876 O GLU A 129 7.622 -10.582 -3.966 1.00 0.00 O ATOM 1877 CB GLU A 129 10.588 -10.891 -3.479 1.00 0.00 C ATOM 1878 CG GLU A 129 11.481 -10.029 -4.358 1.00 0.00 C ATOM 1879 CD GLU A 129 12.368 -10.845 -5.283 1.00 0.00 C ATOM 1880 OE1 GLU A 129 11.824 -11.573 -6.142 1.00 0.00 O ATOM 1881 OE2 GLU A 129 13.606 -10.755 -5.148 1.00 0.00 O ATOM 0 H GLU A 129 9.099 -11.879 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 129 10.052 -9.171 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.214 -11.481 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.044 -11.594 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.859 -9.362 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.107 -9.400 -3.725 1.00 0.00 H new ATOM 1888 N LEU A 130 8.157 -8.403 -3.644 1.00 0.00 N ATOM 1889 CA LEU A 130 7.048 -7.860 -4.426 1.00 0.00 C ATOM 1890 C LEU A 130 7.578 -6.852 -5.446 1.00 0.00 C ATOM 1891 O LEU A 130 8.324 -5.936 -5.089 1.00 0.00 O ATOM 1892 CB LEU A 130 6.014 -7.203 -3.494 1.00 0.00 C ATOM 1893 CG LEU A 130 4.654 -6.860 -4.126 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.714 -8.058 -4.084 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.027 -5.668 -3.420 1.00 0.00 C ATOM 0 H LEU A 130 8.760 -7.690 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 130 6.556 -8.671 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.841 -7.870 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.447 -6.286 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 130 4.822 -6.599 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.760 -7.788 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.156 -8.887 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.552 -8.357 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.065 -5.438 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.879 -5.906 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.687 -4.805 -3.508 1.00 0.00 H new ATOM 1907 N PHE A 131 7.185 -7.031 -6.724 1.00 0.00 N ATOM 1908 CA PHE A 131 7.608 -6.155 -7.848 1.00 0.00 C ATOM 1909 C PHE A 131 9.138 -6.185 -8.074 1.00 0.00 C ATOM 1910 O PHE A 131 9.692 -5.325 -8.773 1.00 0.00 O ATOM 1911 CB PHE A 131 7.122 -4.702 -7.637 1.00 0.00 C ATOM 1912 CG PHE A 131 6.666 -4.020 -8.900 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.584 -3.427 -9.756 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.320 -3.970 -9.232 1.00 0.00 C ATOM 1915 CE1 PHE A 131 7.168 -2.799 -10.915 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.899 -3.343 -10.390 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.824 -2.758 -11.232 1.00 0.00 C ATOM 0 H PHE A 131 6.564 -7.787 -7.011 1.00 0.00 H new ATOM 0 HA PHE A 131 7.138 -6.553 -8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.300 -4.705 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.930 -4.120 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.636 -3.457 -9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.592 -4.427 -8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.893 -2.341 -11.572 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.848 -3.311 -10.636 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.497 -2.269 -12.138 1.00 0.00 H new ATOM 1927 N GLY A 132 9.805 -7.195 -7.492 1.00 0.00 N ATOM 1928 CA GLY A 132 11.251 -7.335 -7.628 1.00 0.00 C ATOM 1929 C GLY A 132 12.030 -6.760 -6.451 1.00 0.00 C ATOM 1930 O GLY A 132 13.264 -6.724 -6.484 1.00 0.00 O ATOM 0 H GLY A 132 9.362 -7.920 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.497 -8.391 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.572 -6.838 -8.544 1.00 0.00 H new ATOM 1934 N ARG A 133 11.309 -6.311 -5.416 1.00 0.00 N ATOM 1935 CA ARG A 133 11.928 -5.732 -4.218 1.00 0.00 C ATOM 1936 C ARG A 133 11.419 -6.420 -2.953 1.00 0.00 C ATOM 1937 O ARG A 133 10.315 -6.966 -2.943 1.00 0.00 O ATOM 1938 CB ARG A 133 11.627 -4.230 -4.130 1.00 0.00 C ATOM 1939 CG ARG A 133 12.281 -3.390 -5.218 1.00 0.00 C ATOM 1940 CD ARG A 133 11.978 -1.910 -5.033 1.00 0.00 C ATOM 1941 NE ARG A 133 12.780 -1.308 -3.959 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.661 -0.311 -4.125 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.879 0.225 -5.325 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.327 0.155 -3.078 1.00 0.00 N ATOM 0 H ARG A 133 10.290 -6.338 -5.385 1.00 0.00 H new ATOM 0 HA ARG A 133 13.005 -5.884 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.548 -4.085 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.956 -3.863 -3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.360 -3.547 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.925 -3.717 -6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.171 -1.382 -5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.919 -1.783 -4.808 1.00 0.00 H new ATOM 0 HE ARG A 133 12.657 -1.676 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.371 -0.122 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.554 0.983 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.168 -0.245 -2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.999 0.913 -3.197 1.00 0.00 H new ATOM 1958 N THR A 134 12.231 -6.382 -1.885 1.00 0.00 N ATOM 1959 CA THR A 134 11.859 -6.984 -0.597 1.00 0.00 C ATOM 1960 C THR A 134 10.943 -6.027 0.173 1.00 0.00 C ATOM 1961 O THR A 134 11.237 -4.832 0.276 1.00 0.00 O ATOM 1962 CB THR A 134 13.106 -7.319 0.264 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.204 -7.693 -0.578 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.817 -8.460 1.238 1.00 0.00 C ATOM 0 H THR A 134 13.150 -5.940 -1.889 1.00 0.00 H new ATOM 0 HA THR A 134 11.336 -7.918 -0.803 1.00 0.00 H new ATOM 0 HB THR A 134 13.362 -6.425 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.985 -7.900 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.710 -8.671 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.003 -8.173 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.532 -9.352 0.680 1.00 0.00 H new ATOM 1972 N ILE A 135 9.843 -6.562 0.709 1.00 0.00 N ATOM 1973 CA ILE A 135 8.872 -5.747 1.446 1.00 0.00 C ATOM 1974 C ILE A 135 8.714 -6.205 2.898 1.00 0.00 C ATOM 1975 O ILE A 135 8.969 -7.369 3.225 1.00 0.00 O ATOM 1976 CB ILE A 135 7.473 -5.711 0.750 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.902 -7.130 0.516 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.556 -4.944 -0.569 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.420 -7.255 0.812 1.00 0.00 C ATOM 0 H ILE A 135 9.603 -7.551 0.647 1.00 0.00 H new ATOM 0 HA ILE A 135 9.280 -4.736 1.445 1.00 0.00 H new ATOM 0 HB ILE A 135 6.788 -5.194 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.080 -7.416 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.448 -7.838 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.574 -4.927 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.883 -3.922 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.270 -5.435 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.096 -8.279 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.235 -7.002 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.862 -6.574 0.169 1.00 0.00 H new ATOM 1991 N ARG A 136 8.292 -5.267 3.752 1.00 0.00 N ATOM 1992 CA ARG A 136 8.073 -5.542 5.174 1.00 0.00 C ATOM 1993 C ARG A 136 6.639 -5.193 5.535 1.00 0.00 C ATOM 1994 O ARG A 136 6.150 -4.124 5.153 1.00 0.00 O ATOM 1995 CB ARG A 136 9.008 -4.702 6.063 1.00 0.00 C ATOM 1996 CG ARG A 136 10.482 -4.795 5.710 1.00 0.00 C ATOM 1997 CD ARG A 136 11.353 -4.192 6.800 1.00 0.00 C ATOM 1998 NE ARG A 136 12.764 -4.129 6.403 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.428 -2.999 6.113 1.00 0.00 C ATOM 2000 NH1 ARG A 136 12.826 -1.811 6.168 1.00 0.00 N ATOM 2001 NH2 ARG A 136 14.706 -3.062 5.765 1.00 0.00 N ATOM 0 H ARG A 136 8.094 -4.304 3.480 1.00 0.00 H new ATOM 0 HA ARG A 136 8.278 -6.599 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.701 -3.658 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.877 -5.014 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.756 -5.839 5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.665 -4.278 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.997 -3.189 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.258 -4.785 7.710 1.00 0.00 H new ATOM 0 HE ARG A 136 13.278 -5.008 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 136 11.843 -1.749 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 136 13.348 -0.964 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.178 -3.965 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.217 -2.207 5.543 1.00 0.00 H new ATOM 2015 N VAL A 137 5.960 -6.084 6.261 1.00 0.00 N ATOM 2016 CA VAL A 137 4.585 -5.818 6.674 1.00 0.00 C ATOM 2017 C VAL A 137 4.418 -6.065 8.177 1.00 0.00 C ATOM 2018 O VAL A 137 4.922 -7.056 8.715 1.00 0.00 O ATOM 2019 CB VAL A 137 3.500 -6.596 5.835 1.00 0.00 C ATOM 2020 CG1 VAL A 137 3.955 -6.884 4.408 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.055 -7.885 6.498 1.00 0.00 C ATOM 0 H VAL A 137 6.334 -6.981 6.570 1.00 0.00 H new ATOM 0 HA VAL A 137 4.403 -4.764 6.465 1.00 0.00 H new ATOM 0 HB VAL A 137 2.644 -5.922 5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.169 -7.421 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.162 -5.945 3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.859 -7.493 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.308 -8.376 5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.913 -8.545 6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.623 -7.662 7.474 1.00 0.00 H new ATOM 2031 N ASN A 138 3.717 -5.138 8.838 1.00 0.00 N ATOM 2032 CA ASN A 138 3.463 -5.210 10.283 1.00 0.00 C ATOM 2033 C ASN A 138 2.133 -4.546 10.632 1.00 0.00 C ATOM 2034 O ASN A 138 1.505 -3.921 9.777 1.00 0.00 O ATOM 2035 CB ASN A 138 4.602 -4.544 11.070 1.00 0.00 C ATOM 2036 CG ASN A 138 5.672 -5.532 11.484 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.405 -6.485 12.216 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.893 -5.310 11.017 1.00 0.00 N ATOM 0 H ASN A 138 3.310 -4.318 8.389 1.00 0.00 H new ATOM 0 HA ASN A 138 3.413 -6.263 10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.051 -3.760 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.193 -4.062 11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.655 -5.942 11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.070 -4.507 10.413 1.00 0.00 H new ATOM 2045 N LEU A 139 1.701 -4.690 11.893 1.00 0.00 N ATOM 2046 CA LEU A 139 0.445 -4.088 12.362 1.00 0.00 C ATOM 2047 C LEU A 139 0.583 -2.569 12.493 1.00 0.00 C ATOM 2048 O LEU A 139 1.523 -2.075 13.124 1.00 0.00 O ATOM 2049 CB LEU A 139 0.034 -4.689 13.711 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.277 -6.190 13.702 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.001 -6.793 15.065 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.726 -6.444 13.299 1.00 0.00 C ATOM 0 H LEU A 139 2.203 -5.218 12.607 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.327 -4.306 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.834 -4.507 14.428 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.846 -4.156 14.073 1.00 0.00 H new ATOM 0 HG LEU A 139 0.371 -6.667 12.966 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.224 -7.859 15.044 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.051 -6.649 15.319 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.624 -6.305 15.813 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.921 -7.516 13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.392 -5.953 14.008 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.901 -6.044 12.300 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.364 -1.842 11.888 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.363 -0.377 11.913 1.00 0.00 C ATOM 2066 C ALA A 140 -1.240 0.159 13.041 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.831 0.171 10.571 1.00 0.00 C ATOM 0 H ALA A 140 -1.145 -2.249 11.373 1.00 0.00 H new ATOM 0 HA ALA A 140 0.658 -0.043 12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.826 1.261 10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.160 -0.173 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.842 -0.182 10.366 1.00 0.00 H new