USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-3.4!) USER MOD Single : A 91 THR OG1 : rot -130:sc= -2.27! USER MOD Single : A 94 GLN : amide:sc=-0.000897 X(o=-0.0009,f=-0.0046) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-7.7!) USER MOD Single : A 124 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.17) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.7) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.306 -3.754 12.499 1.00 0.00 N ATOM 883 CA ARG A 64 -6.658 -4.334 11.197 1.00 0.00 C ATOM 884 C ARG A 64 -5.888 -3.646 10.055 1.00 0.00 C ATOM 885 O ARG A 64 -6.069 -3.986 8.880 1.00 0.00 O ATOM 886 CB ARG A 64 -8.171 -4.224 10.959 1.00 0.00 C ATOM 887 CG ARG A 64 -9.015 -4.987 11.972 1.00 0.00 C ATOM 888 CD ARG A 64 -10.488 -4.935 11.619 1.00 0.00 C ATOM 889 NE ARG A 64 -11.325 -5.542 12.660 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.661 -5.642 12.605 1.00 0.00 C ATOM 891 NH1 ARG A 64 -13.344 -5.179 11.560 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.316 -6.214 13.606 1.00 0.00 N ATOM 0 HA ARG A 64 -6.375 -5.387 11.208 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.457 -3.172 10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.399 -4.594 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.686 -6.025 12.013 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.863 -4.565 12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.789 -3.898 11.471 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.653 -5.453 10.674 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.856 -5.915 13.486 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.851 -4.739 10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.360 -5.264 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.804 -6.574 14.411 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.332 -6.294 13.571 1.00 0.00 H new ATOM 906 N VAL A 65 -5.020 -2.688 10.417 1.00 0.00 N ATOM 907 CA VAL A 65 -4.212 -1.938 9.444 1.00 0.00 C ATOM 908 C VAL A 65 -2.766 -2.444 9.485 1.00 0.00 C ATOM 909 O VAL A 65 -2.213 -2.653 10.568 1.00 0.00 O ATOM 910 CB VAL A 65 -4.244 -0.399 9.720 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.626 0.390 8.564 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.667 0.095 9.979 1.00 0.00 C ATOM 0 H VAL A 65 -4.860 -2.413 11.386 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.639 -2.103 8.455 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.648 -0.228 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.665 1.456 8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.588 0.085 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.184 0.192 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.651 1.169 10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.288 -0.112 9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.078 -0.419 10.848 1.00 0.00 H new ATOM 922 N LEU A 66 -2.169 -2.641 8.304 1.00 0.00 N ATOM 923 CA LEU A 66 -0.791 -3.143 8.207 1.00 0.00 C ATOM 924 C LEU A 66 0.097 -2.188 7.414 1.00 0.00 C ATOM 925 O LEU A 66 -0.388 -1.415 6.584 1.00 0.00 O ATOM 926 CB LEU A 66 -0.736 -4.553 7.563 1.00 0.00 C ATOM 927 CG LEU A 66 -2.034 -5.384 7.561 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.882 -6.579 6.632 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.402 -5.851 8.965 1.00 0.00 C ATOM 0 H LEU A 66 -2.615 -2.462 7.405 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.415 -3.211 9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.408 -4.439 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.032 -5.129 8.079 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.842 -4.747 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.803 -7.162 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.678 -6.229 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.056 -7.203 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.322 -6.434 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.598 -6.469 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.549 -4.985 9.610 1.00 0.00 H new ATOM 941 N TYR A 67 1.401 -2.261 7.690 1.00 0.00 N ATOM 942 CA TYR A 67 2.409 -1.453 7.009 1.00 0.00 C ATOM 943 C TYR A 67 3.020 -2.267 5.874 1.00 0.00 C ATOM 944 O TYR A 67 3.331 -3.440 6.056 1.00 0.00 O ATOM 945 CB TYR A 67 3.500 -1.008 8.014 1.00 0.00 C ATOM 946 CG TYR A 67 4.749 -0.389 7.392 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.834 0.976 7.155 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.838 -1.186 7.035 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.967 1.532 6.584 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.971 -0.639 6.462 1.00 0.00 C ATOM 951 CZ TYR A 67 7.030 0.720 6.240 1.00 0.00 C ATOM 952 OH TYR A 67 8.154 1.272 5.670 1.00 0.00 O ATOM 0 H TYR A 67 1.787 -2.887 8.397 1.00 0.00 H new ATOM 0 HA TYR A 67 1.945 -0.558 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.062 -0.286 8.704 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.800 -1.873 8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.004 1.614 7.420 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.795 -2.251 7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.019 2.596 6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.803 -1.272 6.190 1.00 0.00 H new ATOM 0 HH TYR A 67 8.809 0.566 5.489 1.00 0.00 H new ATOM 962 N VAL A 68 3.169 -1.644 4.709 1.00 0.00 N ATOM 963 CA VAL A 68 3.777 -2.310 3.558 1.00 0.00 C ATOM 964 C VAL A 68 4.794 -1.384 2.896 1.00 0.00 C ATOM 965 O VAL A 68 4.432 -0.327 2.371 1.00 0.00 O ATOM 966 CB VAL A 68 2.729 -2.816 2.518 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.037 -4.065 3.041 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.688 -1.755 2.158 1.00 0.00 C ATOM 0 H VAL A 68 2.879 -0.682 4.535 1.00 0.00 H new ATOM 0 HA VAL A 68 4.284 -3.198 3.935 1.00 0.00 H new ATOM 0 HB VAL A 68 3.276 -3.048 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.308 -4.411 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.777 -4.846 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.529 -3.835 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.987 -2.165 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.147 -1.457 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.187 -0.886 1.730 1.00 0.00 H new ATOM 978 N GLY A 69 6.063 -1.797 2.932 1.00 0.00 N ATOM 979 CA GLY A 69 7.129 -0.998 2.356 1.00 0.00 C ATOM 980 C GLY A 69 8.057 -1.801 1.477 1.00 0.00 C ATOM 981 O GLY A 69 8.196 -3.013 1.653 1.00 0.00 O ATOM 0 H GLY A 69 6.369 -2.675 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.693 -0.188 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.705 -0.538 3.159 1.00 0.00 H new ATOM 985 N GLY A 70 8.692 -1.109 0.532 1.00 0.00 N ATOM 986 CA GLY A 70 9.621 -1.748 -0.388 1.00 0.00 C ATOM 987 C GLY A 70 9.021 -1.947 -1.766 1.00 0.00 C ATOM 988 O GLY A 70 9.422 -2.859 -2.496 1.00 0.00 O ATOM 0 H GLY A 70 8.578 -0.106 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.522 -1.141 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.924 -2.714 0.017 1.00 0.00 H new ATOM 992 N LEU A 71 8.053 -1.088 -2.115 1.00 0.00 N ATOM 993 CA LEU A 71 7.377 -1.153 -3.412 1.00 0.00 C ATOM 994 C LEU A 71 8.066 -0.243 -4.424 1.00 0.00 C ATOM 995 O LEU A 71 8.792 0.685 -4.053 1.00 0.00 O ATOM 996 CB LEU A 71 5.890 -0.753 -3.313 1.00 0.00 C ATOM 997 CG LEU A 71 5.120 -1.229 -2.075 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.261 -0.228 -0.948 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.655 -1.422 -2.415 1.00 0.00 C ATOM 0 H LEU A 71 7.721 -0.336 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 71 7.435 -2.190 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.829 0.335 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.378 -1.133 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 71 5.539 -2.182 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.709 -0.581 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.314 -0.117 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.862 0.735 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.117 -1.760 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.233 -0.477 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.560 -2.168 -3.204 1.00 0.00 H new ATOM 1011 N ALA A 72 7.819 -0.525 -5.702 1.00 0.00 N ATOM 1012 CA ALA A 72 8.392 0.244 -6.808 1.00 0.00 C ATOM 1013 C ALA A 72 7.562 1.495 -7.094 1.00 0.00 C ATOM 1014 O ALA A 72 6.364 1.530 -6.804 1.00 0.00 O ATOM 1015 CB ALA A 72 8.490 -0.628 -8.055 1.00 0.00 C ATOM 0 H ALA A 72 7.217 -1.292 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 72 9.393 0.565 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.917 -0.047 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.127 -1.488 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.495 -0.973 -8.337 1.00 0.00 H new ATOM 1021 N GLU A 73 8.210 2.524 -7.662 1.00 0.00 N ATOM 1022 CA GLU A 73 7.544 3.796 -7.999 1.00 0.00 C ATOM 1023 C GLU A 73 6.391 3.581 -8.998 1.00 0.00 C ATOM 1024 O GLU A 73 5.400 4.318 -8.981 1.00 0.00 O ATOM 1025 CB GLU A 73 8.576 4.785 -8.573 1.00 0.00 C ATOM 1026 CG GLU A 73 8.131 6.253 -8.567 1.00 0.00 C ATOM 1027 CD GLU A 73 8.196 6.914 -7.192 1.00 0.00 C ATOM 1028 OE1 GLU A 73 9.053 6.522 -6.368 1.00 0.00 O ATOM 1029 OE2 GLU A 73 7.386 7.831 -6.942 1.00 0.00 O ATOM 0 H GLU A 73 9.202 2.501 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 73 7.115 4.210 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.500 4.697 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.807 4.494 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.758 6.815 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.109 6.314 -8.941 1.00 0.00 H new ATOM 1036 N GLU A 74 6.544 2.564 -9.859 1.00 0.00 N ATOM 1037 CA GLU A 74 5.542 2.217 -10.880 1.00 0.00 C ATOM 1038 C GLU A 74 4.280 1.571 -10.285 1.00 0.00 C ATOM 1039 O GLU A 74 3.235 1.545 -10.942 1.00 0.00 O ATOM 1040 CB GLU A 74 6.151 1.276 -11.927 1.00 0.00 C ATOM 1041 CG GLU A 74 7.208 1.929 -12.808 1.00 0.00 C ATOM 1042 CD GLU A 74 7.725 0.997 -13.886 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.516 0.088 -13.556 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.340 1.177 -15.060 1.00 0.00 O ATOM 0 H GLU A 74 7.365 1.959 -9.868 1.00 0.00 H new ATOM 0 HA GLU A 74 5.240 3.154 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.595 0.421 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.353 0.889 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.787 2.820 -13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.041 2.258 -12.187 1.00 0.00 H new ATOM 1051 N VAL A 75 4.378 1.053 -9.044 1.00 0.00 N ATOM 1052 CA VAL A 75 3.237 0.387 -8.380 1.00 0.00 C ATOM 1053 C VAL A 75 2.124 1.391 -8.030 1.00 0.00 C ATOM 1054 O VAL A 75 2.401 2.510 -7.589 1.00 0.00 O ATOM 1055 CB VAL A 75 3.657 -0.443 -7.107 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.987 -1.159 -7.317 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.705 0.403 -5.833 1.00 0.00 C ATOM 0 H VAL A 75 5.230 1.082 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 75 2.847 -0.327 -9.106 1.00 0.00 H new ATOM 0 HB VAL A 75 2.876 -1.191 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.244 -1.720 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.902 -1.844 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.767 -0.425 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.000 -0.223 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.429 1.208 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.720 0.828 -5.641 1.00 0.00 H new ATOM 1067 N ASP A 76 0.878 0.969 -8.244 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.293 1.800 -7.960 1.00 0.00 C ATOM 1069 C ASP A 76 -1.163 1.143 -6.882 1.00 0.00 C ATOM 1070 O ASP A 76 -0.839 0.051 -6.400 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.107 2.032 -9.248 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.359 2.846 -10.297 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.343 3.812 -9.922 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.477 2.515 -11.496 1.00 0.00 O ATOM 0 H ASP A 76 0.652 0.047 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 76 0.045 2.767 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.381 1.067 -9.675 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.035 2.544 -8.995 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.269 1.810 -6.505 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.198 1.290 -5.483 1.00 0.00 C ATOM 1081 C ASP A 77 -3.829 -0.043 -5.920 1.00 0.00 C ATOM 1082 O ASP A 77 -4.181 -0.882 -5.087 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.290 2.336 -5.159 1.00 0.00 C ATOM 1084 CG ASP A 77 -5.133 2.756 -6.362 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.550 3.061 -7.425 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -6.375 2.778 -6.234 1.00 0.00 O ATOM 0 H ASP A 77 -2.542 2.713 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.623 1.099 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.949 1.930 -4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.815 3.221 -4.736 1.00 0.00 H new ATOM 1091 N LYS A 78 -3.959 -0.207 -7.245 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.531 -1.413 -7.865 1.00 0.00 C ATOM 1093 C LYS A 78 -3.596 -2.608 -7.679 1.00 0.00 C ATOM 1094 O LYS A 78 -4.036 -3.728 -7.409 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.757 -1.172 -9.362 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.737 -0.052 -9.668 1.00 0.00 C ATOM 1097 CD LYS A 78 -5.881 0.153 -11.162 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.732 1.373 -11.471 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.643 1.763 -12.906 1.00 0.00 N ATOM 0 H LYS A 78 -3.668 0.498 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.483 -1.631 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.800 -0.942 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.121 -2.093 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.709 -0.287 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.395 0.872 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.895 0.271 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.333 -0.732 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.771 1.165 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.411 2.207 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.238 2.599 -13.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.656 1.986 -13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.974 0.976 -13.501 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.293 -2.328 -7.833 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.224 -3.310 -7.693 1.00 0.00 C ATOM 1115 C VAL A 79 -1.141 -3.836 -6.249 1.00 0.00 C ATOM 1116 O VAL A 79 -1.048 -5.048 -6.028 1.00 0.00 O ATOM 1117 CB VAL A 79 0.138 -2.673 -8.101 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.244 -3.700 -8.099 1.00 0.00 C ATOM 1119 CG2 VAL A 79 0.066 -2.001 -9.468 1.00 0.00 C ATOM 0 H VAL A 79 -1.954 -1.394 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.445 -4.150 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 79 0.360 -1.909 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.182 -3.225 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.345 -4.124 -7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.005 -4.493 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.037 -1.570 -9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.204 -2.740 -10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.686 -1.212 -9.447 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.183 -2.908 -5.278 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.107 -3.251 -3.852 1.00 0.00 C ATOM 1131 C LEU A 80 -2.334 -4.058 -3.389 1.00 0.00 C ATOM 1132 O LEU A 80 -2.202 -4.997 -2.601 1.00 0.00 O ATOM 1133 CB LEU A 80 -0.977 -1.973 -3.010 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.214 -2.127 -1.684 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.422 -0.807 -1.279 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.130 -2.633 -0.575 1.00 0.00 C ATOM 0 H LEU A 80 -1.270 -1.908 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.225 -3.876 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.477 -1.213 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.978 -1.600 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 80 0.573 -2.865 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.958 -0.935 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.119 -0.486 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.354 -0.052 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.562 -2.732 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.946 -1.926 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.538 -3.604 -0.855 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.523 -3.680 -3.893 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.790 -4.347 -3.544 1.00 0.00 C ATOM 1150 C HIS A 81 -4.859 -5.778 -4.111 1.00 0.00 C ATOM 1151 O HIS A 81 -5.193 -6.726 -3.391 1.00 0.00 O ATOM 1152 CB HIS A 81 -5.973 -3.513 -4.062 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.248 -3.700 -3.291 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.954 -4.885 -3.271 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -7.950 -2.835 -2.520 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.034 -4.740 -2.523 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.053 -3.506 -2.056 1.00 0.00 N ATOM 0 H HIS A 81 -3.632 -2.908 -4.550 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.842 -4.423 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.698 -2.459 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.153 -3.769 -5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.690 -1.808 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.774 -5.501 -2.327 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.772 -3.114 -1.448 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.525 -5.915 -5.403 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.544 -7.205 -6.107 1.00 0.00 C ATOM 1168 C ALA A 82 -3.430 -8.158 -5.646 1.00 0.00 C ATOM 1169 O ALA A 82 -3.531 -9.372 -5.844 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.445 -6.978 -7.608 1.00 0.00 C ATOM 0 H ALA A 82 -4.234 -5.133 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.491 -7.685 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.460 -7.939 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.289 -6.375 -7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.515 -6.458 -7.837 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.373 -7.599 -5.032 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.228 -8.385 -4.562 1.00 0.00 C ATOM 1178 C ALA A 83 -1.490 -8.964 -3.179 1.00 0.00 C ATOM 1179 O ALA A 83 -1.016 -10.053 -2.845 1.00 0.00 O ATOM 1180 CB ALA A 83 0.024 -7.520 -4.539 1.00 0.00 C ATOM 0 H ALA A 83 -2.292 -6.599 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.079 -9.215 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.869 -8.112 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.231 -7.152 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.130 -6.675 -3.868 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.255 -8.209 -2.392 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.602 -8.593 -1.031 1.00 0.00 C ATOM 1188 C PHE A 84 -4.031 -9.142 -0.929 1.00 0.00 C ATOM 1189 O PHE A 84 -4.486 -9.499 0.164 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.420 -7.386 -0.113 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.980 -7.047 0.157 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.310 -7.618 1.227 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.296 -6.166 -0.664 1.00 0.00 C ATOM 1194 CE1 PHE A 84 1.014 -7.315 1.474 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.029 -5.860 -0.423 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.685 -6.435 0.647 1.00 0.00 C ATOM 0 H PHE A 84 -2.650 -7.315 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.937 -9.399 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.910 -6.522 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.922 -7.581 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.830 -8.308 1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.805 -5.713 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.524 -7.765 2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.551 -5.172 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.721 -6.197 0.837 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.731 -9.218 -2.076 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.108 -9.731 -2.128 1.00 0.00 C ATOM 1208 C ILE A 85 -6.207 -11.275 -1.890 1.00 0.00 C ATOM 1209 O ILE A 85 -7.219 -11.718 -1.338 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.838 -9.289 -3.451 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.363 -9.471 -3.339 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.315 -10.016 -4.692 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.080 -8.314 -2.670 1.00 0.00 C ATOM 0 H ILE A 85 -4.361 -8.929 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.634 -9.273 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.614 -8.230 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.775 -9.610 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.569 -10.384 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.857 -9.669 -5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.252 -9.808 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.463 -11.089 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.149 -8.522 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.698 -8.186 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.908 -7.401 -3.240 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.191 -12.127 -2.286 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.264 -13.595 -2.064 1.00 0.00 C ATOM 1227 C PRO A 86 -5.399 -13.994 -0.587 1.00 0.00 C ATOM 1228 O PRO A 86 -5.899 -15.081 -0.281 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.936 -14.121 -2.622 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.482 -13.076 -3.576 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.925 -11.772 -2.983 1.00 0.00 C ATOM 0 HA PRO A 86 -6.151 -14.008 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.206 -14.274 -1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.070 -15.081 -3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.400 -13.103 -3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.921 -13.228 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.183 -11.372 -2.292 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.087 -11.015 -3.750 1.00 0.00 H new ATOM 1239 N PHE A 87 -4.951 -13.109 0.321 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.010 -13.368 1.772 1.00 0.00 C ATOM 1241 C PHE A 87 -6.415 -13.126 2.340 1.00 0.00 C ATOM 1242 O PHE A 87 -6.819 -13.788 3.301 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.001 -12.491 2.533 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.585 -12.576 2.020 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.787 -13.674 2.311 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.055 -11.555 1.245 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.491 -13.751 1.838 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.758 -11.628 0.772 1.00 0.00 C ATOM 1249 CZ PHE A 87 0.023 -12.728 1.068 1.00 0.00 C ATOM 0 H PHE A 87 -4.543 -12.207 0.076 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.755 -14.419 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.330 -11.453 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.011 -12.778 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.184 -14.477 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.662 -10.694 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.119 -14.611 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.356 -10.825 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.036 -12.787 0.697 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.146 -12.178 1.739 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.492 -11.857 2.195 1.00 0.00 C ATOM 1261 C GLY A 88 -9.054 -10.606 1.550 1.00 0.00 C ATOM 1262 O GLY A 88 -8.546 -10.143 0.524 1.00 0.00 O ATOM 0 H GLY A 88 -6.825 -11.627 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.152 -12.697 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.482 -11.728 3.277 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.115 -10.064 2.163 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.787 -8.855 1.672 1.00 0.00 C ATOM 1268 C ASP A 89 -10.091 -7.580 2.149 1.00 0.00 C ATOM 1269 O ASP A 89 -9.743 -7.457 3.327 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.246 -8.840 2.132 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.098 -9.873 1.416 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.670 -9.540 0.357 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.194 -11.013 1.916 1.00 0.00 O ATOM 0 H ASP A 89 -10.530 -10.451 3.011 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.740 -8.878 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.286 -9.024 3.206 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.666 -7.848 1.962 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.899 -6.640 1.218 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.258 -5.355 1.515 1.00 0.00 C ATOM 1280 C ILE A 90 -10.257 -4.221 1.277 1.00 0.00 C ATOM 1281 O ILE A 90 -11.020 -4.253 0.307 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.974 -5.122 0.655 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.015 -6.317 0.771 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.249 -3.837 1.077 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.299 -6.651 -0.521 1.00 0.00 C ATOM 0 H ILE A 90 -10.181 -6.747 0.244 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.949 -5.371 2.560 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.291 -5.019 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.274 -6.104 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.576 -7.191 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.360 -3.702 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.915 -2.984 0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.957 -3.911 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.640 -7.504 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.031 -6.897 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.709 -5.792 -0.843 1.00 0.00 H new ATOM 1297 N THR A 91 -10.241 -3.224 2.169 1.00 0.00 N ATOM 1298 CA THR A 91 -11.143 -2.075 2.071 1.00 0.00 C ATOM 1299 C THR A 91 -10.562 -0.969 1.184 1.00 0.00 C ATOM 1300 O THR A 91 -11.156 -0.623 0.159 1.00 0.00 O ATOM 1301 CB THR A 91 -11.487 -1.495 3.463 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.313 -1.443 4.281 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.555 -2.331 4.153 1.00 0.00 C ATOM 0 H THR A 91 -9.610 -3.192 2.970 1.00 0.00 H new ATOM 0 HA THR A 91 -12.059 -2.445 1.611 1.00 0.00 H new ATOM 0 HB THR A 91 -11.874 -0.486 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.502 -1.853 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.778 -1.902 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.460 -2.340 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.193 -3.351 4.279 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.398 -0.417 1.581 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.738 0.658 0.820 1.00 0.00 C ATOM 1313 C ASP A 92 -7.219 0.658 1.028 1.00 0.00 C ATOM 1314 O ASP A 92 -6.711 0.098 2.007 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.303 2.034 1.222 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.674 2.299 0.632 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.742 2.854 -0.486 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.680 1.953 1.285 1.00 0.00 O ATOM 0 H ASP A 92 -8.897 -0.699 2.424 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.941 0.469 -0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.362 2.095 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.615 2.814 0.896 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.513 1.293 0.081 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.053 1.426 0.126 1.00 0.00 C ATOM 1325 C ILE A 93 -4.704 2.911 0.271 1.00 0.00 C ATOM 1326 O ILE A 93 -5.134 3.732 -0.546 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.365 0.840 -1.161 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.817 -0.616 -1.478 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.836 0.903 -1.067 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.822 -1.590 -0.301 1.00 0.00 C ATOM 0 H ILE A 93 -6.940 1.728 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.681 0.856 0.977 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.693 1.475 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.823 -0.579 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.163 -1.017 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.398 0.489 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.521 1.940 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.500 0.325 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.154 -2.571 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.815 -1.670 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.500 -1.225 0.470 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.929 3.246 1.308 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.537 4.635 1.559 1.00 0.00 C ATOM 1344 C GLN A 94 -2.026 4.821 1.477 1.00 0.00 C ATOM 1345 O GLN A 94 -1.265 4.103 2.133 1.00 0.00 O ATOM 1346 CB GLN A 94 -4.044 5.102 2.932 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.564 5.234 3.037 1.00 0.00 C ATOM 1348 CD GLN A 94 -6.120 6.446 2.303 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.734 7.585 2.573 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -7.032 6.204 1.369 1.00 0.00 N ATOM 0 H GLN A 94 -3.562 2.576 1.984 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.996 5.244 0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.700 4.399 3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.592 6.066 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.028 4.332 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.844 5.296 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.323 5.246 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.441 6.977 0.843 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.610 5.794 0.662 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.192 6.118 0.478 1.00 0.00 C ATOM 1361 C ILE A 95 0.030 7.626 0.710 1.00 0.00 C ATOM 1362 O ILE A 95 -0.581 8.439 0.011 1.00 0.00 O ATOM 1363 CB ILE A 95 0.334 5.733 -0.943 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.284 4.418 -1.437 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.859 5.615 -0.949 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.485 4.612 -2.330 1.00 0.00 C ATOM 0 H ILE A 95 -2.242 6.377 0.114 1.00 0.00 H new ATOM 0 HA ILE A 95 0.368 5.531 1.206 1.00 0.00 H new ATOM 0 HB ILE A 95 0.034 6.532 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.473 3.852 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.576 3.817 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.199 5.346 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.299 6.570 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.167 4.845 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.868 3.640 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.260 5.151 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.195 5.186 -3.210 1.00 0.00 H new ATOM 1378 N PRO A 96 0.900 8.035 1.690 1.00 0.00 N ATOM 1379 CA PRO A 96 1.164 9.465 1.954 1.00 0.00 C ATOM 1380 C PRO A 96 1.873 10.151 0.771 1.00 0.00 C ATOM 1381 O PRO A 96 3.099 10.069 0.620 1.00 0.00 O ATOM 1382 CB PRO A 96 2.041 9.457 3.219 1.00 0.00 C ATOM 1383 CG PRO A 96 2.631 8.086 3.296 1.00 0.00 C ATOM 1384 CD PRO A 96 1.665 7.156 2.612 1.00 0.00 C ATOM 0 HA PRO A 96 0.245 10.035 2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.821 10.216 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.449 9.678 4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.606 8.057 2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.784 7.789 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.188 6.369 2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.008 6.666 3.331 1.00 0.00 H new ATOM 1392 N LEU A 97 1.067 10.810 -0.068 1.00 0.00 N ATOM 1393 CA LEU A 97 1.563 11.500 -1.259 1.00 0.00 C ATOM 1394 C LEU A 97 1.525 13.017 -1.076 1.00 0.00 C ATOM 1395 O LEU A 97 0.538 13.563 -0.575 1.00 0.00 O ATOM 1396 CB LEU A 97 0.714 11.096 -2.473 1.00 0.00 C ATOM 1397 CG LEU A 97 1.356 11.318 -3.845 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.010 10.037 -4.339 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.317 11.810 -4.842 1.00 0.00 C ATOM 0 H LEU A 97 0.057 10.879 0.060 1.00 0.00 H new ATOM 0 HA LEU A 97 2.601 11.208 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.461 10.040 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.222 11.653 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 97 2.128 12.081 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.462 10.212 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.780 9.726 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.257 9.253 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.788 11.963 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.476 11.068 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.106 12.751 -4.492 1.00 0.00 H new ATOM 1411 N ASP A 98 2.612 13.686 -1.488 1.00 0.00 N ATOM 1412 CA ASP A 98 2.717 15.148 -1.399 1.00 0.00 C ATOM 1413 C ASP A 98 2.126 15.801 -2.646 1.00 0.00 C ATOM 1414 O ASP A 98 2.288 15.287 -3.752 1.00 0.00 O ATOM 1415 CB ASP A 98 4.179 15.591 -1.233 1.00 0.00 C ATOM 1416 CG ASP A 98 4.821 15.084 0.051 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.160 15.127 1.112 1.00 0.00 O ATOM 1418 OD2 ASP A 98 5.990 14.645 -0.005 1.00 0.00 O ATOM 0 H ASP A 98 3.434 13.234 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 98 2.155 15.467 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.758 15.235 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.225 16.680 -1.248 1.00 0.00 H new ATOM 1423 N TYR A 99 1.429 16.926 -2.456 1.00 0.00 N ATOM 1424 CA TYR A 99 0.802 17.672 -3.563 1.00 0.00 C ATOM 1425 C TYR A 99 1.832 18.249 -4.544 1.00 0.00 C ATOM 1426 O TYR A 99 1.578 18.327 -5.750 1.00 0.00 O ATOM 1427 CB TYR A 99 -0.061 18.811 -3.009 1.00 0.00 C ATOM 1428 CG TYR A 99 -1.279 18.347 -2.238 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -2.397 17.869 -2.904 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -1.310 18.396 -0.850 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -3.517 17.448 -2.211 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -2.425 17.977 -0.149 1.00 0.00 C ATOM 1433 CZ TYR A 99 -3.526 17.504 -0.833 1.00 0.00 C ATOM 1434 OH TYR A 99 -4.637 17.087 -0.138 1.00 0.00 O ATOM 0 H TYR A 99 1.281 17.347 -1.539 1.00 0.00 H new ATOM 0 HA TYR A 99 0.184 16.961 -4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.553 19.433 -2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.387 19.441 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.393 17.825 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.451 18.767 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.379 17.078 -2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.434 18.020 0.930 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.479 17.191 0.824 1.00 0.00 H new ATOM 1444 N GLU A 100 2.988 18.645 -4.003 1.00 0.00 N ATOM 1445 CA GLU A 100 4.079 19.251 -4.784 1.00 0.00 C ATOM 1446 C GLU A 100 4.791 18.241 -5.712 1.00 0.00 C ATOM 1447 O GLU A 100 4.987 18.525 -6.897 1.00 0.00 O ATOM 1448 CB GLU A 100 5.089 19.892 -3.814 1.00 0.00 C ATOM 1449 CG GLU A 100 6.092 20.840 -4.470 1.00 0.00 C ATOM 1450 CD GLU A 100 7.129 21.362 -3.494 1.00 0.00 C ATOM 1451 OE1 GLU A 100 6.761 22.163 -2.608 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.308 20.968 -3.614 1.00 0.00 O ATOM 0 H GLU A 100 3.197 18.556 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 100 3.642 20.007 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.539 20.440 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.638 19.099 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.596 20.322 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.556 21.682 -4.909 1.00 0.00 H new ATOM 1459 N THR A 101 5.171 17.079 -5.167 1.00 0.00 N ATOM 1460 CA THR A 101 5.885 16.051 -5.940 1.00 0.00 C ATOM 1461 C THR A 101 4.960 14.979 -6.505 1.00 0.00 C ATOM 1462 O THR A 101 5.250 14.412 -7.560 1.00 0.00 O ATOM 1463 CB THR A 101 6.976 15.370 -5.083 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.419 14.922 -3.841 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.139 16.318 -4.812 1.00 0.00 C ATOM 0 H THR A 101 4.997 16.826 -4.194 1.00 0.00 H new ATOM 0 HA THR A 101 6.341 16.577 -6.778 1.00 0.00 H new ATOM 0 HB THR A 101 7.355 14.514 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.118 14.490 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.890 15.809 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.584 16.628 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.776 17.196 -4.277 1.00 0.00 H new ATOM 1473 N GLU A 102 3.825 14.725 -5.822 1.00 0.00 N ATOM 1474 CA GLU A 102 2.838 13.690 -6.235 1.00 0.00 C ATOM 1475 C GLU A 102 3.502 12.306 -6.410 1.00 0.00 C ATOM 1476 O GLU A 102 2.997 11.441 -7.139 1.00 0.00 O ATOM 1477 CB GLU A 102 2.101 14.106 -7.528 1.00 0.00 C ATOM 1478 CG GLU A 102 1.177 15.304 -7.357 1.00 0.00 C ATOM 1479 CD GLU A 102 0.413 15.636 -8.623 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.024 16.206 -9.552 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.795 15.325 -8.687 1.00 0.00 O ATOM 0 H GLU A 102 3.562 15.225 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 102 2.104 13.608 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.839 14.336 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.518 13.259 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.470 15.101 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.764 16.171 -7.054 1.00 0.00 H new ATOM 1488 N LYS A 103 4.630 12.110 -5.711 1.00 0.00 N ATOM 1489 CA LYS A 103 5.392 10.861 -5.775 1.00 0.00 C ATOM 1490 C LYS A 103 5.418 10.189 -4.404 1.00 0.00 C ATOM 1491 O LYS A 103 5.331 10.870 -3.377 1.00 0.00 O ATOM 1492 CB LYS A 103 6.840 11.118 -6.236 1.00 0.00 C ATOM 1493 CG LYS A 103 6.977 11.997 -7.480 1.00 0.00 C ATOM 1494 CD LYS A 103 8.337 11.823 -8.138 1.00 0.00 C ATOM 1495 CE LYS A 103 8.512 12.770 -9.314 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.639 12.360 -10.195 1.00 0.00 N ATOM 0 H LYS A 103 5.035 12.810 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 103 4.901 10.209 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.388 11.585 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.318 10.158 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.192 11.745 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.835 13.042 -7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.123 12.003 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.449 10.794 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.590 12.801 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.690 13.780 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.725 13.032 -10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.523 12.355 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.458 11.407 -10.569 1.00 0.00 H new ATOM 1510 N HIS A 104 5.543 8.858 -4.392 1.00 0.00 N ATOM 1511 CA HIS A 104 5.591 8.104 -3.139 1.00 0.00 C ATOM 1512 C HIS A 104 7.025 7.665 -2.826 1.00 0.00 C ATOM 1513 O HIS A 104 7.865 7.573 -3.726 1.00 0.00 O ATOM 1514 CB HIS A 104 4.625 6.899 -3.178 1.00 0.00 C ATOM 1515 CG HIS A 104 4.978 5.821 -4.167 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.526 4.611 -3.792 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.843 5.770 -5.513 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.711 3.863 -4.864 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.305 4.543 -5.921 1.00 0.00 N ATOM 0 H HIS A 104 5.612 8.284 -5.233 1.00 0.00 H new ATOM 0 HA HIS A 104 5.260 8.760 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.583 6.456 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.624 7.265 -3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.446 6.549 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.124 2.865 -4.875 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.331 4.210 -6.885 1.00 0.00 H new ATOM 1528 N ARG A 105 7.286 7.394 -1.543 1.00 0.00 N ATOM 1529 CA ARG A 105 8.615 6.974 -1.081 1.00 0.00 C ATOM 1530 C ARG A 105 8.802 5.449 -1.159 1.00 0.00 C ATOM 1531 O ARG A 105 9.869 4.933 -0.804 1.00 0.00 O ATOM 1532 CB ARG A 105 8.854 7.466 0.351 1.00 0.00 C ATOM 1533 CG ARG A 105 8.997 8.977 0.474 1.00 0.00 C ATOM 1534 CD ARG A 105 9.334 9.390 1.897 1.00 0.00 C ATOM 1535 NE ARG A 105 9.300 10.846 2.071 1.00 0.00 N ATOM 1536 CZ ARG A 105 8.354 11.515 2.746 1.00 0.00 C ATOM 1537 NH1 ARG A 105 7.336 10.878 3.322 1.00 0.00 N ATOM 1538 NH2 ARG A 105 8.429 12.836 2.842 1.00 0.00 N ATOM 0 H ARG A 105 6.590 7.458 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 105 9.350 7.424 -1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.026 7.138 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.756 6.994 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.778 9.326 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.069 9.458 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.628 8.926 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.325 9.017 2.157 1.00 0.00 H new ATOM 0 HE ARG A 105 10.052 11.390 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.266 9.863 3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.627 11.405 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.203 13.336 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.713 13.352 3.354 1.00 0.00 H new ATOM 1552 N GLY A 106 7.770 4.740 -1.637 1.00 0.00 N ATOM 1553 CA GLY A 106 7.844 3.290 -1.762 1.00 0.00 C ATOM 1554 C GLY A 106 7.238 2.533 -0.594 1.00 0.00 C ATOM 1555 O GLY A 106 7.643 1.399 -0.326 1.00 0.00 O ATOM 0 H GLY A 106 6.885 5.148 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.336 2.989 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.889 2.998 -1.866 1.00 0.00 H new ATOM 1559 N PHE A 107 6.294 3.165 0.125 1.00 0.00 N ATOM 1560 CA PHE A 107 5.599 2.508 1.240 1.00 0.00 C ATOM 1561 C PHE A 107 4.160 3.014 1.365 1.00 0.00 C ATOM 1562 O PHE A 107 3.860 4.161 1.022 1.00 0.00 O ATOM 1563 CB PHE A 107 6.355 2.642 2.583 1.00 0.00 C ATOM 1564 CG PHE A 107 6.531 4.046 3.110 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.643 4.798 2.772 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.584 4.600 3.958 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.808 6.078 3.272 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.742 5.878 4.457 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.855 6.618 4.114 1.00 0.00 C ATOM 0 H PHE A 107 5.997 4.126 -0.047 1.00 0.00 H new ATOM 0 HA PHE A 107 5.572 1.444 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.825 2.058 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.341 2.193 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 107 8.389 4.382 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.712 4.025 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.681 6.654 3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.995 6.298 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.981 7.618 4.503 1.00 0.00 H new ATOM 1579 N ALA A 108 3.285 2.131 1.865 1.00 0.00 N ATOM 1580 CA ALA A 108 1.860 2.426 2.047 1.00 0.00 C ATOM 1581 C ALA A 108 1.278 1.590 3.191 1.00 0.00 C ATOM 1582 O ALA A 108 1.956 0.713 3.732 1.00 0.00 O ATOM 1583 CB ALA A 108 1.096 2.136 0.756 1.00 0.00 C ATOM 0 H ALA A 108 3.548 1.189 2.155 1.00 0.00 H new ATOM 0 HA ALA A 108 1.757 3.482 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.039 2.358 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.490 2.758 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.213 1.085 0.492 1.00 0.00 H new ATOM 1589 N PHE A 109 0.036 1.896 3.581 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.657 1.141 4.624 1.00 0.00 C ATOM 1591 C PHE A 109 -1.871 0.456 4.006 1.00 0.00 C ATOM 1592 O PHE A 109 -2.560 1.050 3.170 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.090 2.044 5.788 1.00 0.00 C ATOM 1594 CG PHE A 109 0.044 2.796 6.439 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.459 4.027 5.947 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.692 2.271 7.544 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.496 4.716 6.549 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.729 2.954 8.149 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.132 4.178 7.650 1.00 0.00 C ATOM 0 H PHE A 109 -0.509 2.663 3.188 1.00 0.00 H new ATOM 0 HA PHE A 109 0.028 0.398 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.825 2.761 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.587 1.434 6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.034 4.451 5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.382 1.314 7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.808 5.673 6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.224 2.532 9.011 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.943 4.713 8.121 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.133 -0.784 4.418 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.257 -1.552 3.877 1.00 0.00 C ATOM 1611 C VAL A 110 -4.295 -1.860 4.967 1.00 0.00 C ATOM 1612 O VAL A 110 -3.941 -2.276 6.074 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.750 -2.857 3.166 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.052 -3.821 4.129 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.880 -3.568 2.419 1.00 0.00 C ATOM 0 H VAL A 110 -1.585 -1.278 5.122 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.756 -0.942 3.124 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.007 -2.534 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.722 -4.705 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.189 -3.328 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.747 -4.118 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.491 -4.466 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.665 -3.844 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.291 -2.901 1.661 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.571 -1.646 4.626 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.675 -1.896 5.549 1.00 0.00 C ATOM 1627 C GLU A 111 -7.444 -3.153 5.155 1.00 0.00 C ATOM 1628 O GLU A 111 -7.884 -3.289 4.010 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.624 -0.692 5.580 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.607 0.082 6.892 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.520 -0.522 7.944 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.706 -0.131 7.996 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -8.049 -1.385 8.715 1.00 0.00 O ATOM 0 H GLU A 111 -5.862 -1.299 3.712 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.255 -2.047 6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.360 -0.015 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.639 -1.039 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.588 0.113 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.908 1.113 6.704 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.597 -4.063 6.118 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.318 -5.316 5.906 1.00 0.00 C ATOM 1642 C PHE A 112 -9.625 -5.326 6.689 1.00 0.00 C ATOM 1643 O PHE A 112 -9.671 -4.870 7.835 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.455 -6.511 6.322 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.524 -7.005 5.246 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -6.959 -7.940 4.318 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.218 -6.546 5.165 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -6.112 -8.407 3.334 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.367 -7.011 4.178 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.816 -7.942 3.263 1.00 0.00 C ATOM 0 H PHE A 112 -7.226 -3.952 7.062 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.545 -5.397 4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.867 -6.233 7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.109 -7.329 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.974 -8.307 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.862 -5.819 5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.464 -9.137 2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.352 -6.646 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.153 -8.306 2.492 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.689 -5.849 6.058 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.019 -5.939 6.684 1.00 0.00 C ATOM 1662 C GLU A 113 -11.988 -6.884 7.899 1.00 0.00 C ATOM 1663 O GLU A 113 -12.644 -6.626 8.914 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.050 -6.417 5.649 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.503 -6.218 6.061 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.481 -6.809 5.065 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.591 -6.265 3.945 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.136 -7.817 5.403 1.00 0.00 O ATOM 0 H GLU A 113 -10.653 -6.218 5.108 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.308 -4.950 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.876 -5.888 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.884 -7.476 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.665 -6.675 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.702 -5.152 6.171 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.220 -7.971 7.771 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.067 -8.955 8.841 1.00 0.00 C ATOM 1677 C LEU A 114 -9.726 -8.800 9.533 1.00 0.00 C ATOM 1678 O LEU A 114 -8.702 -8.603 8.878 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.170 -10.388 8.293 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.585 -10.958 8.156 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.222 -10.522 6.843 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.543 -12.477 8.251 1.00 0.00 C ATOM 0 H LEU A 114 -10.691 -8.190 6.927 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.871 -8.778 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.693 -10.416 7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.597 -11.047 8.945 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.196 -10.569 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.226 -10.940 6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.278 -9.434 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.618 -10.880 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.553 -12.876 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.917 -12.874 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.130 -12.770 9.216 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.744 -8.871 10.865 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.516 -8.810 11.664 1.00 0.00 C ATOM 1696 C ALA A 115 -7.760 -10.138 11.537 1.00 0.00 C ATOM 1697 O ALA A 115 -6.560 -10.224 11.810 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.840 -8.511 13.121 1.00 0.00 C ATOM 0 H ALA A 115 -10.597 -8.971 11.416 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.884 -8.004 11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.916 -8.470 13.698 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.354 -7.552 13.190 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.482 -9.297 13.520 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.516 -11.168 11.112 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.016 -12.529 10.903 1.00 0.00 C ATOM 1706 C GLU A 116 -7.101 -12.608 9.661 1.00 0.00 C ATOM 1707 O GLU A 116 -5.978 -13.122 9.743 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.235 -13.462 10.751 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.906 -14.940 10.650 1.00 0.00 C ATOM 1710 CD GLU A 116 -10.130 -15.802 10.399 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -10.748 -15.663 9.322 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -10.472 -16.617 11.282 1.00 0.00 O ATOM 0 H GLU A 116 -9.509 -11.070 10.902 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.411 -12.836 11.756 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.897 -13.311 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.790 -13.167 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.189 -15.093 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.423 -15.263 11.572 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.589 -12.078 8.526 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.831 -12.079 7.265 1.00 0.00 C ATOM 1721 C ASP A 117 -5.625 -11.128 7.321 1.00 0.00 C ATOM 1722 O ASP A 117 -4.595 -11.386 6.693 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.751 -11.786 6.056 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.510 -10.461 6.120 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -7.966 -9.477 6.654 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.656 -10.418 5.624 1.00 0.00 O ATOM 0 H ASP A 117 -8.509 -11.642 8.457 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.428 -13.082 7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.146 -11.796 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.474 -12.596 5.966 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.773 -10.027 8.082 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.707 -9.030 8.260 1.00 0.00 C ATOM 1733 C ALA A 118 -3.500 -9.643 8.980 1.00 0.00 C ATOM 1734 O ALA A 118 -2.348 -9.440 8.575 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.242 -7.840 9.041 1.00 0.00 C ATOM 0 H ALA A 118 -6.631 -9.807 8.587 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.377 -8.693 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.449 -7.104 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.070 -7.389 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.591 -8.173 10.018 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.789 -10.413 10.046 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.758 -11.112 10.820 1.00 0.00 C ATOM 1743 C ALA A 119 -2.105 -12.193 9.961 1.00 0.00 C ATOM 1744 O ALA A 119 -0.934 -12.536 10.149 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.360 -11.721 12.079 1.00 0.00 C ATOM 0 H ALA A 119 -4.738 -10.564 10.389 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.995 -10.394 11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.582 -12.236 12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.791 -10.932 12.695 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.139 -12.432 11.803 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.899 -12.716 9.011 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.447 -13.742 8.062 1.00 0.00 C ATOM 1753 C ALA A 120 -1.443 -13.163 7.060 1.00 0.00 C ATOM 1754 O ALA A 120 -0.497 -13.843 6.652 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.638 -14.334 7.319 1.00 0.00 C ATOM 0 H ALA A 120 -3.872 -12.438 8.881 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.950 -14.529 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.289 -15.093 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.324 -14.788 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.154 -13.545 6.772 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.664 -11.892 6.680 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.798 -11.181 5.730 1.00 0.00 C ATOM 1763 C ALA A 121 0.594 -10.915 6.313 1.00 0.00 C ATOM 1764 O ALA A 121 1.599 -11.045 5.608 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.454 -9.874 5.303 1.00 0.00 C ATOM 0 H ALA A 121 -2.445 -11.333 7.023 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.667 -11.821 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.805 -9.354 4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.411 -10.086 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.617 -9.246 6.179 1.00 0.00 H new ATOM 1771 N ILE A 122 0.641 -10.540 7.605 1.00 0.00 N ATOM 1772 CA ILE A 122 1.914 -10.261 8.298 1.00 0.00 C ATOM 1773 C ILE A 122 2.731 -11.546 8.542 1.00 0.00 C ATOM 1774 O ILE A 122 3.964 -11.516 8.498 1.00 0.00 O ATOM 1775 CB ILE A 122 1.690 -9.488 9.640 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.072 -8.106 9.359 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.007 -9.318 10.418 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.189 -7.578 10.471 1.00 0.00 C ATOM 0 H ILE A 122 -0.186 -10.423 8.190 1.00 0.00 H new ATOM 0 HA ILE A 122 2.492 -9.619 7.634 1.00 0.00 H new ATOM 0 HB ILE A 122 1.006 -10.076 10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.876 -7.392 9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.486 -8.163 8.442 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.815 -8.777 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.422 -10.299 10.650 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.718 -8.757 9.811 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.204 -6.601 10.190 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.638 -8.268 10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.773 -7.485 11.386 1.00 0.00 H new ATOM 1790 N ASP A 123 2.034 -12.658 8.796 1.00 0.00 N ATOM 1791 CA ASP A 123 2.683 -13.948 9.058 1.00 0.00 C ATOM 1792 C ASP A 123 3.078 -14.694 7.772 1.00 0.00 C ATOM 1793 O ASP A 123 3.896 -15.618 7.826 1.00 0.00 O ATOM 1794 CB ASP A 123 1.761 -14.832 9.901 1.00 0.00 C ATOM 1795 CG ASP A 123 2.522 -15.667 10.914 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.127 -15.080 11.835 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.510 -16.910 10.786 1.00 0.00 O ATOM 0 H ASP A 123 1.015 -12.691 8.826 1.00 0.00 H new ATOM 0 HA ASP A 123 3.604 -13.733 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.038 -14.204 10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.195 -15.492 9.243 1.00 0.00 H new ATOM 1802 N ASN A 124 2.501 -14.297 6.629 1.00 0.00 N ATOM 1803 CA ASN A 124 2.783 -14.964 5.355 1.00 0.00 C ATOM 1804 C ASN A 124 3.806 -14.226 4.485 1.00 0.00 C ATOM 1805 O ASN A 124 4.704 -14.867 3.930 1.00 0.00 O ATOM 1806 CB ASN A 124 1.488 -15.172 4.565 1.00 0.00 C ATOM 1807 CG ASN A 124 0.713 -16.397 5.022 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.264 -17.495 5.126 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.574 -16.216 5.291 1.00 0.00 N ATOM 0 H ASN A 124 1.841 -13.522 6.563 1.00 0.00 H new ATOM 0 HA ASN A 124 3.228 -15.925 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.858 -14.289 4.669 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.725 -15.271 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.147 -17.003 5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.990 -15.290 5.192 1.00 0.00 H new ATOM 1816 N MET A 125 3.683 -12.893 4.359 1.00 0.00 N ATOM 1817 CA MET A 125 4.602 -12.125 3.510 1.00 0.00 C ATOM 1818 C MET A 125 5.193 -10.904 4.231 1.00 0.00 C ATOM 1819 O MET A 125 5.172 -9.785 3.704 1.00 0.00 O ATOM 1820 CB MET A 125 3.893 -11.700 2.212 1.00 0.00 C ATOM 1821 CG MET A 125 3.661 -12.845 1.236 1.00 0.00 C ATOM 1822 SD MET A 125 2.951 -12.290 -0.326 1.00 0.00 S ATOM 1823 CE MET A 125 2.719 -13.853 -1.168 1.00 0.00 C ATOM 0 H MET A 125 2.968 -12.336 4.827 1.00 0.00 H new ATOM 0 HA MET A 125 5.440 -12.779 3.266 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.933 -11.250 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.487 -10.930 1.720 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.607 -13.350 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.997 -13.578 1.693 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.286 -13.675 -2.152 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.681 -14.352 -1.280 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.049 -14.484 -0.585 1.00 0.00 H new ATOM 1833 N ASN A 126 5.736 -11.130 5.437 1.00 0.00 N ATOM 1834 CA ASN A 126 6.366 -10.057 6.230 1.00 0.00 C ATOM 1835 C ASN A 126 7.608 -9.497 5.511 1.00 0.00 C ATOM 1836 O ASN A 126 7.878 -8.295 5.561 1.00 0.00 O ATOM 1837 CB ASN A 126 6.750 -10.587 7.619 1.00 0.00 C ATOM 1838 CG ASN A 126 6.889 -9.487 8.662 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.587 -8.494 8.450 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.222 -9.662 9.797 1.00 0.00 N ATOM 0 H ASN A 126 5.753 -12.045 5.887 1.00 0.00 H new ATOM 0 HA ASN A 126 5.646 -9.246 6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.995 -11.300 7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.692 -11.131 7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.276 -8.959 10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.655 -10.499 9.932 1.00 0.00 H new ATOM 1847 N GLU A 127 8.349 -10.399 4.850 1.00 0.00 N ATOM 1848 CA GLU A 127 9.554 -10.053 4.093 1.00 0.00 C ATOM 1849 C GLU A 127 9.630 -10.940 2.834 1.00 0.00 C ATOM 1850 O GLU A 127 10.398 -11.911 2.777 1.00 0.00 O ATOM 1851 CB GLU A 127 10.811 -10.213 4.978 1.00 0.00 C ATOM 1852 CG GLU A 127 12.064 -9.542 4.421 1.00 0.00 C ATOM 1853 CD GLU A 127 13.298 -9.820 5.257 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.372 -9.311 6.396 1.00 0.00 O ATOM 1855 OE2 GLU A 127 14.191 -10.547 4.773 1.00 0.00 O ATOM 0 H GLU A 127 8.125 -11.394 4.828 1.00 0.00 H new ATOM 0 HA GLU A 127 9.509 -9.009 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.601 -9.800 5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.012 -11.276 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 127 12.235 -9.890 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.901 -8.466 4.368 1.00 0.00 H new ATOM 1862 N SER A 128 8.811 -10.592 1.836 1.00 0.00 N ATOM 1863 CA SER A 128 8.747 -11.337 0.574 1.00 0.00 C ATOM 1864 C SER A 128 9.122 -10.448 -0.613 1.00 0.00 C ATOM 1865 O SER A 128 9.135 -9.221 -0.498 1.00 0.00 O ATOM 1866 CB SER A 128 7.339 -11.914 0.381 1.00 0.00 C ATOM 1867 OG SER A 128 7.312 -12.855 -0.680 1.00 0.00 O ATOM 0 H SER A 128 8.179 -9.793 1.879 1.00 0.00 H new ATOM 0 HA SER A 128 9.468 -12.153 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.009 -12.392 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.637 -11.106 0.172 1.00 0.00 H new ATOM 0 HG SER A 128 6.404 -13.209 -0.781 1.00 0.00 H new ATOM 1873 N GLU A 129 9.447 -11.082 -1.750 1.00 0.00 N ATOM 1874 CA GLU A 129 9.820 -10.363 -2.965 1.00 0.00 C ATOM 1875 C GLU A 129 8.583 -10.066 -3.824 1.00 0.00 C ATOM 1876 O GLU A 129 7.890 -10.982 -4.281 1.00 0.00 O ATOM 1877 CB GLU A 129 10.844 -11.190 -3.755 1.00 0.00 C ATOM 1878 CG GLU A 129 11.685 -10.375 -4.725 1.00 0.00 C ATOM 1879 CD GLU A 129 12.608 -11.235 -5.569 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.569 -11.802 -5.008 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.369 -11.340 -6.789 1.00 0.00 O ATOM 0 H GLU A 129 9.457 -12.097 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 129 10.269 -9.409 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.507 -11.695 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.317 -11.966 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.026 -9.806 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.279 -9.653 -4.165 1.00 0.00 H new ATOM 1888 N LEU A 130 8.323 -8.771 -4.021 1.00 0.00 N ATOM 1889 CA LEU A 130 7.189 -8.302 -4.820 1.00 0.00 C ATOM 1890 C LEU A 130 7.654 -7.227 -5.805 1.00 0.00 C ATOM 1891 O LEU A 130 8.357 -6.289 -5.419 1.00 0.00 O ATOM 1892 CB LEU A 130 6.081 -7.755 -3.900 1.00 0.00 C ATOM 1893 CG LEU A 130 4.710 -7.523 -4.559 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.876 -8.798 -4.540 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.971 -6.392 -3.859 1.00 0.00 C ATOM 0 H LEU A 130 8.892 -8.019 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 130 6.781 -9.139 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.950 -8.449 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.422 -6.811 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 130 4.874 -7.241 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.911 -8.609 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.399 -9.583 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.720 -9.115 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.003 -6.240 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.822 -6.649 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.558 -5.476 -3.928 1.00 0.00 H new ATOM 1907 N PHE A 131 7.253 -7.375 -7.086 1.00 0.00 N ATOM 1908 CA PHE A 131 7.613 -6.433 -8.179 1.00 0.00 C ATOM 1909 C PHE A 131 9.137 -6.386 -8.435 1.00 0.00 C ATOM 1910 O PHE A 131 9.634 -5.484 -9.123 1.00 0.00 O ATOM 1911 CB PHE A 131 7.074 -5.013 -7.896 1.00 0.00 C ATOM 1912 CG PHE A 131 6.531 -4.320 -9.115 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.358 -3.543 -9.911 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.195 -4.445 -9.466 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.865 -2.906 -11.033 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.696 -3.810 -10.587 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.532 -3.038 -11.371 1.00 0.00 C ATOM 0 H PHE A 131 6.669 -8.151 -7.397 1.00 0.00 H new ATOM 0 HA PHE A 131 7.138 -6.813 -9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.288 -5.075 -7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.875 -4.408 -7.471 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.401 -3.434 -9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.537 -5.046 -8.856 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.521 -2.305 -11.646 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.654 -3.917 -10.850 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.144 -2.539 -12.246 1.00 0.00 H new ATOM 1927 N GLY A 132 9.862 -7.374 -7.892 1.00 0.00 N ATOM 1928 CA GLY A 132 11.311 -7.441 -8.057 1.00 0.00 C ATOM 1929 C GLY A 132 12.077 -6.853 -6.879 1.00 0.00 C ATOM 1930 O GLY A 132 13.310 -6.806 -6.903 1.00 0.00 O ATOM 0 H GLY A 132 9.466 -8.133 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.607 -8.481 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.592 -6.909 -8.966 1.00 0.00 H new ATOM 1934 N ARG A 133 11.342 -6.408 -5.852 1.00 0.00 N ATOM 1935 CA ARG A 133 11.941 -5.816 -4.650 1.00 0.00 C ATOM 1936 C ARG A 133 11.431 -6.511 -3.390 1.00 0.00 C ATOM 1937 O ARG A 133 10.347 -7.100 -3.398 1.00 0.00 O ATOM 1938 CB ARG A 133 11.615 -4.321 -4.560 1.00 0.00 C ATOM 1939 CG ARG A 133 12.240 -3.466 -5.652 1.00 0.00 C ATOM 1940 CD ARG A 133 11.985 -1.989 -5.400 1.00 0.00 C ATOM 1941 NE ARG A 133 12.922 -1.427 -4.418 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.588 -0.559 -3.452 1.00 0.00 C ATOM 1943 NH1 ARG A 133 11.334 -0.130 -3.314 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.520 -0.116 -2.618 1.00 0.00 N ATOM 0 H ARG A 133 10.323 -6.448 -5.831 1.00 0.00 H new ATOM 0 HA ARG A 133 13.020 -5.948 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.533 -4.197 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.947 -3.948 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.313 -3.651 -5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.829 -3.750 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.072 -1.441 -6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.963 -1.853 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 133 13.898 -1.718 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.609 -0.462 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 133 11.100 0.530 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.484 -0.436 -2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.273 0.544 -1.881 1.00 0.00 H new ATOM 1958 N THR A 134 12.217 -6.430 -2.306 1.00 0.00 N ATOM 1959 CA THR A 134 11.840 -7.027 -1.020 1.00 0.00 C ATOM 1960 C THR A 134 10.895 -6.081 -0.270 1.00 0.00 C ATOM 1961 O THR A 134 11.158 -4.877 -0.188 1.00 0.00 O ATOM 1962 CB THR A 134 13.081 -7.328 -0.140 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.200 -7.680 -0.966 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.807 -8.468 0.837 1.00 0.00 C ATOM 0 H THR A 134 13.120 -5.955 -2.297 1.00 0.00 H new ATOM 0 HA THR A 134 11.338 -7.972 -1.225 1.00 0.00 H new ATOM 0 HB THR A 134 13.307 -6.426 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.978 -7.866 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.697 -8.653 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.978 -8.196 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.550 -9.370 0.281 1.00 0.00 H new ATOM 1972 N ILE A 135 9.805 -6.635 0.270 1.00 0.00 N ATOM 1973 CA ILE A 135 8.813 -5.831 0.992 1.00 0.00 C ATOM 1974 C ILE A 135 8.730 -6.214 2.472 1.00 0.00 C ATOM 1975 O ILE A 135 9.048 -7.343 2.853 1.00 0.00 O ATOM 1976 CB ILE A 135 7.397 -5.898 0.338 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.912 -7.353 0.148 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.399 -5.155 -0.998 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.449 -7.564 0.486 1.00 0.00 C ATOM 0 H ILE A 135 9.588 -7.630 0.222 1.00 0.00 H new ATOM 0 HA ILE A 135 9.162 -4.801 0.924 1.00 0.00 H new ATOM 0 HB ILE A 135 6.697 -5.412 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.082 -7.650 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.517 -8.011 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.406 -5.208 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.668 -4.111 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.124 -5.615 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.186 -8.610 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.275 -7.301 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.833 -6.933 -0.155 1.00 0.00 H new ATOM 1991 N ARG A 136 8.295 -5.248 3.285 1.00 0.00 N ATOM 1992 CA ARG A 136 8.158 -5.428 4.727 1.00 0.00 C ATOM 1993 C ARG A 136 6.729 -5.102 5.162 1.00 0.00 C ATOM 1994 O ARG A 136 6.183 -4.064 4.770 1.00 0.00 O ATOM 1995 CB ARG A 136 9.143 -4.494 5.450 1.00 0.00 C ATOM 1996 CG ARG A 136 9.405 -4.848 6.910 1.00 0.00 C ATOM 1997 CD ARG A 136 10.659 -5.687 7.056 1.00 0.00 C ATOM 1998 NE ARG A 136 10.882 -6.115 8.440 1.00 0.00 N ATOM 1999 CZ ARG A 136 12.045 -6.586 8.915 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.115 -6.698 8.131 1.00 0.00 N ATOM 2001 NH2 ARG A 136 12.134 -6.946 10.188 1.00 0.00 N ATOM 0 H ARG A 136 8.028 -4.319 2.959 1.00 0.00 H new ATOM 0 HA ARG A 136 8.378 -6.464 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.091 -4.503 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.758 -3.475 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.506 -3.934 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.551 -5.393 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.583 -6.565 6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.520 -5.113 6.712 1.00 0.00 H new ATOM 0 HE ARG A 136 10.097 -6.050 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.060 -6.423 7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 136 13.990 -7.058 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 136 11.322 -6.864 10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 136 13.015 -7.305 10.556 1.00 0.00 H new ATOM 2015 N VAL A 137 6.128 -5.987 5.968 1.00 0.00 N ATOM 2016 CA VAL A 137 4.770 -5.759 6.467 1.00 0.00 C ATOM 2017 C VAL A 137 4.711 -5.989 7.984 1.00 0.00 C ATOM 2018 O VAL A 137 5.248 -6.976 8.497 1.00 0.00 O ATOM 2019 CB VAL A 137 3.661 -6.588 5.705 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.107 -7.021 4.310 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.184 -7.800 6.484 1.00 0.00 C ATOM 0 H VAL A 137 6.556 -6.857 6.284 1.00 0.00 H new ATOM 0 HA VAL A 137 4.535 -4.715 6.259 1.00 0.00 H new ATOM 0 HB VAL A 137 2.822 -5.900 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.307 -7.587 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.336 -6.139 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.996 -7.646 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.424 -8.327 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.026 -8.467 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.760 -7.478 7.435 1.00 0.00 H new ATOM 2031 N ASN A 138 4.067 -5.047 8.685 1.00 0.00 N ATOM 2032 CA ASN A 138 3.912 -5.098 10.148 1.00 0.00 C ATOM 2033 C ASN A 138 2.580 -4.463 10.561 1.00 0.00 C ATOM 2034 O ASN A 138 1.891 -3.872 9.729 1.00 0.00 O ATOM 2035 CB ASN A 138 5.079 -4.373 10.848 1.00 0.00 C ATOM 2036 CG ASN A 138 6.404 -5.107 10.710 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.317 -4.636 10.033 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.516 -6.261 11.360 1.00 0.00 N ATOM 0 H ASN A 138 3.638 -4.227 8.256 1.00 0.00 H new ATOM 0 HA ASN A 138 3.920 -6.144 10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.180 -3.371 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.844 -4.255 11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.385 -6.793 11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.733 -6.615 11.910 1.00 0.00 H new ATOM 2045 N LEU A 139 2.217 -4.594 11.848 1.00 0.00 N ATOM 2046 CA LEU A 139 0.969 -4.015 12.371 1.00 0.00 C ATOM 2047 C LEU A 139 1.060 -2.487 12.451 1.00 0.00 C ATOM 2048 O LEU A 139 2.025 -1.944 12.998 1.00 0.00 O ATOM 2049 CB LEU A 139 0.651 -4.583 13.759 1.00 0.00 C ATOM 2050 CG LEU A 139 0.357 -6.087 13.811 1.00 0.00 C ATOM 2051 CD1 LEU A 139 0.709 -6.639 15.179 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.107 -6.368 13.492 1.00 0.00 C ATOM 0 H LEU A 139 2.769 -5.095 12.544 1.00 0.00 H new ATOM 0 HA LEU A 139 0.168 -4.282 11.682 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.493 -4.373 14.419 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.210 -4.049 14.161 1.00 0.00 H new ATOM 0 HG LEU A 139 0.970 -6.582 13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.497 -7.708 15.206 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.768 -6.475 15.376 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.115 -6.132 15.940 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.289 -7.442 13.536 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.742 -5.862 14.220 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.338 -6.001 12.492 1.00 0.00 H new ATOM 2064 N ALA A 140 0.048 -1.811 11.899 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.004 -0.350 11.886 1.00 0.00 C ATOM 2066 C ALA A 140 -0.926 0.179 12.980 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.461 0.148 10.521 1.00 0.00 C ATOM 0 H ALA A 140 -0.752 -2.259 11.452 1.00 0.00 H new ATOM 0 HA ALA A 140 1.000 0.026 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.496 1.237 10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.239 -0.191 9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.454 -0.246 10.304 1.00 0.00 H new