USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=9 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 153:sc= -0.0126 (180deg=0) USER MOD Set 1.2: A 128 SER OG : rot 70:sc= -0.559 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -1.16 F(o=-2.1!,f=-1.2) USER MOD Single : A 91 THR OG1 : rot -155:sc= -2.42! 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 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -0.9 K(o=-0.9,f=-3.1) USER MOD Single : A 124 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.15) USER MOD Single : A 126 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.4!) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0572 X(o=-0.057,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.089 -5.357 11.595 1.00 0.00 N ATOM 883 CA ARG A 64 -6.784 -4.951 10.370 1.00 0.00 C ATOM 884 C ARG A 64 -5.911 -4.046 9.494 1.00 0.00 C ATOM 885 O ARG A 64 -5.909 -4.188 8.268 1.00 0.00 O ATOM 886 CB ARG A 64 -8.096 -4.246 10.720 1.00 0.00 C ATOM 887 CG ARG A 64 -9.159 -5.180 11.276 1.00 0.00 C ATOM 888 CD ARG A 64 -10.395 -4.412 11.696 1.00 0.00 C ATOM 889 NE ARG A 64 -11.474 -5.301 12.141 1.00 0.00 N ATOM 890 CZ ARG A 64 -11.915 -5.397 13.405 1.00 0.00 C ATOM 891 NH1 ARG A 64 -11.379 -4.665 14.380 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.902 -6.235 13.692 1.00 0.00 N ATOM 0 HA ARG A 64 -7.001 -5.852 9.796 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.894 -3.463 11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.485 -3.757 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.426 -5.921 10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.758 -5.725 12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.137 -3.724 12.502 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.746 -3.807 10.860 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.922 -5.889 11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.619 -4.017 14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.728 -4.752 15.334 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.321 -6.801 12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.242 -6.313 14.650 1.00 0.00 H new ATOM 906 N VAL A 65 -5.174 -3.123 10.128 1.00 0.00 N ATOM 907 CA VAL A 65 -4.288 -2.200 9.404 1.00 0.00 C ATOM 908 C VAL A 65 -2.838 -2.663 9.566 1.00 0.00 C ATOM 909 O VAL A 65 -2.361 -2.841 10.689 1.00 0.00 O ATOM 910 CB VAL A 65 -4.428 -0.725 9.900 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.747 0.251 8.941 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.894 -0.329 10.081 1.00 0.00 C ATOM 0 H VAL A 65 -5.174 -2.996 11.140 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.580 -2.216 8.354 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.932 -0.670 10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.863 1.268 9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.687 0.009 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.206 0.172 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.952 0.703 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.416 -0.423 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.360 -0.985 10.817 1.00 0.00 H new ATOM 922 N LEU A 66 -2.153 -2.856 8.434 1.00 0.00 N ATOM 923 CA LEU A 66 -0.760 -3.318 8.437 1.00 0.00 C ATOM 924 C LEU A 66 0.141 -2.352 7.669 1.00 0.00 C ATOM 925 O LEU A 66 -0.333 -1.582 6.828 1.00 0.00 O ATOM 926 CB LEU A 66 -0.637 -4.744 7.845 1.00 0.00 C ATOM 927 CG LEU A 66 -1.935 -5.566 7.732 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.750 -6.702 6.742 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.366 -6.112 9.089 1.00 0.00 C ATOM 0 H LEU A 66 -2.540 -2.700 7.503 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.432 -3.349 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.200 -4.662 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.068 -5.306 8.457 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.723 -4.904 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.674 -7.276 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.499 -6.294 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.944 -7.353 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.285 -6.687 8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.582 -6.756 9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.540 -5.284 9.776 1.00 0.00 H new ATOM 941 N TYR A 67 1.443 -2.408 7.969 1.00 0.00 N ATOM 942 CA TYR A 67 2.441 -1.570 7.308 1.00 0.00 C ATOM 943 C TYR A 67 3.101 -2.347 6.172 1.00 0.00 C ATOM 944 O TYR A 67 3.644 -3.424 6.396 1.00 0.00 O ATOM 945 CB TYR A 67 3.509 -1.104 8.332 1.00 0.00 C ATOM 946 CG TYR A 67 4.760 -0.471 7.724 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.830 0.895 7.477 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.865 -1.255 7.389 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.963 1.461 6.917 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.999 -0.697 6.827 1.00 0.00 C ATOM 951 CZ TYR A 67 7.042 0.662 6.594 1.00 0.00 C ATOM 952 OH TYR A 67 8.167 1.225 6.035 1.00 0.00 O ATOM 0 H TYR A 67 1.831 -3.034 8.675 1.00 0.00 H new ATOM 0 HA TYR A 67 1.948 -0.690 6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.050 -0.384 9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.811 -1.961 8.934 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.988 1.524 7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.834 -2.319 7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.003 2.525 6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.844 -1.320 6.573 1.00 0.00 H new ATOM 0 HH TYR A 67 8.834 0.527 5.869 1.00 0.00 H new ATOM 962 N VAL A 68 3.043 -1.795 4.963 1.00 0.00 N ATOM 963 CA VAL A 68 3.685 -2.421 3.810 1.00 0.00 C ATOM 964 C VAL A 68 4.643 -1.430 3.162 1.00 0.00 C ATOM 965 O VAL A 68 4.219 -0.399 2.630 1.00 0.00 O ATOM 966 CB VAL A 68 2.675 -2.981 2.761 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.146 -4.331 3.214 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.511 -2.028 2.482 1.00 0.00 C ATOM 0 H VAL A 68 2.561 -0.920 4.756 1.00 0.00 H new ATOM 0 HA VAL A 68 4.235 -3.286 4.180 1.00 0.00 H new ATOM 0 HB VAL A 68 3.223 -3.092 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.442 -4.713 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.976 -5.030 3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.640 -4.220 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.844 -2.474 1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.961 -1.845 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.898 -1.084 2.097 1.00 0.00 H new ATOM 978 N GLY A 69 5.935 -1.758 3.219 1.00 0.00 N ATOM 979 CA GLY A 69 6.960 -0.894 2.659 1.00 0.00 C ATOM 980 C GLY A 69 7.965 -1.652 1.828 1.00 0.00 C ATOM 981 O GLY A 69 8.101 -2.866 1.971 1.00 0.00 O ATOM 0 H GLY A 69 6.289 -2.613 3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.488 -0.128 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.478 -0.378 3.468 1.00 0.00 H new ATOM 985 N GLY A 70 8.672 -0.923 0.965 1.00 0.00 N ATOM 986 CA GLY A 70 9.666 -1.533 0.094 1.00 0.00 C ATOM 987 C GLY A 70 9.093 -1.831 -1.276 1.00 0.00 C ATOM 988 O GLY A 70 9.465 -2.819 -1.913 1.00 0.00 O ATOM 0 H GLY A 70 8.573 0.086 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.523 -0.866 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.031 -2.455 0.546 1.00 0.00 H new ATOM 992 N LEU A 71 8.175 -0.962 -1.712 1.00 0.00 N ATOM 993 CA LEU A 71 7.503 -1.100 -3.001 1.00 0.00 C ATOM 994 C LEU A 71 8.243 -0.336 -4.100 1.00 0.00 C ATOM 995 O LEU A 71 9.111 0.497 -3.821 1.00 0.00 O ATOM 996 CB LEU A 71 6.053 -0.602 -2.913 1.00 0.00 C ATOM 997 CG LEU A 71 5.198 -1.192 -1.787 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.256 -0.297 -0.569 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.761 -1.369 -2.248 1.00 0.00 C ATOM 0 H LEU A 71 7.879 -0.144 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 71 7.503 -2.160 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.070 0.482 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.561 -0.813 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 71 5.596 -2.172 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.645 -0.725 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.288 -0.213 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.877 0.692 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.168 -1.789 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.349 -0.402 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.734 -2.044 -3.104 1.00 0.00 H new ATOM 1011 N ALA A 72 7.880 -0.641 -5.348 1.00 0.00 N ATOM 1012 CA ALA A 72 8.483 -0.017 -6.531 1.00 0.00 C ATOM 1013 C ALA A 72 7.758 1.276 -6.918 1.00 0.00 C ATOM 1014 O ALA A 72 6.629 1.510 -6.497 1.00 0.00 O ATOM 1015 CB ALA A 72 8.473 -1.000 -7.692 1.00 0.00 C ATOM 0 H ALA A 72 7.159 -1.328 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 72 9.513 0.246 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.922 -0.532 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.044 -1.888 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.446 -1.285 -7.919 1.00 0.00 H new ATOM 1021 N GLU A 73 8.430 2.122 -7.712 1.00 0.00 N ATOM 1022 CA GLU A 73 7.860 3.403 -8.176 1.00 0.00 C ATOM 1023 C GLU A 73 6.714 3.193 -9.170 1.00 0.00 C ATOM 1024 O GLU A 73 5.763 3.978 -9.208 1.00 0.00 O ATOM 1025 CB GLU A 73 8.948 4.261 -8.821 1.00 0.00 C ATOM 1026 CG GLU A 73 10.024 4.681 -7.842 1.00 0.00 C ATOM 1027 CD GLU A 73 11.188 5.385 -8.510 1.00 0.00 C ATOM 1028 OE1 GLU A 73 12.015 4.695 -9.142 1.00 0.00 O ATOM 1029 OE2 GLU A 73 11.273 6.627 -8.403 1.00 0.00 O ATOM 0 H GLU A 73 9.376 1.944 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 73 7.456 3.915 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.405 3.705 -9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.492 5.150 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.588 5.342 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.392 3.801 -7.315 1.00 0.00 H new ATOM 1036 N GLU A 74 6.826 2.123 -9.968 1.00 0.00 N ATOM 1037 CA GLU A 74 5.817 1.776 -10.974 1.00 0.00 C ATOM 1038 C GLU A 74 4.641 0.997 -10.359 1.00 0.00 C ATOM 1039 O GLU A 74 3.730 0.567 -11.077 1.00 0.00 O ATOM 1040 CB GLU A 74 6.459 0.964 -12.110 1.00 0.00 C ATOM 1041 CG GLU A 74 7.445 1.758 -12.959 1.00 0.00 C ATOM 1042 CD GLU A 74 7.998 0.951 -14.117 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.863 0.083 -13.878 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.565 1.188 -15.265 1.00 0.00 O ATOM 0 H GLU A 74 7.615 1.477 -9.934 1.00 0.00 H new ATOM 0 HA GLU A 74 5.419 2.707 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.974 0.104 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.671 0.575 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.951 2.649 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.269 2.097 -12.331 1.00 0.00 H new ATOM 1051 N VAL A 75 4.658 0.835 -9.023 1.00 0.00 N ATOM 1052 CA VAL A 75 3.592 0.113 -8.314 1.00 0.00 C ATOM 1053 C VAL A 75 2.419 1.059 -7.974 1.00 0.00 C ATOM 1054 O VAL A 75 2.636 2.210 -7.584 1.00 0.00 O ATOM 1055 CB VAL A 75 4.150 -0.615 -7.043 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.168 0.267 -5.800 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.372 -1.891 -6.760 1.00 0.00 C ATOM 0 H VAL A 75 5.396 1.194 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 75 3.203 -0.660 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 75 5.186 -0.862 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.566 -0.299 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.798 1.138 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.154 0.594 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.779 -2.377 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.323 -1.648 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.455 -2.565 -7.613 1.00 0.00 H new ATOM 1067 N ASP A 76 1.190 0.554 -8.137 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.023 1.339 -7.873 1.00 0.00 C ATOM 1069 C ASP A 76 -0.943 0.633 -6.866 1.00 0.00 C ATOM 1070 O ASP A 76 -0.678 -0.504 -6.464 1.00 0.00 O ATOM 1071 CB ASP A 76 -0.776 1.604 -9.191 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.002 2.487 -10.164 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.683 3.429 -9.707 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.083 2.232 -11.383 1.00 0.00 O ATOM 0 H ASP A 76 1.009 -0.399 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 76 0.280 2.290 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.996 0.651 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.732 2.076 -8.966 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.029 1.326 -6.463 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.015 0.797 -5.498 1.00 0.00 C ATOM 1081 C ASP A 77 -3.702 -0.475 -6.009 1.00 0.00 C ATOM 1082 O ASP A 77 -4.047 -1.363 -5.225 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.079 1.856 -5.193 1.00 0.00 C ATOM 1084 CG ASP A 77 -3.548 2.991 -4.341 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.055 3.985 -4.916 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -3.632 2.888 -3.100 1.00 0.00 O ATOM 0 H ASP A 77 -2.246 2.265 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.467 0.544 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.463 2.260 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.918 1.385 -4.681 1.00 0.00 H new ATOM 1091 N LYS A 78 -3.891 -0.541 -7.335 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.540 -1.682 -8.004 1.00 0.00 C ATOM 1093 C LYS A 78 -3.684 -2.938 -7.869 1.00 0.00 C ATOM 1094 O LYS A 78 -4.193 -4.043 -7.662 1.00 0.00 O ATOM 1095 CB LYS A 78 -4.749 -1.357 -9.487 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.644 -0.155 -9.731 1.00 0.00 C ATOM 1097 CD LYS A 78 -5.772 0.145 -11.209 1.00 0.00 C ATOM 1098 CE LYS A 78 -6.529 1.440 -11.440 1.00 0.00 C ATOM 1099 NZ LYS A 78 -6.438 1.894 -12.855 1.00 0.00 N ATOM 0 H LYS A 78 -3.598 0.196 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.504 -1.864 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.779 -1.176 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.181 -2.226 -9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.631 -0.343 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.237 0.715 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.780 0.215 -11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.289 -0.676 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.576 1.301 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.131 2.215 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.968 2.781 -12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.441 2.052 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.841 1.167 -13.480 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.371 -2.724 -7.993 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.357 -3.761 -7.876 1.00 0.00 C ATOM 1115 C VAL A 79 -1.279 -4.288 -6.427 1.00 0.00 C ATOM 1116 O VAL A 79 -1.180 -5.499 -6.201 1.00 0.00 O ATOM 1117 CB VAL A 79 0.016 -3.179 -8.320 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.132 -4.183 -8.156 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.027 -2.689 -9.765 1.00 0.00 C ATOM 0 H VAL A 79 -1.980 -1.801 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.622 -4.599 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 79 0.219 -2.330 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.073 -3.737 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.208 -4.475 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.922 -5.063 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.948 -2.289 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.279 -3.520 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.781 -1.908 -9.862 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.341 -3.355 -5.459 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.280 -3.683 -4.027 1.00 0.00 C ATOM 1131 C LEU A 80 -2.529 -4.446 -3.567 1.00 0.00 C ATOM 1132 O LEU A 80 -2.439 -5.352 -2.735 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.115 -2.399 -3.200 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.305 -2.543 -1.902 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.367 -1.225 -1.549 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.187 -3.007 -0.751 1.00 0.00 C ATOM 0 H LEU A 80 -1.434 -2.357 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.417 -4.331 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.635 -1.645 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.106 -2.021 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 80 0.462 -3.300 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.937 -1.343 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.038 -0.931 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.392 -0.455 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.586 -3.100 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.982 -2.280 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.626 -3.974 -0.996 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.691 -4.063 -4.122 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.978 -4.696 -3.799 1.00 0.00 C ATOM 1150 C HIS A 81 -5.046 -6.139 -4.332 1.00 0.00 C ATOM 1151 O HIS A 81 -5.421 -7.063 -3.603 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.126 -3.855 -4.381 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.445 -4.048 -3.693 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.427 -4.959 -3.897 1.00 0.00 N flip ATOM 1155 CD2 HIS A 81 -7.883 -3.241 -2.664 1.00 0.00 C flip ATOM 1156 CE1 HIS A 81 -9.429 -4.687 -2.998 1.00 0.00 C flip ATOM 1157 NE2 HIS A 81 -9.075 -3.646 -2.266 1.00 0.00 N flip ATOM 0 H HIS A 81 -3.763 -3.309 -4.805 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.075 -4.742 -2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.852 -2.801 -4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.241 -4.100 -5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.336 -2.408 -2.248 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.355 -5.235 -2.905 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.629 -3.226 -1.519 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.665 -6.312 -5.609 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.678 -7.619 -6.283 1.00 0.00 C ATOM 1168 C ALA A 82 -3.597 -8.580 -5.765 1.00 0.00 C ATOM 1169 O ALA A 82 -3.719 -9.796 -5.936 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.524 -7.426 -7.784 1.00 0.00 C ATOM 0 H ALA A 82 -4.339 -5.549 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.640 -8.080 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.534 -8.397 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.348 -6.819 -8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.579 -6.923 -7.991 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.542 -8.030 -5.141 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.433 -8.836 -4.619 1.00 0.00 C ATOM 1178 C ALA A 83 -1.747 -9.366 -3.226 1.00 0.00 C ATOM 1179 O ALA A 83 -1.339 -10.472 -2.859 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.152 -8.015 -4.598 1.00 0.00 C ATOM 0 H ALA A 83 -2.437 -7.027 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.294 -9.692 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.664 -8.624 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.089 -7.690 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.290 -7.142 -3.960 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.479 -8.553 -2.465 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.874 -8.889 -1.103 1.00 0.00 C ATOM 1188 C PHE A 84 -4.303 -9.447 -1.036 1.00 0.00 C ATOM 1189 O PHE A 84 -4.781 -9.811 0.046 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.752 -7.644 -0.227 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.339 -7.294 0.149 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.763 -7.820 1.295 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.588 -6.440 -0.641 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.535 -7.499 1.646 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.711 -6.116 -0.296 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.272 -6.646 0.848 1.00 0.00 C ATOM 0 H PHE A 84 -2.814 -7.642 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.209 -9.672 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.197 -6.799 -0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.332 -7.795 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.335 -8.489 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.022 -6.022 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.972 -7.914 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.286 -5.449 -0.921 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.287 -6.394 1.119 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.976 -9.525 -2.198 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.352 -10.038 -2.283 1.00 0.00 C ATOM 1208 C ILE A 85 -6.465 -11.578 -2.031 1.00 0.00 C ATOM 1209 O ILE A 85 -7.492 -12.010 -1.502 1.00 0.00 O ATOM 1210 CB ILE A 85 -7.043 -9.606 -3.630 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.576 -9.737 -3.543 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.520 -10.382 -4.841 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.271 -8.544 -2.911 1.00 0.00 C ATOM 0 H ILE A 85 -4.585 -9.237 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.899 -9.573 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.784 -8.557 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.974 -9.884 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.820 -10.631 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.033 -10.041 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.449 -10.212 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.706 -11.447 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.347 -8.719 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.905 -8.407 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.061 -7.649 -3.496 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.443 -12.441 -2.391 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.531 -13.906 -2.155 1.00 0.00 C ATOM 1227 C PRO A 86 -5.706 -14.286 -0.677 1.00 0.00 C ATOM 1228 O PRO A 86 -6.222 -15.364 -0.371 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.193 -14.448 -2.675 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.705 -13.414 -3.625 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.156 -12.101 -3.056 1.00 0.00 C ATOM 0 HA PRO A 86 -6.408 -14.319 -2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.485 -14.601 -1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.322 -15.410 -3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.620 -13.449 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.117 -13.572 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.431 -11.699 -2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.291 -11.350 -3.835 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.271 -13.394 0.229 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.369 -13.632 1.680 1.00 0.00 C ATOM 1241 C PHE A 87 -6.784 -13.363 2.210 1.00 0.00 C ATOM 1242 O PHE A 87 -7.223 -14.005 3.168 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.367 -12.755 2.453 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.942 -12.843 1.962 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -2.171 -13.972 2.207 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.376 -11.791 1.255 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.869 -14.049 1.754 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -1.073 -11.866 0.802 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.319 -12.995 1.051 1.00 0.00 C ATOM 0 H PHE A 87 -4.847 -12.500 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.131 -14.684 1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.693 -11.717 2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.393 -13.039 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.595 -14.799 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.960 -10.905 1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.281 -14.933 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.644 -11.041 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.700 -13.054 0.697 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.484 -12.413 1.574 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.835 -12.062 1.987 1.00 0.00 C ATOM 1261 C GLY A 88 -9.337 -10.789 1.332 1.00 0.00 C ATOM 1262 O GLY A 88 -8.759 -10.320 0.347 1.00 0.00 O ATOM 0 H GLY A 88 -7.133 -11.881 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.510 -12.882 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.860 -11.942 3.070 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.423 -10.235 1.888 1.00 0.00 N ATOM 1267 CA ASP A 89 -11.034 -9.003 1.376 1.00 0.00 C ATOM 1268 C ASP A 89 -10.313 -7.758 1.895 1.00 0.00 C ATOM 1269 O ASP A 89 -9.981 -7.672 3.081 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.518 -8.938 1.768 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.370 -10.000 1.086 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.106 -10.321 -0.094 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.306 -10.512 1.737 1.00 0.00 O ATOM 0 H ASP A 89 -10.900 -10.626 2.701 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.944 -9.022 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.606 -9.051 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.910 -7.952 1.517 1.00 0.00 H new ATOM 1278 N ILE A 90 -10.079 -6.803 0.990 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.404 -5.547 1.329 1.00 0.00 C ATOM 1280 C ILE A 90 -10.366 -4.376 1.120 1.00 0.00 C ATOM 1281 O ILE A 90 -11.150 -4.374 0.165 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.107 -5.329 0.485 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.200 -6.566 0.554 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.332 -4.097 0.967 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.556 -6.919 -0.770 1.00 0.00 C ATOM 0 H ILE A 90 -10.350 -6.877 0.009 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.105 -5.602 2.376 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.413 -5.166 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.419 -6.393 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.786 -7.417 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.435 -3.971 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.961 -3.212 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.049 -4.231 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.930 -7.802 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.331 -7.125 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.943 -6.085 -1.110 1.00 0.00 H new ATOM 1297 N THR A 91 -10.297 -3.391 2.020 1.00 0.00 N ATOM 1298 CA THR A 91 -11.164 -2.213 1.950 1.00 0.00 C ATOM 1299 C THR A 91 -10.551 -1.095 1.098 1.00 0.00 C ATOM 1300 O THR A 91 -11.107 -0.742 0.054 1.00 0.00 O ATOM 1301 CB THR A 91 -11.505 -1.671 3.359 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.344 -1.700 4.197 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.619 -2.486 3.999 1.00 0.00 C ATOM 0 H THR A 91 -9.648 -3.387 2.807 1.00 0.00 H new ATOM 0 HA THR A 91 -12.085 -2.541 1.469 1.00 0.00 H new ATOM 0 HB THR A 91 -11.845 -0.641 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.620 -1.747 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.840 -2.086 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.513 -2.432 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.303 -3.525 4.091 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.405 -0.539 1.542 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.733 0.552 0.813 1.00 0.00 C ATOM 1313 C ASP A 92 -7.212 0.528 1.002 1.00 0.00 C ATOM 1314 O ASP A 92 -6.701 -0.035 1.977 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.270 1.923 1.273 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.708 2.185 0.849 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.055 1.887 -0.316 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.486 2.691 1.684 1.00 0.00 O ATOM 0 H ASP A 92 -8.929 -0.827 2.397 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.950 0.398 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.203 1.985 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.632 2.709 0.869 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.509 1.148 0.041 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.047 1.271 0.066 1.00 0.00 C ATOM 1325 C ILE A 93 -4.698 2.764 0.158 1.00 0.00 C ATOM 1326 O ILE A 93 -5.112 3.547 -0.702 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.375 0.644 -1.212 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.857 -0.810 -1.505 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.844 0.673 -1.117 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.948 -1.741 -0.300 1.00 0.00 C ATOM 0 H ILE A 93 -6.942 1.578 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.664 0.723 0.927 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.693 1.270 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.840 -0.758 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.180 -1.256 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.415 0.232 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.505 1.704 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.523 0.103 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.293 -2.723 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.965 -1.836 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.651 -1.330 0.425 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.942 3.148 1.194 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.568 4.554 1.388 1.00 0.00 C ATOM 1344 C GLN A 94 -2.059 4.765 1.397 1.00 0.00 C ATOM 1345 O GLN A 94 -1.321 4.044 2.077 1.00 0.00 O ATOM 1346 CB GLN A 94 -4.163 5.098 2.691 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.672 5.291 2.649 1.00 0.00 C ATOM 1348 CD GLN A 94 -6.212 5.933 3.912 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.187 5.334 4.988 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.700 7.161 3.787 1.00 0.00 N ATOM 0 H GLN A 94 -3.580 2.512 1.904 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.976 5.100 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.917 4.415 3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.691 6.053 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.932 5.911 1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.154 4.325 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.701 7.619 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.074 7.646 4.602 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.619 5.766 0.626 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.202 6.135 0.529 1.00 0.00 C ATOM 1361 C ILE A 95 -0.046 7.647 0.789 1.00 0.00 C ATOM 1362 O ILE A 95 -0.599 8.450 0.030 1.00 0.00 O ATOM 1363 CB ILE A 95 0.421 5.785 -0.861 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.116 4.455 -1.401 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.944 5.721 -0.779 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.243 4.619 -2.390 1.00 0.00 C ATOM 0 H ILE A 95 -2.234 6.343 0.052 1.00 0.00 H new ATOM 0 HA ILE A 95 0.333 5.555 1.281 1.00 0.00 H new ATOM 0 HB ILE A 95 0.132 6.581 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.699 3.910 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.462 3.846 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.351 5.476 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.332 6.687 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.238 4.954 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.574 3.638 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.075 5.136 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.896 5.201 -3.244 1.00 0.00 H new ATOM 1378 N PRO A 96 0.699 8.076 1.861 1.00 0.00 N ATOM 1379 CA PRO A 96 0.893 9.512 2.154 1.00 0.00 C ATOM 1380 C PRO A 96 1.755 10.211 1.091 1.00 0.00 C ATOM 1381 O PRO A 96 2.927 9.865 0.900 1.00 0.00 O ATOM 1382 CB PRO A 96 1.583 9.520 3.527 1.00 0.00 C ATOM 1383 CG PRO A 96 2.223 8.177 3.664 1.00 0.00 C ATOM 1384 CD PRO A 96 1.388 7.215 2.858 1.00 0.00 C ATOM 0 HA PRO A 96 -0.049 10.060 2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.325 10.316 3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.863 9.694 4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.250 8.198 3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.263 7.872 4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.007 6.461 2.372 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.673 6.684 3.487 1.00 0.00 H new ATOM 1392 N LEU A 97 1.154 11.184 0.398 1.00 0.00 N ATOM 1393 CA LEU A 97 1.843 11.922 -0.663 1.00 0.00 C ATOM 1394 C LEU A 97 1.976 13.407 -0.350 1.00 0.00 C ATOM 1395 O LEU A 97 1.110 13.998 0.300 1.00 0.00 O ATOM 1396 CB LEU A 97 1.123 11.739 -2.005 1.00 0.00 C ATOM 1397 CG LEU A 97 0.997 10.295 -2.526 1.00 0.00 C ATOM 1398 CD1 LEU A 97 0.351 10.297 -3.890 1.00 0.00 C ATOM 1399 CD2 LEU A 97 2.350 9.604 -2.622 1.00 0.00 C ATOM 0 H LEU A 97 0.190 11.478 0.554 1.00 0.00 H new ATOM 0 HA LEU A 97 2.849 11.507 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.121 12.158 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.648 12.328 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 97 0.382 9.745 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.265 9.273 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.641 10.743 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.963 10.877 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.214 8.588 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.994 10.158 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.812 9.571 -1.635 1.00 0.00 H new ATOM 1411 N ASP A 98 3.083 13.993 -0.826 1.00 0.00 N ATOM 1412 CA ASP A 98 3.373 15.419 -0.643 1.00 0.00 C ATOM 1413 C ASP A 98 2.727 16.244 -1.755 1.00 0.00 C ATOM 1414 O ASP A 98 2.655 15.797 -2.895 1.00 0.00 O ATOM 1415 CB ASP A 98 4.890 15.661 -0.635 1.00 0.00 C ATOM 1416 CG ASP A 98 5.594 15.058 0.574 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.980 14.994 1.663 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.766 14.649 0.430 1.00 0.00 O ATOM 0 H ASP A 98 3.801 13.491 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 98 2.958 15.730 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.322 15.242 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.079 16.734 -0.658 1.00 0.00 H new ATOM 1423 N TYR A 99 2.246 17.442 -1.411 1.00 0.00 N ATOM 1424 CA TYR A 99 1.599 18.347 -2.380 1.00 0.00 C ATOM 1425 C TYR A 99 2.562 18.840 -3.472 1.00 0.00 C ATOM 1426 O TYR A 99 2.154 19.078 -4.611 1.00 0.00 O ATOM 1427 CB TYR A 99 0.994 19.555 -1.655 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.178 19.213 -0.758 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.421 18.920 -1.300 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.042 19.191 0.624 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.500 18.613 -0.492 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.116 18.884 1.440 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.341 18.595 0.878 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.412 18.289 1.686 1.00 0.00 O ATOM 0 H TYR A 99 2.291 17.815 -0.463 1.00 0.00 H new ATOM 0 HA TYR A 99 0.816 17.769 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.770 20.032 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.670 20.285 -2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.548 18.932 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.916 19.417 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.461 18.389 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.995 18.871 2.513 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.133 18.319 2.625 1.00 0.00 H new ATOM 1444 N GLU A 100 3.838 18.985 -3.098 1.00 0.00 N ATOM 1445 CA GLU A 100 4.893 19.482 -3.998 1.00 0.00 C ATOM 1446 C GLU A 100 5.269 18.488 -5.120 1.00 0.00 C ATOM 1447 O GLU A 100 5.410 18.894 -6.278 1.00 0.00 O ATOM 1448 CB GLU A 100 6.135 19.835 -3.159 1.00 0.00 C ATOM 1449 CG GLU A 100 7.174 20.690 -3.885 1.00 0.00 C ATOM 1450 CD GLU A 100 8.427 20.913 -3.060 1.00 0.00 C ATOM 1451 OE1 GLU A 100 8.347 21.628 -2.039 1.00 0.00 O ATOM 1452 OE2 GLU A 100 9.488 20.371 -3.435 1.00 0.00 O ATOM 0 H GLU A 100 4.172 18.761 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 100 4.501 20.365 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.812 20.363 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.610 18.910 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.443 20.207 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.733 21.655 -4.137 1.00 0.00 H new ATOM 1459 N THR A 101 5.428 17.203 -4.777 1.00 0.00 N ATOM 1460 CA THR A 101 5.825 16.181 -5.761 1.00 0.00 C ATOM 1461 C THR A 101 4.728 15.155 -6.044 1.00 0.00 C ATOM 1462 O THR A 101 4.694 14.569 -7.129 1.00 0.00 O ATOM 1463 CB THR A 101 7.098 15.433 -5.303 1.00 0.00 C ATOM 1464 OG1 THR A 101 6.967 15.025 -3.936 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.335 16.307 -5.463 1.00 0.00 C ATOM 0 H THR A 101 5.289 16.845 -3.832 1.00 0.00 H new ATOM 0 HA THR A 101 6.019 16.728 -6.684 1.00 0.00 H new ATOM 0 HB THR A 101 7.215 14.552 -5.933 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.778 14.551 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.215 15.755 -5.133 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.452 16.584 -6.511 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.224 17.208 -4.860 1.00 0.00 H new ATOM 1473 N GLU A 102 3.829 14.939 -5.064 1.00 0.00 N ATOM 1474 CA GLU A 102 2.708 13.966 -5.173 1.00 0.00 C ATOM 1475 C GLU A 102 3.202 12.538 -5.492 1.00 0.00 C ATOM 1476 O GLU A 102 2.440 11.699 -5.990 1.00 0.00 O ATOM 1477 CB GLU A 102 1.665 14.415 -6.216 1.00 0.00 C ATOM 1478 CG GLU A 102 0.893 15.667 -5.822 1.00 0.00 C ATOM 1479 CD GLU A 102 -0.181 16.031 -6.829 1.00 0.00 C ATOM 1480 OE1 GLU A 102 0.169 16.554 -7.907 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -1.372 15.791 -6.539 1.00 0.00 O ATOM 0 H GLU A 102 3.854 15.431 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 102 2.229 13.941 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.170 14.596 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.958 13.602 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.433 15.514 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.588 16.501 -5.720 1.00 0.00 H new ATOM 1488 N LYS A 103 4.475 12.274 -5.179 1.00 0.00 N ATOM 1489 CA LYS A 103 5.083 10.966 -5.435 1.00 0.00 C ATOM 1490 C LYS A 103 5.299 10.216 -4.127 1.00 0.00 C ATOM 1491 O LYS A 103 5.556 10.832 -3.088 1.00 0.00 O ATOM 1492 CB LYS A 103 6.416 11.111 -6.185 1.00 0.00 C ATOM 1493 CG LYS A 103 6.319 11.904 -7.487 1.00 0.00 C ATOM 1494 CD LYS A 103 7.131 11.251 -8.595 1.00 0.00 C ATOM 1495 CE LYS A 103 7.240 12.154 -9.814 1.00 0.00 C ATOM 1496 NZ LYS A 103 7.880 11.456 -10.964 1.00 0.00 N ATOM 0 H LYS A 103 5.104 12.951 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 103 4.398 10.396 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.138 11.598 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.806 10.117 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.276 11.978 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.676 12.921 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.129 11.015 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.666 10.308 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.246 12.495 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.820 13.041 -9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.936 12.104 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.838 11.152 -10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.313 10.624 -11.224 1.00 0.00 H new ATOM 1510 N HIS A 104 5.195 8.882 -4.189 1.00 0.00 N ATOM 1511 CA HIS A 104 5.360 8.037 -3.005 1.00 0.00 C ATOM 1512 C HIS A 104 6.830 7.677 -2.768 1.00 0.00 C ATOM 1513 O HIS A 104 7.627 7.625 -3.710 1.00 0.00 O ATOM 1514 CB HIS A 104 4.476 6.775 -3.118 1.00 0.00 C ATOM 1515 CG HIS A 104 4.976 5.712 -4.059 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.410 4.473 -3.630 1.00 0.00 N ATOM 1517 CD2 HIS A 104 5.085 5.698 -5.410 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.763 3.745 -4.676 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.575 4.465 -5.766 1.00 0.00 N ATOM 0 H HIS A 104 4.997 8.367 -5.047 1.00 0.00 H new ATOM 0 HA HIS A 104 5.031 8.605 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.372 6.336 -2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.479 7.079 -3.438 1.00 0.00 H new ATOM 0 HD1 HIS A 104 5.452 4.167 -2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.833 6.506 -6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.141 2.734 -4.644 1.00 0.00 H new ATOM 1528 N ARG A 105 7.167 7.434 -1.499 1.00 0.00 N ATOM 1529 CA ARG A 105 8.535 7.078 -1.102 1.00 0.00 C ATOM 1530 C ARG A 105 8.765 5.560 -1.147 1.00 0.00 C ATOM 1531 O ARG A 105 9.858 5.082 -0.815 1.00 0.00 O ATOM 1532 CB ARG A 105 8.837 7.617 0.303 1.00 0.00 C ATOM 1533 CG ARG A 105 8.913 9.136 0.386 1.00 0.00 C ATOM 1534 CD ARG A 105 9.319 9.597 1.777 1.00 0.00 C ATOM 1535 NE ARG A 105 9.227 11.054 1.924 1.00 0.00 N ATOM 1536 CZ ARG A 105 10.275 11.874 2.099 1.00 0.00 C ATOM 1537 NH1 ARG A 105 11.519 11.403 2.148 1.00 0.00 N ATOM 1538 NH2 ARG A 105 10.071 13.178 2.223 1.00 0.00 N ATOM 0 H ARG A 105 6.507 7.477 -0.722 1.00 0.00 H new ATOM 0 HA ARG A 105 9.216 7.537 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.066 7.265 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.783 7.198 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.631 9.506 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.945 9.565 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.680 9.117 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.341 9.276 1.981 1.00 0.00 H new ATOM 0 HE ARG A 105 8.298 11.475 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 105 11.689 10.402 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.302 12.043 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.123 13.552 2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 105 10.862 13.808 2.356 1.00 0.00 H new ATOM 1552 N GLY A 106 7.738 4.811 -1.574 1.00 0.00 N ATOM 1553 CA GLY A 106 7.847 3.363 -1.665 1.00 0.00 C ATOM 1554 C GLY A 106 7.229 2.617 -0.492 1.00 0.00 C ATOM 1555 O GLY A 106 7.611 1.474 -0.231 1.00 0.00 O ATOM 0 H GLY A 106 6.833 5.188 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.368 3.031 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.900 3.093 -1.739 1.00 0.00 H new ATOM 1559 N PHE A 107 6.300 3.266 0.237 1.00 0.00 N ATOM 1560 CA PHE A 107 5.613 2.619 1.364 1.00 0.00 C ATOM 1561 C PHE A 107 4.147 3.049 1.448 1.00 0.00 C ATOM 1562 O PHE A 107 3.795 4.172 1.078 1.00 0.00 O ATOM 1563 CB PHE A 107 6.339 2.860 2.711 1.00 0.00 C ATOM 1564 CG PHE A 107 6.496 4.304 3.130 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.474 4.963 3.796 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.674 4.989 2.877 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.621 6.276 4.199 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.827 6.302 3.278 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.800 6.946 3.939 1.00 0.00 C ATOM 0 H PHE A 107 6.012 4.229 0.065 1.00 0.00 H new ATOM 0 HA PHE A 107 5.640 1.547 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.794 2.332 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.330 2.409 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.550 4.443 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.481 4.491 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.816 6.777 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.750 6.825 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.919 7.973 4.252 1.00 0.00 H new ATOM 1579 N ALA A 108 3.306 2.131 1.948 1.00 0.00 N ATOM 1580 CA ALA A 108 1.860 2.354 2.100 1.00 0.00 C ATOM 1581 C ALA A 108 1.286 1.451 3.199 1.00 0.00 C ATOM 1582 O ALA A 108 1.996 0.598 3.738 1.00 0.00 O ATOM 1583 CB ALA A 108 1.140 2.083 0.777 1.00 0.00 C ATOM 0 H ALA A 108 3.611 1.209 2.260 1.00 0.00 H new ATOM 0 HA ALA A 108 1.703 3.394 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.071 2.252 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.525 2.754 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.311 1.050 0.475 1.00 0.00 H new ATOM 1589 N PHE A 109 0.012 1.671 3.551 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.676 0.849 4.550 1.00 0.00 C ATOM 1591 C PHE A 109 -1.891 0.187 3.908 1.00 0.00 C ATOM 1592 O PHE A 109 -2.498 0.755 2.993 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.106 1.679 5.768 1.00 0.00 C ATOM 1594 CG PHE A 109 0.040 2.297 6.524 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.567 3.522 6.139 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.589 1.653 7.621 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.617 4.090 6.835 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.639 2.216 8.321 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.154 3.437 7.927 1.00 0.00 C ATOM 0 H PHE A 109 -0.563 2.415 3.156 1.00 0.00 H new ATOM 0 HA PHE A 109 0.018 0.086 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.778 2.471 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.674 1.042 6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.152 4.037 5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.191 0.699 7.933 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.017 5.044 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.057 1.703 9.175 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.975 3.879 8.472 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.244 -1.005 4.389 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.381 -1.748 3.843 1.00 0.00 C ATOM 1611 C VAL A 110 -4.414 -2.065 4.935 1.00 0.00 C ATOM 1612 O VAL A 110 -4.056 -2.482 6.041 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.901 -3.048 3.103 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.186 -4.028 4.037 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -4.053 -3.747 2.379 1.00 0.00 C ATOM 0 H VAL A 110 -1.761 -1.476 5.154 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.874 -1.115 3.106 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.176 -2.718 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.876 -4.908 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.309 -3.546 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.864 -4.329 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.680 -4.641 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.820 -4.028 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.482 -3.071 1.639 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.691 -1.855 4.598 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.797 -2.118 5.516 1.00 0.00 C ATOM 1627 C GLU A 111 -7.594 -3.333 5.055 1.00 0.00 C ATOM 1628 O GLU A 111 -7.974 -3.424 3.883 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.714 -0.893 5.603 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.790 -0.261 6.988 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.811 -0.937 7.888 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -10.023 -0.794 7.622 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -8.396 -1.609 8.854 1.00 0.00 O ATOM 0 H GLU A 111 -5.983 -1.500 3.687 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.385 -2.324 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.366 -0.143 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.718 -1.183 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.808 -0.310 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.043 0.794 6.887 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.843 -4.258 5.984 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.595 -5.476 5.691 1.00 0.00 C ATOM 1642 C PHE A 112 -9.941 -5.481 6.403 1.00 0.00 C ATOM 1643 O PHE A 112 -10.051 -5.022 7.543 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.793 -6.713 6.097 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.668 -7.057 5.159 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.398 -6.533 5.345 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.884 -7.910 4.087 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.369 -6.856 4.485 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.855 -8.234 3.223 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.597 -7.706 3.424 1.00 0.00 C ATOM 0 H PHE A 112 -7.531 -4.184 6.952 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.774 -5.501 4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.383 -6.555 7.095 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.470 -7.565 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.212 -5.864 6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.868 -8.326 3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.384 -6.443 4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.036 -8.900 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.791 -7.958 2.751 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.967 -6.008 5.712 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.330 -6.105 6.259 1.00 0.00 C ATOM 1662 C GLU A 113 -12.374 -7.097 7.438 1.00 0.00 C ATOM 1663 O GLU A 113 -13.082 -6.872 8.424 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.304 -6.535 5.147 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.778 -6.365 5.491 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.697 -6.916 4.418 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.749 -6.325 3.318 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.366 -7.939 4.677 1.00 0.00 O ATOM 0 H GLU A 113 -10.875 -6.376 4.765 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.632 -5.127 6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.086 -5.958 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.120 -7.582 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.987 -6.868 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.993 -5.307 5.639 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.606 -8.187 7.310 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.516 -9.214 8.347 1.00 0.00 C ATOM 1677 C LEU A 114 -10.212 -9.085 9.115 1.00 0.00 C ATOM 1678 O LEU A 114 -9.152 -8.880 8.520 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.598 -10.621 7.732 1.00 0.00 C ATOM 1680 CG LEU A 114 -13.002 -11.112 7.355 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.462 -10.506 6.036 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -13.019 -12.631 7.279 1.00 0.00 C ATOM 0 H LEU A 114 -11.034 -8.378 6.488 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.355 -9.070 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.976 -10.641 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.165 -11.330 8.438 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.697 -10.788 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.460 -10.873 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.486 -9.420 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.770 -10.791 5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -14.019 -12.971 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.308 -12.966 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.742 -13.047 8.248 1.00 0.00 H new ATOM 1694 N ALA A 115 -10.299 -9.196 10.442 1.00 0.00 N ATOM 1695 CA ALA A 115 -9.119 -9.135 11.313 1.00 0.00 C ATOM 1696 C ALA A 115 -8.273 -10.409 11.159 1.00 0.00 C ATOM 1697 O ALA A 115 -7.065 -10.413 11.420 1.00 0.00 O ATOM 1698 CB ALA A 115 -9.543 -8.954 12.762 1.00 0.00 C ATOM 0 H ALA A 115 -11.179 -9.329 10.941 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.513 -8.279 11.017 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.658 -8.910 13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.108 -8.027 12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.167 -9.794 13.066 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.951 -11.479 10.713 1.00 0.00 N ATOM 1705 CA GLU A 116 -8.358 -12.802 10.495 1.00 0.00 C ATOM 1706 C GLU A 116 -7.394 -12.820 9.289 1.00 0.00 C ATOM 1707 O GLU A 116 -6.259 -13.295 9.407 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.510 -13.811 10.299 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.097 -15.270 10.132 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.751 -15.947 11.446 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -9.664 -16.522 12.076 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -7.568 -15.904 11.844 1.00 0.00 O ATOM 0 H GLU A 116 -9.946 -11.445 10.491 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.757 -13.073 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.180 -13.739 11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.083 -13.513 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.907 -15.818 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.236 -15.323 9.465 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.855 -12.291 8.141 1.00 0.00 N ATOM 1720 CA ASP A 117 -7.048 -12.260 6.908 1.00 0.00 C ATOM 1721 C ASP A 117 -5.843 -11.307 7.010 1.00 0.00 C ATOM 1722 O ASP A 117 -4.795 -11.566 6.413 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.928 -11.950 5.673 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.701 -10.634 5.739 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.178 -9.655 6.304 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.835 -10.592 5.218 1.00 0.00 O ATOM 0 H ASP A 117 -8.783 -11.879 8.042 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.631 -13.258 6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.292 -11.935 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.640 -12.765 5.540 1.00 0.00 H new ATOM 1731 N ALA A 118 -6.005 -10.208 7.770 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.932 -9.220 7.972 1.00 0.00 C ATOM 1733 C ALA A 118 -3.774 -9.817 8.775 1.00 0.00 C ATOM 1734 O ALA A 118 -2.600 -9.643 8.419 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.481 -7.990 8.673 1.00 0.00 C ATOM 0 H ALA A 118 -6.873 -9.982 8.256 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.548 -8.931 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.680 -7.266 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.267 -7.544 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.891 -8.276 9.642 1.00 0.00 H new ATOM 1741 N ALA A 119 -4.119 -10.540 9.860 1.00 0.00 N ATOM 1742 CA ALA A 119 -3.126 -11.213 10.706 1.00 0.00 C ATOM 1743 C ALA A 119 -2.396 -12.285 9.896 1.00 0.00 C ATOM 1744 O ALA A 119 -1.220 -12.579 10.134 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.796 -11.829 11.926 1.00 0.00 C ATOM 0 H ALA A 119 -5.083 -10.670 10.167 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.400 -10.478 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.045 -12.324 12.542 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.284 -11.046 12.507 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.539 -12.558 11.604 1.00 0.00 H new ATOM 1751 N ALA A 120 -3.129 -12.843 8.918 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.604 -13.863 8.004 1.00 0.00 C ATOM 1753 C ALA A 120 -1.588 -13.250 7.039 1.00 0.00 C ATOM 1754 O ALA A 120 -0.624 -13.906 6.639 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.741 -14.511 7.226 1.00 0.00 C ATOM 0 H ALA A 120 -4.103 -12.597 8.741 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.102 -14.628 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.337 -15.266 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.436 -14.981 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.265 -13.751 6.647 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.820 -11.974 6.683 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.938 -11.228 5.780 1.00 0.00 C ATOM 1763 C ALA A 121 0.437 -10.988 6.414 1.00 0.00 C ATOM 1764 O ALA A 121 1.460 -11.058 5.727 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.588 -9.908 5.382 1.00 0.00 C ATOM 0 H ALA A 121 -2.621 -11.437 7.014 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.785 -11.828 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.924 -9.363 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.533 -10.106 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.773 -9.310 6.274 1.00 0.00 H new ATOM 1771 N ILE A 122 0.447 -10.702 7.732 1.00 0.00 N ATOM 1772 CA ILE A 122 1.703 -10.473 8.475 1.00 0.00 C ATOM 1773 C ILE A 122 2.507 -11.775 8.652 1.00 0.00 C ATOM 1774 O ILE A 122 3.740 -11.752 8.601 1.00 0.00 O ATOM 1775 CB ILE A 122 1.463 -9.783 9.860 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.865 -8.377 9.657 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.773 -9.679 10.663 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.062 -7.853 10.835 1.00 0.00 C ATOM 0 H ILE A 122 -0.396 -10.624 8.301 1.00 0.00 H new ATOM 0 HA ILE A 122 2.293 -9.787 7.867 1.00 0.00 H new ATOM 0 HB ILE A 122 0.761 -10.397 10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.676 -7.679 9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.223 -8.394 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.576 -9.196 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.174 -10.678 10.837 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.498 -9.090 10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.319 -6.859 10.602 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.773 -8.525 11.034 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.702 -7.799 11.716 1.00 0.00 H new ATOM 1790 N ASP A 123 1.805 -12.895 8.859 1.00 0.00 N ATOM 1791 CA ASP A 123 2.458 -14.198 9.046 1.00 0.00 C ATOM 1792 C ASP A 123 2.834 -14.881 7.717 1.00 0.00 C ATOM 1793 O ASP A 123 3.638 -15.816 7.711 1.00 0.00 O ATOM 1794 CB ASP A 123 1.579 -15.129 9.910 1.00 0.00 C ATOM 1795 CG ASP A 123 0.199 -15.421 9.325 1.00 0.00 C ATOM 1796 OD1 ASP A 123 0.125 -15.901 8.174 1.00 0.00 O ATOM 1797 OD2 ASP A 123 -0.805 -15.177 10.026 1.00 0.00 O ATOM 0 H ASP A 123 0.786 -12.927 8.901 1.00 0.00 H new ATOM 0 HA ASP A 123 3.394 -14.004 9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.105 -16.073 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.454 -14.679 10.895 1.00 0.00 H new ATOM 1802 N ASN A 124 2.251 -14.409 6.605 1.00 0.00 N ATOM 1803 CA ASN A 124 2.508 -15.004 5.291 1.00 0.00 C ATOM 1804 C ASN A 124 3.556 -14.249 4.462 1.00 0.00 C ATOM 1805 O ASN A 124 4.438 -14.886 3.877 1.00 0.00 O ATOM 1806 CB ASN A 124 1.206 -15.115 4.493 1.00 0.00 C ATOM 1807 CG ASN A 124 0.415 -16.367 4.833 1.00 0.00 C ATOM 1808 OD1 ASN A 124 0.944 -17.480 4.807 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.864 -16.192 5.146 1.00 0.00 N ATOM 0 H ASN A 124 1.603 -13.622 6.592 1.00 0.00 H new ATOM 0 HA ASN A 124 2.919 -15.994 5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.590 -14.237 4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.436 -15.114 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.447 -16.996 5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.263 -15.253 5.156 1.00 0.00 H new ATOM 1816 N MET A 125 3.472 -12.908 4.405 1.00 0.00 N ATOM 1817 CA MET A 125 4.413 -12.123 3.595 1.00 0.00 C ATOM 1818 C MET A 125 5.027 -10.955 4.380 1.00 0.00 C ATOM 1819 O MET A 125 5.014 -9.805 3.924 1.00 0.00 O ATOM 1820 CB MET A 125 3.709 -11.619 2.320 1.00 0.00 C ATOM 1821 CG MET A 125 3.360 -12.726 1.331 1.00 0.00 C ATOM 1822 SD MET A 125 2.582 -12.109 -0.178 1.00 0.00 S ATOM 1823 CE MET A 125 4.009 -11.579 -1.124 1.00 0.00 C ATOM 0 H MET A 125 2.774 -12.355 4.902 1.00 0.00 H new ATOM 0 HA MET A 125 5.239 -12.778 3.316 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.795 -11.096 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.352 -10.891 1.825 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.267 -13.270 1.069 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.690 -13.438 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.780 -11.632 -2.188 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.261 -10.553 -0.858 1.00 0.00 H new ATOM 0 HE3 MET A 125 4.855 -12.230 -0.902 1.00 0.00 H new ATOM 1833 N ASN A 126 5.582 -11.259 5.564 1.00 0.00 N ATOM 1834 CA ASN A 126 6.234 -10.242 6.415 1.00 0.00 C ATOM 1835 C ASN A 126 7.517 -9.696 5.760 1.00 0.00 C ATOM 1836 O ASN A 126 7.835 -8.512 5.890 1.00 0.00 O ATOM 1837 CB ASN A 126 6.542 -10.810 7.816 1.00 0.00 C ATOM 1838 CG ASN A 126 7.309 -12.128 7.794 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.441 -12.193 7.317 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.689 -13.183 8.311 1.00 0.00 N ATOM 0 H ASN A 126 5.594 -12.200 5.957 1.00 0.00 H new ATOM 0 HA ASN A 126 5.535 -9.413 6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.119 -10.075 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.604 -10.956 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.152 -14.092 8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.750 -13.084 8.696 1.00 0.00 H new ATOM 1847 N GLU A 127 8.237 -10.586 5.066 1.00 0.00 N ATOM 1848 CA GLU A 127 9.475 -10.241 4.357 1.00 0.00 C ATOM 1849 C GLU A 127 9.537 -11.010 3.035 1.00 0.00 C ATOM 1850 O GLU A 127 10.201 -12.047 2.915 1.00 0.00 O ATOM 1851 CB GLU A 127 10.710 -10.529 5.224 1.00 0.00 C ATOM 1852 CG GLU A 127 10.882 -9.546 6.368 1.00 0.00 C ATOM 1853 CD GLU A 127 12.042 -9.901 7.277 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.170 -9.435 7.010 1.00 0.00 O ATOM 1855 OE2 GLU A 127 11.823 -10.645 8.255 1.00 0.00 O ATOM 0 H GLU A 127 7.976 -11.568 4.980 1.00 0.00 H new ATOM 0 HA GLU A 127 9.474 -9.172 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.634 -11.538 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.600 -10.504 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.037 -8.546 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.964 -9.513 6.954 1.00 0.00 H new ATOM 1862 N SER A 128 8.814 -10.480 2.052 1.00 0.00 N ATOM 1863 CA SER A 128 8.728 -11.079 0.718 1.00 0.00 C ATOM 1864 C SER A 128 9.088 -10.067 -0.373 1.00 0.00 C ATOM 1865 O SER A 128 9.163 -8.866 -0.110 1.00 0.00 O ATOM 1866 CB SER A 128 7.315 -11.632 0.493 1.00 0.00 C ATOM 1867 OG SER A 128 6.337 -10.618 0.654 1.00 0.00 O ATOM 0 H SER A 128 8.270 -9.623 2.155 1.00 0.00 H new ATOM 0 HA SER A 128 9.449 -11.894 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.242 -12.055 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.122 -12.442 1.196 1.00 0.00 H new ATOM 0 HG SER A 128 6.400 -9.982 -0.089 1.00 0.00 H new ATOM 1873 N GLU A 129 9.334 -10.567 -1.592 1.00 0.00 N ATOM 1874 CA GLU A 129 9.681 -9.715 -2.725 1.00 0.00 C ATOM 1875 C GLU A 129 8.423 -9.320 -3.513 1.00 0.00 C ATOM 1876 O GLU A 129 7.693 -10.181 -4.015 1.00 0.00 O ATOM 1877 CB GLU A 129 10.679 -10.449 -3.631 1.00 0.00 C ATOM 1878 CG GLU A 129 11.519 -9.527 -4.500 1.00 0.00 C ATOM 1879 CD GLU A 129 12.426 -10.283 -5.453 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.389 -10.921 -4.978 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.173 -10.235 -6.675 1.00 0.00 O ATOM 0 H GLU A 129 9.297 -11.562 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 129 10.143 -8.800 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.343 -11.051 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.132 -11.138 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.860 -8.875 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.125 -8.885 -3.861 1.00 0.00 H new ATOM 1888 N LEU A 130 8.190 -8.009 -3.599 1.00 0.00 N ATOM 1889 CA LEU A 130 7.045 -7.456 -4.319 1.00 0.00 C ATOM 1890 C LEU A 130 7.518 -6.431 -5.350 1.00 0.00 C ATOM 1891 O LEU A 130 8.276 -5.515 -5.024 1.00 0.00 O ATOM 1892 CB LEU A 130 6.054 -6.818 -3.331 1.00 0.00 C ATOM 1893 CG LEU A 130 4.677 -6.437 -3.900 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.720 -7.623 -3.855 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.097 -5.256 -3.136 1.00 0.00 C ATOM 0 H LEU A 130 8.790 -7.303 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 130 6.533 -8.262 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.903 -7.510 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.513 -5.921 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 130 4.808 -6.149 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.754 -7.327 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.128 -8.442 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.593 -7.949 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.122 -4.998 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.986 -5.522 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.767 -4.401 -3.225 1.00 0.00 H new ATOM 1907 N PHE A 131 7.052 -6.602 -6.601 1.00 0.00 N ATOM 1908 CA PHE A 131 7.400 -5.723 -7.745 1.00 0.00 C ATOM 1909 C PHE A 131 8.926 -5.615 -7.976 1.00 0.00 C ATOM 1910 O PHE A 131 9.407 -4.662 -8.606 1.00 0.00 O ATOM 1911 CB PHE A 131 6.758 -4.323 -7.598 1.00 0.00 C ATOM 1912 CG PHE A 131 6.095 -3.852 -8.862 1.00 0.00 C ATOM 1913 CD1 PHE A 131 6.805 -3.127 -9.806 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.763 -4.145 -9.114 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.202 -2.702 -10.974 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.153 -3.721 -10.280 1.00 0.00 C ATOM 1917 CZ PHE A 131 4.873 -2.999 -11.210 1.00 0.00 C ATOM 0 H PHE A 131 6.417 -7.359 -6.854 1.00 0.00 H new ATOM 0 HA PHE A 131 6.982 -6.197 -8.633 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.022 -4.348 -6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.525 -3.605 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 131 7.843 -2.891 -9.626 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.195 -4.711 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 131 6.768 -2.139 -11.701 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.115 -3.954 -10.463 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.398 -2.666 -12.121 1.00 0.00 H new ATOM 1927 N GLY A 132 9.673 -6.610 -7.473 1.00 0.00 N ATOM 1928 CA GLY A 132 11.125 -6.639 -7.639 1.00 0.00 C ATOM 1929 C GLY A 132 11.897 -6.083 -6.450 1.00 0.00 C ATOM 1930 O GLY A 132 13.125 -5.979 -6.509 1.00 0.00 O ATOM 0 H GLY A 132 9.293 -7.400 -6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.440 -7.668 -7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.390 -6.069 -8.529 1.00 0.00 H new ATOM 1934 N ARG A 133 11.182 -5.727 -5.378 1.00 0.00 N ATOM 1935 CA ARG A 133 11.806 -5.176 -4.170 1.00 0.00 C ATOM 1936 C ARG A 133 11.344 -5.931 -2.927 1.00 0.00 C ATOM 1937 O ARG A 133 10.260 -6.511 -2.918 1.00 0.00 O ATOM 1938 CB ARG A 133 11.464 -3.690 -4.015 1.00 0.00 C ATOM 1939 CG ARG A 133 12.046 -2.790 -5.095 1.00 0.00 C ATOM 1940 CD ARG A 133 11.705 -1.330 -4.837 1.00 0.00 C ATOM 1941 NE ARG A 133 12.567 -0.734 -3.808 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.266 0.401 -3.959 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.221 1.094 -5.097 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.014 0.846 -2.960 1.00 0.00 N ATOM 0 H ARG A 133 10.167 -5.811 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 133 12.885 -5.289 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.380 -3.579 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.821 -3.348 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.129 -2.913 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.660 -3.090 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.805 -0.766 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.663 -1.251 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 133 12.639 -1.218 -2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.647 0.763 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.760 1.955 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.056 0.326 -2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.548 1.708 -3.068 1.00 0.00 H new ATOM 1958 N THR A 134 12.175 -5.913 -1.872 1.00 0.00 N ATOM 1959 CA THR A 134 11.846 -6.583 -0.606 1.00 0.00 C ATOM 1960 C THR A 134 10.878 -5.713 0.205 1.00 0.00 C ATOM 1961 O THR A 134 11.108 -4.511 0.369 1.00 0.00 O ATOM 1962 CB THR A 134 13.116 -6.872 0.235 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.215 -7.203 -0.626 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.888 -8.025 1.211 1.00 0.00 C ATOM 0 H THR A 134 13.079 -5.441 -1.872 1.00 0.00 H new ATOM 0 HA THR A 134 11.376 -7.537 -0.845 1.00 0.00 H new ATOM 0 HB THR A 134 13.344 -5.970 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.012 -7.382 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.798 -8.201 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.074 -7.771 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.629 -8.926 0.655 1.00 0.00 H new ATOM 1972 N ILE A 135 9.806 -6.333 0.708 1.00 0.00 N ATOM 1973 CA ILE A 135 8.792 -5.610 1.482 1.00 0.00 C ATOM 1974 C ILE A 135 8.676 -6.136 2.912 1.00 0.00 C ATOM 1975 O ILE A 135 8.976 -7.303 3.182 1.00 0.00 O ATOM 1976 CB ILE A 135 7.386 -5.635 0.797 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.885 -7.077 0.550 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.419 -4.849 -0.511 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.438 -7.305 0.942 1.00 0.00 C ATOM 0 H ILE A 135 9.618 -7.329 0.594 1.00 0.00 H new ATOM 0 HA ILE A 135 9.135 -4.576 1.518 1.00 0.00 H new ATOM 0 HB ILE A 135 6.682 -5.161 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.006 -7.316 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.515 -7.770 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.434 -4.875 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.697 -3.815 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.150 -5.295 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.164 -8.340 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.312 -7.100 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.796 -6.639 0.366 1.00 0.00 H new ATOM 1991 N ARG A 136 8.235 -5.255 3.813 1.00 0.00 N ATOM 1992 CA ARG A 136 8.052 -5.603 5.223 1.00 0.00 C ATOM 1993 C ARG A 136 6.629 -5.272 5.647 1.00 0.00 C ATOM 1994 O ARG A 136 6.129 -4.187 5.330 1.00 0.00 O ATOM 1995 CB ARG A 136 9.022 -4.822 6.126 1.00 0.00 C ATOM 1996 CG ARG A 136 10.486 -4.927 5.729 1.00 0.00 C ATOM 1997 CD ARG A 136 11.401 -4.405 6.825 1.00 0.00 C ATOM 1998 NE ARG A 136 12.799 -4.338 6.384 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.818 -3.904 7.140 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.622 -3.489 8.390 1.00 0.00 N ATOM 2001 NH2 ARG A 136 15.044 -3.886 6.635 1.00 0.00 N ATOM 0 H ARG A 136 7.997 -4.289 3.588 1.00 0.00 H new ATOM 0 HA ARG A 136 8.251 -6.669 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.733 -3.771 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.911 -5.179 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.732 -5.967 5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.657 -4.363 4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.070 -3.413 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.327 -5.052 7.699 1.00 0.00 H new ATOM 0 HE ARG A 136 13.011 -4.643 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.683 -3.498 8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.411 -3.163 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.206 -4.201 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.825 -3.557 7.203 1.00 0.00 H new ATOM 2015 N VAL A 137 5.976 -6.196 6.357 1.00 0.00 N ATOM 2016 CA VAL A 137 4.613 -5.951 6.827 1.00 0.00 C ATOM 2017 C VAL A 137 4.516 -6.202 8.336 1.00 0.00 C ATOM 2018 O VAL A 137 5.020 -7.206 8.847 1.00 0.00 O ATOM 2019 CB VAL A 137 3.508 -6.741 6.026 1.00 0.00 C ATOM 2020 CG1 VAL A 137 3.943 -7.065 4.600 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.066 -8.010 6.727 1.00 0.00 C ATOM 0 H VAL A 137 6.362 -7.104 6.615 1.00 0.00 H new ATOM 0 HA VAL A 137 4.401 -4.900 6.631 1.00 0.00 H new ATOM 0 HB VAL A 137 2.654 -6.066 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.147 -7.609 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.150 -6.139 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.843 -7.679 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.305 -8.510 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.922 -8.673 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.653 -7.761 7.704 1.00 0.00 H new ATOM 2031 N ASN A 138 3.878 -5.255 9.032 1.00 0.00 N ATOM 2032 CA ASN A 138 3.697 -5.315 10.489 1.00 0.00 C ATOM 2033 C ASN A 138 2.374 -4.662 10.894 1.00 0.00 C ATOM 2034 O ASN A 138 1.688 -4.068 10.059 1.00 0.00 O ATOM 2035 CB ASN A 138 4.868 -4.624 11.213 1.00 0.00 C ATOM 2036 CG ASN A 138 6.172 -5.398 11.106 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.097 -4.983 10.408 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.251 -6.526 11.804 1.00 0.00 N ATOM 0 H ASN A 138 3.472 -4.424 8.602 1.00 0.00 H new ATOM 0 HA ASN A 138 3.676 -6.364 10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.008 -3.627 10.796 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.613 -4.496 12.265 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.103 -7.086 11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.459 -6.832 12.370 1.00 0.00 H new ATOM 2045 N LEU A 139 2.016 -4.783 12.182 1.00 0.00 N ATOM 2046 CA LEU A 139 0.779 -4.198 12.721 1.00 0.00 C ATOM 2047 C LEU A 139 0.863 -2.662 12.715 1.00 0.00 C ATOM 2048 O LEU A 139 1.807 -2.081 13.261 1.00 0.00 O ATOM 2049 CB LEU A 139 0.561 -4.699 14.161 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.884 -4.674 14.690 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -1.046 -5.689 15.811 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.273 -3.285 15.186 1.00 0.00 C ATOM 0 H LEU A 139 2.572 -5.285 12.874 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.059 -4.504 12.094 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.929 -5.723 14.224 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.178 -4.097 14.828 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.547 -4.935 13.865 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.072 -5.664 16.179 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.820 -6.686 15.434 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.363 -5.445 16.624 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.299 -3.304 15.552 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.605 -2.987 15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.193 -2.571 14.367 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.132 -2.026 12.086 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.192 -0.568 11.989 1.00 0.00 C ATOM 2066 C ALA A 140 -1.149 0.013 13.026 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.612 -0.149 10.586 1.00 0.00 C ATOM 0 H ALA A 140 -0.911 -2.505 11.634 1.00 0.00 H new ATOM 0 HA ALA A 140 0.804 -0.174 12.191 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.653 0.939 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.112 -0.524 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.596 -0.561 10.362 1.00 0.00 H new