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= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 91 THR OG1 : rot -140:sc= -0.0857 USER MOD Single : A 94 GLN : amide:sc=-0.00275 X(o=-0.0027,f=-0.0054) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -2.42 K(o=-2.4,f=-4.8!) USER MOD Single : A 124 ASN : amide:sc= -0.931 X(o=-0.93,f=-0.91) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.515 K(o=-0.52,f=-3!) USER MOD Single : A 128 SER OG : rot -110:sc= -0.131 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.558 -3.754 12.025 1.00 0.00 N ATOM 883 CA ARG A 64 -6.754 -4.294 10.674 1.00 0.00 C ATOM 884 C ARG A 64 -5.891 -3.556 9.635 1.00 0.00 C ATOM 885 O ARG A 64 -5.970 -3.845 8.434 1.00 0.00 O ATOM 886 CB ARG A 64 -8.239 -4.222 10.288 1.00 0.00 C ATOM 887 CG ARG A 64 -9.132 -5.171 11.073 1.00 0.00 C ATOM 888 CD ARG A 64 -10.589 -5.042 10.661 1.00 0.00 C ATOM 889 NE ARG A 64 -11.475 -5.858 11.501 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.227 -5.384 12.506 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.217 -4.091 12.824 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.994 -6.217 13.197 1.00 0.00 N ATOM 0 HA ARG A 64 -6.436 -5.337 10.681 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.593 -3.202 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.338 -4.443 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.799 -6.197 10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.035 -4.964 12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.892 -3.997 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.699 -5.344 9.619 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.522 -6.858 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.630 -3.441 12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.796 -3.750 13.592 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.009 -7.210 12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.569 -5.865 13.963 1.00 0.00 H new ATOM 906 N VAL A 65 -5.060 -2.615 10.108 1.00 0.00 N ATOM 907 CA VAL A 65 -4.177 -1.833 9.232 1.00 0.00 C ATOM 908 C VAL A 65 -2.725 -2.290 9.419 1.00 0.00 C ATOM 909 O VAL A 65 -2.233 -2.366 10.549 1.00 0.00 O ATOM 910 CB VAL A 65 -4.289 -0.299 9.509 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.616 0.518 8.407 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.747 0.133 9.657 1.00 0.00 C ATOM 0 H VAL A 65 -4.982 -2.377 11.097 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.492 -2.007 8.203 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.771 -0.107 10.448 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.713 1.580 8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.560 0.253 8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.095 0.304 7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.791 1.205 9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.289 -0.094 8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.203 -0.404 10.489 1.00 0.00 H new ATOM 922 N LEU A 66 -2.057 -2.590 8.301 1.00 0.00 N ATOM 923 CA LEU A 66 -0.664 -3.056 8.318 1.00 0.00 C ATOM 924 C LEU A 66 0.221 -2.146 7.462 1.00 0.00 C ATOM 925 O LEU A 66 -0.266 -1.480 6.545 1.00 0.00 O ATOM 926 CB LEU A 66 -0.551 -4.513 7.808 1.00 0.00 C ATOM 927 CG LEU A 66 -1.808 -5.399 7.929 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.645 -6.659 7.093 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.094 -5.763 9.382 1.00 0.00 C ATOM 0 H LEU A 66 -2.460 -2.518 7.367 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.322 -3.022 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.258 -4.482 6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.259 -5.000 8.351 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.658 -4.829 7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.539 -7.276 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.501 -6.386 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.779 -7.219 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.986 -6.388 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.245 -6.309 9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.255 -4.853 9.960 1.00 0.00 H new ATOM 941 N TYR A 67 1.522 -2.131 7.776 1.00 0.00 N ATOM 942 CA TYR A 67 2.507 -1.340 7.036 1.00 0.00 C ATOM 943 C TYR A 67 3.122 -2.186 5.927 1.00 0.00 C ATOM 944 O TYR A 67 3.452 -3.347 6.147 1.00 0.00 O ATOM 945 CB TYR A 67 3.616 -0.828 7.987 1.00 0.00 C ATOM 946 CG TYR A 67 4.806 -0.162 7.293 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.815 1.200 7.022 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.915 -0.916 6.902 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.891 1.794 6.383 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.993 -0.329 6.263 1.00 0.00 C ATOM 951 CZ TYR A 67 6.975 1.025 6.006 1.00 0.00 C ATOM 952 OH TYR A 67 8.044 1.616 5.372 1.00 0.00 O ATOM 0 H TYR A 67 1.919 -2.666 8.548 1.00 0.00 H new ATOM 0 HA TYR A 67 2.004 -0.480 6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.175 -0.115 8.684 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.983 -1.667 8.578 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.970 1.806 7.314 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.931 -1.977 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.882 2.855 6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.842 -0.927 5.968 1.00 0.00 H new ATOM 0 HH TYR A 67 8.723 0.938 5.175 1.00 0.00 H new ATOM 962 N VAL A 68 3.256 -1.598 4.742 1.00 0.00 N ATOM 963 CA VAL A 68 3.878 -2.282 3.612 1.00 0.00 C ATOM 964 C VAL A 68 4.866 -1.345 2.923 1.00 0.00 C ATOM 965 O VAL A 68 4.474 -0.319 2.360 1.00 0.00 O ATOM 966 CB VAL A 68 2.847 -2.852 2.591 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.257 -4.150 3.121 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.727 -1.863 2.261 1.00 0.00 C ATOM 0 H VAL A 68 2.942 -0.649 4.539 1.00 0.00 H new ATOM 0 HA VAL A 68 4.408 -3.146 4.013 1.00 0.00 H new ATOM 0 HB VAL A 68 3.387 -3.039 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.537 -4.543 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.055 -4.878 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.756 -3.961 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.041 -2.316 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.186 -1.609 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.156 -0.958 1.830 1.00 0.00 H new ATOM 978 N GLY A 69 6.149 -1.714 2.981 1.00 0.00 N ATOM 979 CA GLY A 69 7.197 -0.903 2.385 1.00 0.00 C ATOM 980 C GLY A 69 8.123 -1.708 1.506 1.00 0.00 C ATOM 981 O GLY A 69 8.459 -2.847 1.831 1.00 0.00 O ATOM 0 H GLY A 69 6.479 -2.566 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.744 -0.106 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.776 -0.425 3.175 1.00 0.00 H new ATOM 985 N GLY A 70 8.542 -1.096 0.400 1.00 0.00 N ATOM 986 CA GLY A 70 9.431 -1.753 -0.546 1.00 0.00 C ATOM 987 C GLY A 70 8.768 -1.998 -1.890 1.00 0.00 C ATOM 988 O GLY A 70 9.165 -2.909 -2.622 1.00 0.00 O ATOM 0 H GLY A 70 8.278 -0.146 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.321 -1.140 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.762 -2.704 -0.129 1.00 0.00 H new ATOM 992 N LEU A 71 7.754 -1.182 -2.207 1.00 0.00 N ATOM 993 CA LEU A 71 7.022 -1.293 -3.472 1.00 0.00 C ATOM 994 C LEU A 71 7.596 -0.323 -4.502 1.00 0.00 C ATOM 995 O LEU A 71 8.340 0.600 -4.155 1.00 0.00 O ATOM 996 CB LEU A 71 5.508 -1.009 -3.307 1.00 0.00 C ATOM 997 CG LEU A 71 4.853 -1.421 -1.980 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.049 -0.347 -0.925 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.375 -1.668 -2.196 1.00 0.00 C ATOM 0 H LEU A 71 7.422 -0.434 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 71 7.139 -2.322 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.349 0.061 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.980 -1.515 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 71 5.327 -2.337 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.577 -0.661 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.115 -0.192 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.596 0.584 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.913 -1.960 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.904 -0.757 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.242 -2.465 -2.927 1.00 0.00 H new ATOM 1011 N ALA A 72 7.239 -0.547 -5.767 1.00 0.00 N ATOM 1012 CA ALA A 72 7.690 0.294 -6.878 1.00 0.00 C ATOM 1013 C ALA A 72 6.872 1.583 -6.961 1.00 0.00 C ATOM 1014 O ALA A 72 5.712 1.612 -6.551 1.00 0.00 O ATOM 1015 CB ALA A 72 7.589 -0.478 -8.184 1.00 0.00 C ATOM 0 H ALA A 72 6.630 -1.315 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 72 8.730 0.567 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.926 0.153 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.215 -1.368 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.553 -0.773 -8.353 1.00 0.00 H new ATOM 1021 N GLU A 73 7.492 2.646 -7.486 1.00 0.00 N ATOM 1022 CA GLU A 73 6.829 3.953 -7.637 1.00 0.00 C ATOM 1023 C GLU A 73 5.638 3.877 -8.611 1.00 0.00 C ATOM 1024 O GLU A 73 4.661 4.618 -8.470 1.00 0.00 O ATOM 1025 CB GLU A 73 7.850 4.997 -8.117 1.00 0.00 C ATOM 1026 CG GLU A 73 7.316 6.424 -8.142 1.00 0.00 C ATOM 1027 CD GLU A 73 8.370 7.448 -8.523 1.00 0.00 C ATOM 1028 OE1 GLU A 73 8.902 7.365 -9.651 1.00 0.00 O ATOM 1029 OE2 GLU A 73 8.660 8.335 -7.693 1.00 0.00 O ATOM 0 H GLU A 73 8.457 2.629 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 73 6.435 4.250 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.725 4.959 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.185 4.728 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.488 6.483 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.915 6.673 -7.159 1.00 0.00 H new ATOM 1036 N GLU A 74 5.747 2.974 -9.584 1.00 0.00 N ATOM 1037 CA GLU A 74 4.716 2.776 -10.610 1.00 0.00 C ATOM 1038 C GLU A 74 3.578 1.843 -10.145 1.00 0.00 C ATOM 1039 O GLU A 74 2.768 1.397 -10.968 1.00 0.00 O ATOM 1040 CB GLU A 74 5.355 2.228 -11.898 1.00 0.00 C ATOM 1041 CG GLU A 74 6.308 3.201 -12.583 1.00 0.00 C ATOM 1042 CD GLU A 74 6.866 2.653 -13.883 1.00 0.00 C ATOM 1043 OE1 GLU A 74 7.759 1.783 -13.825 1.00 0.00 O ATOM 1044 OE2 GLU A 74 6.409 3.095 -14.958 1.00 0.00 O ATOM 0 H GLU A 74 6.552 2.357 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 74 4.267 3.751 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.896 1.312 -11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.563 1.958 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.785 4.137 -12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.131 3.433 -11.908 1.00 0.00 H new ATOM 1051 N VAL A 75 3.500 1.561 -8.829 1.00 0.00 N ATOM 1052 CA VAL A 75 2.444 0.675 -8.303 1.00 0.00 C ATOM 1053 C VAL A 75 1.184 1.479 -7.943 1.00 0.00 C ATOM 1054 O VAL A 75 1.269 2.531 -7.301 1.00 0.00 O ATOM 1055 CB VAL A 75 2.903 -0.208 -7.086 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.214 -0.924 -7.384 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.016 0.585 -5.782 1.00 0.00 C ATOM 0 H VAL A 75 4.141 1.925 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 75 2.211 -0.020 -9.110 1.00 0.00 H new ATOM 0 HB VAL A 75 2.119 -0.952 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.504 -1.526 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.086 -1.571 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.991 -0.189 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.337 -0.079 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.746 1.385 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.046 1.015 -5.532 1.00 0.00 H new ATOM 1067 N ASP A 76 0.032 0.970 -8.379 1.00 0.00 N ATOM 1068 CA ASP A 76 -1.257 1.611 -8.122 1.00 0.00 C ATOM 1069 C ASP A 76 -1.999 0.888 -6.993 1.00 0.00 C ATOM 1070 O ASP A 76 -1.546 -0.160 -6.521 1.00 0.00 O ATOM 1071 CB ASP A 76 -2.099 1.617 -9.407 1.00 0.00 C ATOM 1072 CG ASP A 76 -3.031 2.812 -9.489 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -2.530 3.954 -9.549 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -4.262 2.604 -9.492 1.00 0.00 O ATOM 0 H ASP A 76 -0.034 0.106 -8.918 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.086 2.641 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.435 1.619 -10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.685 0.700 -9.457 1.00 0.00 H new ATOM 1079 N ASP A 77 -3.142 1.456 -6.562 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.968 0.870 -5.489 1.00 0.00 C ATOM 1081 C ASP A 77 -4.440 -0.542 -5.859 1.00 0.00 C ATOM 1082 O ASP A 77 -4.638 -1.393 -4.986 1.00 0.00 O ATOM 1083 CB ASP A 77 -5.183 1.759 -5.202 1.00 0.00 C ATOM 1084 CG ASP A 77 -4.804 3.074 -4.544 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.549 4.053 -5.276 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -4.766 3.123 -3.296 1.00 0.00 O ATOM 0 H ASP A 77 -3.516 2.325 -6.943 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.349 0.805 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.708 1.962 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.877 1.221 -4.556 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.611 -0.764 -7.170 1.00 0.00 N ATOM 1092 CA LYS A 78 -5.050 -2.051 -7.728 1.00 0.00 C ATOM 1093 C LYS A 78 -3.965 -3.109 -7.545 1.00 0.00 C ATOM 1094 O LYS A 78 -4.251 -4.276 -7.262 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.355 -1.889 -9.219 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.477 -0.911 -9.517 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.667 -0.737 -11.008 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.683 0.349 -11.310 1.00 0.00 C ATOM 1099 NZ LYS A 78 -7.666 0.745 -12.746 1.00 0.00 N ATOM 0 H LYS A 78 -4.447 -0.049 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.949 -2.371 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.452 -1.556 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.616 -2.863 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.404 -1.269 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.254 0.053 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.713 -0.485 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.996 -1.679 -11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.680 -0.002 -11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.476 1.222 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.374 1.489 -12.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.723 1.105 -12.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.889 -0.081 -13.337 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.711 -2.664 -7.717 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.525 -3.497 -7.582 1.00 0.00 C ATOM 1115 C VAL A 79 -1.375 -4.015 -6.139 1.00 0.00 C ATOM 1116 O VAL A 79 -1.168 -5.214 -5.923 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.260 -2.685 -7.990 1.00 0.00 C ATOM 1118 CG1 VAL A 79 0.979 -3.546 -7.959 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.414 -2.058 -9.371 1.00 0.00 C ATOM 0 H VAL A 79 -2.498 -1.696 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.633 -4.357 -8.243 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.152 -1.885 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.844 -2.949 -8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.127 -3.934 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.862 -4.377 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.489 -1.500 -9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.571 -2.842 -10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.270 -1.383 -9.371 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.500 -3.099 -5.162 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.383 -3.446 -3.740 1.00 0.00 C ATOM 1131 C LEU A 80 -2.570 -4.307 -3.283 1.00 0.00 C ATOM 1132 O LEU A 80 -2.408 -5.222 -2.471 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.292 -2.177 -2.880 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.521 -2.327 -1.558 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.103 -1.002 -1.154 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.425 -2.850 -0.447 1.00 0.00 C ATOM 0 H LEU A 80 -1.683 -2.111 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.468 -4.025 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.818 -1.393 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.303 -1.839 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 80 0.274 -3.056 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.645 -1.126 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.793 -0.673 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.680 -0.255 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.851 -2.945 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.249 -2.154 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.822 -3.825 -0.730 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.760 -3.992 -3.820 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.001 -4.709 -3.501 1.00 0.00 C ATOM 1150 C HIS A 81 -4.986 -6.145 -4.057 1.00 0.00 C ATOM 1151 O HIS A 81 -5.269 -7.105 -3.335 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.199 -3.929 -4.065 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.491 -4.168 -3.343 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.984 -3.313 -2.379 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.400 -5.165 -3.457 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.138 -3.773 -1.932 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.414 -4.896 -2.570 1.00 0.00 N ATOM 0 H HIS A 81 -3.887 -3.232 -4.488 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.087 -4.782 -2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.971 -2.864 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.329 -4.195 -5.114 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.339 -6.014 -4.122 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.752 -3.310 -1.174 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.245 -5.470 -2.427 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.635 -6.272 -5.346 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.577 -7.569 -6.036 1.00 0.00 C ATOM 1168 C ALA A 82 -3.416 -8.455 -5.558 1.00 0.00 C ATOM 1169 O ALA A 82 -3.452 -9.675 -5.741 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.482 -7.354 -7.540 1.00 0.00 C ATOM 0 H ALA A 82 -4.384 -5.480 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.498 -8.098 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.439 -8.320 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.357 -6.803 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.581 -6.785 -7.770 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.394 -7.833 -4.946 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.213 -8.553 -4.462 1.00 0.00 C ATOM 1178 C ALA A 83 -1.454 -9.131 -3.074 1.00 0.00 C ATOM 1179 O ALA A 83 -0.925 -10.191 -2.728 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.006 -7.626 -4.439 1.00 0.00 C ATOM 0 H ALA A 83 -2.366 -6.828 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.017 -9.379 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.865 -8.172 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.189 -7.257 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.207 -6.784 -3.777 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.259 -8.412 -2.296 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.591 -8.803 -0.936 1.00 0.00 C ATOM 1188 C PHE A 84 -3.996 -9.411 -0.827 1.00 0.00 C ATOM 1189 O PHE A 84 -4.442 -9.765 0.271 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.450 -7.592 -0.017 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.021 -7.210 0.262 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.341 -7.755 1.339 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.358 -6.313 -0.561 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.975 -7.413 1.590 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.957 -5.966 -0.313 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.624 -6.517 0.763 1.00 0.00 C ATOM 0 H PHE A 84 -2.698 -7.541 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.895 -9.583 -0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.963 -6.743 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.952 -7.803 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.844 -8.455 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.874 -5.880 -1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.495 -7.846 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.462 -5.264 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.652 -6.248 0.958 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.687 -9.545 -1.975 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.037 -10.126 -2.020 1.00 0.00 C ATOM 1208 C ILE A 85 -6.053 -11.670 -1.762 1.00 0.00 C ATOM 1209 O ILE A 85 -7.040 -12.158 -1.205 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.789 -9.736 -3.348 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.302 -10.009 -3.241 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.219 -10.439 -4.582 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.090 -8.916 -2.539 1.00 0.00 C ATOM 0 H ILE A 85 -4.328 -9.257 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.589 -9.686 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.629 -8.665 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.706 -10.144 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.452 -10.948 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.777 -10.131 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.170 -10.169 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.303 -11.519 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.145 -9.190 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.717 -8.794 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.975 -7.978 -3.082 1.00 0.00 H new ATOM 1225 N PRO A 86 -4.992 -12.471 -2.145 1.00 0.00 N ATOM 1226 CA PRO A 86 -4.987 -13.936 -1.902 1.00 0.00 C ATOM 1227 C PRO A 86 -5.098 -14.325 -0.419 1.00 0.00 C ATOM 1228 O PRO A 86 -5.532 -15.435 -0.102 1.00 0.00 O ATOM 1229 CB PRO A 86 -3.635 -14.401 -2.457 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.235 -13.347 -3.424 1.00 0.00 C ATOM 1231 CD PRO A 86 -3.748 -12.060 -2.850 1.00 0.00 C ATOM 0 HA PRO A 86 -5.854 -14.399 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.897 -14.508 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.721 -15.372 -2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.152 -13.318 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.663 -13.535 -4.409 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.028 -11.609 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.951 -11.325 -3.629 1.00 0.00 H new ATOM 1239 N PHE A 87 -4.703 -13.405 0.482 1.00 0.00 N ATOM 1240 CA PHE A 87 -4.747 -13.662 1.935 1.00 0.00 C ATOM 1241 C PHE A 87 -6.163 -13.511 2.508 1.00 0.00 C ATOM 1242 O PHE A 87 -6.520 -14.197 3.471 1.00 0.00 O ATOM 1243 CB PHE A 87 -3.803 -12.723 2.704 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.387 -12.694 2.198 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.449 -13.581 2.694 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -1.998 -11.786 1.221 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.149 -13.564 2.233 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.694 -11.768 0.758 1.00 0.00 C ATOM 1249 CZ PHE A 87 0.230 -12.658 1.266 1.00 0.00 C ATOM 0 H PHE A 87 -4.351 -12.481 0.231 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.421 -14.694 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.208 -11.712 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.793 -13.021 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.738 -14.295 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.719 -11.089 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.573 -14.262 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.400 -11.058 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.248 -12.645 0.907 1.00 0.00 H new ATOM 1259 N GLY A 88 -6.956 -12.613 1.909 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.315 -12.371 2.376 1.00 0.00 C ATOM 1261 C GLY A 88 -8.943 -11.150 1.728 1.00 0.00 C ATOM 1262 O GLY A 88 -8.514 -10.721 0.653 1.00 0.00 O ATOM 0 H GLY A 88 -6.677 -12.049 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.929 -13.246 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.306 -12.240 3.458 1.00 0.00 H new ATOM 1266 N ASP A 89 -9.967 -10.595 2.391 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.678 -9.408 1.901 1.00 0.00 C ATOM 1268 C ASP A 89 -9.978 -8.120 2.333 1.00 0.00 C ATOM 1269 O ASP A 89 -9.501 -8.016 3.466 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.123 -9.402 2.411 1.00 0.00 C ATOM 1271 CG ASP A 89 -12.974 -10.486 1.776 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.026 -11.603 2.335 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.590 -10.219 0.724 1.00 0.00 O ATOM 0 H ASP A 89 -10.323 -10.954 3.277 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.677 -9.452 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.122 -9.534 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.571 -8.429 2.209 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.926 -7.148 1.416 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.290 -5.853 1.682 1.00 0.00 C ATOM 1280 C ILE A 90 -10.328 -4.733 1.596 1.00 0.00 C ATOM 1281 O ILE A 90 -11.206 -4.755 0.728 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.107 -5.574 0.705 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.088 -6.721 0.765 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.412 -4.245 1.035 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.445 -7.036 -0.566 1.00 0.00 C ATOM 0 H ILE A 90 -10.319 -7.234 0.479 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.877 -5.886 2.690 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.516 -5.505 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.309 -6.465 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.584 -7.616 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.592 -4.080 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.130 -3.429 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.020 -4.282 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.738 -7.856 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.214 -7.324 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.919 -6.155 -0.933 1.00 0.00 H new ATOM 1297 N THR A 91 -10.212 -3.763 2.508 1.00 0.00 N ATOM 1298 CA THR A 91 -11.134 -2.630 2.563 1.00 0.00 C ATOM 1299 C THR A 91 -10.614 -1.418 1.781 1.00 0.00 C ATOM 1300 O THR A 91 -11.247 -0.996 0.810 1.00 0.00 O ATOM 1301 CB THR A 91 -11.439 -2.212 4.019 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.252 -2.288 4.817 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.518 -3.098 4.625 1.00 0.00 C ATOM 0 H THR A 91 -9.483 -3.742 3.221 1.00 0.00 H new ATOM 0 HA THR A 91 -12.056 -2.971 2.092 1.00 0.00 H new ATOM 0 HB THR A 91 -11.799 -1.183 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.474 -2.650 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.714 -2.783 5.650 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.432 -3.012 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.182 -4.135 4.622 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.461 -0.859 2.203 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.886 0.326 1.545 1.00 0.00 C ATOM 1313 C ASP A 92 -7.354 0.309 1.522 1.00 0.00 C ATOM 1314 O ASP A 92 -6.715 -0.291 2.389 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.354 1.609 2.261 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.846 1.876 2.114 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.391 1.660 1.008 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.469 2.303 3.108 1.00 0.00 O ATOM 0 H ASP A 92 -8.915 -1.208 2.991 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.238 0.307 0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.109 1.535 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.800 2.460 1.865 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.791 0.981 0.505 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.337 1.121 0.344 1.00 0.00 C ATOM 1325 C ILE A 93 -4.986 2.614 0.343 1.00 0.00 C ATOM 1326 O ILE A 93 -5.607 3.396 -0.384 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.800 0.453 -0.975 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -5.193 -1.048 -1.105 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -3.279 0.603 -1.097 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -5.003 -1.897 0.150 1.00 0.00 C ATOM 0 H ILE A 93 -7.331 1.442 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.859 0.604 1.176 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.282 0.988 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.240 -1.105 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.606 -1.489 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.940 0.131 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.018 1.661 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.797 0.124 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.308 -2.923 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.953 -1.882 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.612 -1.493 0.959 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.995 2.998 1.154 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.571 4.401 1.241 1.00 0.00 C ATOM 1344 C GLN A 94 -2.101 4.568 0.863 1.00 0.00 C ATOM 1345 O GLN A 94 -1.251 3.776 1.277 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.821 4.957 2.652 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.300 5.104 3.020 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.989 6.259 2.308 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.567 7.412 2.409 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -7.058 5.951 1.582 1.00 0.00 N ATOM 0 H GLN A 94 -3.473 2.362 1.757 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.169 4.967 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.342 4.301 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.339 5.931 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.820 4.177 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.386 5.248 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.374 4.983 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.563 6.683 1.081 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.822 5.615 0.078 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.464 5.927 -0.384 1.00 0.00 C ATOM 1361 C ILE A 95 -0.116 7.394 -0.035 1.00 0.00 C ATOM 1362 O ILE A 95 -0.552 8.311 -0.741 1.00 0.00 O ATOM 1363 CB ILE A 95 -0.318 5.664 -1.927 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.443 4.163 -2.235 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.012 6.183 -2.481 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.865 3.701 -2.472 1.00 0.00 C ATOM 0 H ILE A 95 -2.530 6.269 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 95 0.239 5.269 0.127 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.125 6.211 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.155 3.932 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.021 3.596 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.066 5.978 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.081 7.258 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.837 5.683 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.870 2.632 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.465 3.898 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.286 4.240 -3.321 1.00 0.00 H new ATOM 1378 N PRO A 96 0.665 7.648 1.068 1.00 0.00 N ATOM 1379 CA PRO A 96 1.050 9.020 1.473 1.00 0.00 C ATOM 1380 C PRO A 96 1.882 9.741 0.407 1.00 0.00 C ATOM 1381 O PRO A 96 2.886 9.207 -0.077 1.00 0.00 O ATOM 1382 CB PRO A 96 1.889 8.814 2.743 1.00 0.00 C ATOM 1383 CG PRO A 96 1.535 7.452 3.230 1.00 0.00 C ATOM 1384 CD PRO A 96 1.218 6.642 2.005 1.00 0.00 C ATOM 0 HA PRO A 96 0.170 9.646 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.955 8.890 2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.661 9.572 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.361 7.010 3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.680 7.489 3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.108 6.160 1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.498 5.853 2.219 1.00 0.00 H new ATOM 1392 N LEU A 97 1.445 10.951 0.048 1.00 0.00 N ATOM 1393 CA LEU A 97 2.132 11.759 -0.958 1.00 0.00 C ATOM 1394 C LEU A 97 2.417 13.162 -0.424 1.00 0.00 C ATOM 1395 O LEU A 97 1.538 13.799 0.164 1.00 0.00 O ATOM 1396 CB LEU A 97 1.284 11.838 -2.238 1.00 0.00 C ATOM 1397 CG LEU A 97 2.019 12.323 -3.493 1.00 0.00 C ATOM 1398 CD1 LEU A 97 2.574 11.145 -4.281 1.00 0.00 C ATOM 1399 CD2 LEU A 97 1.091 13.159 -4.361 1.00 0.00 C ATOM 0 H LEU A 97 0.614 11.393 0.442 1.00 0.00 H new ATOM 0 HA LEU A 97 3.085 11.284 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.871 10.850 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.441 12.504 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 97 2.856 12.947 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.092 11.512 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.273 10.587 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.756 10.491 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.628 13.496 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.234 12.557 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.745 14.024 -3.796 1.00 0.00 H new ATOM 1411 N ASP A 98 3.653 13.630 -0.637 1.00 0.00 N ATOM 1412 CA ASP A 98 4.074 14.966 -0.201 1.00 0.00 C ATOM 1413 C ASP A 98 3.743 16.004 -1.270 1.00 0.00 C ATOM 1414 O ASP A 98 3.914 15.747 -2.460 1.00 0.00 O ATOM 1415 CB ASP A 98 5.582 14.996 0.095 1.00 0.00 C ATOM 1416 CG ASP A 98 5.988 14.093 1.253 1.00 0.00 C ATOM 1417 OD1 ASP A 98 5.251 14.039 2.262 1.00 0.00 O ATOM 1418 OD2 ASP A 98 7.047 13.440 1.147 1.00 0.00 O ATOM 0 H ASP A 98 4.383 13.099 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 98 3.532 15.206 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.127 14.695 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.881 16.020 0.320 1.00 0.00 H new ATOM 1423 N TYR A 99 3.250 17.169 -0.835 1.00 0.00 N ATOM 1424 CA TYR A 99 2.892 18.272 -1.747 1.00 0.00 C ATOM 1425 C TYR A 99 4.107 18.840 -2.490 1.00 0.00 C ATOM 1426 O TYR A 99 4.000 19.266 -3.643 1.00 0.00 O ATOM 1427 CB TYR A 99 2.201 19.396 -0.967 1.00 0.00 C ATOM 1428 CG TYR A 99 0.823 19.035 -0.456 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.269 19.039 -1.311 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.616 18.697 0.875 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -1.533 18.715 -0.858 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -0.645 18.371 1.338 1.00 0.00 C ATOM 1433 CZ TYR A 99 -1.716 18.381 0.468 1.00 0.00 C ATOM 1434 OH TYR A 99 -2.973 18.059 0.926 1.00 0.00 O ATOM 0 H TYR A 99 3.087 17.377 0.150 1.00 0.00 H new ATOM 0 HA TYR A 99 2.214 17.858 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.829 19.676 -0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.121 20.273 -1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.129 19.300 -2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.452 18.689 1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.373 18.723 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.791 18.110 2.376 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.929 17.848 1.882 1.00 0.00 H new ATOM 1444 N GLU A 100 5.256 18.835 -1.803 1.00 0.00 N ATOM 1445 CA GLU A 100 6.521 19.361 -2.338 1.00 0.00 C ATOM 1446 C GLU A 100 7.084 18.512 -3.500 1.00 0.00 C ATOM 1447 O GLU A 100 7.518 19.067 -4.515 1.00 0.00 O ATOM 1448 CB GLU A 100 7.548 19.449 -1.195 1.00 0.00 C ATOM 1449 CG GLU A 100 8.792 20.277 -1.513 1.00 0.00 C ATOM 1450 CD GLU A 100 9.836 20.218 -0.413 1.00 0.00 C ATOM 1451 OE1 GLU A 100 10.370 19.117 -0.155 1.00 0.00 O ATOM 1452 OE2 GLU A 100 10.120 21.274 0.190 1.00 0.00 O ATOM 0 H GLU A 100 5.336 18.465 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 100 6.321 20.350 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.060 19.875 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.860 18.439 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.232 19.920 -2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.500 21.315 -1.675 1.00 0.00 H new ATOM 1459 N THR A 101 7.072 17.182 -3.345 1.00 0.00 N ATOM 1460 CA THR A 101 7.610 16.276 -4.371 1.00 0.00 C ATOM 1461 C THR A 101 6.521 15.614 -5.209 1.00 0.00 C ATOM 1462 O THR A 101 6.746 15.331 -6.387 1.00 0.00 O ATOM 1463 CB THR A 101 8.487 15.176 -3.733 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.782 14.544 -2.656 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.803 15.748 -3.219 1.00 0.00 C ATOM 0 H THR A 101 6.697 16.709 -2.522 1.00 0.00 H new ATOM 0 HA THR A 101 8.212 16.900 -5.031 1.00 0.00 H new ATOM 0 HB THR A 101 8.711 14.438 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.346 13.847 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.398 14.950 -2.776 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.354 16.194 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.599 16.510 -2.466 1.00 0.00 H new ATOM 1473 N GLU A 102 5.324 15.413 -4.619 1.00 0.00 N ATOM 1474 CA GLU A 102 4.179 14.758 -5.304 1.00 0.00 C ATOM 1475 C GLU A 102 4.603 13.388 -5.898 1.00 0.00 C ATOM 1476 O GLU A 102 4.089 12.949 -6.934 1.00 0.00 O ATOM 1477 CB GLU A 102 3.600 15.699 -6.392 1.00 0.00 C ATOM 1478 CG GLU A 102 2.202 15.327 -6.881 1.00 0.00 C ATOM 1479 CD GLU A 102 1.722 16.213 -8.015 1.00 0.00 C ATOM 1480 OE1 GLU A 102 2.346 16.188 -9.099 1.00 0.00 O ATOM 1481 OE2 GLU A 102 0.721 16.935 -7.820 1.00 0.00 O ATOM 0 H GLU A 102 5.120 15.696 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 102 3.394 14.565 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.574 16.715 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.278 15.706 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.202 14.289 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.501 15.396 -6.050 1.00 0.00 H new ATOM 1488 N LYS A 103 5.542 12.724 -5.206 1.00 0.00 N ATOM 1489 CA LYS A 103 6.076 11.430 -5.650 1.00 0.00 C ATOM 1490 C LYS A 103 5.915 10.367 -4.563 1.00 0.00 C ATOM 1491 O LYS A 103 5.851 10.690 -3.373 1.00 0.00 O ATOM 1492 CB LYS A 103 7.573 11.548 -6.002 1.00 0.00 C ATOM 1493 CG LYS A 103 7.935 12.710 -6.924 1.00 0.00 C ATOM 1494 CD LYS A 103 9.341 12.559 -7.482 1.00 0.00 C ATOM 1495 CE LYS A 103 9.755 13.781 -8.288 1.00 0.00 C ATOM 1496 NZ LYS A 103 10.819 13.459 -9.278 1.00 0.00 N ATOM 0 H LYS A 103 5.947 13.065 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 103 5.511 11.135 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.140 11.649 -5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.893 10.618 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.220 12.761 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.859 13.649 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.044 12.407 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.390 11.672 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.886 14.185 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.111 14.558 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.073 14.318 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.658 13.098 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.471 12.736 -9.939 1.00 0.00 H new ATOM 1510 N HIS A 104 5.850 9.097 -4.988 1.00 0.00 N ATOM 1511 CA HIS A 104 5.733 7.965 -4.070 1.00 0.00 C ATOM 1512 C HIS A 104 7.131 7.404 -3.782 1.00 0.00 C ATOM 1513 O HIS A 104 7.935 7.224 -4.701 1.00 0.00 O ATOM 1514 CB HIS A 104 4.799 6.893 -4.667 1.00 0.00 C ATOM 1515 CG HIS A 104 4.681 5.623 -3.868 1.00 0.00 C ATOM 1516 ND1 HIS A 104 4.965 4.383 -4.397 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.278 5.402 -2.596 1.00 0.00 C ATOM 1518 CE1 HIS A 104 4.733 3.453 -3.490 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.317 4.046 -2.385 1.00 0.00 N ATOM 0 H HIS A 104 5.877 8.831 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 104 5.293 8.292 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 104 3.805 7.324 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.154 6.642 -5.667 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.981 6.153 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 104 4.861 2.389 -3.627 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.066 3.573 -1.517 1.00 0.00 H new ATOM 1528 N ARG A 105 7.398 7.135 -2.503 1.00 0.00 N ATOM 1529 CA ARG A 105 8.704 6.632 -2.066 1.00 0.00 C ATOM 1530 C ARG A 105 8.772 5.098 -1.984 1.00 0.00 C ATOM 1531 O ARG A 105 9.797 4.549 -1.559 1.00 0.00 O ATOM 1532 CB ARG A 105 9.074 7.254 -0.713 1.00 0.00 C ATOM 1533 CG ARG A 105 9.367 8.749 -0.777 1.00 0.00 C ATOM 1534 CD ARG A 105 9.806 9.289 0.575 1.00 0.00 C ATOM 1535 NE ARG A 105 9.954 10.748 0.565 1.00 0.00 N ATOM 1536 CZ ARG A 105 10.528 11.462 1.543 1.00 0.00 C ATOM 1537 NH1 ARG A 105 11.022 10.871 2.630 1.00 0.00 N ATOM 1538 NH2 ARG A 105 10.608 12.781 1.430 1.00 0.00 N ATOM 0 H ARG A 105 6.724 7.257 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 105 9.426 6.929 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.258 7.084 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.949 6.739 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.146 8.937 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.476 9.281 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.076 9.004 1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.754 8.831 0.857 1.00 0.00 H new ATOM 0 HE ARG A 105 9.595 11.255 -0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.967 9.857 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.455 11.432 3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.234 13.246 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.044 13.331 2.171 1.00 0.00 H new ATOM 1552 N GLY A 106 7.701 4.401 -2.400 1.00 0.00 N ATOM 1553 CA GLY A 106 7.707 2.942 -2.359 1.00 0.00 C ATOM 1554 C GLY A 106 7.167 2.340 -1.070 1.00 0.00 C ATOM 1555 O GLY A 106 7.565 1.231 -0.706 1.00 0.00 O ATOM 0 H GLY A 106 6.842 4.818 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.117 2.566 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.729 2.592 -2.507 1.00 0.00 H new ATOM 1559 N PHE A 107 6.287 3.069 -0.361 1.00 0.00 N ATOM 1560 CA PHE A 107 5.672 2.551 0.869 1.00 0.00 C ATOM 1561 C PHE A 107 4.220 3.010 1.002 1.00 0.00 C ATOM 1562 O PHE A 107 3.857 4.101 0.552 1.00 0.00 O ATOM 1563 CB PHE A 107 6.489 2.898 2.138 1.00 0.00 C ATOM 1564 CG PHE A 107 6.660 4.368 2.445 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.671 5.070 3.121 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.821 5.032 2.088 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.838 6.406 3.429 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.991 6.370 2.392 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.999 7.058 3.064 1.00 0.00 C ATOM 0 H PHE A 107 5.989 4.010 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 107 5.677 1.464 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 107 6.009 2.424 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.479 2.452 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.761 4.566 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.602 4.499 1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.061 6.940 3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.900 6.878 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.131 8.103 3.303 1.00 0.00 H new ATOM 1579 N ALA A 108 3.403 2.151 1.629 1.00 0.00 N ATOM 1580 CA ALA A 108 1.972 2.405 1.844 1.00 0.00 C ATOM 1581 C ALA A 108 1.438 1.539 2.994 1.00 0.00 C ATOM 1582 O ALA A 108 2.185 0.743 3.570 1.00 0.00 O ATOM 1583 CB ALA A 108 1.186 2.122 0.559 1.00 0.00 C ATOM 0 H ALA A 108 3.719 1.256 2.003 1.00 0.00 H new ATOM 0 HA ALA A 108 1.843 3.454 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.127 2.314 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.548 2.771 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.324 1.080 0.270 1.00 0.00 H new ATOM 1589 N PHE A 109 0.159 1.729 3.345 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.489 0.936 4.395 1.00 0.00 C ATOM 1591 C PHE A 109 -1.668 0.173 3.800 1.00 0.00 C ATOM 1592 O PHE A 109 -2.288 0.637 2.838 1.00 0.00 O ATOM 1593 CB PHE A 109 -0.964 1.819 5.558 1.00 0.00 C ATOM 1594 CG PHE A 109 0.147 2.521 6.288 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.578 3.775 5.884 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.757 1.928 7.383 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.595 4.424 6.555 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.776 2.573 8.058 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.197 3.822 7.644 1.00 0.00 C ATOM 0 H PHE A 109 -0.448 2.427 2.915 1.00 0.00 H new ATOM 0 HA PHE A 109 0.243 0.233 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.660 2.565 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.517 1.202 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.112 4.250 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.432 0.952 7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.920 5.401 6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.243 2.101 8.909 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.994 4.327 8.170 1.00 0.00 H new ATOM 1609 N VAL A 110 -1.976 -0.991 4.377 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.080 -1.820 3.887 1.00 0.00 C ATOM 1611 C VAL A 110 -4.120 -2.063 4.994 1.00 0.00 C ATOM 1612 O VAL A 110 -3.769 -2.380 6.135 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.547 -3.166 3.273 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.812 -4.036 4.295 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.665 -3.965 2.599 1.00 0.00 C ATOM 0 H VAL A 110 -1.480 -1.379 5.179 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.583 -1.279 3.085 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.822 -2.877 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.467 -4.951 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.956 -3.489 4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.489 -4.289 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.256 -4.888 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.434 -4.205 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.102 -3.372 1.796 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.395 -1.907 4.624 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.513 -2.093 5.543 1.00 0.00 C ATOM 1627 C GLU A 111 -7.308 -3.344 5.158 1.00 0.00 C ATOM 1628 O GLU A 111 -7.631 -3.540 3.984 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.415 -0.848 5.497 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.358 -0.707 6.683 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.411 0.370 6.483 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -10.126 0.330 5.458 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -9.523 1.255 7.358 1.00 0.00 O ATOM 0 H GLU A 111 -5.677 -1.648 3.678 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.135 -2.227 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.785 0.040 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.005 -0.876 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.853 -1.662 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.777 -0.477 7.576 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.619 -4.177 6.156 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.385 -5.406 5.931 1.00 0.00 C ATOM 1642 C PHE A 112 -9.715 -5.372 6.674 1.00 0.00 C ATOM 1643 O PHE A 112 -9.835 -4.730 7.720 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.579 -6.640 6.353 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.437 -6.963 5.428 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -6.630 -7.801 4.341 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -5.175 -6.430 5.637 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -5.590 -8.100 3.485 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -4.135 -6.726 4.780 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.341 -7.562 3.705 1.00 0.00 C ATOM 0 H PHE A 112 -7.352 -4.022 7.128 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.590 -5.471 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.187 -6.481 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.248 -7.499 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.607 -8.225 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.004 -5.776 6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.755 -8.756 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.157 -6.301 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.526 -7.795 3.036 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.717 -6.069 6.112 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.064 -6.146 6.702 1.00 0.00 C ATOM 1662 C GLU A 113 -12.050 -6.964 8.008 1.00 0.00 C ATOM 1663 O GLU A 113 -12.735 -6.614 8.973 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.039 -6.766 5.686 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.512 -6.528 5.998 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.443 -7.278 5.062 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.414 -8.528 5.067 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.201 -6.615 4.323 1.00 0.00 O ATOM 0 H GLU A 113 -10.617 -6.592 5.242 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.396 -5.137 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.820 -6.362 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.860 -7.840 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.715 -6.833 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.724 -5.461 5.935 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.262 -8.046 8.013 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.136 -8.918 9.180 1.00 0.00 C ATOM 1677 C LEU A 114 -9.751 -8.807 9.799 1.00 0.00 C ATOM 1678 O LEU A 114 -8.750 -8.702 9.084 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.394 -10.383 8.797 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.860 -10.831 8.813 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.529 -10.549 7.475 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.952 -12.313 9.154 1.00 0.00 C ATOM 0 H LEU A 114 -10.699 -8.337 7.214 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.881 -8.595 9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.993 -10.553 7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.832 -11.021 9.479 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.385 -10.261 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.568 -10.876 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.492 -9.479 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -13.006 -11.090 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.998 -12.620 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.410 -12.893 8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.514 -12.488 10.137 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.706 -8.830 11.138 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.445 -8.775 11.889 1.00 0.00 C ATOM 1696 C ALA A 115 -7.664 -10.086 11.730 1.00 0.00 C ATOM 1697 O ALA A 115 -6.445 -10.132 11.926 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.718 -8.496 13.360 1.00 0.00 C ATOM 0 H ALA A 115 -10.537 -8.887 11.727 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.839 -7.963 11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.774 -8.458 13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.233 -7.541 13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.342 -9.289 13.771 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.405 -11.149 11.360 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.856 -12.494 11.141 1.00 0.00 C ATOM 1706 C GLU A 116 -6.832 -12.495 9.992 1.00 0.00 C ATOM 1707 O GLU A 116 -5.769 -13.116 10.099 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.026 -13.456 10.842 1.00 0.00 C ATOM 1709 CG GLU A 116 -8.672 -14.946 10.832 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.398 -15.532 12.216 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.991 -15.051 13.208 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -7.585 -16.477 12.303 1.00 0.00 O ATOM 0 H GLU A 116 -9.411 -11.093 11.204 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.329 -12.824 12.036 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.807 -13.291 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.449 -13.195 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.490 -15.500 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.793 -15.095 10.206 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.166 -11.788 8.898 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.282 -11.671 7.730 1.00 0.00 C ATOM 1721 C ASP A 117 -5.065 -10.793 8.046 1.00 0.00 C ATOM 1722 O ASP A 117 -3.989 -11.007 7.490 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.044 -11.124 6.511 1.00 0.00 C ATOM 1724 CG ASP A 117 -6.254 -11.207 5.207 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -5.129 -11.751 5.213 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -6.767 -10.724 4.180 1.00 0.00 O ATOM 0 H ASP A 117 -8.049 -11.287 8.801 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.924 -12.671 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.976 -11.678 6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.312 -10.084 6.698 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.257 -9.795 8.927 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.181 -8.879 9.335 1.00 0.00 C ATOM 1733 C ALA A 118 -2.999 -9.650 9.935 1.00 0.00 C ATOM 1734 O ALA A 118 -1.841 -9.416 9.569 1.00 0.00 O ATOM 1735 CB ALA A 118 -4.719 -7.869 10.333 1.00 0.00 C ATOM 0 H ALA A 118 -6.155 -9.603 9.372 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.820 -8.352 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.919 -7.192 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.525 -7.297 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.100 -8.392 11.210 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.317 -10.586 10.844 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.313 -11.445 11.476 1.00 0.00 C ATOM 1743 C ALA A 119 -1.787 -12.477 10.474 1.00 0.00 C ATOM 1744 O ALA A 119 -0.644 -12.931 10.574 1.00 0.00 O ATOM 1745 CB ALA A 119 -2.898 -12.134 12.698 1.00 0.00 C ATOM 0 H ALA A 119 -4.271 -10.765 11.157 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.478 -10.824 11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.139 -12.769 13.156 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.225 -11.383 13.417 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.749 -12.745 12.398 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.652 -12.834 9.506 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.318 -13.799 8.448 1.00 0.00 C ATOM 1753 C ALA A 120 -1.337 -13.205 7.433 1.00 0.00 C ATOM 1754 O ALA A 120 -0.370 -13.861 7.039 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.586 -14.264 7.738 1.00 0.00 C ATOM 0 H ALA A 120 -3.599 -12.461 9.438 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.835 -14.654 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.325 -14.978 6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.252 -14.741 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.089 -13.406 7.292 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.599 -11.951 7.023 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.755 -11.237 6.055 1.00 0.00 C ATOM 1763 C ALA A 121 0.660 -10.966 6.589 1.00 0.00 C ATOM 1764 O ALA A 121 1.633 -11.065 5.836 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.426 -9.928 5.641 1.00 0.00 C ATOM 0 H ALA A 121 -2.398 -11.409 7.353 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.645 -11.884 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.793 -9.406 4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.392 -10.143 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.572 -9.300 6.520 1.00 0.00 H new ATOM 1771 N ILE A 122 0.767 -10.626 7.889 1.00 0.00 N ATOM 1772 CA ILE A 122 2.074 -10.343 8.520 1.00 0.00 C ATOM 1773 C ILE A 122 2.926 -11.614 8.691 1.00 0.00 C ATOM 1774 O ILE A 122 4.130 -11.595 8.419 1.00 0.00 O ATOM 1775 CB ILE A 122 1.915 -9.597 9.886 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.294 -8.211 9.652 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.265 -9.443 10.608 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.419 -7.713 10.783 1.00 0.00 C ATOM 0 H ILE A 122 -0.030 -10.541 8.520 1.00 0.00 H new ATOM 0 HA ILE A 122 2.604 -9.680 7.836 1.00 0.00 H new ATOM 0 HB ILE A 122 1.260 -10.195 10.520 1.00 0.00 H new ATOM 0 HG12 ILE A 122 2.096 -7.491 9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.701 -8.243 8.738 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.115 -8.920 11.553 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.688 -10.429 10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.949 -8.871 9.982 1.00 0.00 H new ATOM 0 HD11 ILE A 122 0.024 -6.729 10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.407 -8.407 10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.009 -7.644 11.697 1.00 0.00 H new ATOM 1790 N ASP A 123 2.294 -12.703 9.138 1.00 0.00 N ATOM 1791 CA ASP A 123 2.986 -13.982 9.364 1.00 0.00 C ATOM 1792 C ASP A 123 3.396 -14.682 8.057 1.00 0.00 C ATOM 1793 O ASP A 123 4.423 -15.365 8.017 1.00 0.00 O ATOM 1794 CB ASP A 123 2.095 -14.913 10.193 1.00 0.00 C ATOM 1795 CG ASP A 123 2.895 -15.854 11.078 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.232 -16.964 10.615 1.00 0.00 O ATOM 1797 OD2 ASP A 123 3.186 -15.478 12.234 1.00 0.00 O ATOM 0 H ASP A 123 1.297 -12.727 9.353 1.00 0.00 H new ATOM 0 HA ASP A 123 3.905 -13.755 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.429 -14.314 10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.465 -15.498 9.523 1.00 0.00 H new ATOM 1802 N ASN A 124 2.591 -14.506 7.000 1.00 0.00 N ATOM 1803 CA ASN A 124 2.845 -15.152 5.704 1.00 0.00 C ATOM 1804 C ASN A 124 3.918 -14.455 4.853 1.00 0.00 C ATOM 1805 O ASN A 124 4.833 -15.126 4.364 1.00 0.00 O ATOM 1806 CB ASN A 124 1.545 -15.261 4.903 1.00 0.00 C ATOM 1807 CG ASN A 124 0.547 -16.247 5.499 1.00 0.00 C ATOM 1808 OD1 ASN A 124 0.924 -17.232 6.138 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.737 -15.983 5.290 1.00 0.00 N ATOM 0 H ASN A 124 1.756 -13.920 7.017 1.00 0.00 H new ATOM 0 HA ASN A 124 3.235 -16.142 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.080 -14.277 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.780 -15.565 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.453 -16.606 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.008 -15.157 4.756 1.00 0.00 H new ATOM 1816 N MET A 125 3.818 -13.125 4.673 1.00 0.00 N ATOM 1817 CA MET A 125 4.783 -12.399 3.842 1.00 0.00 C ATOM 1818 C MET A 125 5.255 -11.099 4.503 1.00 0.00 C ATOM 1819 O MET A 125 5.014 -9.998 3.992 1.00 0.00 O ATOM 1820 CB MET A 125 4.185 -12.114 2.451 1.00 0.00 C ATOM 1821 CG MET A 125 4.023 -13.353 1.581 1.00 0.00 C ATOM 1822 SD MET A 125 3.438 -12.964 -0.080 1.00 0.00 S ATOM 1823 CE MET A 125 3.232 -14.607 -0.761 1.00 0.00 C ATOM 0 H MET A 125 3.089 -12.543 5.086 1.00 0.00 H new ATOM 0 HA MET A 125 5.659 -13.037 3.729 1.00 0.00 H new ATOM 0 HB2 MET A 125 3.211 -11.640 2.576 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.823 -11.399 1.932 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.979 -13.872 1.513 1.00 0.00 H new ATOM 0 HG3 MET A 125 3.322 -14.038 2.058 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.874 -14.533 -1.788 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.189 -15.129 -0.747 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.508 -15.161 -0.163 1.00 0.00 H new ATOM 1833 N ASN A 126 5.933 -11.236 5.650 1.00 0.00 N ATOM 1834 CA ASN A 126 6.483 -10.079 6.385 1.00 0.00 C ATOM 1835 C ASN A 126 7.661 -9.447 5.620 1.00 0.00 C ATOM 1836 O ASN A 126 7.850 -8.229 5.648 1.00 0.00 O ATOM 1837 CB ASN A 126 6.913 -10.482 7.810 1.00 0.00 C ATOM 1838 CG ASN A 126 7.836 -11.697 7.859 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.931 -11.682 7.298 1.00 0.00 O ATOM 1840 ND2 ASN A 126 7.391 -12.751 8.532 1.00 0.00 N ATOM 0 H ASN A 126 6.116 -12.136 6.093 1.00 0.00 H new ATOM 0 HA ASN A 126 5.693 -9.332 6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.416 -9.637 8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 126 6.022 -10.691 8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 126 7.964 -13.592 8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.476 -12.720 8.982 1.00 0.00 H new ATOM 1847 N GLU A 127 8.442 -10.307 4.950 1.00 0.00 N ATOM 1848 CA GLU A 127 9.596 -9.891 4.147 1.00 0.00 C ATOM 1849 C GLU A 127 9.696 -10.767 2.894 1.00 0.00 C ATOM 1850 O GLU A 127 10.494 -11.711 2.823 1.00 0.00 O ATOM 1851 CB GLU A 127 10.893 -9.953 4.972 1.00 0.00 C ATOM 1852 CG GLU A 127 11.014 -8.825 5.982 1.00 0.00 C ATOM 1853 CD GLU A 127 12.243 -8.954 6.859 1.00 0.00 C ATOM 1854 OE1 GLU A 127 13.305 -8.419 6.477 1.00 0.00 O ATOM 1855 OE2 GLU A 127 12.145 -9.592 7.929 1.00 0.00 O ATOM 0 H GLU A 127 8.288 -11.315 4.951 1.00 0.00 H new ATOM 0 HA GLU A 127 9.456 -8.855 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.937 -10.908 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.748 -9.920 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.048 -7.872 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.124 -8.809 6.611 1.00 0.00 H new ATOM 1862 N SER A 128 8.853 -10.441 1.917 1.00 0.00 N ATOM 1863 CA SER A 128 8.786 -11.173 0.649 1.00 0.00 C ATOM 1864 C SER A 128 9.080 -10.255 -0.538 1.00 0.00 C ATOM 1865 O SER A 128 9.013 -9.031 -0.413 1.00 0.00 O ATOM 1866 CB SER A 128 7.405 -11.817 0.488 1.00 0.00 C ATOM 1867 OG SER A 128 7.131 -12.708 1.555 1.00 0.00 O ATOM 0 H SER A 128 8.196 -9.663 1.979 1.00 0.00 H new ATOM 0 HA SER A 128 9.547 -11.953 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.640 -11.041 0.452 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.359 -12.354 -0.459 1.00 0.00 H new ATOM 0 HG SER A 128 7.140 -13.630 1.222 1.00 0.00 H new ATOM 1873 N GLU A 129 9.430 -10.856 -1.685 1.00 0.00 N ATOM 1874 CA GLU A 129 9.731 -10.099 -2.897 1.00 0.00 C ATOM 1875 C GLU A 129 8.463 -9.893 -3.739 1.00 0.00 C ATOM 1876 O GLU A 129 7.849 -10.856 -4.212 1.00 0.00 O ATOM 1877 CB GLU A 129 10.808 -10.832 -3.706 1.00 0.00 C ATOM 1878 CG GLU A 129 11.575 -9.939 -4.669 1.00 0.00 C ATOM 1879 CD GLU A 129 12.563 -10.709 -5.525 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.569 -11.204 -4.973 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.330 -10.817 -6.747 1.00 0.00 O ATOM 0 H GLU A 129 9.510 -11.867 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 129 10.107 -9.115 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.514 -11.295 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.338 -11.638 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.869 -9.419 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.109 -9.176 -4.103 1.00 0.00 H new ATOM 1888 N LEU A 130 8.090 -8.623 -3.902 1.00 0.00 N ATOM 1889 CA LEU A 130 6.917 -8.234 -4.682 1.00 0.00 C ATOM 1890 C LEU A 130 7.304 -7.156 -5.695 1.00 0.00 C ATOM 1891 O LEU A 130 7.965 -6.176 -5.342 1.00 0.00 O ATOM 1892 CB LEU A 130 5.801 -7.731 -3.746 1.00 0.00 C ATOM 1893 CG LEU A 130 4.409 -7.566 -4.379 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.635 -8.878 -4.344 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.630 -6.469 -3.670 1.00 0.00 C ATOM 0 H LEU A 130 8.594 -7.835 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 130 6.541 -9.101 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.717 -8.424 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.107 -6.769 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 130 4.542 -7.280 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.654 -8.734 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.183 -9.639 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.513 -9.201 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.647 -6.365 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.512 -6.728 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.171 -5.526 -3.753 1.00 0.00 H new ATOM 1907 N PHE A 131 6.886 -7.350 -6.964 1.00 0.00 N ATOM 1908 CA PHE A 131 7.178 -6.414 -8.083 1.00 0.00 C ATOM 1909 C PHE A 131 8.691 -6.318 -8.384 1.00 0.00 C ATOM 1910 O PHE A 131 9.136 -5.414 -9.103 1.00 0.00 O ATOM 1911 CB PHE A 131 6.596 -5.008 -7.806 1.00 0.00 C ATOM 1912 CG PHE A 131 6.035 -4.331 -9.027 1.00 0.00 C ATOM 1913 CD1 PHE A 131 6.855 -3.591 -9.864 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.687 -4.433 -9.334 1.00 0.00 C ATOM 1915 CE1 PHE A 131 6.342 -2.967 -10.986 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.169 -3.811 -10.453 1.00 0.00 C ATOM 1917 CZ PHE A 131 4.998 -3.077 -11.280 1.00 0.00 C ATOM 0 H PHE A 131 6.335 -8.160 -7.247 1.00 0.00 H new ATOM 0 HA PHE A 131 6.690 -6.825 -8.967 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.810 -5.092 -7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.378 -4.379 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 131 7.907 -3.501 -9.637 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.035 -5.005 -8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 131 6.992 -2.394 -11.631 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.117 -3.898 -10.682 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.595 -2.590 -12.155 1.00 0.00 H new ATOM 1927 N GLY A 132 9.465 -7.270 -7.842 1.00 0.00 N ATOM 1928 CA GLY A 132 10.911 -7.290 -8.043 1.00 0.00 C ATOM 1929 C GLY A 132 11.681 -6.625 -6.909 1.00 0.00 C ATOM 1930 O GLY A 132 12.906 -6.484 -6.989 1.00 0.00 O ATOM 0 H GLY A 132 9.110 -8.031 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.244 -8.323 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.149 -6.786 -8.980 1.00 0.00 H new ATOM 1934 N ARG A 133 10.959 -6.220 -5.857 1.00 0.00 N ATOM 1935 CA ARG A 133 11.560 -5.561 -4.692 1.00 0.00 C ATOM 1936 C ARG A 133 11.145 -6.263 -3.400 1.00 0.00 C ATOM 1937 O ARG A 133 10.115 -6.937 -3.361 1.00 0.00 O ATOM 1938 CB ARG A 133 11.131 -4.090 -4.624 1.00 0.00 C ATOM 1939 CG ARG A 133 11.648 -3.223 -5.763 1.00 0.00 C ATOM 1940 CD ARG A 133 11.203 -1.777 -5.597 1.00 0.00 C ATOM 1941 NE ARG A 133 12.008 -1.061 -4.598 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.671 0.083 -4.827 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.642 0.672 -6.021 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.368 0.642 -3.847 1.00 0.00 N ATOM 0 H ARG A 133 9.948 -6.339 -5.790 1.00 0.00 H new ATOM 0 HA ARG A 133 12.643 -5.618 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.042 -4.043 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.475 -3.669 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.737 -3.270 -5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.284 -3.612 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.276 -1.264 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.154 -1.753 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 133 12.067 -1.463 -3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.108 0.254 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.153 1.541 -6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.397 0.202 -2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.875 1.512 -4.013 1.00 0.00 H new ATOM 1958 N THR A 134 11.953 -6.092 -2.344 1.00 0.00 N ATOM 1959 CA THR A 134 11.665 -6.688 -1.034 1.00 0.00 C ATOM 1960 C THR A 134 10.694 -5.794 -0.257 1.00 0.00 C ATOM 1961 O THR A 134 10.880 -4.574 -0.203 1.00 0.00 O ATOM 1962 CB THR A 134 12.958 -6.895 -0.202 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.067 -7.175 -1.068 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.800 -8.043 0.792 1.00 0.00 C ATOM 0 H THR A 134 12.813 -5.544 -2.373 1.00 0.00 H new ATOM 0 HA THR A 134 11.214 -7.665 -1.206 1.00 0.00 H new ATOM 0 HB THR A 134 13.143 -5.974 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.877 -7.302 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.723 -8.163 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.980 -7.822 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.584 -8.965 0.252 1.00 0.00 H new ATOM 1972 N ILE A 135 9.666 -6.406 0.340 1.00 0.00 N ATOM 1973 CA ILE A 135 8.657 -5.656 1.096 1.00 0.00 C ATOM 1974 C ILE A 135 8.624 -6.066 2.570 1.00 0.00 C ATOM 1975 O ILE A 135 8.962 -7.201 2.916 1.00 0.00 O ATOM 1976 CB ILE A 135 7.225 -5.785 0.481 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.778 -7.259 0.346 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.165 -5.084 -0.876 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.357 -7.521 0.807 1.00 0.00 C ATOM 0 H ILE A 135 9.511 -7.414 0.315 1.00 0.00 H new ATOM 0 HA ILE A 135 8.960 -4.611 1.030 1.00 0.00 H new ATOM 0 HB ILE A 135 6.532 -5.299 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.872 -7.562 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.457 -7.887 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.162 -5.182 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.404 -4.028 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.886 -5.541 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.122 -8.578 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.260 -7.252 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.666 -6.921 0.214 1.00 0.00 H new ATOM 1991 N ARG A 136 8.212 -5.121 3.423 1.00 0.00 N ATOM 1992 CA ARG A 136 8.108 -5.357 4.865 1.00 0.00 C ATOM 1993 C ARG A 136 6.683 -5.076 5.318 1.00 0.00 C ATOM 1994 O ARG A 136 6.104 -4.058 4.926 1.00 0.00 O ATOM 1995 CB ARG A 136 9.057 -4.443 5.658 1.00 0.00 C ATOM 1996 CG ARG A 136 10.515 -4.512 5.235 1.00 0.00 C ATOM 1997 CD ARG A 136 11.425 -3.848 6.255 1.00 0.00 C ATOM 1998 NE ARG A 136 12.812 -3.766 5.782 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.832 -4.486 6.273 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.647 -5.356 7.265 1.00 0.00 N ATOM 2001 NH2 ARG A 136 15.046 -4.331 5.766 1.00 0.00 N ATOM 0 H ARG A 136 7.944 -4.180 3.135 1.00 0.00 H new ATOM 0 HA ARG A 136 8.382 -6.395 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.713 -3.413 5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.988 -4.701 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.809 -5.554 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.637 -4.026 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.056 -2.846 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.393 -4.409 7.189 1.00 0.00 H new ATOM 0 HE ARG A 136 13.015 -3.114 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.717 -5.484 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.435 -5.894 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.201 -3.667 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.826 -4.875 6.135 1.00 0.00 H new ATOM 2015 N VAL A 137 6.118 -5.969 6.135 1.00 0.00 N ATOM 2016 CA VAL A 137 4.757 -5.770 6.634 1.00 0.00 C ATOM 2017 C VAL A 137 4.703 -5.956 8.156 1.00 0.00 C ATOM 2018 O VAL A 137 5.266 -6.911 8.701 1.00 0.00 O ATOM 2019 CB VAL A 137 3.676 -6.651 5.892 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.151 -7.145 4.528 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.208 -7.829 6.718 1.00 0.00 C ATOM 0 H VAL A 137 6.573 -6.822 6.460 1.00 0.00 H new ATOM 0 HA VAL A 137 4.490 -4.738 6.405 1.00 0.00 H new ATOM 0 HB VAL A 137 2.830 -5.980 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.367 -7.745 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.378 -6.291 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.047 -7.753 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.466 -8.396 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.057 -8.472 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.762 -7.469 7.645 1.00 0.00 H new ATOM 2031 N ASN A 138 4.034 -5.008 8.822 1.00 0.00 N ATOM 2032 CA ASN A 138 3.873 -5.002 10.285 1.00 0.00 C ATOM 2033 C ASN A 138 2.563 -4.303 10.665 1.00 0.00 C ATOM 2034 O ASN A 138 1.891 -3.735 9.806 1.00 0.00 O ATOM 2035 CB ASN A 138 5.060 -4.295 10.967 1.00 0.00 C ATOM 2036 CG ASN A 138 6.346 -5.101 10.903 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.279 -4.742 10.184 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.404 -6.191 11.661 1.00 0.00 N ATOM 0 H ASN A 138 3.585 -4.217 8.360 1.00 0.00 H new ATOM 0 HA ASN A 138 3.845 -6.036 10.629 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.220 -3.327 10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.810 -4.102 12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.246 -6.767 11.662 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.607 -6.451 12.242 1.00 0.00 H new ATOM 2045 N LEU A 139 2.196 -4.357 11.956 1.00 0.00 N ATOM 2046 CA LEU A 139 0.968 -3.715 12.447 1.00 0.00 C ATOM 2047 C LEU A 139 1.109 -2.191 12.477 1.00 0.00 C ATOM 2048 O LEU A 139 2.098 -1.660 12.992 1.00 0.00 O ATOM 2049 CB LEU A 139 0.626 -4.226 13.847 1.00 0.00 C ATOM 2050 CG LEU A 139 0.166 -5.681 13.911 1.00 0.00 C ATOM 2051 CD1 LEU A 139 1.055 -6.487 14.844 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.286 -5.755 14.353 1.00 0.00 C ATOM 0 H LEU A 139 2.733 -4.839 12.677 1.00 0.00 H new ATOM 0 HA LEU A 139 0.163 -3.972 11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.503 -4.110 14.484 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.158 -3.595 14.266 1.00 0.00 H new ATOM 0 HG LEU A 139 0.246 -6.113 12.914 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.709 -7.520 14.874 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.083 -6.459 14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.012 -6.061 15.846 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.601 -6.798 14.394 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -1.389 -5.305 15.341 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.911 -5.215 13.642 1.00 0.00 H new ATOM 2064 N ALA A 140 0.106 -1.503 11.920 1.00 0.00 N ATOM 2065 CA ALA A 140 0.095 -0.042 11.863 1.00 0.00 C ATOM 2066 C ALA A 140 -0.794 0.544 12.956 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.370 0.430 10.492 1.00 0.00 C ATOM 0 H ALA A 140 -0.714 -1.942 11.500 1.00 0.00 H new ATOM 0 HA ALA A 140 1.113 0.311 12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.373 1.520 10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.307 0.049 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.377 0.059 10.302 1.00 0.00 H new