USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -174:sc= 0.471 (180deg=-0.0409) USER MOD Single : A 61 HIS : no HD1:sc= -5.65! C(o=-5.6!,f=-7.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.35) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0844 K(o=-0.084,f=-2!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -113:sc= 0.249 USER MOD Single : A 90 CYS SG : rot 180:sc= -0.0175 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0149 USER MOD Single : A 100 LYS NZ :NH3+ 155:sc= 0.0725 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-3.1!) USER MOD Single : A 102 LYS NZ :NH3+ -161:sc= -0.0629 (180deg=-0.352) USER MOD Single : A 103 MET CE :methyl -166:sc= -0.0486 (180deg=-0.408) USER MOD Single : A 105 GLN : amide:sc= 0.0898 K(o=0.09,f=-0.69) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.869 -9.413 -11.546 1.00 0.00 N ATOM 782 CA ARG A 60 3.822 -8.392 -11.126 1.00 0.00 C ATOM 783 C ARG A 60 4.185 -8.560 -9.654 1.00 0.00 C ATOM 784 O ARG A 60 3.321 -8.817 -8.816 1.00 0.00 O ATOM 785 CB ARG A 60 3.244 -6.996 -11.364 1.00 0.00 C ATOM 786 CG ARG A 60 4.302 -5.934 -11.616 1.00 0.00 C ATOM 787 CD ARG A 60 3.699 -4.683 -12.237 1.00 0.00 C ATOM 788 NE ARG A 60 3.672 -4.755 -13.696 1.00 0.00 N ATOM 789 CZ ARG A 60 2.993 -3.908 -14.461 1.00 0.00 C ATOM 790 NH1 ARG A 60 2.289 -2.929 -13.909 1.00 0.00 N ATOM 791 NH2 ARG A 60 3.018 -4.038 -15.781 1.00 0.00 N ATOM 0 HA ARG A 60 4.728 -8.509 -11.721 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.568 -7.033 -12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.649 -6.706 -10.498 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.791 -5.676 -10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.071 -6.335 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.685 -4.545 -11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.275 -3.811 -11.928 1.00 0.00 H new ATOM 0 HE ARG A 60 4.204 -5.496 -14.152 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.268 -2.825 -12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.768 -2.280 -14.499 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.559 -4.789 -16.209 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.496 -3.387 -16.368 1.00 0.00 H new ATOM 805 N HIS A 61 5.470 -8.413 -9.346 1.00 0.00 N ATOM 806 CA HIS A 61 5.948 -8.549 -7.975 1.00 0.00 C ATOM 807 C HIS A 61 6.029 -7.187 -7.291 1.00 0.00 C ATOM 808 O HIS A 61 6.773 -6.308 -7.722 1.00 0.00 O ATOM 809 CB HIS A 61 7.319 -9.225 -7.954 1.00 0.00 C ATOM 810 CG HIS A 61 7.568 -10.037 -6.721 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.663 -9.849 -5.904 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.855 -11.045 -6.166 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.613 -10.707 -4.901 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.526 -11.444 -5.036 1.00 0.00 N ATOM 0 H HIS A 61 6.198 -8.200 -10.027 1.00 0.00 H new ATOM 0 HA HIS A 61 5.238 -9.170 -7.429 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.410 -9.870 -8.828 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.093 -8.462 -8.039 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.931 -11.458 -6.542 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.338 -10.791 -4.105 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.232 -12.189 -4.404 1.00 0.00 H new ATOM 823 N GLY A 62 5.256 -7.021 -6.221 1.00 0.00 N ATOM 824 CA GLY A 62 5.255 -5.764 -5.495 1.00 0.00 C ATOM 825 C GLY A 62 5.558 -5.945 -4.021 1.00 0.00 C ATOM 826 O GLY A 62 5.544 -7.065 -3.510 1.00 0.00 O ATOM 0 H GLY A 62 4.631 -7.734 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.993 -5.094 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.283 -5.284 -5.607 1.00 0.00 H new ATOM 830 N VAL A 63 5.835 -4.841 -3.336 1.00 0.00 N ATOM 831 CA VAL A 63 6.144 -4.882 -1.911 1.00 0.00 C ATOM 832 C VAL A 63 5.555 -3.678 -1.186 1.00 0.00 C ATOM 833 O VAL A 63 5.681 -2.542 -1.643 1.00 0.00 O ATOM 834 CB VAL A 63 7.665 -4.922 -1.668 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.988 -4.500 -0.242 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.215 -6.309 -1.960 1.00 0.00 C ATOM 0 H VAL A 63 5.852 -3.906 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 63 5.696 -5.794 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 63 8.143 -4.217 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.067 -4.534 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.629 -3.485 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.500 -5.179 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.290 -6.319 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.733 -7.036 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.016 -6.568 -3.000 1.00 0.00 H new ATOM 846 N ALA A 64 4.913 -3.933 -0.051 1.00 0.00 N ATOM 847 CA ALA A 64 4.306 -2.870 0.740 1.00 0.00 C ATOM 848 C ALA A 64 5.371 -1.959 1.343 1.00 0.00 C ATOM 849 O ALA A 64 6.329 -2.430 1.956 1.00 0.00 O ATOM 850 CB ALA A 64 3.432 -3.460 1.836 1.00 0.00 C ATOM 0 H ALA A 64 4.800 -4.868 0.342 1.00 0.00 H new ATOM 0 HA ALA A 64 3.682 -2.269 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.985 -2.654 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.643 -4.063 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.040 -4.086 2.489 1.00 0.00 H new ATOM 856 N ILE A 65 5.196 -0.654 1.163 1.00 0.00 N ATOM 857 CA ILE A 65 6.142 0.322 1.690 1.00 0.00 C ATOM 858 C ILE A 65 5.534 1.108 2.847 1.00 0.00 C ATOM 859 O ILE A 65 6.245 1.771 3.603 1.00 0.00 O ATOM 860 CB ILE A 65 6.601 1.307 0.599 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.396 1.827 -0.189 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.601 0.639 -0.332 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.745 2.918 -1.176 1.00 0.00 C ATOM 0 H ILE A 65 4.409 -0.248 0.657 1.00 0.00 H new ATOM 0 HA ILE A 65 7.006 -0.238 2.049 1.00 0.00 H new ATOM 0 HB ILE A 65 7.091 2.154 1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.937 0.996 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.651 2.206 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.916 1.348 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.470 0.314 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.135 -0.224 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.843 3.238 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.177 3.766 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.467 2.538 -1.899 1.00 0.00 H new ATOM 875 N TYR A 66 4.215 1.029 2.979 1.00 0.00 N ATOM 876 CA TYR A 66 3.510 1.733 4.044 1.00 0.00 C ATOM 877 C TYR A 66 2.421 0.854 4.652 1.00 0.00 C ATOM 878 O TYR A 66 1.745 0.107 3.946 1.00 0.00 O ATOM 879 CB TYR A 66 2.895 3.027 3.507 1.00 0.00 C ATOM 880 CG TYR A 66 3.912 3.994 2.945 1.00 0.00 C ATOM 881 CD1 TYR A 66 5.004 4.402 3.701 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.783 4.498 1.657 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.936 5.285 3.192 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.710 5.381 1.138 1.00 0.00 C ATOM 885 CZ TYR A 66 5.785 5.772 1.910 1.00 0.00 C ATOM 886 OH TYR A 66 6.711 6.651 1.398 1.00 0.00 O ATOM 0 H TYR A 66 3.612 0.485 2.362 1.00 0.00 H new ATOM 0 HA TYR A 66 4.232 1.976 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.172 2.780 2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.344 3.518 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.126 4.022 4.704 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.943 4.194 1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.778 5.593 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.594 5.763 0.134 1.00 0.00 H new ATOM 0 HH TYR A 66 6.458 6.896 0.483 1.00 0.00 H new ATOM 896 N ASN A 67 2.259 0.950 5.967 1.00 0.00 N ATOM 897 CA ASN A 67 1.253 0.163 6.672 1.00 0.00 C ATOM 898 C ASN A 67 -0.155 0.603 6.279 1.00 0.00 C ATOM 899 O ASN A 67 -0.627 1.659 6.700 1.00 0.00 O ATOM 900 CB ASN A 67 1.438 0.299 8.185 1.00 0.00 C ATOM 901 CG ASN A 67 2.524 -0.615 8.719 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.503 -0.156 9.308 1.00 0.00 O ATOM 903 ND2 ASN A 67 2.356 -1.916 8.514 1.00 0.00 N ATOM 0 H ASN A 67 2.811 1.564 6.566 1.00 0.00 H new ATOM 0 HA ASN A 67 1.381 -0.882 6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.686 1.333 8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.497 0.071 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.054 -2.580 8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.529 -2.252 8.021 1.00 0.00 H new ATOM 910 N PHE A 68 -0.820 -0.216 5.471 1.00 0.00 N ATOM 911 CA PHE A 68 -2.173 0.088 5.020 1.00 0.00 C ATOM 912 C PHE A 68 -3.206 -0.648 5.868 1.00 0.00 C ATOM 913 O PHE A 68 -3.199 -1.876 5.945 1.00 0.00 O ATOM 914 CB PHE A 68 -2.341 -0.293 3.548 1.00 0.00 C ATOM 915 CG PHE A 68 -3.731 -0.068 3.025 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.756 -0.944 3.345 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.013 1.019 2.213 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.036 -0.740 2.866 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.291 1.228 1.732 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.304 0.347 2.057 1.00 0.00 C ATOM 0 H PHE A 68 -0.444 -1.095 5.115 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.334 1.160 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.638 0.286 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.079 -1.343 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.552 -1.796 3.976 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.225 1.710 1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.826 -1.430 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.498 2.080 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.303 0.508 1.680 1.00 0.00 H new ATOM 930 N GLN A 69 -4.092 0.113 6.503 1.00 0.00 N ATOM 931 CA GLN A 69 -5.131 -0.467 7.347 1.00 0.00 C ATOM 932 C GLN A 69 -6.515 -0.016 6.893 1.00 0.00 C ATOM 933 O GLN A 69 -6.884 1.146 7.054 1.00 0.00 O ATOM 934 CB GLN A 69 -4.908 -0.075 8.808 1.00 0.00 C ATOM 935 CG GLN A 69 -5.867 -0.753 9.773 1.00 0.00 C ATOM 936 CD GLN A 69 -5.350 -2.090 10.267 1.00 0.00 C ATOM 937 OE1 GLN A 69 -4.315 -2.161 10.930 1.00 0.00 O ATOM 938 NE2 GLN A 69 -6.069 -3.158 9.946 1.00 0.00 N ATOM 0 H GLN A 69 -4.111 1.131 6.449 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.074 -1.552 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.885 -0.324 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.011 1.006 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.042 -0.098 10.626 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.829 -0.899 9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.921 -3.053 9.395 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.770 -4.084 10.251 1.00 0.00 H new ATOM 947 N GLY A 70 -7.278 -0.945 6.324 1.00 0.00 N ATOM 948 CA GLY A 70 -8.613 -0.623 5.855 1.00 0.00 C ATOM 949 C GLY A 70 -9.690 -1.068 6.823 1.00 0.00 C ATOM 950 O GLY A 70 -9.449 -1.172 8.026 1.00 0.00 O ATOM 0 H GLY A 70 -6.995 -1.914 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.690 0.453 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.779 -1.098 4.888 1.00 0.00 H new ATOM 954 N SER A 71 -10.883 -1.330 6.299 1.00 0.00 N ATOM 955 CA SER A 71 -12.004 -1.761 7.127 1.00 0.00 C ATOM 956 C SER A 71 -12.477 -3.153 6.719 1.00 0.00 C ATOM 957 O SER A 71 -12.801 -3.984 7.566 1.00 0.00 O ATOM 958 CB SER A 71 -13.159 -0.765 7.017 1.00 0.00 C ATOM 959 OG SER A 71 -12.804 0.491 7.568 1.00 0.00 O ATOM 0 H SER A 71 -11.099 -1.251 5.305 1.00 0.00 H new ATOM 0 HA SER A 71 -11.665 -1.800 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.438 -0.641 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.033 -1.159 7.535 1.00 0.00 H new ATOM 0 HG SER A 71 -13.559 1.110 7.484 1.00 0.00 H new ATOM 965 N GLY A 72 -12.515 -3.399 5.412 1.00 0.00 N ATOM 966 CA GLY A 72 -12.950 -4.690 4.913 1.00 0.00 C ATOM 967 C GLY A 72 -13.084 -4.713 3.403 1.00 0.00 C ATOM 968 O GLY A 72 -13.210 -3.666 2.769 1.00 0.00 O ATOM 0 H GLY A 72 -12.252 -2.727 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.238 -5.455 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.909 -4.946 5.364 1.00 0.00 H new ATOM 972 N ALA A 73 -13.055 -5.910 2.826 1.00 0.00 N ATOM 973 CA ALA A 73 -13.175 -6.065 1.382 1.00 0.00 C ATOM 974 C ALA A 73 -14.128 -5.029 0.796 1.00 0.00 C ATOM 975 O ALA A 73 -15.059 -4.564 1.454 1.00 0.00 O ATOM 976 CB ALA A 73 -13.644 -7.471 1.039 1.00 0.00 C ATOM 0 H ALA A 73 -12.949 -6.786 3.337 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.191 -5.905 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.729 -7.572 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.924 -8.197 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.616 -7.652 1.498 1.00 0.00 H new ATOM 982 N PRO A 74 -13.893 -4.656 -0.471 1.00 0.00 N ATOM 983 CA PRO A 74 -12.787 -5.202 -1.264 1.00 0.00 C ATOM 984 C PRO A 74 -11.427 -4.725 -0.768 1.00 0.00 C ATOM 985 O PRO A 74 -10.388 -5.143 -1.280 1.00 0.00 O ATOM 986 CB PRO A 74 -13.061 -4.666 -2.671 1.00 0.00 C ATOM 987 CG PRO A 74 -13.856 -3.424 -2.455 1.00 0.00 C ATOM 988 CD PRO A 74 -14.687 -3.673 -1.227 1.00 0.00 C ATOM 0 HA PRO A 74 -12.744 -6.290 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.133 -4.455 -3.202 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.613 -5.390 -3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.203 -2.562 -2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.488 -3.210 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.844 -2.758 -0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.673 -4.063 -1.481 1.00 0.00 H new ATOM 996 N GLN A 75 -11.440 -3.850 0.232 1.00 0.00 N ATOM 997 CA GLN A 75 -10.206 -3.316 0.797 1.00 0.00 C ATOM 998 C GLN A 75 -9.446 -4.396 1.559 1.00 0.00 C ATOM 999 O GLN A 75 -9.978 -5.007 2.487 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.512 -2.139 1.724 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.279 -1.014 1.047 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.163 -0.248 2.012 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -12.113 -0.463 3.223 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.979 0.654 1.478 1.00 0.00 N ATOM 0 H GLN A 75 -12.291 -3.496 0.668 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.580 -2.968 -0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.088 -2.499 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.575 -1.744 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.573 -0.326 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.893 -1.428 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.988 0.800 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.597 1.201 2.077 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.199 -4.626 1.163 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.364 -5.633 1.809 1.00 0.00 C ATOM 1015 C LEU A 76 -6.248 -4.978 2.617 1.00 0.00 C ATOM 1016 O LEU A 76 -5.653 -3.991 2.186 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.766 -6.576 0.764 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.574 -7.416 1.222 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.043 -8.603 2.048 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.761 -7.886 0.024 1.00 0.00 C ATOM 0 H LEU A 76 -7.744 -4.129 0.398 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.992 -6.207 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.550 -7.251 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.458 -5.983 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.935 -6.794 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.180 -9.189 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.581 -8.245 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.704 -9.227 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.916 -8.483 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.391 -8.491 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.393 -7.021 -0.528 1.00 0.00 H new ATOM 1032 N SER A 77 -5.969 -5.535 3.792 1.00 0.00 N ATOM 1033 CA SER A 77 -4.926 -5.004 4.661 1.00 0.00 C ATOM 1034 C SER A 77 -3.542 -5.380 4.140 1.00 0.00 C ATOM 1035 O SER A 77 -3.381 -6.376 3.433 1.00 0.00 O ATOM 1036 CB SER A 77 -5.106 -5.528 6.087 1.00 0.00 C ATOM 1037 OG SER A 77 -5.107 -6.944 6.114 1.00 0.00 O ATOM 0 H SER A 77 -6.451 -6.354 4.163 1.00 0.00 H new ATOM 0 HA SER A 77 -5.010 -3.917 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.304 -5.150 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.042 -5.153 6.500 1.00 0.00 H new ATOM 0 HG SER A 77 -5.222 -7.254 7.037 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.545 -4.576 4.495 1.00 0.00 N ATOM 1044 CA LEU A 78 -1.174 -4.822 4.064 1.00 0.00 C ATOM 1045 C LEU A 78 -0.180 -4.388 5.137 1.00 0.00 C ATOM 1046 O LEU A 78 -0.477 -3.518 5.955 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.887 -4.080 2.758 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.365 -4.767 1.477 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.053 -3.907 0.262 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.727 -6.141 1.339 1.00 0.00 C ATOM 0 H LEU A 78 -2.661 -3.749 5.080 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.059 -5.893 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.351 -3.095 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.189 -3.922 2.682 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.446 -4.895 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.400 -4.412 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.558 -2.946 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.023 -3.746 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.078 -6.615 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.357 -6.036 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.002 -6.758 2.195 1.00 0.00 H new ATOM 1062 N GLN A 79 1.000 -4.999 5.125 1.00 0.00 N ATOM 1063 CA GLN A 79 2.038 -4.674 6.096 1.00 0.00 C ATOM 1064 C GLN A 79 3.369 -4.406 5.402 1.00 0.00 C ATOM 1065 O GLN A 79 3.778 -5.153 4.512 1.00 0.00 O ATOM 1066 CB GLN A 79 2.197 -5.813 7.105 1.00 0.00 C ATOM 1067 CG GLN A 79 1.218 -5.738 8.266 1.00 0.00 C ATOM 1068 CD GLN A 79 0.949 -7.092 8.891 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.825 -7.956 8.931 1.00 0.00 O ATOM 1070 NE2 GLN A 79 -0.269 -7.285 9.384 1.00 0.00 N ATOM 0 H GLN A 79 1.261 -5.721 4.454 1.00 0.00 H new ATOM 0 HA GLN A 79 1.735 -3.769 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.065 -6.765 6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.214 -5.801 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.612 -5.063 9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.278 -5.310 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.965 -6.541 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.508 -8.177 9.817 1.00 0.00 H new ATOM 1079 N ILE A 80 4.040 -3.335 5.813 1.00 0.00 N ATOM 1080 CA ILE A 80 5.325 -2.970 5.231 1.00 0.00 C ATOM 1081 C ILE A 80 6.253 -4.177 5.142 1.00 0.00 C ATOM 1082 O ILE A 80 6.463 -4.885 6.126 1.00 0.00 O ATOM 1083 CB ILE A 80 6.019 -1.863 6.047 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.103 -0.644 6.176 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.339 -1.474 5.398 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.694 0.470 7.012 1.00 0.00 C ATOM 0 H ILE A 80 3.715 -2.705 6.547 1.00 0.00 H new ATOM 0 HA ILE A 80 5.121 -2.597 4.227 1.00 0.00 H new ATOM 0 HB ILE A 80 6.227 -2.245 7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.879 -0.261 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.157 -0.956 6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.817 -0.691 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.993 -2.345 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.154 -1.107 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.991 1.301 7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.892 0.103 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.626 0.809 6.560 1.00 0.00 H new ATOM 1098 N GLY A 81 6.807 -4.405 3.955 1.00 0.00 N ATOM 1099 CA GLY A 81 7.707 -5.527 3.760 1.00 0.00 C ATOM 1100 C GLY A 81 6.977 -6.790 3.348 1.00 0.00 C ATOM 1101 O GLY A 81 7.520 -7.890 3.453 1.00 0.00 O ATOM 0 H GLY A 81 6.649 -3.833 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.442 -5.271 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.256 -5.713 4.683 1.00 0.00 H new ATOM 1105 N ASP A 82 5.744 -6.634 2.881 1.00 0.00 N ATOM 1106 CA ASP A 82 4.938 -7.772 2.453 1.00 0.00 C ATOM 1107 C ASP A 82 4.746 -7.763 0.940 1.00 0.00 C ATOM 1108 O ASP A 82 4.395 -6.739 0.354 1.00 0.00 O ATOM 1109 CB ASP A 82 3.579 -7.753 3.153 1.00 0.00 C ATOM 1110 CG ASP A 82 3.702 -7.852 4.661 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.734 -7.403 5.202 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.767 -8.378 5.300 1.00 0.00 O ATOM 0 H ASP A 82 5.280 -5.730 2.789 1.00 0.00 H new ATOM 0 HA ASP A 82 5.466 -8.685 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.053 -6.834 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.973 -8.581 2.786 1.00 0.00 H new ATOM 1117 N VAL A 83 4.979 -8.912 0.312 1.00 0.00 N ATOM 1118 CA VAL A 83 4.832 -9.037 -1.133 1.00 0.00 C ATOM 1119 C VAL A 83 3.468 -9.612 -1.498 1.00 0.00 C ATOM 1120 O VAL A 83 2.952 -10.497 -0.815 1.00 0.00 O ATOM 1121 CB VAL A 83 5.932 -9.931 -1.734 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.798 -9.997 -3.248 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.309 -9.422 -1.334 1.00 0.00 C ATOM 0 H VAL A 83 5.270 -9.769 0.782 1.00 0.00 H new ATOM 0 HA VAL A 83 4.923 -8.034 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 83 5.813 -10.940 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.584 -10.633 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.824 -10.411 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.890 -8.994 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.075 -10.065 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.441 -8.404 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.399 -9.432 -0.248 1.00 0.00 H new ATOM 1133 N VAL A 84 2.888 -9.105 -2.582 1.00 0.00 N ATOM 1134 CA VAL A 84 1.585 -9.570 -3.040 1.00 0.00 C ATOM 1135 C VAL A 84 1.598 -9.856 -4.537 1.00 0.00 C ATOM 1136 O VAL A 84 2.109 -9.061 -5.327 1.00 0.00 O ATOM 1137 CB VAL A 84 0.482 -8.538 -2.736 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.291 -8.387 -1.234 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.815 -7.199 -3.377 1.00 0.00 C ATOM 0 H VAL A 84 3.301 -8.372 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 84 1.370 -10.491 -2.499 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.455 -8.896 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.492 -7.654 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.004 -9.347 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.224 -8.051 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.026 -6.482 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.762 -6.832 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.896 -7.323 -4.457 1.00 0.00 H new ATOM 1149 N ARG A 85 1.034 -10.997 -4.921 1.00 0.00 N ATOM 1150 CA ARG A 85 0.982 -11.389 -6.324 1.00 0.00 C ATOM 1151 C ARG A 85 -0.093 -10.603 -7.069 1.00 0.00 C ATOM 1152 O ARG A 85 -1.279 -10.925 -6.989 1.00 0.00 O ATOM 1153 CB ARG A 85 0.709 -12.889 -6.447 1.00 0.00 C ATOM 1154 CG ARG A 85 1.932 -13.754 -6.187 1.00 0.00 C ATOM 1155 CD ARG A 85 3.106 -13.335 -7.058 1.00 0.00 C ATOM 1156 NE ARG A 85 3.996 -14.455 -7.352 1.00 0.00 N ATOM 1157 CZ ARG A 85 5.125 -14.335 -8.041 1.00 0.00 C ATOM 1158 NH1 ARG A 85 5.501 -13.150 -8.503 1.00 0.00 N ATOM 1159 NH2 ARG A 85 5.883 -15.401 -8.267 1.00 0.00 N ATOM 0 H ARG A 85 0.607 -11.666 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 85 1.949 -11.165 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.077 -13.165 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.331 -13.100 -7.447 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.213 -13.682 -5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.688 -14.799 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.733 -12.914 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.668 -12.548 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 85 3.736 -15.380 -7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.923 -12.328 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.369 -13.061 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.599 -16.314 -7.911 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.750 -15.307 -8.796 1.00 0.00 H new ATOM 1173 N ILE A 86 0.330 -9.571 -7.791 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.597 -8.740 -8.550 1.00 0.00 C ATOM 1175 C ILE A 86 -1.155 -9.495 -9.752 1.00 0.00 C ATOM 1176 O ILE A 86 -0.406 -9.925 -10.628 1.00 0.00 O ATOM 1177 CB ILE A 86 0.079 -7.446 -9.040 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.541 -6.603 -7.848 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -0.873 -6.650 -9.920 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.726 -5.715 -8.159 1.00 0.00 C ATOM 0 H ILE A 86 1.308 -9.290 -7.867 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.413 -8.481 -7.876 1.00 0.00 H new ATOM 0 HB ILE A 86 0.953 -7.713 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.289 -5.983 -7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.801 -7.266 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.380 -5.739 -10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.158 -7.250 -10.784 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.765 -6.390 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.999 -5.147 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.570 -6.330 -8.469 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.464 -5.027 -8.963 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.474 -9.650 -9.785 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.133 -10.352 -10.881 1.00 0.00 C ATOM 1194 C GLN A 87 -3.822 -9.369 -11.821 1.00 0.00 C ATOM 1195 O GLN A 87 -3.761 -9.516 -13.041 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.152 -11.353 -10.334 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.589 -12.268 -9.258 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.438 -13.505 -9.042 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.637 -13.411 -8.778 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -3.819 -14.675 -9.151 1.00 0.00 N ATOM 0 H GLN A 87 -3.108 -9.300 -9.067 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.371 -10.891 -11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.003 -10.807 -9.926 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.529 -11.962 -11.156 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.579 -12.569 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.512 -11.716 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.824 -14.707 -9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.339 -15.542 -9.014 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.478 -8.367 -11.244 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.180 -7.360 -12.032 1.00 0.00 C ATOM 1211 C GLU A 88 -4.949 -5.964 -11.462 1.00 0.00 C ATOM 1212 O GLU A 88 -4.632 -5.807 -10.282 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.679 -7.665 -12.071 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.437 -6.860 -13.113 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.879 -5.505 -12.595 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -7.472 -5.139 -11.472 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -8.630 -4.811 -13.311 1.00 0.00 O ATOM 0 H GLU A 88 -4.538 -8.231 -10.235 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.784 -7.389 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.820 -8.727 -12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.107 -7.466 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.805 -6.721 -13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.312 -7.424 -13.437 1.00 0.00 H new ATOM 1224 N THR A 89 -5.110 -4.951 -12.308 1.00 0.00 N ATOM 1225 CA THR A 89 -4.918 -3.568 -11.890 1.00 0.00 C ATOM 1226 C THR A 89 -6.077 -2.689 -12.347 1.00 0.00 C ATOM 1227 O THR A 89 -6.234 -2.424 -13.539 1.00 0.00 O ATOM 1228 CB THR A 89 -3.602 -2.992 -12.444 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.505 -3.837 -12.080 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.362 -1.585 -11.916 1.00 0.00 C ATOM 0 H THR A 89 -5.373 -5.063 -13.287 1.00 0.00 H new ATOM 0 HA THR A 89 -4.875 -3.570 -10.801 1.00 0.00 H new ATOM 0 HB THR A 89 -3.680 -2.947 -13.530 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.918 -3.360 -11.457 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.427 -1.199 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.184 -0.937 -12.220 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.303 -1.610 -10.828 1.00 0.00 H new ATOM 1238 N CYS A 90 -6.885 -2.241 -11.393 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.031 -1.391 -11.698 1.00 0.00 C ATOM 1240 C CYS A 90 -7.715 0.072 -11.406 1.00 0.00 C ATOM 1241 O CYS A 90 -7.381 0.433 -10.279 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.251 -1.834 -10.889 1.00 0.00 C ATOM 1243 SG CYS A 90 -8.896 -2.185 -9.151 1.00 0.00 S ATOM 0 H CYS A 90 -6.768 -2.452 -10.402 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.254 -1.491 -12.760 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.012 -1.055 -10.943 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.675 -2.726 -11.350 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.989 -2.550 -8.550 1.00 0.00 H new ATOM 1249 N GLY A 91 -7.823 0.912 -12.432 1.00 0.00 N ATOM 1250 CA GLY A 91 -7.545 2.326 -12.265 1.00 0.00 C ATOM 1251 C GLY A 91 -6.326 2.579 -11.399 1.00 0.00 C ATOM 1252 O GLY A 91 -5.228 2.119 -11.711 1.00 0.00 O ATOM 0 H GLY A 91 -8.098 0.638 -13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.392 2.781 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.412 2.813 -11.818 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.519 3.313 -10.309 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.427 3.627 -9.395 1.00 0.00 C ATOM 1258 C ASP A 92 -5.397 2.648 -8.227 1.00 0.00 C ATOM 1259 O ASP A 92 -5.120 3.030 -7.090 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.565 5.059 -8.874 1.00 0.00 C ATOM 1261 CG ASP A 92 -4.871 6.069 -9.765 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.145 6.073 -10.983 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -4.051 6.856 -9.244 1.00 0.00 O ATOM 0 H ASP A 92 -7.422 3.702 -10.037 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.490 3.537 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.622 5.314 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.148 5.118 -7.869 1.00 0.00 H new ATOM 1268 N TRP A 93 -5.686 1.383 -8.514 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.693 0.349 -7.486 1.00 0.00 C ATOM 1270 C TRP A 93 -5.246 -0.991 -8.059 1.00 0.00 C ATOM 1271 O TRP A 93 -5.451 -1.272 -9.240 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.090 0.216 -6.877 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.531 1.438 -6.130 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -7.774 2.676 -6.655 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.781 1.540 -4.724 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.159 3.541 -5.659 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.172 2.868 -4.466 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.714 0.638 -3.659 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.492 3.314 -3.186 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.032 1.082 -2.390 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.418 2.409 -2.162 1.00 0.00 C ATOM 0 H TRP A 93 -5.918 1.049 -9.450 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.990 0.642 -6.706 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -7.806 0.006 -7.671 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.104 -0.639 -6.201 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.678 2.936 -7.699 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.397 4.525 -5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.419 -0.388 -3.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.788 4.337 -3.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.982 0.394 -1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.662 2.724 -1.158 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.633 -1.815 -7.216 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.154 -3.126 -7.641 1.00 0.00 C ATOM 1294 C TYR A 94 -5.121 -4.224 -7.211 1.00 0.00 C ATOM 1295 O TYR A 94 -6.040 -3.986 -6.427 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.766 -3.397 -7.060 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.657 -2.648 -7.765 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.485 -2.756 -9.140 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.784 -1.832 -7.057 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.473 -2.074 -9.788 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.230 -1.146 -7.697 1.00 0.00 C ATOM 1302 CZ TYR A 94 0.381 -1.270 -9.063 1.00 0.00 C ATOM 1303 OH TYR A 94 1.389 -0.588 -9.705 1.00 0.00 O ATOM 0 H TYR A 94 -4.456 -1.599 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.092 -3.127 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.764 -3.124 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.562 -4.466 -7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.153 -3.383 -9.711 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.900 -1.732 -5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.351 -2.170 -10.857 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.901 -0.516 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 94 1.900 -0.067 -9.051 1.00 0.00 H new ATOM 1313 N ARG A 95 -4.907 -5.429 -7.729 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.758 -6.566 -7.401 1.00 0.00 C ATOM 1315 C ARG A 95 -4.928 -7.832 -7.215 1.00 0.00 C ATOM 1316 O ARG A 95 -4.301 -8.319 -8.155 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.801 -6.783 -8.499 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.108 -7.369 -7.990 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.107 -8.887 -8.069 1.00 0.00 C ATOM 1320 NE ARG A 95 -8.982 -9.488 -7.067 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.621 -9.696 -5.805 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -7.409 -9.352 -5.394 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -9.474 -10.248 -4.952 1.00 0.00 N ATOM 0 H ARG A 95 -4.150 -5.643 -8.379 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.268 -6.347 -6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.006 -5.830 -8.987 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.386 -7.447 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.270 -7.058 -6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.938 -6.974 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.427 -9.198 -9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.091 -9.256 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.922 -9.763 -7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.751 -8.927 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.134 -9.513 -4.425 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.408 -10.513 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.196 -10.407 -3.984 1.00 0.00 H new ATOM 1337 N GLY A 96 -4.927 -8.360 -5.994 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.169 -9.564 -5.707 1.00 0.00 C ATOM 1339 C GLY A 96 -4.440 -10.101 -4.316 1.00 0.00 C ATOM 1340 O GLY A 96 -5.518 -9.890 -3.760 1.00 0.00 O ATOM 0 H GLY A 96 -5.437 -7.975 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.416 -10.329 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.105 -9.353 -5.811 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.460 -10.798 -3.752 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.599 -11.371 -2.418 1.00 0.00 C ATOM 1346 C TYR A 97 -2.238 -11.529 -1.749 1.00 0.00 C ATOM 1347 O TYR A 97 -1.201 -11.527 -2.414 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.304 -12.726 -2.494 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.556 -13.753 -3.314 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.321 -14.237 -2.899 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.083 -14.238 -4.504 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.634 -15.174 -3.646 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.404 -15.177 -5.257 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.180 -15.641 -4.823 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.499 -16.575 -5.570 1.00 0.00 O ATOM 0 H TYR A 97 -2.561 -10.980 -4.198 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.201 -10.689 -1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.443 -13.111 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.297 -12.586 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.891 -13.874 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.041 -13.875 -4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.675 -15.539 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.829 -15.545 -6.179 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.021 -16.799 -6.368 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.248 -11.668 -0.428 1.00 0.00 N ATOM 1366 CA LEU A 98 -1.015 -11.829 0.335 1.00 0.00 C ATOM 1367 C LEU A 98 -0.388 -13.195 0.075 1.00 0.00 C ATOM 1368 O LEU A 98 -0.994 -14.230 0.354 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.290 -11.657 1.830 1.00 0.00 C ATOM 1370 CG LEU A 98 -0.138 -11.096 2.664 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.288 -9.734 2.138 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.537 -11.004 4.130 1.00 0.00 C ATOM 0 H LEU A 98 -3.097 -11.672 0.138 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.314 -11.060 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.151 -10.999 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.571 -12.626 2.241 1.00 0.00 H new ATOM 0 HG LEU A 98 0.710 -11.775 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.109 -9.350 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.615 -9.830 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.554 -9.044 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.295 -10.603 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.400 -10.346 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.792 -11.997 4.501 1.00 0.00 H new ATOM 1384 N ILE A 99 0.828 -13.190 -0.459 1.00 0.00 N ATOM 1385 CA ILE A 99 1.538 -14.429 -0.753 1.00 0.00 C ATOM 1386 C ILE A 99 1.841 -15.205 0.524 1.00 0.00 C ATOM 1387 O ILE A 99 1.580 -16.406 0.611 1.00 0.00 O ATOM 1388 CB ILE A 99 2.857 -14.159 -1.501 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.639 -13.120 -2.604 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.409 -15.450 -2.085 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.835 -12.944 -3.513 1.00 0.00 C ATOM 0 H ILE A 99 1.343 -12.342 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 99 0.884 -15.024 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 99 3.585 -13.763 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.777 -13.414 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.397 -12.161 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.341 -15.242 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.596 -16.162 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.686 -15.872 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.609 -12.193 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.694 -12.620 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.065 -13.892 -3.999 1.00 0.00 H new ATOM 1403 N LYS A 100 2.392 -14.512 1.514 1.00 0.00 N ATOM 1404 CA LYS A 100 2.729 -15.134 2.789 1.00 0.00 C ATOM 1405 C LYS A 100 1.492 -15.747 3.439 1.00 0.00 C ATOM 1406 O LYS A 100 1.599 -16.538 4.376 1.00 0.00 O ATOM 1407 CB LYS A 100 3.356 -14.105 3.732 1.00 0.00 C ATOM 1408 CG LYS A 100 2.529 -12.841 3.890 1.00 0.00 C ATOM 1409 CD LYS A 100 2.885 -12.097 5.166 1.00 0.00 C ATOM 1410 CE LYS A 100 4.118 -11.227 4.979 1.00 0.00 C ATOM 1411 NZ LYS A 100 4.593 -10.654 6.269 1.00 0.00 N ATOM 0 H LYS A 100 2.615 -13.518 1.458 1.00 0.00 H new ATOM 0 HA LYS A 100 3.450 -15.929 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.497 -14.561 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.345 -13.838 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.691 -12.190 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.470 -13.097 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.043 -11.476 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.062 -12.813 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.915 -11.819 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.890 -10.418 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.609 -10.441 6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.069 -9.780 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.434 -11.341 7.034 1.00 0.00 H new ATOM 1425 N HIS A 101 0.319 -15.378 2.934 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.938 -15.894 3.464 1.00 0.00 C ATOM 1427 C HIS A 101 -2.069 -15.705 2.458 1.00 0.00 C ATOM 1428 O HIS A 101 -2.554 -14.592 2.254 1.00 0.00 O ATOM 1429 CB HIS A 101 -1.286 -15.195 4.778 1.00 0.00 C ATOM 1430 CG HIS A 101 -0.280 -15.424 5.863 1.00 0.00 C ATOM 1431 ND1 HIS A 101 -0.299 -16.529 6.687 1.00 0.00 N ATOM 1432 CD2 HIS A 101 0.782 -14.682 6.257 1.00 0.00 C ATOM 1433 CE1 HIS A 101 0.705 -16.457 7.542 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.377 -15.345 7.301 1.00 0.00 N ATOM 0 H HIS A 101 0.213 -14.724 2.159 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.816 -16.961 3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.376 -14.124 4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.261 -15.544 5.118 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.101 -13.743 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.937 -17.183 8.307 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.204 -15.030 7.809 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.486 -16.800 1.831 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.561 -16.757 0.847 1.00 0.00 C ATOM 1445 C LYS A 102 -4.917 -16.601 1.528 1.00 0.00 C ATOM 1446 O LYS A 102 -5.954 -16.576 0.868 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.550 -18.028 -0.006 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.213 -18.302 -0.672 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.130 -17.654 -2.044 1.00 0.00 C ATOM 1450 CE LYS A 102 -2.923 -18.436 -3.079 1.00 0.00 C ATOM 1451 NZ LYS A 102 -2.323 -19.773 -3.345 1.00 0.00 N ATOM 0 H LYS A 102 -2.095 -17.729 1.987 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.396 -15.893 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.815 -18.879 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.319 -17.947 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.408 -17.925 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -2.067 -19.378 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.509 -16.633 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.087 -17.591 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.949 -18.561 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.968 -17.867 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.676 -20.137 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.287 -19.687 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.586 -20.430 -2.583 1.00 0.00 H new ATOM 1465 N MET A 103 -4.900 -16.495 2.853 1.00 0.00 N ATOM 1466 CA MET A 103 -6.128 -16.338 3.623 1.00 0.00 C ATOM 1467 C MET A 103 -6.652 -14.909 3.526 1.00 0.00 C ATOM 1468 O MET A 103 -7.663 -14.565 4.139 1.00 0.00 O ATOM 1469 CB MET A 103 -5.888 -16.707 5.088 1.00 0.00 C ATOM 1470 CG MET A 103 -6.047 -18.192 5.375 1.00 0.00 C ATOM 1471 SD MET A 103 -6.066 -18.560 7.140 1.00 0.00 S ATOM 1472 CE MET A 103 -4.490 -17.875 7.646 1.00 0.00 C ATOM 0 H MET A 103 -4.049 -16.515 3.415 1.00 0.00 H new ATOM 0 HA MET A 103 -6.877 -17.010 3.205 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.883 -16.396 5.372 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.584 -16.148 5.714 1.00 0.00 H new ATOM 0 HG2 MET A 103 -6.973 -18.548 4.924 1.00 0.00 H new ATOM 0 HG3 MET A 103 -5.231 -18.739 4.903 1.00 0.00 H new ATOM 0 HE1 MET A 103 -4.240 -18.235 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.716 -18.185 6.944 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.553 -16.787 7.659 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.958 -14.081 2.753 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.354 -12.688 2.576 1.00 0.00 C ATOM 1484 C LEU A 104 -6.272 -12.281 1.108 1.00 0.00 C ATOM 1485 O LEU A 104 -5.260 -12.513 0.446 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.465 -11.773 3.421 1.00 0.00 C ATOM 1487 CG LEU A 104 -5.162 -12.256 4.840 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.977 -13.209 4.838 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.897 -11.073 5.760 1.00 0.00 C ATOM 0 H LEU A 104 -5.119 -14.350 2.239 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.388 -12.585 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.520 -11.633 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.942 -10.795 3.486 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.033 -12.794 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.776 -13.542 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.205 -14.072 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.099 -12.697 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.683 -11.435 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.042 -10.507 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.775 -10.428 5.786 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.342 -11.671 0.607 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.389 -11.231 -0.782 1.00 0.00 C ATOM 1503 C GLN A 105 -8.235 -9.970 -0.924 1.00 0.00 C ATOM 1504 O GLN A 105 -9.188 -9.762 -0.175 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.952 -12.340 -1.672 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.383 -13.716 -1.363 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.075 -14.821 -2.137 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.774 -14.563 -3.118 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.882 -16.060 -1.701 1.00 0.00 N ATOM 0 H GLN A 105 -8.187 -11.471 1.142 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.372 -11.002 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.036 -12.370 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.747 -12.097 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.318 -13.726 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.477 -13.912 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.295 -16.227 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.321 -16.844 -2.183 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.878 -9.130 -1.892 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.614 -7.899 -2.114 1.00 0.00 C ATOM 1520 C GLY A 106 -7.869 -6.932 -3.011 1.00 0.00 C ATOM 1521 O GLY A 106 -7.163 -7.346 -3.931 1.00 0.00 O ATOM 0 H GLY A 106 -7.093 -9.280 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.581 -8.133 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.813 -7.420 -1.155 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.026 -5.639 -2.745 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.362 -4.611 -3.536 1.00 0.00 C ATOM 1527 C ILE A 107 -6.665 -3.593 -2.640 1.00 0.00 C ATOM 1528 O ILE A 107 -7.007 -3.445 -1.466 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.357 -3.875 -4.452 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.474 -3.240 -3.622 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -8.935 -4.833 -5.484 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.428 -2.395 -4.438 1.00 0.00 C ATOM 0 H ILE A 107 -8.607 -5.279 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.620 -5.118 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.826 -3.082 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.037 -4.028 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.029 -2.621 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.637 -4.298 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.128 -5.243 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.454 -5.645 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.194 -1.977 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.878 -1.585 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.901 -3.014 -5.201 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.686 -2.891 -3.201 1.00 0.00 N ATOM 1545 CA PHE A 108 -4.940 -1.885 -2.453 1.00 0.00 C ATOM 1546 C PHE A 108 -4.420 -0.792 -3.381 1.00 0.00 C ATOM 1547 O PHE A 108 -4.314 -0.971 -4.595 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.773 -2.535 -1.707 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.224 -3.751 -2.396 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.746 -5.007 -2.133 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.186 -3.639 -3.307 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.243 -6.128 -2.765 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -1.679 -4.757 -3.943 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.209 -6.003 -3.672 1.00 0.00 C ATOM 0 H PHE A 108 -5.391 -3.000 -4.171 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.617 -1.431 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.974 -1.802 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.102 -2.812 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.556 -5.111 -1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.768 -2.667 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.658 -7.102 -2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.870 -4.656 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.816 -6.878 -4.168 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.088 0.370 -2.799 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.574 1.516 -3.554 1.00 0.00 C ATOM 1566 C PRO A 109 -2.168 1.272 -4.093 1.00 0.00 C ATOM 1567 O PRO A 109 -1.288 0.804 -3.370 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.562 2.646 -2.521 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.450 1.955 -1.206 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.189 0.654 -1.357 1.00 0.00 C ATOM 0 HA PRO A 109 -4.182 1.730 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.724 3.324 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.471 3.244 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.406 1.783 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.883 2.560 -0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.737 -0.137 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.227 0.742 -1.036 1.00 0.00 H new ATOM 1578 N LYS A 110 -1.964 1.591 -5.366 1.00 0.00 N ATOM 1579 CA LYS A 110 -0.664 1.408 -6.002 1.00 0.00 C ATOM 1580 C LYS A 110 0.394 2.285 -5.340 1.00 0.00 C ATOM 1581 O LYS A 110 1.589 2.003 -5.424 1.00 0.00 O ATOM 1582 CB LYS A 110 -0.753 1.736 -7.494 1.00 0.00 C ATOM 1583 CG LYS A 110 -1.904 1.042 -8.202 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.425 1.870 -9.364 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.372 2.032 -10.450 1.00 0.00 C ATOM 1586 NZ LYS A 110 -1.009 0.727 -11.069 1.00 0.00 N ATOM 0 H LYS A 110 -2.682 1.978 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.372 0.365 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.860 2.814 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.183 1.453 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.574 0.069 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.712 0.860 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.311 1.393 -9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.732 2.852 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.745 2.708 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.480 2.493 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.219 0.865 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.726 0.057 -10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.829 0.347 -11.583 1.00 0.00 H new ATOM 1600 N SER A 111 -0.054 3.350 -4.682 1.00 0.00 N ATOM 1601 CA SER A 111 0.855 4.269 -4.008 1.00 0.00 C ATOM 1602 C SER A 111 1.464 3.620 -2.768 1.00 0.00 C ATOM 1603 O SER A 111 2.391 4.159 -2.164 1.00 0.00 O ATOM 1604 CB SER A 111 0.119 5.552 -3.616 1.00 0.00 C ATOM 1605 OG SER A 111 -0.165 6.346 -4.755 1.00 0.00 O ATOM 0 H SER A 111 -1.040 3.597 -4.602 1.00 0.00 H new ATOM 0 HA SER A 111 1.660 4.517 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.810 5.300 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.726 6.123 -2.913 1.00 0.00 H new ATOM 0 HG SER A 111 -0.637 7.159 -4.478 1.00 0.00 H new ATOM 1611 N PHE A 112 0.935 2.460 -2.396 1.00 0.00 N ATOM 1612 CA PHE A 112 1.424 1.736 -1.228 1.00 0.00 C ATOM 1613 C PHE A 112 2.240 0.517 -1.646 1.00 0.00 C ATOM 1614 O PHE A 112 2.943 -0.082 -0.832 1.00 0.00 O ATOM 1615 CB PHE A 112 0.254 1.302 -0.343 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.314 2.416 0.489 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.936 3.499 -0.112 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.228 2.380 1.871 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.459 4.526 0.652 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.749 3.403 2.640 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.367 4.477 2.029 1.00 0.00 C ATOM 0 H PHE A 112 0.167 2.001 -2.886 1.00 0.00 H new ATOM 0 HA PHE A 112 2.070 2.406 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.535 0.891 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.586 0.500 0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.013 3.541 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.252 1.542 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.939 5.366 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.673 3.363 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.777 5.277 2.627 1.00 0.00 H new ATOM 1631 N ILE A 113 2.141 0.155 -2.921 1.00 0.00 N ATOM 1632 CA ILE A 113 2.869 -0.992 -3.448 1.00 0.00 C ATOM 1633 C ILE A 113 4.126 -0.552 -4.191 1.00 0.00 C ATOM 1634 O ILE A 113 4.092 0.387 -4.987 1.00 0.00 O ATOM 1635 CB ILE A 113 1.992 -1.829 -4.398 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.746 -2.333 -3.666 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.787 -2.995 -4.965 1.00 0.00 C ATOM 1638 CD1 ILE A 113 1.058 -3.100 -2.400 1.00 0.00 C ATOM 0 H ILE A 113 1.564 0.640 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 113 3.151 -1.605 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 113 1.673 -1.196 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.111 -1.482 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.174 -2.973 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 113 2.153 -3.576 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.646 -2.615 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.133 -3.630 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.128 -3.427 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.668 -3.970 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.603 -2.456 -1.710 1.00 0.00 H new ATOM 1650 N HIS A 114 5.234 -1.236 -3.926 1.00 0.00 N ATOM 1651 CA HIS A 114 6.503 -0.917 -4.571 1.00 0.00 C ATOM 1652 C HIS A 114 6.852 -1.960 -5.628 1.00 0.00 C ATOM 1653 O HIS A 114 7.408 -3.013 -5.315 1.00 0.00 O ATOM 1654 CB HIS A 114 7.621 -0.833 -3.532 1.00 0.00 C ATOM 1655 CG HIS A 114 8.915 -0.320 -4.085 1.00 0.00 C ATOM 1656 ND1 HIS A 114 9.105 0.994 -4.459 1.00 0.00 N ATOM 1657 CD2 HIS A 114 10.088 -0.951 -4.324 1.00 0.00 C ATOM 1658 CE1 HIS A 114 10.338 1.148 -4.907 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.956 -0.018 -4.834 1.00 0.00 N ATOM 0 H HIS A 114 5.279 -2.015 -3.269 1.00 0.00 H new ATOM 0 HA HIS A 114 6.400 0.051 -5.061 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.301 -0.184 -2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.785 -1.823 -3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.302 -1.995 -4.146 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.768 2.070 -5.271 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.921 -0.196 -5.112 1.00 0.00 H new ATOM 1668 N ILE A 115 6.521 -1.661 -6.880 1.00 0.00 N ATOM 1669 CA ILE A 115 6.801 -2.573 -7.982 1.00 0.00 C ATOM 1670 C ILE A 115 8.302 -2.733 -8.197 1.00 0.00 C ATOM 1671 O ILE A 115 8.987 -1.791 -8.598 1.00 0.00 O ATOM 1672 CB ILE A 115 6.155 -2.086 -9.293 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.643 -1.930 -9.115 1.00 0.00 C ATOM 1674 CG2 ILE A 115 6.464 -3.053 -10.426 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.921 -3.243 -8.908 1.00 0.00 C ATOM 0 H ILE A 115 6.059 -0.795 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 115 6.371 -3.537 -7.710 1.00 0.00 H new ATOM 0 HB ILE A 115 6.574 -1.112 -9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.451 -1.280 -8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 115 4.231 -1.433 -9.993 1.00 0.00 H new ATOM 0 HG21 ILE A 115 6.001 -2.696 -11.346 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.543 -3.118 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 115 6.070 -4.039 -10.181 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.854 -3.057 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.083 -3.887 -9.772 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.306 -3.733 -8.013 1.00 0.00 H new ATOM 1687 N LYS A 116 8.808 -3.931 -7.928 1.00 0.00 N ATOM 1688 CA LYS A 116 10.228 -4.217 -8.094 1.00 0.00 C ATOM 1689 C LYS A 116 10.562 -4.485 -9.558 1.00 0.00 C ATOM 1690 O LYS A 116 10.656 -5.636 -9.982 1.00 0.00 O ATOM 1691 CB LYS A 116 10.630 -5.422 -7.240 1.00 0.00 C ATOM 1692 CG LYS A 116 10.357 -5.235 -5.758 1.00 0.00 C ATOM 1693 CD LYS A 116 10.411 -6.557 -5.010 1.00 0.00 C ATOM 1694 CE LYS A 116 11.822 -6.873 -4.538 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.068 -8.340 -4.469 1.00 0.00 N ATOM 0 H LYS A 116 8.255 -4.721 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 116 10.790 -3.342 -7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.092 -6.302 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.692 -5.620 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.090 -4.547 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.376 -4.779 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.739 -6.519 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.055 -7.358 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.543 -6.415 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.984 -6.431 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.040 -8.514 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.397 -8.774 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.939 -8.758 -5.412 1.00 0.00 H new