USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 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 :FLIP no HD1:sc= -1.06 F(o=-1.7!,f=-1.1) USER MOD Single : A 91 THR OG1 : rot -159:sc= -0.299 USER MOD Single : A 94 GLN : amide:sc= -0.0917 K(o=-0.092,f=-2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-6!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 125 MET CE :methyl -108:sc= -0.57 (180deg=-3.6!) USER MOD Single : A 126 ASN : amide:sc=-0.000903 X(o=-0.0009,f=-0.17) USER MOD Single : A 128 SER OG : rot 170:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.850 -4.044 12.177 1.00 0.00 N ATOM 883 CA ARG A 64 -7.016 -4.778 10.916 1.00 0.00 C ATOM 884 C ARG A 64 -6.192 -4.126 9.788 1.00 0.00 C ATOM 885 O ARG A 64 -6.278 -4.538 8.625 1.00 0.00 O ATOM 886 CB ARG A 64 -8.501 -4.837 10.528 1.00 0.00 C ATOM 887 CG ARG A 64 -9.377 -5.588 11.523 1.00 0.00 C ATOM 888 CD ARG A 64 -10.806 -5.709 11.025 1.00 0.00 C ATOM 889 NE ARG A 64 -11.685 -6.331 12.023 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.637 -5.686 12.713 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.858 -4.384 12.533 1.00 0.00 N ATOM 892 NH2 ARG A 64 -13.373 -6.353 13.592 1.00 0.00 N ATOM 0 HA ARG A 64 -6.649 -5.794 11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.879 -3.820 10.424 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.591 -5.312 9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.965 -6.582 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.367 -5.070 12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.187 -4.719 10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.822 -6.300 10.109 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.563 -7.327 12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.298 -3.860 11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.587 -3.912 13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.213 -7.350 13.739 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.099 -5.869 14.121 1.00 0.00 H new ATOM 906 N VAL A 65 -5.385 -3.119 10.154 1.00 0.00 N ATOM 907 CA VAL A 65 -4.540 -2.385 9.200 1.00 0.00 C ATOM 908 C VAL A 65 -3.081 -2.824 9.361 1.00 0.00 C ATOM 909 O VAL A 65 -2.595 -2.970 10.486 1.00 0.00 O ATOM 910 CB VAL A 65 -4.657 -0.836 9.393 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.928 -0.072 8.286 1.00 0.00 C ATOM 912 CG2 VAL A 65 -6.120 -0.395 9.444 1.00 0.00 C ATOM 0 H VAL A 65 -5.300 -2.791 11.116 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.888 -2.619 8.194 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.182 -0.600 10.345 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.032 1.000 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.871 -0.340 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.361 -0.331 7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.170 0.685 9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.615 -0.668 8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.620 -0.888 10.278 1.00 0.00 H new ATOM 922 N LEU A 66 -2.401 -3.035 8.229 1.00 0.00 N ATOM 923 CA LEU A 66 -1.002 -3.486 8.232 1.00 0.00 C ATOM 924 C LEU A 66 -0.106 -2.528 7.448 1.00 0.00 C ATOM 925 O LEU A 66 -0.575 -1.803 6.565 1.00 0.00 O ATOM 926 CB LEU A 66 -0.872 -4.920 7.661 1.00 0.00 C ATOM 927 CG LEU A 66 -2.159 -5.765 7.595 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.979 -6.918 6.620 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.557 -6.288 8.972 1.00 0.00 C ATOM 0 H LEU A 66 -2.795 -2.901 7.298 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.671 -3.495 9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.462 -4.848 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.142 -5.460 8.264 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.965 -5.122 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.895 -7.508 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.759 -6.524 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.154 -7.549 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.469 -6.879 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.756 -6.911 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.731 -5.448 9.644 1.00 0.00 H new ATOM 941 N TYR A 67 1.188 -2.542 7.786 1.00 0.00 N ATOM 942 CA TYR A 67 2.198 -1.717 7.123 1.00 0.00 C ATOM 943 C TYR A 67 2.832 -2.508 5.986 1.00 0.00 C ATOM 944 O TYR A 67 3.158 -3.677 6.159 1.00 0.00 O ATOM 945 CB TYR A 67 3.283 -1.281 8.138 1.00 0.00 C ATOM 946 CG TYR A 67 4.533 -0.647 7.523 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.611 0.722 7.303 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.628 -1.434 7.157 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.741 1.290 6.737 1.00 0.00 C ATOM 950 CE2 TYR A 67 6.760 -0.873 6.589 1.00 0.00 C ATOM 951 CZ TYR A 67 6.810 0.489 6.383 1.00 0.00 C ATOM 952 OH TYR A 67 7.930 1.056 5.818 1.00 0.00 O ATOM 0 H TYR A 67 1.563 -3.129 8.531 1.00 0.00 H new ATOM 0 HA TYR A 67 1.722 -0.823 6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.840 -0.570 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.585 -2.152 8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.779 1.353 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.591 -2.501 7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.786 2.356 6.573 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.596 -1.497 6.310 1.00 0.00 H new ATOM 0 HH TYR A 67 8.590 0.357 5.629 1.00 0.00 H new ATOM 962 N VAL A 68 2.980 -1.865 4.832 1.00 0.00 N ATOM 963 CA VAL A 68 3.619 -2.492 3.677 1.00 0.00 C ATOM 964 C VAL A 68 4.610 -1.518 3.047 1.00 0.00 C ATOM 965 O VAL A 68 4.215 -0.468 2.530 1.00 0.00 O ATOM 966 CB VAL A 68 2.599 -3.010 2.616 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.014 -4.340 3.060 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.474 -2.015 2.342 1.00 0.00 C ATOM 0 H VAL A 68 2.666 -0.908 4.670 1.00 0.00 H new ATOM 0 HA VAL A 68 4.148 -3.373 4.040 1.00 0.00 H new ATOM 0 HB VAL A 68 3.150 -3.137 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.303 -4.693 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.815 -5.071 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.503 -4.212 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.795 -2.429 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.926 -1.823 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.896 -1.082 1.970 1.00 0.00 H new ATOM 978 N GLY A 69 5.894 -1.880 3.097 1.00 0.00 N ATOM 979 CA GLY A 69 6.937 -1.029 2.550 1.00 0.00 C ATOM 980 C GLY A 69 7.921 -1.782 1.690 1.00 0.00 C ATOM 981 O GLY A 69 8.143 -2.975 1.896 1.00 0.00 O ATOM 0 H GLY A 69 6.228 -2.751 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.479 -0.236 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.472 -0.548 3.369 1.00 0.00 H new ATOM 985 N GLY A 70 8.515 -1.068 0.735 1.00 0.00 N ATOM 986 CA GLY A 70 9.485 -1.664 -0.172 1.00 0.00 C ATOM 987 C GLY A 70 8.948 -1.795 -1.586 1.00 0.00 C ATOM 988 O GLY A 70 9.469 -2.584 -2.380 1.00 0.00 O ATOM 0 H GLY A 70 8.339 -0.077 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.389 -1.055 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.769 -2.649 0.199 1.00 0.00 H new ATOM 992 N LEU A 71 7.904 -1.012 -1.895 1.00 0.00 N ATOM 993 CA LEU A 71 7.276 -1.021 -3.218 1.00 0.00 C ATOM 994 C LEU A 71 7.910 0.036 -4.121 1.00 0.00 C ATOM 995 O LEU A 71 8.612 0.935 -3.646 1.00 0.00 O ATOM 996 CB LEU A 71 5.753 -0.769 -3.138 1.00 0.00 C ATOM 997 CG LEU A 71 5.015 -1.337 -1.919 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.036 -0.342 -0.774 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.585 -1.676 -2.290 1.00 0.00 C ATOM 0 H LEU A 71 7.476 -0.360 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 71 7.439 -2.014 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.586 0.308 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.294 -1.184 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 71 5.523 -2.246 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.508 -0.762 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.068 -0.130 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.547 0.581 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.069 -2.079 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.074 -0.775 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.582 -2.418 -3.088 1.00 0.00 H new ATOM 1011 N ALA A 72 7.649 -0.087 -5.422 1.00 0.00 N ATOM 1012 CA ALA A 72 8.171 0.843 -6.421 1.00 0.00 C ATOM 1013 C ALA A 72 7.191 1.992 -6.655 1.00 0.00 C ATOM 1014 O ALA A 72 5.992 1.848 -6.414 1.00 0.00 O ATOM 1015 CB ALA A 72 8.454 0.107 -7.724 1.00 0.00 C ATOM 0 H ALA A 72 7.071 -0.832 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 72 9.104 1.265 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.843 0.809 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.190 -0.677 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.532 -0.339 -8.098 1.00 0.00 H new ATOM 1021 N GLU A 73 7.709 3.135 -7.121 1.00 0.00 N ATOM 1022 CA GLU A 73 6.885 4.330 -7.397 1.00 0.00 C ATOM 1023 C GLU A 73 5.861 4.069 -8.500 1.00 0.00 C ATOM 1024 O GLU A 73 4.810 4.715 -8.552 1.00 0.00 O ATOM 1025 CB GLU A 73 7.775 5.509 -7.781 1.00 0.00 C ATOM 1026 CG GLU A 73 8.638 5.988 -6.631 1.00 0.00 C ATOM 1027 CD GLU A 73 9.675 7.008 -7.056 1.00 0.00 C ATOM 1028 OE1 GLU A 73 10.686 6.608 -7.668 1.00 0.00 O ATOM 1029 OE2 GLU A 73 9.474 8.209 -6.775 1.00 0.00 O ATOM 0 H GLU A 73 8.702 3.263 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 73 6.339 4.570 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.415 5.220 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.151 6.332 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.000 6.425 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.141 5.133 -6.180 1.00 0.00 H new ATOM 1036 N GLU A 74 6.188 3.112 -9.376 1.00 0.00 N ATOM 1037 CA GLU A 74 5.318 2.720 -10.488 1.00 0.00 C ATOM 1038 C GLU A 74 4.136 1.858 -10.009 1.00 0.00 C ATOM 1039 O GLU A 74 3.267 1.499 -10.812 1.00 0.00 O ATOM 1040 CB GLU A 74 6.122 1.958 -11.553 1.00 0.00 C ATOM 1041 CG GLU A 74 7.167 2.806 -12.267 1.00 0.00 C ATOM 1042 CD GLU A 74 7.893 2.041 -13.355 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.760 1.207 -13.018 1.00 0.00 O ATOM 1044 OE2 GLU A 74 7.596 2.276 -14.545 1.00 0.00 O ATOM 0 H GLU A 74 7.062 2.589 -9.333 1.00 0.00 H new ATOM 0 HA GLU A 74 4.914 3.633 -10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.618 1.110 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.432 1.552 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.684 3.680 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.892 3.172 -11.540 1.00 0.00 H new ATOM 1051 N VAL A 75 4.097 1.538 -8.697 1.00 0.00 N ATOM 1052 CA VAL A 75 3.006 0.713 -8.143 1.00 0.00 C ATOM 1053 C VAL A 75 1.802 1.585 -7.755 1.00 0.00 C ATOM 1054 O VAL A 75 1.964 2.653 -7.157 1.00 0.00 O ATOM 1055 CB VAL A 75 3.447 -0.201 -6.937 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.802 -0.852 -7.194 1.00 0.00 C ATOM 1057 CG2 VAL A 75 3.459 0.534 -5.595 1.00 0.00 C ATOM 0 H VAL A 75 4.795 1.833 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 75 2.713 0.032 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 75 2.688 -0.980 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.074 -1.475 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.745 -1.469 -8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.557 -0.078 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.771 -0.152 -4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.156 1.371 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.459 0.907 -5.376 1.00 0.00 H new ATOM 1067 N ASP A 76 0.609 1.118 -8.120 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.638 1.829 -7.829 1.00 0.00 C ATOM 1069 C ASP A 76 -1.446 1.083 -6.762 1.00 0.00 C ATOM 1070 O ASP A 76 -1.065 -0.015 -6.344 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.466 1.997 -9.116 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.800 2.897 -10.150 1.00 0.00 C ATOM 1073 OD1 ASP A 76 -0.181 3.911 -9.758 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.901 2.584 -11.356 1.00 0.00 O ATOM 0 H ASP A 76 0.478 0.241 -8.623 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.393 2.818 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.641 1.016 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.442 2.410 -8.860 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.567 1.687 -6.324 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.448 1.084 -5.306 1.00 0.00 C ATOM 1081 C ASP A 77 -4.013 -0.268 -5.776 1.00 0.00 C ATOM 1082 O ASP A 77 -4.291 -1.153 -4.961 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.589 2.056 -4.931 1.00 0.00 C ATOM 1084 CG ASP A 77 -5.480 2.458 -6.104 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.940 2.840 -7.165 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -6.718 2.388 -5.957 1.00 0.00 O ATOM 0 H ASP A 77 -2.885 2.596 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.847 0.896 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.207 1.593 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.156 2.955 -4.493 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.173 -0.399 -7.102 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.692 -1.622 -7.735 1.00 0.00 C ATOM 1093 C LYS A 78 -3.682 -2.761 -7.602 1.00 0.00 C ATOM 1094 O LYS A 78 -4.053 -3.927 -7.443 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.001 -1.375 -9.227 1.00 0.00 C ATOM 1096 CG LYS A 78 -5.937 -0.196 -9.513 1.00 0.00 C ATOM 1097 CD LYS A 78 -7.380 -0.477 -9.107 1.00 0.00 C ATOM 1098 CE LYS A 78 -8.270 0.728 -9.369 1.00 0.00 C ATOM 1099 NZ LYS A 78 -8.679 0.818 -10.798 1.00 0.00 N ATOM 0 H LYS A 78 -3.946 0.341 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.614 -1.901 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.061 -1.208 -9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.444 -2.279 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.579 0.684 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.903 0.040 -10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.756 -1.337 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.419 -0.738 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.158 0.666 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.741 1.638 -9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.284 1.653 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.833 0.903 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.206 -0.039 -11.063 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.394 -2.388 -7.676 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.273 -3.312 -7.564 1.00 0.00 C ATOM 1115 C VAL A 79 -1.178 -3.887 -6.136 1.00 0.00 C ATOM 1116 O VAL A 79 -1.043 -5.101 -5.956 1.00 0.00 O ATOM 1117 CB VAL A 79 0.052 -2.578 -7.929 1.00 0.00 C ATOM 1118 CG1 VAL A 79 1.241 -3.502 -7.832 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.007 -1.963 -9.324 1.00 0.00 C ATOM 0 H VAL A 79 -2.107 -1.420 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.434 -4.138 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 79 0.171 -1.775 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.148 -2.957 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.326 -3.880 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.109 -4.338 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.936 -1.461 -9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.177 -2.748 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.822 -1.240 -9.369 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.266 -2.993 -5.135 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.189 -3.380 -3.722 1.00 0.00 C ATOM 1131 C LEU A 80 -2.410 -4.210 -3.295 1.00 0.00 C ATOM 1132 O LEU A 80 -2.281 -5.174 -2.533 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.068 -2.131 -2.837 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.288 -2.325 -1.525 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.366 -1.023 -1.094 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.196 -2.855 -0.421 1.00 0.00 C ATOM 0 H LEU A 80 -1.391 -1.992 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.302 -4.000 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.584 -1.343 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.071 -1.779 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 80 0.493 -3.063 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.913 -1.181 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.056 -0.689 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.401 -0.264 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.619 -2.983 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.005 -2.147 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.614 -3.815 -0.723 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.589 -3.822 -3.811 1.00 0.00 N ATOM 1149 CA HIS A 81 -4.859 -4.499 -3.514 1.00 0.00 C ATOM 1150 C HIS A 81 -4.895 -5.917 -4.114 1.00 0.00 C ATOM 1151 O HIS A 81 -5.224 -6.884 -3.424 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.022 -3.653 -4.062 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.352 -3.931 -3.426 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.283 -4.877 -3.695 1.00 0.00 N flip ATOM 1155 CD2 HIS A 81 -7.865 -3.175 -2.392 1.00 0.00 C flip ATOM 1156 CE1 HIS A 81 -9.329 -4.676 -2.830 1.00 0.00 C flip ATOM 1157 NE2 HIS A 81 -9.053 -3.645 -2.054 1.00 0.00 N flip ATOM 0 H HIS A 81 -3.686 -3.030 -4.446 1.00 0.00 H new ATOM 0 HA HIS A 81 -4.956 -4.601 -2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.782 -2.598 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.104 -3.825 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.373 -2.331 -1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.232 -5.266 -2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.654 -3.274 -1.318 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.537 -6.017 -5.404 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.523 -7.291 -6.139 1.00 0.00 C ATOM 1168 C ALA A 82 -3.400 -8.239 -5.692 1.00 0.00 C ATOM 1169 O ALA A 82 -3.483 -9.447 -5.930 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.416 -7.024 -7.633 1.00 0.00 C ATOM 0 H ALA A 82 -4.249 -5.216 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.463 -7.795 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.406 -7.971 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.270 -6.430 -7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.495 -6.479 -7.840 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.357 -7.688 -5.047 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.209 -8.481 -4.597 1.00 0.00 C ATOM 1178 C ALA A 83 -1.479 -9.137 -3.249 1.00 0.00 C ATOM 1179 O ALA A 83 -1.013 -10.248 -2.979 1.00 0.00 O ATOM 1180 CB ALA A 83 0.030 -7.601 -4.511 1.00 0.00 C ATOM 0 H ALA A 83 -2.289 -6.694 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.041 -9.273 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.878 -8.198 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.247 -7.181 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.147 -6.792 -3.802 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.238 -8.427 -2.417 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.588 -8.890 -1.081 1.00 0.00 C ATOM 1188 C PHE A 84 -4.020 -9.436 -1.007 1.00 0.00 C ATOM 1189 O PHE A 84 -4.466 -9.877 0.059 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.410 -7.735 -0.103 1.00 0.00 C ATOM 1191 CG PHE A 84 -0.974 -7.392 0.183 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.295 -8.005 1.224 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.302 -6.459 -0.592 1.00 0.00 C ATOM 1194 CE1 PHE A 84 1.024 -7.695 1.486 1.00 0.00 C ATOM 1195 CE2 PHE A 84 1.019 -6.146 -0.333 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.682 -6.765 0.706 1.00 0.00 C ATOM 0 H PHE A 84 -2.627 -7.514 -2.653 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.927 -9.716 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.911 -6.853 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.907 -7.986 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.804 -8.734 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.817 -5.972 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.541 -8.180 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.532 -5.417 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.715 -6.523 0.909 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.735 -9.419 -2.147 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.123 -9.907 -2.222 1.00 0.00 C ATOM 1208 C ILE A 85 -6.260 -11.456 -2.049 1.00 0.00 C ATOM 1209 O ILE A 85 -7.274 -11.894 -1.497 1.00 0.00 O ATOM 1210 CB ILE A 85 -6.842 -9.394 -3.524 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.368 -9.588 -3.439 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.298 -10.042 -4.798 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.098 -8.460 -2.733 1.00 0.00 C ATOM 0 H ILE A 85 -4.371 -9.070 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.636 -9.477 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.625 -8.327 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.767 -9.689 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.576 -10.523 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.832 -9.649 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.236 -9.818 -4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.438 -11.122 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.167 -8.673 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.729 -8.371 -1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.923 -7.525 -3.265 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.276 -12.319 -2.499 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.390 -13.792 -2.341 1.00 0.00 C ATOM 1227 C PRO A 86 -5.537 -14.254 -0.880 1.00 0.00 C ATOM 1228 O PRO A 86 -6.059 -15.342 -0.623 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.087 -14.343 -2.934 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.159 -13.182 -3.011 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.019 -11.969 -3.204 1.00 0.00 C ATOM 0 HA PRO A 86 -6.292 -14.152 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.675 -15.133 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.257 -14.775 -3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.566 -13.097 -2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.459 -13.298 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.556 -11.078 -2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.195 -11.766 -4.260 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.073 -13.417 0.064 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.141 -13.733 1.502 1.00 0.00 C ATOM 1241 C PHE A 87 -6.542 -13.500 2.081 1.00 0.00 C ATOM 1242 O PHE A 87 -6.954 -14.198 3.012 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.122 -12.894 2.293 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.696 -13.057 1.833 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.962 -14.184 2.178 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.092 -12.080 1.053 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.658 -14.336 1.753 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.786 -12.229 0.627 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.069 -13.359 0.977 1.00 0.00 C ATOM 0 H PHE A 87 -4.646 -12.514 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.903 -14.792 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.398 -11.842 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.185 -13.165 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.417 -14.951 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.648 -11.196 0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.099 -15.219 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.325 -11.463 0.021 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.951 -13.476 0.643 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.262 -12.519 1.521 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.602 -12.204 1.992 1.00 0.00 C ATOM 1261 C GLY A 88 -9.160 -10.931 1.384 1.00 0.00 C ATOM 1262 O GLY A 88 -8.668 -10.457 0.356 1.00 0.00 O ATOM 0 H GLY A 88 -6.936 -11.939 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.268 -13.034 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.586 -12.105 3.077 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.197 -10.385 2.033 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.859 -9.157 1.578 1.00 0.00 C ATOM 1268 C ASP A 89 -10.126 -7.904 2.059 1.00 0.00 C ATOM 1269 O ASP A 89 -9.739 -7.813 3.228 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.311 -9.123 2.072 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.191 -10.189 1.435 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.096 -10.389 0.204 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.975 -10.825 2.171 1.00 0.00 O ATOM 0 H ASP A 89 -10.598 -10.780 2.883 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.841 -9.162 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.322 -9.252 3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.735 -8.141 1.864 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.948 -6.951 1.142 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.279 -5.681 1.445 1.00 0.00 C ATOM 1280 C ILE A 90 -10.272 -4.533 1.258 1.00 0.00 C ATOM 1281 O ILE A 90 -11.051 -4.527 0.300 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.013 -5.456 0.560 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.042 -6.641 0.698 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.299 -4.150 0.937 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.202 -6.896 -0.536 1.00 0.00 C ATOM 0 H ILE A 90 -10.260 -7.035 0.175 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.939 -5.715 2.480 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.341 -5.383 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.380 -6.458 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.613 -7.540 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.421 -4.020 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.978 -3.310 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.990 -4.192 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.544 -7.747 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.854 -7.112 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.602 -6.013 -0.757 1.00 0.00 H new ATOM 1297 N THR A 91 -10.231 -3.569 2.182 1.00 0.00 N ATOM 1298 CA THR A 91 -11.132 -2.420 2.144 1.00 0.00 C ATOM 1299 C THR A 91 -10.514 -1.211 1.434 1.00 0.00 C ATOM 1300 O THR A 91 -11.050 -0.756 0.419 1.00 0.00 O ATOM 1301 CB THR A 91 -11.587 -2.011 3.565 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.522 -2.205 4.503 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.801 -2.820 3.997 1.00 0.00 C ATOM 0 H THR A 91 -9.580 -3.564 2.967 1.00 0.00 H new ATOM 0 HA THR A 91 -12.001 -2.739 1.568 1.00 0.00 H new ATOM 0 HB THR A 91 -11.859 -0.956 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.891 -2.270 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 91 -13.103 -2.516 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.622 -2.644 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.549 -3.880 4.001 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.388 -0.694 1.961 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.728 0.485 1.376 1.00 0.00 C ATOM 1313 C ASP A 92 -7.201 0.413 1.458 1.00 0.00 C ATOM 1314 O ASP A 92 -6.643 -0.241 2.343 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.202 1.766 2.090 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.671 2.087 1.849 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -11.142 1.926 0.701 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.351 2.501 2.812 1.00 0.00 O ATOM 0 H ASP A 92 -8.920 -1.072 2.785 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.007 0.504 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.033 1.659 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.595 2.606 1.753 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.545 1.100 0.509 1.00 0.00 N ATOM 1324 CA ILE A 93 -5.081 1.193 0.452 1.00 0.00 C ATOM 1325 C ILE A 93 -4.690 2.673 0.573 1.00 0.00 C ATOM 1326 O ILE A 93 -5.159 3.501 -0.215 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.489 0.590 -0.877 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.946 -0.877 -1.139 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.958 0.668 -0.899 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.844 -1.834 0.046 1.00 0.00 C ATOM 0 H ILE A 93 -7.017 1.606 -0.240 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.666 0.608 1.273 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.890 1.207 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.982 -0.858 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.351 -1.281 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.585 0.243 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.646 1.710 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.553 0.107 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.189 -2.823 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.807 -1.896 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.463 -1.467 0.864 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.837 2.995 1.552 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.406 4.382 1.770 1.00 0.00 C ATOM 1344 C GLN A 94 -1.905 4.556 1.552 1.00 0.00 C ATOM 1345 O GLN A 94 -1.093 3.828 2.129 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.786 4.854 3.183 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.288 5.015 3.410 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.852 6.293 2.807 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.803 6.496 1.593 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.391 7.160 3.656 1.00 0.00 N ATOM 0 H GLN A 94 -3.434 2.320 2.202 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.925 4.996 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.395 4.141 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.297 5.808 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.808 4.158 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.490 5.006 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.410 6.951 4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.786 8.035 3.310 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.559 5.533 0.705 1.00 0.00 N ATOM 1360 CA ILE A 95 -0.162 5.852 0.386 1.00 0.00 C ATOM 1361 C ILE A 95 0.096 7.360 0.600 1.00 0.00 C ATOM 1362 O ILE A 95 -0.486 8.179 -0.119 1.00 0.00 O ATOM 1363 CB ILE A 95 0.218 5.463 -1.082 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.457 4.152 -1.512 1.00 0.00 C ATOM 1365 CG2 ILE A 95 1.732 5.334 -1.242 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.750 4.356 -2.267 1.00 0.00 C ATOM 0 H ILE A 95 -2.237 6.123 0.223 1.00 0.00 H new ATOM 0 HA ILE A 95 0.463 5.263 1.057 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.141 6.266 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.233 3.586 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.654 3.548 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.967 5.063 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.206 6.285 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.104 4.561 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.170 3.387 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.458 4.895 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.556 4.933 -3.171 1.00 0.00 H new ATOM 1378 N PRO A 96 0.960 7.767 1.590 1.00 0.00 N ATOM 1379 CA PRO A 96 1.263 9.197 1.842 1.00 0.00 C ATOM 1380 C PRO A 96 1.867 9.899 0.620 1.00 0.00 C ATOM 1381 O PRO A 96 2.810 9.390 0.005 1.00 0.00 O ATOM 1382 CB PRO A 96 2.284 9.164 2.986 1.00 0.00 C ATOM 1383 CG PRO A 96 2.090 7.842 3.641 1.00 0.00 C ATOM 1384 CD PRO A 96 1.684 6.894 2.548 1.00 0.00 C ATOM 0 HA PRO A 96 0.357 9.756 2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.301 9.272 2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.116 9.980 3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.007 7.508 4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.323 7.898 4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.549 6.420 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.046 6.095 2.925 1.00 0.00 H new ATOM 1392 N LEU A 97 1.308 11.065 0.279 1.00 0.00 N ATOM 1393 CA LEU A 97 1.773 11.843 -0.869 1.00 0.00 C ATOM 1394 C LEU A 97 2.089 13.283 -0.467 1.00 0.00 C ATOM 1395 O LEU A 97 1.292 13.931 0.218 1.00 0.00 O ATOM 1396 CB LEU A 97 0.711 11.830 -1.974 1.00 0.00 C ATOM 1397 CG LEU A 97 1.249 11.946 -3.402 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.218 10.593 -4.094 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.445 12.971 -4.190 1.00 0.00 C ATOM 0 H LEU A 97 0.531 11.490 0.785 1.00 0.00 H new ATOM 0 HA LEU A 97 2.689 11.385 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.138 10.906 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.017 12.652 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 97 2.285 12.283 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.604 10.694 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.836 9.886 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.192 10.227 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.840 13.042 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.600 12.662 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.518 13.943 -3.703 1.00 0.00 H new ATOM 1411 N ASP A 98 3.260 13.770 -0.900 1.00 0.00 N ATOM 1412 CA ASP A 98 3.696 15.140 -0.609 1.00 0.00 C ATOM 1413 C ASP A 98 3.312 16.074 -1.754 1.00 0.00 C ATOM 1414 O ASP A 98 3.357 15.682 -2.917 1.00 0.00 O ATOM 1415 CB ASP A 98 5.214 15.197 -0.381 1.00 0.00 C ATOM 1416 CG ASP A 98 5.670 14.408 0.840 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.995 14.479 1.890 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.706 13.717 0.741 1.00 0.00 O ATOM 0 H ASP A 98 3.924 13.231 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 98 3.195 15.465 0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.722 14.811 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.519 16.237 -0.267 1.00 0.00 H new ATOM 1423 N TYR A 99 2.918 17.306 -1.411 1.00 0.00 N ATOM 1424 CA TYR A 99 2.517 18.322 -2.404 1.00 0.00 C ATOM 1425 C TYR A 99 3.670 18.748 -3.326 1.00 0.00 C ATOM 1426 O TYR A 99 3.458 19.040 -4.506 1.00 0.00 O ATOM 1427 CB TYR A 99 1.958 19.560 -1.694 1.00 0.00 C ATOM 1428 CG TYR A 99 0.652 19.321 -0.966 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -0.542 19.237 -1.666 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.616 19.185 0.416 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -1.740 19.024 -1.012 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -0.577 18.970 1.079 1.00 0.00 C ATOM 1433 CZ TYR A 99 -1.753 18.891 0.360 1.00 0.00 C ATOM 1434 OH TYR A 99 -2.943 18.679 1.017 1.00 0.00 O ATOM 0 H TYR A 99 2.867 17.630 -0.445 1.00 0.00 H new ATOM 0 HA TYR A 99 1.752 17.860 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.698 19.921 -0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.812 20.352 -2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.535 19.340 -2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.534 19.248 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.661 18.962 -1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.590 18.864 2.154 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.777 18.607 1.980 1.00 0.00 H new ATOM 1444 N GLU A 100 4.881 18.773 -2.762 1.00 0.00 N ATOM 1445 CA GLU A 100 6.099 19.193 -3.476 1.00 0.00 C ATOM 1446 C GLU A 100 6.524 18.219 -4.599 1.00 0.00 C ATOM 1447 O GLU A 100 6.903 18.666 -5.686 1.00 0.00 O ATOM 1448 CB GLU A 100 7.241 19.362 -2.457 1.00 0.00 C ATOM 1449 CG GLU A 100 8.460 20.118 -2.982 1.00 0.00 C ATOM 1450 CD GLU A 100 9.595 20.165 -1.977 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.447 20.852 -0.944 1.00 0.00 O ATOM 1452 OE2 GLU A 100 10.633 19.514 -2.222 1.00 0.00 O ATOM 0 H GLU A 100 5.049 18.502 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 100 5.876 20.139 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.855 19.886 -1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.559 18.375 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.811 19.643 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.168 21.135 -3.242 1.00 0.00 H new ATOM 1459 N THR A 101 6.458 16.909 -4.334 1.00 0.00 N ATOM 1460 CA THR A 101 6.876 15.900 -5.323 1.00 0.00 C ATOM 1461 C THR A 101 5.721 15.057 -5.855 1.00 0.00 C ATOM 1462 O THR A 101 5.790 14.560 -6.982 1.00 0.00 O ATOM 1463 CB THR A 101 7.942 14.949 -4.735 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.527 14.481 -3.445 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.294 15.640 -4.620 1.00 0.00 C ATOM 0 H THR A 101 6.123 16.522 -3.452 1.00 0.00 H new ATOM 0 HA THR A 101 7.290 16.471 -6.154 1.00 0.00 H new ATOM 0 HB THR A 101 8.046 14.102 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.208 13.878 -3.081 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.023 14.945 -4.203 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.623 15.962 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.205 16.508 -3.967 1.00 0.00 H new ATOM 1473 N GLU A 102 4.650 14.903 -5.052 1.00 0.00 N ATOM 1474 CA GLU A 102 3.462 14.088 -5.421 1.00 0.00 C ATOM 1475 C GLU A 102 3.844 12.610 -5.658 1.00 0.00 C ATOM 1476 O GLU A 102 3.098 11.851 -6.291 1.00 0.00 O ATOM 1477 CB GLU A 102 2.740 14.667 -6.660 1.00 0.00 C ATOM 1478 CG GLU A 102 2.064 16.007 -6.412 1.00 0.00 C ATOM 1479 CD GLU A 102 1.319 16.519 -7.629 1.00 0.00 C ATOM 1480 OE1 GLU A 102 0.120 16.200 -7.770 1.00 0.00 O ATOM 1481 OE2 GLU A 102 1.936 17.239 -8.443 1.00 0.00 O ATOM 0 H GLU A 102 4.578 15.336 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 102 2.771 14.129 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.462 14.780 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.991 13.951 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.368 15.910 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.815 16.739 -6.116 1.00 0.00 H new ATOM 1488 N LYS A 103 5.007 12.220 -5.120 1.00 0.00 N ATOM 1489 CA LYS A 103 5.528 10.857 -5.263 1.00 0.00 C ATOM 1490 C LYS A 103 5.757 10.229 -3.889 1.00 0.00 C ATOM 1491 O LYS A 103 5.957 10.943 -2.901 1.00 0.00 O ATOM 1492 CB LYS A 103 6.853 10.850 -6.051 1.00 0.00 C ATOM 1493 CG LYS A 103 6.868 11.735 -7.297 1.00 0.00 C ATOM 1494 CD LYS A 103 7.612 11.071 -8.445 1.00 0.00 C ATOM 1495 CE LYS A 103 7.721 11.994 -9.647 1.00 0.00 C ATOM 1496 NZ LYS A 103 8.593 11.421 -10.710 1.00 0.00 N ATOM 0 H LYS A 103 5.609 12.838 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 103 4.788 10.275 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.655 11.171 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.076 9.825 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.844 11.952 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.339 12.689 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.610 10.783 -8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.095 10.156 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.727 12.179 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.120 12.957 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.641 12.081 -11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.549 11.268 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.199 10.514 -11.031 1.00 0.00 H new ATOM 1510 N HIS A 104 5.731 8.893 -3.835 1.00 0.00 N ATOM 1511 CA HIS A 104 5.948 8.164 -2.584 1.00 0.00 C ATOM 1512 C HIS A 104 7.327 7.494 -2.581 1.00 0.00 C ATOM 1513 O HIS A 104 7.907 7.251 -3.644 1.00 0.00 O ATOM 1514 CB HIS A 104 4.826 7.128 -2.352 1.00 0.00 C ATOM 1515 CG HIS A 104 4.754 6.021 -3.372 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.159 4.729 -3.106 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.320 6.022 -4.655 1.00 0.00 C ATOM 1518 CE1 HIS A 104 4.976 3.982 -4.182 1.00 0.00 C ATOM 1519 NE2 HIS A 104 4.469 4.743 -5.134 1.00 0.00 N ATOM 0 H HIS A 104 5.562 8.296 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 104 5.919 8.878 -1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.962 6.684 -1.366 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.869 7.650 -2.337 1.00 0.00 H new ATOM 0 HD2 HIS A 104 3.930 6.869 -5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.203 2.929 -4.267 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.227 4.431 -6.075 1.00 0.00 H new ATOM 1528 N ARG A 105 7.840 7.197 -1.378 1.00 0.00 N ATOM 1529 CA ARG A 105 9.150 6.552 -1.224 1.00 0.00 C ATOM 1530 C ARG A 105 9.046 5.025 -1.395 1.00 0.00 C ATOM 1531 O ARG A 105 10.058 4.316 -1.333 1.00 0.00 O ATOM 1532 CB ARG A 105 9.752 6.905 0.145 1.00 0.00 C ATOM 1533 CG ARG A 105 11.278 6.887 0.176 1.00 0.00 C ATOM 1534 CD ARG A 105 11.824 7.158 1.575 1.00 0.00 C ATOM 1535 NE ARG A 105 11.585 8.542 2.014 1.00 0.00 N ATOM 1536 CZ ARG A 105 12.486 9.533 1.947 1.00 0.00 C ATOM 1537 NH1 ARG A 105 13.710 9.321 1.466 1.00 0.00 N ATOM 1538 NH2 ARG A 105 12.158 10.747 2.366 1.00 0.00 N ATOM 0 H ARG A 105 7.366 7.394 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 105 9.809 6.926 -2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.405 7.896 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.375 6.202 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.636 5.918 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 105 11.664 7.636 -0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 105 11.360 6.471 2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.895 6.955 1.589 1.00 0.00 H new ATOM 0 HE ARG A 105 10.666 8.764 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.976 8.392 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 105 14.381 10.088 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 105 11.224 10.924 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 105 12.839 11.505 2.317 1.00 0.00 H new ATOM 1552 N GLY A 106 7.816 4.535 -1.620 1.00 0.00 N ATOM 1553 CA GLY A 106 7.591 3.110 -1.808 1.00 0.00 C ATOM 1554 C GLY A 106 7.038 2.410 -0.582 1.00 0.00 C ATOM 1555 O GLY A 106 7.487 1.310 -0.249 1.00 0.00 O ATOM 0 H GLY A 106 6.974 5.108 -1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.900 2.967 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.532 2.638 -2.091 1.00 0.00 H new ATOM 1559 N PHE A 107 6.081 3.056 0.108 1.00 0.00 N ATOM 1560 CA PHE A 107 5.437 2.460 1.286 1.00 0.00 C ATOM 1561 C PHE A 107 3.978 2.907 1.397 1.00 0.00 C ATOM 1562 O PHE A 107 3.629 4.029 1.018 1.00 0.00 O ATOM 1563 CB PHE A 107 6.221 2.754 2.587 1.00 0.00 C ATOM 1564 CG PHE A 107 6.277 4.202 3.009 1.00 0.00 C ATOM 1565 CD1 PHE A 107 7.218 5.063 2.469 1.00 0.00 C ATOM 1566 CD2 PHE A 107 5.396 4.689 3.960 1.00 0.00 C ATOM 1567 CE1 PHE A 107 7.279 6.384 2.872 1.00 0.00 C ATOM 1568 CE2 PHE A 107 5.450 6.008 4.365 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.394 6.857 3.819 1.00 0.00 C ATOM 0 H PHE A 107 5.739 3.987 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 107 5.447 1.379 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.774 2.177 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.242 2.392 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.911 4.699 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.657 4.029 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 107 8.019 7.045 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.756 6.375 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.439 7.889 4.133 1.00 0.00 H new ATOM 1579 N ALA A 108 3.139 2.006 1.928 1.00 0.00 N ATOM 1580 CA ALA A 108 1.699 2.247 2.096 1.00 0.00 C ATOM 1581 C ALA A 108 1.130 1.377 3.223 1.00 0.00 C ATOM 1582 O ALA A 108 1.841 0.536 3.781 1.00 0.00 O ATOM 1583 CB ALA A 108 0.963 1.950 0.790 1.00 0.00 C ATOM 0 H ALA A 108 3.441 1.088 2.254 1.00 0.00 H new ATOM 0 HA ALA A 108 1.555 3.295 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.103 2.131 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.345 2.598 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.122 0.908 0.512 1.00 0.00 H new ATOM 1589 N PHE A 109 -0.141 1.611 3.577 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.824 0.816 4.600 1.00 0.00 C ATOM 1591 C PHE A 109 -1.977 0.060 3.950 1.00 0.00 C ATOM 1592 O PHE A 109 -2.650 0.596 3.063 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.356 1.691 5.746 1.00 0.00 C ATOM 1594 CG PHE A 109 -0.297 2.496 6.450 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.373 1.976 7.545 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.025 3.772 6.016 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.346 2.711 8.194 1.00 0.00 C ATOM 1598 CE2 PHE A 109 0.998 4.513 6.661 1.00 0.00 C ATOM 1599 CZ PHE A 109 1.659 3.982 7.752 1.00 0.00 C ATOM 0 H PHE A 109 -0.716 2.347 3.167 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.104 0.119 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.110 2.371 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.855 1.052 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.132 0.983 7.896 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.490 4.192 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.861 2.293 9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.241 5.506 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.419 4.559 8.258 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.204 -1.177 4.392 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.278 -2.004 3.839 1.00 0.00 C ATOM 1611 C VAL A 110 -4.356 -2.270 4.900 1.00 0.00 C ATOM 1612 O VAL A 110 -4.043 -2.605 6.047 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.711 -3.333 3.220 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -2.023 -4.224 4.258 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.793 -4.116 2.475 1.00 0.00 C ATOM 0 H VAL A 110 -1.661 -1.628 5.129 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.752 -1.456 3.024 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.950 -3.028 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.651 -5.127 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.189 -3.683 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.738 -4.497 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.363 -5.028 2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.596 -4.374 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.193 -3.504 1.666 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.620 -2.116 4.491 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.760 -2.314 5.382 1.00 0.00 C ATOM 1627 C GLU A 111 -7.508 -3.602 5.023 1.00 0.00 C ATOM 1628 O GLU A 111 -7.917 -3.790 3.874 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.701 -1.103 5.278 1.00 0.00 C ATOM 1630 CG GLU A 111 -8.586 -0.884 6.500 1.00 0.00 C ATOM 1631 CD GLU A 111 -9.631 0.193 6.281 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -9.251 1.378 6.165 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -10.832 -0.148 6.229 1.00 0.00 O ATOM 0 H GLU A 111 -5.877 -1.853 3.540 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.401 -2.407 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.103 -0.207 5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.337 -1.227 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.083 -1.820 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.962 -0.611 7.351 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.681 -4.475 6.018 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.391 -5.740 5.834 1.00 0.00 C ATOM 1642 C PHE A 112 -9.702 -5.739 6.609 1.00 0.00 C ATOM 1643 O PHE A 112 -9.749 -5.285 7.756 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.524 -6.924 6.277 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.554 -7.401 5.231 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.273 -6.874 5.149 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.926 -8.387 4.330 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.387 -7.324 4.189 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -6.044 -8.838 3.369 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.773 -8.307 3.299 1.00 0.00 C ATOM 0 H PHE A 112 -7.336 -4.326 6.966 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.610 -5.847 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.968 -6.639 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.175 -7.752 6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.966 -6.105 5.842 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.919 -8.808 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.392 -6.907 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.349 -9.606 2.673 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.080 -8.660 2.549 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.766 -6.253 5.973 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.099 -6.331 6.592 1.00 0.00 C ATOM 1662 C GLU A 113 -12.089 -7.297 7.793 1.00 0.00 C ATOM 1663 O GLU A 113 -12.763 -7.054 8.798 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.135 -6.771 5.542 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.586 -6.552 5.952 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.574 -7.127 4.954 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.591 -8.364 4.775 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.331 -6.339 4.348 1.00 0.00 O ATOM 0 H GLU A 113 -10.728 -6.623 5.023 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.374 -5.344 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.947 -6.228 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.988 -7.829 5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.756 -7.008 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.770 -5.483 6.063 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.319 -8.383 7.662 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.187 -9.384 8.719 1.00 0.00 C ATOM 1677 C LEU A 114 -9.837 -9.269 9.409 1.00 0.00 C ATOM 1678 O LEU A 114 -8.820 -9.019 8.761 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.339 -10.805 8.154 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.762 -11.222 7.765 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.131 -10.683 6.390 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.890 -12.737 7.792 1.00 0.00 C ATOM 0 H LEU A 114 -10.774 -8.589 6.825 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.981 -9.197 9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.701 -10.896 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.964 -11.512 8.894 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.454 -10.796 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.145 -10.993 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.076 -9.594 6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.436 -11.075 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.905 -13.021 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.184 -13.174 7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.673 -13.103 8.796 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.845 -9.434 10.732 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.620 -9.394 11.537 1.00 0.00 C ATOM 1696 C ALA A 115 -7.811 -10.688 11.369 1.00 0.00 C ATOM 1697 O ALA A 115 -6.599 -10.711 11.602 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.956 -9.165 13.004 1.00 0.00 C ATOM 0 H ALA A 115 -10.693 -9.598 11.274 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.009 -8.563 11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.036 -9.138 13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.483 -8.217 13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.590 -9.976 13.363 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.512 -11.760 10.957 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.912 -13.084 10.738 1.00 0.00 C ATOM 1706 C GLU A 116 -7.046 -13.118 9.471 1.00 0.00 C ATOM 1707 O GLU A 116 -5.892 -13.563 9.512 1.00 0.00 O ATOM 1708 CB GLU A 116 -9.019 -14.145 10.640 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.722 -14.466 11.960 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.812 -15.092 13.012 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.151 -16.109 12.705 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -8.761 -14.561 14.141 1.00 0.00 O ATOM 0 H GLU A 116 -9.514 -11.730 10.767 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.264 -13.300 11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.765 -13.806 9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.588 -15.064 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.150 -13.549 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.552 -15.145 11.762 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.609 -12.629 8.353 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.898 -12.588 7.064 1.00 0.00 C ATOM 1721 C ASP A 117 -5.716 -11.605 7.099 1.00 0.00 C ATOM 1722 O ASP A 117 -4.699 -11.825 6.435 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.868 -12.293 5.894 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.643 -10.979 5.996 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.107 -9.997 6.546 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.794 -10.940 5.513 1.00 0.00 O ATOM 0 H ASP A 117 -8.557 -12.256 8.316 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.477 -13.578 6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.298 -12.287 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.584 -13.112 5.823 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.869 -10.523 7.884 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.825 -9.501 8.052 1.00 0.00 C ATOM 1733 C ALA A 118 -3.595 -10.082 8.757 1.00 0.00 C ATOM 1734 O ALA A 118 -2.454 -9.815 8.359 1.00 0.00 O ATOM 1735 CB ALA A 118 -5.377 -8.326 8.845 1.00 0.00 C ATOM 0 H ALA A 118 -6.718 -10.335 8.417 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.518 -9.157 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.600 -7.572 8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.223 -7.892 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.705 -8.671 9.826 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.848 -10.890 9.804 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.784 -11.557 10.564 1.00 0.00 C ATOM 1743 C ALA A 119 -2.066 -12.579 9.682 1.00 0.00 C ATOM 1744 O ALA A 119 -0.876 -12.856 9.871 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.359 -12.231 11.802 1.00 0.00 C ATOM 0 H ALA A 119 -4.788 -11.095 10.141 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.061 -10.807 10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.558 -12.721 12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.833 -11.482 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.099 -12.973 11.502 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.818 -13.125 8.711 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.290 -14.103 7.748 1.00 0.00 C ATOM 1753 C ALA A 120 -1.295 -13.443 6.787 1.00 0.00 C ATOM 1754 O ALA A 120 -0.278 -14.041 6.416 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.430 -14.743 6.967 1.00 0.00 C ATOM 0 H ALA A 120 -3.804 -12.901 8.573 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.764 -14.878 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.025 -15.465 6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.104 -15.251 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.979 -13.972 6.426 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.603 -12.188 6.408 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.758 -11.399 5.505 1.00 0.00 C ATOM 1763 C ALA A 121 0.592 -11.069 6.147 1.00 0.00 C ATOM 1764 O ALA A 121 1.619 -11.073 5.468 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.478 -10.121 5.091 1.00 0.00 C ATOM 0 H ALA A 121 -2.442 -11.699 6.720 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.564 -12.000 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.840 -9.545 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.406 -10.376 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.704 -9.527 5.977 1.00 0.00 H new ATOM 1771 N ILE A 122 0.578 -10.781 7.461 1.00 0.00 N ATOM 1772 CA ILE A 122 1.809 -10.469 8.210 1.00 0.00 C ATOM 1773 C ILE A 122 2.693 -11.717 8.376 1.00 0.00 C ATOM 1774 O ILE A 122 3.920 -11.610 8.400 1.00 0.00 O ATOM 1775 CB ILE A 122 1.511 -9.806 9.596 1.00 0.00 C ATOM 1776 CG1 ILE A 122 0.746 -8.484 9.390 1.00 0.00 C ATOM 1777 CG2 ILE A 122 2.808 -9.543 10.380 1.00 0.00 C ATOM 1778 CD1 ILE A 122 -0.059 -8.023 10.590 1.00 0.00 C ATOM 0 H ILE A 122 -0.271 -10.758 8.026 1.00 0.00 H new ATOM 0 HA ILE A 122 2.359 -9.738 7.618 1.00 0.00 H new ATOM 0 HB ILE A 122 0.899 -10.496 10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.461 -7.704 9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.073 -8.598 8.540 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.567 -9.082 11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.327 -10.486 10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.450 -8.874 9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.562 -7.086 10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.802 -8.780 10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.608 -7.871 11.439 1.00 0.00 H new ATOM 1790 N ASP A 123 2.057 -12.886 8.494 1.00 0.00 N ATOM 1791 CA ASP A 123 2.769 -14.159 8.658 1.00 0.00 C ATOM 1792 C ASP A 123 3.540 -14.580 7.394 1.00 0.00 C ATOM 1793 O ASP A 123 4.631 -15.150 7.499 1.00 0.00 O ATOM 1794 CB ASP A 123 1.778 -15.258 9.055 1.00 0.00 C ATOM 1795 CG ASP A 123 2.409 -16.331 9.925 1.00 0.00 C ATOM 1796 OD1 ASP A 123 2.929 -17.319 9.366 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.383 -16.181 11.164 1.00 0.00 O ATOM 0 H ASP A 123 1.041 -12.978 8.479 1.00 0.00 H new ATOM 0 HA ASP A 123 3.507 -14.014 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.940 -14.810 9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.373 -15.719 8.154 1.00 0.00 H new ATOM 1802 N ASN A 124 2.973 -14.298 6.209 1.00 0.00 N ATOM 1803 CA ASN A 124 3.603 -14.695 4.939 1.00 0.00 C ATOM 1804 C ASN A 124 4.256 -13.544 4.156 1.00 0.00 C ATOM 1805 O ASN A 124 5.269 -13.767 3.484 1.00 0.00 O ATOM 1806 CB ASN A 124 2.573 -15.391 4.044 1.00 0.00 C ATOM 1807 CG ASN A 124 2.205 -16.779 4.540 1.00 0.00 C ATOM 1808 OD1 ASN A 124 3.073 -17.626 4.761 1.00 0.00 O ATOM 1809 ND2 ASN A 124 0.911 -17.019 4.717 1.00 0.00 N ATOM 0 H ASN A 124 2.088 -13.802 6.104 1.00 0.00 H new ATOM 0 HA ASN A 124 4.412 -15.371 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.673 -14.779 3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 124 2.969 -15.465 3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.602 -17.933 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 124 0.226 -16.289 4.522 1.00 0.00 H new ATOM 1816 N MET A 125 3.697 -12.328 4.233 1.00 0.00 N ATOM 1817 CA MET A 125 4.224 -11.187 3.463 1.00 0.00 C ATOM 1818 C MET A 125 5.196 -10.295 4.253 1.00 0.00 C ATOM 1819 O MET A 125 5.663 -9.280 3.723 1.00 0.00 O ATOM 1820 CB MET A 125 3.069 -10.335 2.912 1.00 0.00 C ATOM 1821 CG MET A 125 2.217 -11.043 1.862 1.00 0.00 C ATOM 1822 SD MET A 125 3.160 -11.602 0.423 1.00 0.00 S ATOM 1823 CE MET A 125 3.436 -10.065 -0.459 1.00 0.00 C ATOM 0 H MET A 125 2.888 -12.108 4.814 1.00 0.00 H new ATOM 0 HA MET A 125 4.799 -11.622 2.645 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.428 -10.032 3.740 1.00 0.00 H new ATOM 0 HB3 MET A 125 3.480 -9.424 2.477 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.728 -11.902 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.429 -10.367 1.530 1.00 0.00 H new ATOM 0 HE1 MET A 125 2.818 -10.045 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 125 3.171 -9.225 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 125 4.487 -9.990 -0.740 1.00 0.00 H new ATOM 1833 N ASN A 126 5.526 -10.676 5.500 1.00 0.00 N ATOM 1834 CA ASN A 126 6.450 -9.890 6.348 1.00 0.00 C ATOM 1835 C ASN A 126 7.814 -9.677 5.662 1.00 0.00 C ATOM 1836 O ASN A 126 8.421 -8.609 5.787 1.00 0.00 O ATOM 1837 CB ASN A 126 6.650 -10.589 7.700 1.00 0.00 C ATOM 1838 CG ASN A 126 7.098 -9.642 8.804 1.00 0.00 C ATOM 1839 OD1 ASN A 126 8.032 -8.858 8.630 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.429 -9.712 9.950 1.00 0.00 N ATOM 0 H ASN A 126 5.169 -11.521 5.945 1.00 0.00 H new ATOM 0 HA ASN A 126 5.999 -8.911 6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 126 5.716 -11.066 7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.391 -11.381 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.683 -9.102 10.727 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.661 -10.376 10.053 1.00 0.00 H new ATOM 1847 N GLU A 127 8.276 -10.711 4.945 1.00 0.00 N ATOM 1848 CA GLU A 127 9.549 -10.673 4.216 1.00 0.00 C ATOM 1849 C GLU A 127 9.403 -11.392 2.873 1.00 0.00 C ATOM 1850 O GLU A 127 9.904 -12.508 2.674 1.00 0.00 O ATOM 1851 CB GLU A 127 10.682 -11.287 5.054 1.00 0.00 C ATOM 1852 CG GLU A 127 11.106 -10.417 6.223 1.00 0.00 C ATOM 1853 CD GLU A 127 12.147 -11.080 7.103 1.00 0.00 C ATOM 1854 OE1 GLU A 127 11.776 -11.983 7.883 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.332 -10.699 7.011 1.00 0.00 O ATOM 0 H GLU A 127 7.777 -11.596 4.855 1.00 0.00 H new ATOM 0 HA GLU A 127 9.812 -9.632 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.360 -12.258 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.544 -11.465 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.504 -9.476 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.230 -10.173 6.825 1.00 0.00 H new ATOM 1862 N SER A 128 8.694 -10.732 1.960 1.00 0.00 N ATOM 1863 CA SER A 128 8.439 -11.268 0.622 1.00 0.00 C ATOM 1864 C SER A 128 8.899 -10.293 -0.460 1.00 0.00 C ATOM 1865 O SER A 128 9.033 -9.093 -0.208 1.00 0.00 O ATOM 1866 CB SER A 128 6.947 -11.578 0.455 1.00 0.00 C ATOM 1867 OG SER A 128 6.696 -12.279 -0.752 1.00 0.00 O ATOM 0 H SER A 128 8.281 -9.814 2.124 1.00 0.00 H new ATOM 0 HA SER A 128 9.011 -12.189 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.600 -12.171 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.378 -10.649 0.463 1.00 0.00 H new ATOM 0 HG SER A 128 5.771 -12.603 -0.756 1.00 0.00 H new ATOM 1873 N GLU A 129 9.158 -10.828 -1.660 1.00 0.00 N ATOM 1874 CA GLU A 129 9.603 -10.021 -2.792 1.00 0.00 C ATOM 1875 C GLU A 129 8.411 -9.589 -3.656 1.00 0.00 C ATOM 1876 O GLU A 129 7.666 -10.429 -4.174 1.00 0.00 O ATOM 1877 CB GLU A 129 10.612 -10.821 -3.626 1.00 0.00 C ATOM 1878 CG GLU A 129 11.546 -9.956 -4.460 1.00 0.00 C ATOM 1879 CD GLU A 129 12.429 -10.766 -5.393 1.00 0.00 C ATOM 1880 OE1 GLU A 129 11.885 -11.445 -6.290 1.00 0.00 O ATOM 1881 OE2 GLU A 129 13.665 -10.720 -5.225 1.00 0.00 O ATOM 0 H GLU A 129 9.065 -11.822 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 129 10.085 -9.119 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.208 -11.443 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.068 -11.494 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.954 -9.254 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.175 -9.365 -3.795 1.00 0.00 H new ATOM 1888 N LEU A 130 8.248 -8.271 -3.788 1.00 0.00 N ATOM 1889 CA LEU A 130 7.173 -7.682 -4.584 1.00 0.00 C ATOM 1890 C LEU A 130 7.753 -6.663 -5.564 1.00 0.00 C ATOM 1891 O LEU A 130 8.502 -5.767 -5.162 1.00 0.00 O ATOM 1892 CB LEU A 130 6.131 -7.022 -3.662 1.00 0.00 C ATOM 1893 CG LEU A 130 4.799 -6.621 -4.319 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.822 -7.790 -4.324 1.00 0.00 C ATOM 1895 CD2 LEU A 130 4.194 -5.424 -3.602 1.00 0.00 C ATOM 0 H LEU A 130 8.858 -7.584 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 130 6.676 -8.467 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.916 -7.708 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.578 -6.130 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 130 4.999 -6.343 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.888 -7.482 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.252 -8.621 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.626 -8.105 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 130 3.252 -5.152 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 130 4.012 -5.679 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.884 -4.582 -3.655 1.00 0.00 H new ATOM 1907 N PHE A 131 7.399 -6.808 -6.858 1.00 0.00 N ATOM 1908 CA PHE A 131 7.873 -5.914 -7.947 1.00 0.00 C ATOM 1909 C PHE A 131 9.409 -5.960 -8.122 1.00 0.00 C ATOM 1910 O PHE A 131 9.997 -5.091 -8.778 1.00 0.00 O ATOM 1911 CB PHE A 131 7.401 -4.462 -7.721 1.00 0.00 C ATOM 1912 CG PHE A 131 6.805 -3.821 -8.945 1.00 0.00 C ATOM 1913 CD1 PHE A 131 7.612 -3.165 -9.862 1.00 0.00 C ATOM 1914 CD2 PHE A 131 5.439 -3.874 -9.178 1.00 0.00 C ATOM 1915 CE1 PHE A 131 7.067 -2.574 -10.988 1.00 0.00 C ATOM 1916 CE2 PHE A 131 4.890 -3.286 -10.301 1.00 0.00 C ATOM 1917 CZ PHE A 131 5.705 -2.636 -11.208 1.00 0.00 C ATOM 0 H PHE A 131 6.776 -7.548 -7.182 1.00 0.00 H new ATOM 0 HA PHE A 131 7.429 -6.287 -8.870 1.00 0.00 H new ATOM 0 HB2 PHE A 131 6.662 -4.450 -6.920 1.00 0.00 H new ATOM 0 HB3 PHE A 131 8.247 -3.863 -7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.678 -3.115 -9.695 1.00 0.00 H new ATOM 0 HD2 PHE A 131 4.797 -4.381 -8.473 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.706 -2.065 -11.694 1.00 0.00 H new ATOM 0 HE2 PHE A 131 3.824 -3.334 -10.470 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.278 -2.177 -12.087 1.00 0.00 H new ATOM 1927 N GLY A 132 10.042 -6.992 -7.544 1.00 0.00 N ATOM 1928 CA GLY A 132 11.491 -7.149 -7.634 1.00 0.00 C ATOM 1929 C GLY A 132 12.236 -6.611 -6.418 1.00 0.00 C ATOM 1930 O GLY A 132 13.470 -6.579 -6.413 1.00 0.00 O ATOM 0 H GLY A 132 9.571 -7.724 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.727 -8.206 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.850 -6.636 -8.526 1.00 0.00 H new ATOM 1934 N ARG A 133 11.484 -6.188 -5.393 1.00 0.00 N ATOM 1935 CA ARG A 133 12.067 -5.645 -4.161 1.00 0.00 C ATOM 1936 C ARG A 133 11.509 -6.364 -2.935 1.00 0.00 C ATOM 1937 O ARG A 133 10.393 -6.885 -2.973 1.00 0.00 O ATOM 1938 CB ARG A 133 11.776 -4.143 -4.039 1.00 0.00 C ATOM 1939 CG ARG A 133 12.461 -3.280 -5.090 1.00 0.00 C ATOM 1940 CD ARG A 133 12.164 -1.804 -4.871 1.00 0.00 C ATOM 1941 NE ARG A 133 12.960 -1.233 -3.776 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.319 0.056 -3.684 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.963 0.940 -4.615 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.039 0.462 -2.647 1.00 0.00 N ATOM 0 H ARG A 133 10.464 -6.212 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 133 13.145 -5.801 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.699 -3.988 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.087 -3.805 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.538 -3.446 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 133 12.125 -3.577 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.367 -1.254 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.104 -1.677 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 133 13.261 -1.862 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.407 0.641 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.246 1.916 -4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.316 -0.204 -1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.316 1.441 -2.570 1.00 0.00 H new ATOM 1958 N THR A 134 12.291 -6.381 -1.845 1.00 0.00 N ATOM 1959 CA THR A 134 11.870 -7.019 -0.590 1.00 0.00 C ATOM 1960 C THR A 134 10.972 -6.063 0.202 1.00 0.00 C ATOM 1961 O THR A 134 11.292 -4.878 0.339 1.00 0.00 O ATOM 1962 CB THR A 134 13.085 -7.432 0.281 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.181 -7.827 -0.555 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.732 -8.587 1.216 1.00 0.00 C ATOM 0 H THR A 134 13.219 -5.960 -1.808 1.00 0.00 H new ATOM 0 HA THR A 134 11.318 -7.923 -0.846 1.00 0.00 H new ATOM 0 HB THR A 134 13.367 -6.568 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.943 -8.084 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.605 -8.852 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.919 -8.285 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.419 -9.449 0.627 1.00 0.00 H new ATOM 1972 N ILE A 135 9.856 -6.586 0.715 1.00 0.00 N ATOM 1973 CA ILE A 135 8.901 -5.770 1.473 1.00 0.00 C ATOM 1974 C ILE A 135 8.726 -6.268 2.909 1.00 0.00 C ATOM 1975 O ILE A 135 8.940 -7.448 3.200 1.00 0.00 O ATOM 1976 CB ILE A 135 7.508 -5.676 0.771 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.919 -7.071 0.454 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.617 -4.838 -0.504 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.419 -7.169 0.662 1.00 0.00 C ATOM 0 H ILE A 135 9.591 -7.566 0.621 1.00 0.00 H new ATOM 0 HA ILE A 135 9.333 -4.770 1.506 1.00 0.00 H new ATOM 0 HB ILE A 135 6.823 -5.189 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.149 -7.325 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.412 -7.813 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.641 -4.779 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.958 -3.834 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.330 -5.303 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.083 -8.177 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.181 -6.948 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.914 -6.452 0.014 1.00 0.00 H new ATOM 1991 N ARG A 136 8.335 -5.343 3.793 1.00 0.00 N ATOM 1992 CA ARG A 136 8.113 -5.652 5.208 1.00 0.00 C ATOM 1993 C ARG A 136 6.685 -5.290 5.585 1.00 0.00 C ATOM 1994 O ARG A 136 6.209 -4.208 5.224 1.00 0.00 O ATOM 1995 CB ARG A 136 9.063 -4.849 6.113 1.00 0.00 C ATOM 1996 CG ARG A 136 10.532 -4.938 5.736 1.00 0.00 C ATOM 1997 CD ARG A 136 11.420 -4.344 6.817 1.00 0.00 C ATOM 1998 NE ARG A 136 12.831 -4.318 6.415 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.755 -3.491 6.923 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.441 -2.600 7.862 1.00 0.00 N ATOM 2001 NH2 ARG A 136 15.004 -3.556 6.484 1.00 0.00 N ATOM 0 H ARG A 136 8.165 -4.367 3.549 1.00 0.00 H new ATOM 0 HA ARG A 136 8.299 -6.717 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.761 -3.802 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 136 8.944 -5.197 7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.804 -5.981 5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.700 -4.413 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.088 -3.330 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.314 -4.925 7.733 1.00 0.00 H new ATOM 0 HE ARG A 136 13.130 -4.977 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.483 -2.539 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.159 -1.979 8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.257 -4.233 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.712 -2.929 6.866 1.00 0.00 H new ATOM 2015 N VAL A 137 6.000 -6.184 6.302 1.00 0.00 N ATOM 2016 CA VAL A 137 4.627 -5.906 6.726 1.00 0.00 C ATOM 2017 C VAL A 137 4.448 -6.192 8.222 1.00 0.00 C ATOM 2018 O VAL A 137 4.964 -7.185 8.745 1.00 0.00 O ATOM 2019 CB VAL A 137 3.534 -6.647 5.867 1.00 0.00 C ATOM 2020 CG1 VAL A 137 3.978 -6.879 4.428 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.090 -7.957 6.486 1.00 0.00 C ATOM 0 H VAL A 137 6.365 -7.090 6.596 1.00 0.00 H new ATOM 0 HA VAL A 137 4.467 -4.842 6.550 1.00 0.00 H new ATOM 0 HB VAL A 137 2.678 -5.972 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.187 -7.393 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.184 -5.920 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.881 -7.490 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.337 -8.423 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.947 -8.624 6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.666 -7.768 7.472 1.00 0.00 H new ATOM 2031 N ASN A 138 3.719 -5.293 8.896 1.00 0.00 N ATOM 2032 CA ASN A 138 3.441 -5.401 10.338 1.00 0.00 C ATOM 2033 C ASN A 138 2.112 -4.725 10.681 1.00 0.00 C ATOM 2034 O ASN A 138 1.507 -4.076 9.829 1.00 0.00 O ATOM 2035 CB ASN A 138 4.576 -4.776 11.163 1.00 0.00 C ATOM 2036 CG ASN A 138 5.618 -5.795 11.580 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.304 -6.793 12.230 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.867 -5.546 11.212 1.00 0.00 N ATOM 0 H ASN A 138 3.305 -4.470 8.459 1.00 0.00 H new ATOM 0 HA ASN A 138 3.373 -6.460 10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.055 -3.989 10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.158 -4.304 12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.613 -6.194 11.467 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.082 -4.707 10.674 1.00 0.00 H new ATOM 2045 N LEU A 139 1.653 -4.887 11.934 1.00 0.00 N ATOM 2046 CA LEU A 139 0.392 -4.277 12.387 1.00 0.00 C ATOM 2047 C LEU A 139 0.527 -2.755 12.508 1.00 0.00 C ATOM 2048 O LEU A 139 1.469 -2.256 13.131 1.00 0.00 O ATOM 2049 CB LEU A 139 -0.042 -4.865 13.736 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.417 -6.353 13.724 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -0.269 -6.941 15.115 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -1.844 -6.554 13.220 1.00 0.00 C ATOM 0 H LEU A 139 2.135 -5.433 12.648 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.369 -4.502 11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.767 -4.719 14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.898 -4.297 14.101 1.00 0.00 H new ATOM 0 HG LEU A 139 0.261 -6.868 13.044 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.538 -7.997 15.094 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.764 -6.836 15.446 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.927 -6.413 15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.084 -7.617 13.222 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.538 -6.024 13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.930 -6.164 12.206 1.00 0.00 H new ATOM 2064 N ALA A 140 -0.427 -2.035 11.907 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.434 -0.571 11.921 1.00 0.00 C ATOM 2066 C ALA A 140 -1.308 -0.032 13.049 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.912 -0.035 10.577 1.00 0.00 C ATOM 0 H ALA A 140 -1.210 -2.449 11.401 1.00 0.00 H new ATOM 0 HA ALA A 140 0.586 -0.230 12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.913 1.055 10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.244 -0.381 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.922 -0.395 10.380 1.00 0.00 H new