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= -0.785 F(o=-1.6,f=-0.78) USER MOD Single : A 91 THR OG1 : rot 115:sc= -1.96! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.000645 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-0.99) USER MOD Single : A 124 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.15) USER MOD Single : A 125 MET CE :methyl 171:sc=-0.00193 (180deg=-0.185) USER MOD Single : A 126 ASN : amide:sc= 0.0928 K(o=0.093,f=-4.5!) USER MOD Single : A 128 SER OG : rot -130:sc= -0.116 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -6.364 -4.118 12.140 1.00 0.00 N ATOM 883 CA ARG A 64 -6.693 -4.475 10.753 1.00 0.00 C ATOM 884 C ARG A 64 -5.851 -3.685 9.735 1.00 0.00 C ATOM 885 O ARG A 64 -5.992 -3.880 8.523 1.00 0.00 O ATOM 886 CB ARG A 64 -8.188 -4.253 10.493 1.00 0.00 C ATOM 887 CG ARG A 64 -9.095 -5.270 11.170 1.00 0.00 C ATOM 888 CD ARG A 64 -10.559 -5.008 10.861 1.00 0.00 C ATOM 889 NE ARG A 64 -11.447 -5.917 11.595 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.147 -5.583 12.689 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.084 -4.355 13.201 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.919 -6.489 13.273 1.00 0.00 N ATOM 0 HA ARG A 64 -6.454 -5.530 10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.461 -3.255 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.367 -4.282 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.827 -6.274 10.840 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.939 -5.237 12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.804 -3.977 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.729 -5.121 9.790 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.538 -6.872 11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.495 -3.648 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.624 -4.121 14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.977 -7.432 12.890 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.454 -6.243 14.105 1.00 0.00 H new ATOM 906 N VAL A 65 -4.972 -2.805 10.237 1.00 0.00 N ATOM 907 CA VAL A 65 -4.104 -1.988 9.376 1.00 0.00 C ATOM 908 C VAL A 65 -2.667 -2.519 9.447 1.00 0.00 C ATOM 909 O VAL A 65 -2.143 -2.752 10.540 1.00 0.00 O ATOM 910 CB VAL A 65 -4.125 -0.479 9.777 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.508 0.396 8.687 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.542 0.002 10.086 1.00 0.00 C ATOM 0 H VAL A 65 -4.843 -2.641 11.235 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.486 -2.062 8.358 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.524 -0.386 10.682 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.539 1.440 8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.473 0.096 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.072 0.276 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.516 1.056 10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.171 -0.128 9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.951 -0.579 10.913 1.00 0.00 H new ATOM 922 N LEU A 66 -2.048 -2.711 8.276 1.00 0.00 N ATOM 923 CA LEU A 66 -0.673 -3.224 8.194 1.00 0.00 C ATOM 924 C LEU A 66 0.222 -2.259 7.416 1.00 0.00 C ATOM 925 O LEU A 66 -0.264 -1.461 6.609 1.00 0.00 O ATOM 926 CB LEU A 66 -0.618 -4.626 7.534 1.00 0.00 C ATOM 927 CG LEU A 66 -1.934 -5.424 7.461 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.784 -6.579 6.485 1.00 0.00 C ATOM 929 CD2 LEU A 66 -2.347 -5.945 8.833 1.00 0.00 C ATOM 0 H LEU A 66 -2.477 -2.519 7.371 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.307 -3.312 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.239 -4.507 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.111 -5.227 8.078 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.718 -4.753 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.718 -7.139 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.544 -6.190 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.983 -7.237 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.279 -6.503 8.745 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.568 -6.600 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.490 -5.105 9.513 1.00 0.00 H new ATOM 941 N TYR A 67 1.530 -2.349 7.670 1.00 0.00 N ATOM 942 CA TYR A 67 2.526 -1.522 6.992 1.00 0.00 C ATOM 943 C TYR A 67 3.163 -2.313 5.855 1.00 0.00 C ATOM 944 O TYR A 67 3.506 -3.477 6.032 1.00 0.00 O ATOM 945 CB TYR A 67 3.611 -1.061 7.996 1.00 0.00 C ATOM 946 CG TYR A 67 4.835 -0.397 7.367 1.00 0.00 C ATOM 947 CD1 TYR A 67 4.868 0.972 7.129 1.00 0.00 C ATOM 948 CD2 TYR A 67 5.951 -1.152 7.005 1.00 0.00 C ATOM 949 CE1 TYR A 67 5.975 1.568 6.549 1.00 0.00 C ATOM 950 CE2 TYR A 67 7.061 -0.563 6.425 1.00 0.00 C ATOM 951 CZ TYR A 67 7.067 0.798 6.199 1.00 0.00 C ATOM 952 OH TYR A 67 8.166 1.390 5.623 1.00 0.00 O ATOM 0 H TYR A 67 1.926 -2.997 8.351 1.00 0.00 H new ATOM 0 HA TYR A 67 2.036 -0.639 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.159 -0.362 8.700 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.942 -1.925 8.572 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.018 1.580 7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.949 -2.218 7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.985 2.633 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.916 -1.164 6.151 1.00 0.00 H new ATOM 0 HH TYR A 67 8.846 0.709 5.439 1.00 0.00 H new ATOM 962 N VAL A 68 3.298 -1.680 4.695 1.00 0.00 N ATOM 963 CA VAL A 68 3.947 -2.311 3.547 1.00 0.00 C ATOM 964 C VAL A 68 4.930 -1.331 2.914 1.00 0.00 C ATOM 965 O VAL A 68 4.528 -0.293 2.381 1.00 0.00 O ATOM 966 CB VAL A 68 2.944 -2.859 2.484 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.378 -4.195 2.941 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.804 -1.885 2.178 1.00 0.00 C ATOM 0 H VAL A 68 2.967 -0.731 4.523 1.00 0.00 H new ATOM 0 HA VAL A 68 4.481 -3.184 3.922 1.00 0.00 H new ATOM 0 HB VAL A 68 3.506 -2.988 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.679 -4.569 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.191 -4.910 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.858 -4.064 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.141 -2.324 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.242 -1.685 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.216 -0.952 1.793 1.00 0.00 H new ATOM 978 N GLY A 69 6.217 -1.680 2.981 1.00 0.00 N ATOM 979 CA GLY A 69 7.261 -0.828 2.436 1.00 0.00 C ATOM 980 C GLY A 69 8.223 -1.581 1.553 1.00 0.00 C ATOM 981 O GLY A 69 8.458 -2.770 1.763 1.00 0.00 O ATOM 0 H GLY A 69 6.554 -2.544 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.804 -0.021 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.812 -0.365 3.255 1.00 0.00 H new ATOM 985 N GLY A 70 8.788 -0.874 0.576 1.00 0.00 N ATOM 986 CA GLY A 70 9.725 -1.480 -0.356 1.00 0.00 C ATOM 987 C GLY A 70 9.069 -1.789 -1.687 1.00 0.00 C ATOM 988 O GLY A 70 9.366 -2.810 -2.311 1.00 0.00 O ATOM 0 H GLY A 70 8.611 0.117 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.569 -0.808 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.125 -2.398 0.075 1.00 0.00 H new ATOM 992 N LEU A 71 8.166 -0.896 -2.106 1.00 0.00 N ATOM 993 CA LEU A 71 7.429 -1.045 -3.361 1.00 0.00 C ATOM 994 C LEU A 71 8.119 -0.296 -4.500 1.00 0.00 C ATOM 995 O LEU A 71 8.988 0.551 -4.270 1.00 0.00 O ATOM 996 CB LEU A 71 5.986 -0.539 -3.213 1.00 0.00 C ATOM 997 CG LEU A 71 5.193 -1.086 -2.021 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.318 -0.150 -0.839 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.733 -1.270 -2.399 1.00 0.00 C ATOM 0 H LEU A 71 7.927 -0.052 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 71 7.410 -2.108 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.011 0.548 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.443 -0.783 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 71 5.603 -2.057 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.751 -0.548 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.367 -0.057 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.926 0.831 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.182 -1.659 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.311 -0.310 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.658 -1.973 -3.229 1.00 0.00 H new ATOM 1011 N ALA A 72 7.712 -0.626 -5.728 1.00 0.00 N ATOM 1012 CA ALA A 72 8.264 -0.016 -6.944 1.00 0.00 C ATOM 1013 C ALA A 72 7.497 1.253 -7.334 1.00 0.00 C ATOM 1014 O ALA A 72 6.408 1.505 -6.826 1.00 0.00 O ATOM 1015 CB ALA A 72 8.244 -1.028 -8.084 1.00 0.00 C ATOM 0 H ALA A 72 6.990 -1.324 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 72 9.295 0.276 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.655 -0.570 -8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.845 -1.895 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.218 -1.343 -8.273 1.00 0.00 H new ATOM 1021 N GLU A 73 8.091 2.063 -8.218 1.00 0.00 N ATOM 1022 CA GLU A 73 7.471 3.317 -8.693 1.00 0.00 C ATOM 1023 C GLU A 73 6.253 3.061 -9.585 1.00 0.00 C ATOM 1024 O GLU A 73 5.300 3.845 -9.585 1.00 0.00 O ATOM 1025 CB GLU A 73 8.498 4.153 -9.453 1.00 0.00 C ATOM 1026 CG GLU A 73 9.638 4.619 -8.572 1.00 0.00 C ATOM 1027 CD GLU A 73 10.763 5.265 -9.355 1.00 0.00 C ATOM 1028 OE1 GLU A 73 11.540 4.527 -9.997 1.00 0.00 O ATOM 1029 OE2 GLU A 73 10.867 6.510 -9.329 1.00 0.00 O ATOM 0 H GLU A 73 9.007 1.875 -8.625 1.00 0.00 H new ATOM 0 HA GLU A 73 7.127 3.860 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.899 3.566 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.003 5.021 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.257 5.331 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.031 3.768 -8.015 1.00 0.00 H new ATOM 1036 N GLU A 74 6.304 1.958 -10.340 1.00 0.00 N ATOM 1037 CA GLU A 74 5.222 1.576 -11.253 1.00 0.00 C ATOM 1038 C GLU A 74 4.090 0.824 -10.532 1.00 0.00 C ATOM 1039 O GLU A 74 3.145 0.353 -11.177 1.00 0.00 O ATOM 1040 CB GLU A 74 5.777 0.724 -12.405 1.00 0.00 C ATOM 1041 CG GLU A 74 6.686 1.487 -13.360 1.00 0.00 C ATOM 1042 CD GLU A 74 7.150 0.638 -14.527 1.00 0.00 C ATOM 1043 OE1 GLU A 74 8.038 -0.217 -14.324 1.00 0.00 O ATOM 1044 OE2 GLU A 74 6.625 0.827 -15.644 1.00 0.00 O ATOM 0 H GLU A 74 7.091 1.309 -10.336 1.00 0.00 H new ATOM 0 HA GLU A 74 4.795 2.495 -11.654 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.331 -0.117 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.943 0.307 -12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.156 2.361 -13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.555 1.853 -12.814 1.00 0.00 H new ATOM 1051 N VAL A 75 4.180 0.728 -9.192 1.00 0.00 N ATOM 1052 CA VAL A 75 3.149 0.037 -8.401 1.00 0.00 C ATOM 1053 C VAL A 75 1.994 0.998 -8.044 1.00 0.00 C ATOM 1054 O VAL A 75 2.228 2.148 -7.659 1.00 0.00 O ATOM 1055 CB VAL A 75 3.762 -0.645 -7.129 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.029 0.339 -5.997 1.00 0.00 C ATOM 1057 CG2 VAL A 75 2.881 -1.783 -6.628 1.00 0.00 C ATOM 0 H VAL A 75 4.947 1.115 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 75 2.731 -0.761 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 75 4.724 -1.050 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.453 -0.193 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.731 1.101 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.094 0.814 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.335 -2.234 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.896 -1.394 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.781 -2.536 -7.409 1.00 0.00 H new ATOM 1067 N ASP A 76 0.758 0.506 -8.190 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.445 1.299 -7.911 1.00 0.00 C ATOM 1069 C ASP A 76 -1.327 0.627 -6.851 1.00 0.00 C ATOM 1070 O ASP A 76 -1.044 -0.495 -6.419 1.00 0.00 O ATOM 1071 CB ASP A 76 -1.243 1.519 -9.211 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.504 2.371 -10.236 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.142 3.366 -9.840 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.574 2.038 -11.438 1.00 0.00 O ATOM 0 H ASP A 76 0.564 -0.445 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.130 2.264 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.476 0.551 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.193 1.996 -8.970 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.402 1.330 -6.439 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.353 0.831 -5.426 1.00 0.00 C ATOM 1081 C ASP A 77 -4.054 -0.456 -5.879 1.00 0.00 C ATOM 1082 O ASP A 77 -4.382 -1.317 -5.058 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.409 1.899 -5.119 1.00 0.00 C ATOM 1084 CG ASP A 77 -3.844 3.083 -4.357 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -3.393 4.048 -5.010 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -3.863 3.048 -3.110 1.00 0.00 O ATOM 0 H ASP A 77 -2.634 2.256 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.777 0.606 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.847 2.250 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.215 1.450 -4.538 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.272 -0.562 -7.197 1.00 0.00 N ATOM 1092 CA LYS A 78 -4.940 -1.721 -7.815 1.00 0.00 C ATOM 1093 C LYS A 78 -4.073 -2.973 -7.691 1.00 0.00 C ATOM 1094 O LYS A 78 -4.568 -4.072 -7.429 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.211 -1.430 -9.295 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.128 -0.242 -9.533 1.00 0.00 C ATOM 1097 CD LYS A 78 -6.312 0.023 -11.012 1.00 0.00 C ATOM 1098 CE LYS A 78 -7.084 1.308 -11.249 1.00 0.00 C ATOM 1099 NZ LYS A 78 -7.038 1.730 -12.676 1.00 0.00 N ATOM 0 H LYS A 78 -3.991 0.153 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.882 -1.896 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.262 -1.250 -9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.653 -2.315 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.097 -0.430 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.712 0.643 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.338 0.087 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.842 -0.812 -11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.122 1.169 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.672 2.100 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.577 2.611 -12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.050 1.888 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.455 0.986 -13.272 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.766 -2.763 -7.889 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.749 -3.802 -7.804 1.00 0.00 C ATOM 1115 C VAL A 79 -1.603 -4.315 -6.355 1.00 0.00 C ATOM 1116 O VAL A 79 -1.507 -5.525 -6.122 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.395 -3.233 -8.319 1.00 0.00 C ATOM 1118 CG1 VAL A 79 0.724 -4.238 -8.184 1.00 0.00 C ATOM 1119 CG2 VAL A 79 -0.503 -2.771 -9.769 1.00 0.00 C ATOM 0 H VAL A 79 -2.385 -1.845 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.050 -4.646 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.159 -2.373 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.652 -3.802 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.844 -4.510 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.485 -5.129 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.459 -2.379 -10.099 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.787 -3.614 -10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.259 -1.990 -9.847 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.601 -3.372 -5.397 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.465 -3.688 -3.967 1.00 0.00 C ATOM 1131 C LEU A 80 -2.700 -4.422 -3.425 1.00 0.00 C ATOM 1132 O LEU A 80 -2.579 -5.311 -2.578 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.231 -2.398 -3.167 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.337 -2.536 -1.925 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.353 -1.216 -1.624 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.138 -2.997 -0.715 1.00 0.00 C ATOM 0 H LEU A 80 -1.693 -2.375 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.608 -4.352 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.787 -1.656 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.199 -2.006 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 80 0.418 -3.293 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.983 -1.328 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.969 -0.925 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.397 -0.447 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.477 -3.085 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.921 -2.271 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.590 -3.966 -0.926 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.884 -4.035 -3.929 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.160 -4.639 -3.522 1.00 0.00 C ATOM 1150 C HIS A 81 -5.279 -6.097 -4.010 1.00 0.00 C ATOM 1151 O HIS A 81 -5.602 -6.997 -3.228 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.323 -3.796 -4.073 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.606 -3.936 -3.310 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -8.610 -4.839 -3.420 1.00 0.00 N flip ATOM 1155 CD2 HIS A 81 -7.981 -3.072 -2.303 1.00 0.00 C flip ATOM 1156 CE1 HIS A 81 -9.560 -4.506 -2.488 1.00 0.00 C flip ATOM 1157 NE2 HIS A 81 -9.158 -3.436 -1.827 1.00 0.00 N flip ATOM 0 H HIS A 81 -3.981 -3.298 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.200 -4.655 -2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -6.027 -2.747 -4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.499 -4.077 -5.111 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.402 -2.228 -1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.487 -5.034 -2.322 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.669 -2.970 -1.077 1.00 0.00 H new ATOM 1166 N ALA A 82 -5.003 -6.305 -5.307 1.00 0.00 N ATOM 1167 CA ALA A 82 -5.075 -7.630 -5.944 1.00 0.00 C ATOM 1168 C ALA A 82 -3.952 -8.582 -5.500 1.00 0.00 C ATOM 1169 O ALA A 82 -4.087 -9.802 -5.636 1.00 0.00 O ATOM 1170 CB ALA A 82 -5.057 -7.477 -7.457 1.00 0.00 C ATOM 0 H ALA A 82 -4.723 -5.559 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.012 -8.082 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.110 -8.461 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.912 -6.879 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.135 -6.981 -7.762 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.848 -8.022 -4.977 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.697 -8.821 -4.541 1.00 0.00 C ATOM 1178 C ALA A 83 -1.889 -9.334 -3.120 1.00 0.00 C ATOM 1179 O ALA A 83 -1.453 -10.438 -2.779 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.419 -8.000 -4.637 1.00 0.00 C ATOM 0 H ALA A 83 -2.731 -7.017 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.615 -9.684 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.427 -8.605 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.264 -7.687 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.503 -7.120 -4.000 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.549 -8.511 -2.307 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.822 -8.832 -0.914 1.00 0.00 C ATOM 1188 C PHE A 84 -4.240 -9.385 -0.716 1.00 0.00 C ATOM 1189 O PHE A 84 -4.612 -9.761 0.402 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.627 -7.582 -0.063 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.186 -7.219 0.175 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.513 -6.377 -0.696 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.507 -7.721 1.275 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.809 -6.042 -0.476 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.816 -7.390 1.499 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.475 -6.550 0.623 1.00 0.00 C ATOM 0 H PHE A 84 -2.909 -7.602 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.125 -9.611 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.126 -6.743 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.117 -7.731 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.028 -5.978 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.017 -8.378 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.321 -5.384 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.334 -7.788 2.359 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.509 -6.291 0.797 1.00 0.00 H new ATOM 1206 N ILE A 85 -5.024 -9.445 -1.808 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.407 -9.945 -1.765 1.00 0.00 C ATOM 1208 C ILE A 85 -6.514 -11.474 -1.444 1.00 0.00 C ATOM 1209 O ILE A 85 -7.496 -11.869 -0.810 1.00 0.00 O ATOM 1210 CB ILE A 85 -7.203 -9.553 -3.065 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.722 -9.676 -2.848 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.782 -10.362 -4.292 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.365 -8.438 -2.251 1.00 0.00 C ATOM 0 H ILE A 85 -4.719 -9.151 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.881 -9.443 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.953 -8.511 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.198 -9.895 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.917 -10.525 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.367 -10.045 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.723 -10.197 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.955 -11.422 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.435 -8.606 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.918 -8.229 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.204 -7.588 -2.915 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.537 -12.366 -1.858 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.621 -13.817 -1.550 1.00 0.00 C ATOM 1227 C PRO A 86 -5.667 -14.130 -0.046 1.00 0.00 C ATOM 1228 O PRO A 86 -6.157 -15.190 0.352 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.341 -14.401 -2.162 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.931 -13.418 -3.199 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.314 -12.075 -2.654 1.00 0.00 C ATOM 0 HA PRO A 86 -6.544 -14.238 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.564 -14.527 -1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.524 -15.383 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.859 -13.473 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.433 -13.615 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.523 -11.651 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.514 -11.359 -3.451 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.152 -13.201 0.779 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.126 -13.375 2.243 1.00 0.00 C ATOM 1241 C PHE A 87 -6.478 -13.044 2.883 1.00 0.00 C ATOM 1242 O PHE A 87 -6.847 -13.638 3.901 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.043 -12.494 2.888 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.680 -12.635 2.270 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.792 -13.589 2.734 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.295 -11.820 1.215 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.544 -13.729 2.162 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -1.047 -11.958 0.638 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.171 -12.913 1.113 1.00 0.00 C ATOM 0 H PHE A 87 -4.748 -12.322 0.457 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.899 -14.426 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.353 -11.451 2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.975 -12.740 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.079 -14.232 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.977 -11.071 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.140 -14.477 2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.757 -11.319 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.805 -13.022 0.664 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.205 -12.097 2.276 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.502 -11.687 2.794 1.00 0.00 C ATOM 1261 C GLY A 88 -9.078 -10.495 2.055 1.00 0.00 C ATOM 1262 O GLY A 88 -8.578 -10.114 0.992 1.00 0.00 O ATOM 0 H GLY A 88 -6.913 -11.607 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.197 -12.523 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.405 -11.441 3.851 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.138 -9.910 2.626 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.807 -8.744 2.040 1.00 0.00 C ATOM 1268 C ASP A 89 -10.110 -7.445 2.448 1.00 0.00 C ATOM 1269 O ASP A 89 -9.798 -7.244 3.625 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.282 -8.698 2.467 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.106 -9.850 1.908 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -12.917 -10.208 0.723 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -13.942 -10.396 2.659 1.00 0.00 O ATOM 0 H ASP A 89 -10.553 -10.229 3.501 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.752 -8.841 0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.339 -8.714 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.719 -7.755 2.139 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.874 -6.576 1.461 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.216 -5.286 1.692 1.00 0.00 C ATOM 1280 C ILE A 90 -10.200 -4.150 1.413 1.00 0.00 C ATOM 1281 O ILE A 90 -10.966 -4.206 0.447 1.00 0.00 O ATOM 1282 CB ILE A 90 -7.936 -5.118 0.813 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -6.980 -6.301 1.018 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.207 -3.808 1.128 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.343 -6.797 -0.262 1.00 0.00 C ATOM 0 H ILE A 90 -10.131 -6.744 0.488 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.901 -5.253 2.735 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.258 -5.091 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.195 -6.006 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.526 -7.122 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.321 -3.724 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.872 -2.966 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.909 -3.801 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.681 -7.633 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.121 -7.124 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.768 -5.991 -0.718 1.00 0.00 H new ATOM 1297 N THR A 91 -10.168 -3.127 2.273 1.00 0.00 N ATOM 1298 CA THR A 91 -11.058 -1.973 2.141 1.00 0.00 C ATOM 1299 C THR A 91 -10.441 -0.870 1.275 1.00 0.00 C ATOM 1300 O THR A 91 -11.008 -0.511 0.239 1.00 0.00 O ATOM 1301 CB THR A 91 -11.451 -1.393 3.521 1.00 0.00 C ATOM 1302 OG1 THR A 91 -10.299 -1.303 4.366 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.514 -2.255 4.192 1.00 0.00 C ATOM 0 H THR A 91 -9.533 -3.076 3.070 1.00 0.00 H new ATOM 0 HA THR A 91 -11.958 -2.337 1.646 1.00 0.00 H new ATOM 0 HB THR A 91 -11.862 -0.396 3.363 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.109 -0.362 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.773 -1.826 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.403 -2.292 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.128 -3.264 4.334 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.278 -0.333 1.700 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.598 0.742 0.958 1.00 0.00 C ATOM 1313 C ASP A 92 -7.073 0.685 1.116 1.00 0.00 C ATOM 1314 O ASP A 92 -6.552 0.080 2.064 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.102 2.125 1.421 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.537 2.417 1.007 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.906 2.109 -0.148 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.295 2.955 1.842 1.00 0.00 O ATOM 0 H ASP A 92 -8.795 -0.626 2.549 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.837 0.592 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.026 2.186 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.450 2.896 1.012 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.380 1.323 0.160 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.915 1.417 0.150 1.00 0.00 C ATOM 1325 C ILE A 93 -4.527 2.900 0.248 1.00 0.00 C ATOM 1326 O ILE A 93 -5.004 3.715 -0.548 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.294 0.785 -1.150 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.813 -0.659 -1.430 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.760 0.790 -1.104 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.814 -1.613 -0.240 1.00 0.00 C ATOM 0 H ILE A 93 -6.824 1.790 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.522 0.856 0.998 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.625 1.418 -1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.830 -0.589 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.202 -1.096 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.367 0.346 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.402 1.816 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.420 0.212 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.194 -2.585 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.797 -1.726 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.451 -1.211 0.548 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.668 3.240 1.218 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.246 4.633 1.415 1.00 0.00 C ATOM 1344 C GLN A 94 -1.732 4.804 1.291 1.00 0.00 C ATOM 1345 O GLN A 94 -0.960 4.106 1.954 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.715 5.149 2.786 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.232 5.287 2.928 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.804 6.477 2.172 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -5.418 7.623 2.405 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -6.732 6.207 1.260 1.00 0.00 N ATOM 0 H GLN A 94 -3.255 2.576 1.873 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.712 5.220 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.351 4.472 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.256 6.120 2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.708 4.375 2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.483 5.382 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.023 5.243 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.153 6.964 0.721 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.330 5.744 0.426 1.00 0.00 N ATOM 1360 CA ILE A 95 0.086 6.063 0.197 1.00 0.00 C ATOM 1361 C ILE A 95 0.308 7.584 0.348 1.00 0.00 C ATOM 1362 O ILE A 95 -0.251 8.354 -0.439 1.00 0.00 O ATOM 1363 CB ILE A 95 0.587 5.612 -1.215 1.00 0.00 C ATOM 1364 CG1 ILE A 95 -0.061 4.294 -1.652 1.00 0.00 C ATOM 1365 CG2 ILE A 95 2.108 5.463 -1.233 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.239 4.484 -2.577 1.00 0.00 C ATOM 0 H ILE A 95 -1.974 6.303 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 95 0.660 5.512 0.942 1.00 0.00 H new ATOM 0 HB ILE A 95 0.294 6.391 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.687 3.677 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.387 3.747 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.431 5.149 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.570 6.419 -0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.409 4.715 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.650 3.511 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.005 5.075 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.914 5.004 -3.478 1.00 0.00 H new ATOM 1378 N PRO A 96 1.113 8.057 1.359 1.00 0.00 N ATOM 1379 CA PRO A 96 1.379 9.505 1.549 1.00 0.00 C ATOM 1380 C PRO A 96 2.016 10.155 0.314 1.00 0.00 C ATOM 1381 O PRO A 96 3.033 9.673 -0.199 1.00 0.00 O ATOM 1382 CB PRO A 96 2.354 9.547 2.732 1.00 0.00 C ATOM 1383 CG PRO A 96 2.132 8.266 3.457 1.00 0.00 C ATOM 1384 CD PRO A 96 1.798 7.250 2.400 1.00 0.00 C ATOM 0 HA PRO A 96 0.457 10.060 1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.386 9.634 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.158 10.404 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.022 7.973 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.321 8.361 4.179 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.693 6.766 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.153 6.462 2.788 1.00 0.00 H new ATOM 1392 N LEU A 97 1.399 11.244 -0.158 1.00 0.00 N ATOM 1393 CA LEU A 97 1.879 11.962 -1.339 1.00 0.00 C ATOM 1394 C LEU A 97 2.054 13.452 -1.046 1.00 0.00 C ATOM 1395 O LEU A 97 1.185 14.076 -0.430 1.00 0.00 O ATOM 1396 CB LEU A 97 0.895 11.766 -2.500 1.00 0.00 C ATOM 1397 CG LEU A 97 1.490 11.912 -3.902 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.829 10.546 -4.481 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.527 12.658 -4.813 1.00 0.00 C ATOM 0 H LEU A 97 0.562 11.647 0.264 1.00 0.00 H new ATOM 0 HA LEU A 97 2.852 11.556 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.452 10.774 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.085 12.487 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 97 2.411 12.491 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.251 10.668 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.555 10.048 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.924 9.942 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.966 12.753 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.410 12.106 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.335 13.650 -4.405 1.00 0.00 H new ATOM 1411 N ASP A 98 3.188 14.011 -1.495 1.00 0.00 N ATOM 1412 CA ASP A 98 3.489 15.435 -1.305 1.00 0.00 C ATOM 1413 C ASP A 98 2.987 16.251 -2.494 1.00 0.00 C ATOM 1414 O ASP A 98 3.023 15.782 -3.630 1.00 0.00 O ATOM 1415 CB ASP A 98 5.000 15.663 -1.126 1.00 0.00 C ATOM 1416 CG ASP A 98 5.573 14.967 0.102 1.00 0.00 C ATOM 1417 OD1 ASP A 98 4.946 15.038 1.182 1.00 0.00 O ATOM 1418 OD2 ASP A 98 6.652 14.350 -0.020 1.00 0.00 O ATOM 0 H ASP A 98 3.913 13.495 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 98 2.977 15.763 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.522 15.306 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.193 16.733 -1.051 1.00 0.00 H new ATOM 1423 N TYR A 99 2.506 17.469 -2.218 1.00 0.00 N ATOM 1424 CA TYR A 99 1.988 18.377 -3.259 1.00 0.00 C ATOM 1425 C TYR A 99 3.069 18.826 -4.253 1.00 0.00 C ATOM 1426 O TYR A 99 2.794 19.004 -5.443 1.00 0.00 O ATOM 1427 CB TYR A 99 1.355 19.613 -2.611 1.00 0.00 C ATOM 1428 CG TYR A 99 0.089 19.325 -1.833 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.115 19.129 -2.493 1.00 0.00 C ATOM 1430 CD2 TYR A 99 0.097 19.258 -0.446 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.279 18.871 -1.796 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.063 18.998 0.260 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.247 18.806 -0.418 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.403 18.548 0.282 1.00 0.00 O ATOM 0 H TYR A 99 2.463 17.855 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 99 1.241 17.814 -3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.083 20.072 -1.942 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.132 20.343 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.143 19.179 -3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.023 19.411 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.208 18.721 -2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.041 18.946 1.339 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.208 18.535 1.242 1.00 0.00 H new ATOM 1444 N GLU A 100 4.291 18.999 -3.740 1.00 0.00 N ATOM 1445 CA GLU A 100 5.441 19.461 -4.535 1.00 0.00 C ATOM 1446 C GLU A 100 5.958 18.403 -5.534 1.00 0.00 C ATOM 1447 O GLU A 100 6.161 18.716 -6.711 1.00 0.00 O ATOM 1448 CB GLU A 100 6.569 19.889 -3.576 1.00 0.00 C ATOM 1449 CG GLU A 100 7.678 20.718 -4.224 1.00 0.00 C ATOM 1450 CD GLU A 100 8.831 20.997 -3.277 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.506 20.032 -2.856 1.00 0.00 O ATOM 1452 OE2 GLU A 100 9.062 22.182 -2.957 1.00 0.00 O ATOM 0 H GLU A 100 4.515 18.823 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 100 5.107 20.305 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.134 20.465 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.012 18.996 -3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.053 20.192 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.263 21.664 -4.573 1.00 0.00 H new ATOM 1459 N THR A 101 6.164 17.167 -5.062 1.00 0.00 N ATOM 1460 CA THR A 101 6.691 16.087 -5.914 1.00 0.00 C ATOM 1461 C THR A 101 5.605 15.162 -6.452 1.00 0.00 C ATOM 1462 O THR A 101 5.764 14.591 -7.533 1.00 0.00 O ATOM 1463 CB THR A 101 7.733 15.237 -5.154 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.210 14.834 -3.882 1.00 0.00 O ATOM 1465 CG2 THR A 101 9.033 16.006 -4.955 1.00 0.00 C ATOM 0 H THR A 101 5.975 16.888 -4.099 1.00 0.00 H new ATOM 0 HA THR A 101 7.158 16.588 -6.762 1.00 0.00 H new ATOM 0 HB THR A 101 7.946 14.353 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.878 14.294 -3.410 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.746 15.382 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.448 16.277 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.836 16.910 -4.379 1.00 0.00 H new ATOM 1473 N GLU A 102 4.485 15.032 -5.715 1.00 0.00 N ATOM 1474 CA GLU A 102 3.354 14.148 -6.099 1.00 0.00 C ATOM 1475 C GLU A 102 3.811 12.682 -6.280 1.00 0.00 C ATOM 1476 O GLU A 102 3.153 11.886 -6.963 1.00 0.00 O ATOM 1477 CB GLU A 102 2.650 14.659 -7.377 1.00 0.00 C ATOM 1478 CG GLU A 102 1.908 15.975 -7.189 1.00 0.00 C ATOM 1479 CD GLU A 102 1.165 16.409 -8.439 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.826 16.886 -9.385 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.076 16.269 -8.471 1.00 0.00 O ATOM 0 H GLU A 102 4.334 15.532 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 102 2.635 14.175 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.393 14.782 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.945 13.901 -7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.200 15.874 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.619 16.751 -6.905 1.00 0.00 H new ATOM 1488 N LYS A 103 4.938 12.340 -5.637 1.00 0.00 N ATOM 1489 CA LYS A 103 5.516 10.994 -5.715 1.00 0.00 C ATOM 1490 C LYS A 103 5.621 10.380 -4.318 1.00 0.00 C ATOM 1491 O LYS A 103 5.689 11.108 -3.322 1.00 0.00 O ATOM 1492 CB LYS A 103 6.919 11.025 -6.357 1.00 0.00 C ATOM 1493 CG LYS A 103 7.040 11.885 -7.615 1.00 0.00 C ATOM 1494 CD LYS A 103 8.130 11.368 -8.540 1.00 0.00 C ATOM 1495 CE LYS A 103 8.301 12.262 -9.757 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.143 11.622 -10.804 1.00 0.00 N ATOM 0 H LYS A 103 5.470 12.985 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 103 4.857 10.388 -6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.632 11.389 -5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.210 10.004 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.087 11.894 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.259 12.915 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.072 11.309 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.885 10.356 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.322 12.499 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.755 13.205 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.235 12.265 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.086 11.419 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.698 10.734 -11.113 1.00 0.00 H new ATOM 1510 N HIS A 104 5.636 9.043 -4.252 1.00 0.00 N ATOM 1511 CA HIS A 104 5.747 8.336 -2.973 1.00 0.00 C ATOM 1512 C HIS A 104 7.180 7.837 -2.750 1.00 0.00 C ATOM 1513 O HIS A 104 7.959 7.725 -3.701 1.00 0.00 O ATOM 1514 CB HIS A 104 4.728 7.176 -2.892 1.00 0.00 C ATOM 1515 CG HIS A 104 4.921 6.072 -3.899 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.321 4.798 -3.550 1.00 0.00 N ATOM 1517 CD2 HIS A 104 4.745 6.054 -5.243 1.00 0.00 C ATOM 1518 CE1 HIS A 104 5.380 4.043 -4.635 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.035 4.782 -5.674 1.00 0.00 N ATOM 0 H HIS A 104 5.573 8.432 -5.067 1.00 0.00 H new ATOM 0 HA HIS A 104 5.511 9.039 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.774 6.744 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.726 7.586 -3.016 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.435 6.884 -5.860 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.662 3.001 -4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.991 4.460 -6.641 1.00 0.00 H new ATOM 1528 N ARG A 105 7.510 7.539 -1.488 1.00 0.00 N ATOM 1529 CA ARG A 105 8.849 7.059 -1.120 1.00 0.00 C ATOM 1530 C ARG A 105 8.964 5.527 -1.215 1.00 0.00 C ATOM 1531 O ARG A 105 10.017 4.960 -0.899 1.00 0.00 O ATOM 1532 CB ARG A 105 9.220 7.535 0.292 1.00 0.00 C ATOM 1533 CG ARG A 105 9.440 9.038 0.400 1.00 0.00 C ATOM 1534 CD ARG A 105 9.923 9.431 1.788 1.00 0.00 C ATOM 1535 NE ARG A 105 10.010 10.886 1.948 1.00 0.00 N ATOM 1536 CZ ARG A 105 9.693 11.551 3.068 1.00 0.00 C ATOM 1537 NH1 ARG A 105 9.255 10.910 4.151 1.00 0.00 N ATOM 1538 NH2 ARG A 105 9.815 12.871 3.102 1.00 0.00 N ATOM 0 H ARG A 105 6.866 7.622 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 105 9.552 7.483 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 105 8.429 7.243 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 105 10.127 7.021 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.171 9.354 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.510 9.560 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.244 9.024 2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 105 10.902 8.987 1.970 1.00 0.00 H new ATOM 0 HE ARG A 105 10.335 11.431 1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.156 9.895 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.019 11.434 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.148 13.374 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.576 13.384 3.951 1.00 0.00 H new ATOM 1552 N GLY A 106 7.885 4.868 -1.665 1.00 0.00 N ATOM 1553 CA GLY A 106 7.897 3.418 -1.808 1.00 0.00 C ATOM 1554 C GLY A 106 7.299 2.667 -0.628 1.00 0.00 C ATOM 1555 O GLY A 106 7.702 1.532 -0.363 1.00 0.00 O ATOM 0 H GLY A 106 7.008 5.316 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.348 3.149 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.926 3.087 -1.950 1.00 0.00 H new ATOM 1559 N PHE A 107 6.368 3.304 0.102 1.00 0.00 N ATOM 1560 CA PHE A 107 5.690 2.651 1.230 1.00 0.00 C ATOM 1561 C PHE A 107 4.225 3.082 1.317 1.00 0.00 C ATOM 1562 O PHE A 107 3.874 4.207 0.951 1.00 0.00 O ATOM 1563 CB PHE A 107 6.418 2.873 2.580 1.00 0.00 C ATOM 1564 CG PHE A 107 6.663 4.310 2.982 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.651 5.073 3.547 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.915 4.881 2.822 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.884 6.378 3.937 1.00 0.00 C ATOM 1568 CE2 PHE A 107 8.151 6.186 3.209 1.00 0.00 C ATOM 1569 CZ PHE A 107 7.135 6.936 3.768 1.00 0.00 C ATOM 0 H PHE A 107 6.070 4.265 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 107 5.723 1.580 1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.835 2.393 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.379 2.361 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.670 4.642 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.716 4.299 2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.087 6.961 4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 107 9.131 6.620 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 107 7.319 7.956 4.072 1.00 0.00 H new ATOM 1579 N ALA A 108 3.384 2.160 1.810 1.00 0.00 N ATOM 1580 CA ALA A 108 1.939 2.384 1.953 1.00 0.00 C ATOM 1581 C ALA A 108 1.364 1.535 3.091 1.00 0.00 C ATOM 1582 O ALA A 108 2.059 0.675 3.640 1.00 0.00 O ATOM 1583 CB ALA A 108 1.225 2.045 0.644 1.00 0.00 C ATOM 0 H ALA A 108 3.688 1.237 2.121 1.00 0.00 H new ATOM 0 HA ALA A 108 1.779 3.436 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.154 2.214 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.609 2.680 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.402 0.999 0.393 1.00 0.00 H new ATOM 1589 N PHE A 109 0.107 1.809 3.463 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.582 1.039 4.503 1.00 0.00 C ATOM 1591 C PHE A 109 -1.792 0.347 3.887 1.00 0.00 C ATOM 1592 O PHE A 109 -2.446 0.908 3.003 1.00 0.00 O ATOM 1593 CB PHE A 109 -1.026 1.928 5.674 1.00 0.00 C ATOM 1594 CG PHE A 109 0.101 2.661 6.353 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.486 3.920 5.920 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.774 2.088 7.420 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.520 4.595 6.541 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.809 2.757 8.044 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.183 4.014 7.604 1.00 0.00 C ATOM 0 H PHE A 109 -0.453 2.559 3.058 1.00 0.00 H new ATOM 0 HA PHE A 109 0.114 0.301 4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.750 2.656 5.309 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.539 1.310 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.028 4.379 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.486 1.107 7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.809 5.576 6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.326 2.299 8.875 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.991 4.540 8.091 1.00 0.00 H new ATOM 1609 N VAL A 110 -2.086 -0.866 4.354 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.214 -1.638 3.832 1.00 0.00 C ATOM 1611 C VAL A 110 -4.215 -1.974 4.948 1.00 0.00 C ATOM 1612 O VAL A 110 -3.822 -2.397 6.040 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.713 -2.925 3.082 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.933 -3.877 3.995 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.864 -3.665 2.399 1.00 0.00 C ATOM 0 H VAL A 110 -1.560 -1.335 5.091 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.742 -1.024 3.102 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.024 -2.574 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.612 -4.748 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.059 -3.363 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.573 -4.198 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.478 -4.549 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.597 -3.967 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.339 -3.007 1.671 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.504 -1.777 4.646 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.577 -2.049 5.602 1.00 0.00 C ATOM 1627 C GLU A 111 -7.345 -3.314 5.229 1.00 0.00 C ATOM 1628 O GLU A 111 -7.798 -3.463 4.091 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.541 -0.859 5.667 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.506 -0.098 6.987 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.357 -0.748 8.063 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -7.827 -1.601 8.806 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -9.554 -0.405 8.163 1.00 0.00 O ATOM 0 H GLU A 111 -5.827 -1.429 3.743 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.121 -2.202 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.304 -0.169 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.556 -1.218 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.475 -0.032 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.853 0.922 6.822 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.486 -4.216 6.204 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.210 -5.472 6.011 1.00 0.00 C ATOM 1642 C PHE A 112 -9.528 -5.457 6.773 1.00 0.00 C ATOM 1643 O PHE A 112 -9.582 -5.009 7.921 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.359 -6.662 6.465 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.484 -7.233 5.382 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.196 -6.760 5.182 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.955 -8.248 4.565 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.397 -7.291 4.186 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -6.162 -8.781 3.569 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.881 -8.302 3.380 1.00 0.00 C ATOM 0 H PHE A 112 -7.104 -4.096 7.142 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.422 -5.577 4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -6.731 -6.350 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.018 -7.446 6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.813 -5.969 5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.956 -8.627 4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.395 -6.915 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.543 -9.571 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.258 -8.718 2.602 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.593 -5.948 6.123 1.00 0.00 N ATOM 1661 CA GLU A 113 -11.935 -6.007 6.728 1.00 0.00 C ATOM 1662 C GLU A 113 -11.957 -6.971 7.933 1.00 0.00 C ATOM 1663 O GLU A 113 -12.654 -6.721 8.921 1.00 0.00 O ATOM 1664 CB GLU A 113 -12.966 -6.426 5.666 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.420 -6.217 6.073 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.401 -6.770 5.056 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.427 -8.004 4.861 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.145 -5.967 4.454 1.00 0.00 O ATOM 0 H GLU A 113 -10.552 -6.313 5.171 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.197 -5.016 7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.774 -5.864 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.817 -7.480 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.595 -6.695 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.605 -5.151 6.207 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.189 -8.063 7.828 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.092 -9.058 8.896 1.00 0.00 C ATOM 1677 C LEU A 114 -9.743 -8.978 9.595 1.00 0.00 C ATOM 1678 O LEU A 114 -8.700 -8.891 8.939 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.302 -10.476 8.342 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.760 -10.884 8.098 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.259 -10.360 6.759 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -12.905 -12.397 8.165 1.00 0.00 C ATOM 0 H LEU A 114 -10.623 -8.278 7.007 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.877 -8.840 9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.757 -10.564 7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.856 -11.188 9.037 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.372 -10.439 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.295 -10.664 6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.195 -9.272 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.644 -10.768 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.945 -12.671 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.275 -12.857 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.598 -12.749 9.150 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.779 -9.007 10.932 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.565 -8.961 11.762 1.00 0.00 C ATOM 1696 C ALA A 115 -7.744 -10.251 11.624 1.00 0.00 C ATOM 1697 O ALA A 115 -6.523 -10.246 11.810 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.934 -8.727 13.218 1.00 0.00 C ATOM 0 H ALA A 115 -10.644 -9.063 11.469 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.950 -8.133 11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.028 -8.695 13.822 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.466 -7.780 13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.574 -9.538 13.566 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.442 -11.350 11.287 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.826 -12.675 11.104 1.00 0.00 C ATOM 1706 C GLU A 116 -6.882 -12.704 9.897 1.00 0.00 C ATOM 1707 O GLU A 116 -5.774 -13.243 9.977 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.923 -13.733 10.922 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.722 -14.050 12.185 1.00 0.00 C ATOM 1710 CD GLU A 116 -8.907 -14.743 13.273 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -8.274 -15.782 12.980 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -8.906 -14.243 14.418 1.00 0.00 O ATOM 0 H GLU A 116 -9.450 -11.344 11.134 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.237 -12.893 11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.612 -13.393 10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.465 -14.653 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.132 -13.123 12.586 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.568 -14.684 11.919 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.339 -12.109 8.783 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.552 -12.032 7.540 1.00 0.00 C ATOM 1721 C ASP A 117 -5.342 -11.108 7.706 1.00 0.00 C ATOM 1722 O ASP A 117 -4.288 -11.338 7.105 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.419 -11.550 6.369 1.00 0.00 C ATOM 1724 CG ASP A 117 -8.584 -12.482 6.058 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -8.386 -13.716 6.063 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -9.697 -11.971 5.810 1.00 0.00 O ATOM 0 H ASP A 117 -8.258 -11.671 8.718 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.193 -13.037 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.808 -10.558 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.795 -11.451 5.481 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.513 -10.059 8.532 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.454 -9.080 8.816 1.00 0.00 C ATOM 1733 C ALA A 118 -3.235 -9.750 9.457 1.00 0.00 C ATOM 1734 O ALA A 118 -2.093 -9.503 9.051 1.00 0.00 O ATOM 1735 CB ALA A 118 -4.997 -7.993 9.728 1.00 0.00 C ATOM 0 H ALA A 118 -6.389 -9.869 9.019 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.132 -8.637 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.211 -7.268 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.832 -7.492 9.239 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.338 -8.439 10.662 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.498 -10.610 10.457 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.447 -11.364 11.147 1.00 0.00 C ATOM 1743 C ALA A 119 -1.846 -12.414 10.212 1.00 0.00 C ATOM 1744 O ALA A 119 -0.675 -12.783 10.338 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.001 -12.021 12.402 1.00 0.00 C ATOM 0 H ALA A 119 -4.438 -10.798 10.804 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.659 -10.671 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.208 -12.577 12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.386 -11.254 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.806 -12.703 12.130 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.681 -12.882 9.267 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.281 -13.881 8.268 1.00 0.00 C ATOM 1753 C ALA A 120 -1.308 -13.291 7.242 1.00 0.00 C ATOM 1754 O ALA A 120 -0.332 -13.941 6.857 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.511 -14.437 7.561 1.00 0.00 C ATOM 0 H ALA A 120 -3.650 -12.577 9.177 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.768 -14.689 8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.203 -15.177 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.170 -14.906 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.042 -13.626 7.062 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.582 -12.044 6.817 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.744 -11.338 5.838 1.00 0.00 C ATOM 1763 C ALA A 121 0.652 -11.022 6.390 1.00 0.00 C ATOM 1764 O ALA A 121 1.643 -11.123 5.662 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.435 -10.061 5.382 1.00 0.00 C ATOM 0 H ALA A 121 -2.384 -11.504 7.141 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.610 -12.002 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.805 -9.546 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.391 -10.309 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.604 -9.412 6.241 1.00 0.00 H new ATOM 1771 N ILE A 122 0.719 -10.640 7.680 1.00 0.00 N ATOM 1772 CA ILE A 122 1.999 -10.318 8.340 1.00 0.00 C ATOM 1773 C ILE A 122 2.859 -11.577 8.571 1.00 0.00 C ATOM 1774 O ILE A 122 4.089 -11.510 8.507 1.00 0.00 O ATOM 1775 CB ILE A 122 1.788 -9.531 9.677 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.175 -8.148 9.384 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.108 -9.355 10.447 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.220 -7.647 10.446 1.00 0.00 C ATOM 0 H ILE A 122 -0.097 -10.547 8.285 1.00 0.00 H new ATOM 0 HA ILE A 122 2.544 -9.666 7.658 1.00 0.00 H new ATOM 0 HB ILE A 122 1.108 -10.113 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.982 -7.424 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.648 -8.193 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.921 -8.804 11.369 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.523 -10.334 10.687 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.817 -8.802 9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.163 -6.668 10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.610 -8.346 10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 122 0.745 -7.566 11.398 1.00 0.00 H new ATOM 1790 N ASP A 123 2.200 -12.710 8.833 1.00 0.00 N ATOM 1791 CA ASP A 123 2.895 -13.978 9.079 1.00 0.00 C ATOM 1792 C ASP A 123 3.302 -14.694 7.780 1.00 0.00 C ATOM 1793 O ASP A 123 4.156 -15.586 7.814 1.00 0.00 O ATOM 1794 CB ASP A 123 2.010 -14.902 9.922 1.00 0.00 C ATOM 1795 CG ASP A 123 2.811 -15.756 10.888 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.037 -15.307 12.031 1.00 0.00 O ATOM 1797 OD2 ASP A 123 3.212 -16.873 10.499 1.00 0.00 O ATOM 0 H ASP A 123 1.183 -12.775 8.880 1.00 0.00 H new ATOM 0 HA ASP A 123 3.812 -13.740 9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.294 -14.301 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.435 -15.550 9.261 1.00 0.00 H new ATOM 1802 N ASN A 124 2.695 -14.306 6.648 1.00 0.00 N ATOM 1803 CA ASN A 124 2.988 -14.949 5.363 1.00 0.00 C ATOM 1804 C ASN A 124 3.940 -14.147 4.464 1.00 0.00 C ATOM 1805 O ASN A 124 4.845 -14.736 3.865 1.00 0.00 O ATOM 1806 CB ASN A 124 1.689 -15.236 4.608 1.00 0.00 C ATOM 1807 CG ASN A 124 0.947 -16.445 5.153 1.00 0.00 C ATOM 1808 OD1 ASN A 124 1.527 -17.517 5.338 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.345 -16.280 5.409 1.00 0.00 N ATOM 0 H ASN A 124 2.005 -13.557 6.598 1.00 0.00 H new ATOM 0 HA ASN A 124 3.503 -15.878 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 124 1.041 -14.362 4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.915 -15.398 3.554 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -0.896 -17.057 5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -0.787 -15.376 5.242 1.00 0.00 H new ATOM 1816 N MET A 125 3.751 -12.819 4.364 1.00 0.00 N ATOM 1817 CA MET A 125 4.597 -12.000 3.488 1.00 0.00 C ATOM 1818 C MET A 125 5.242 -10.817 4.222 1.00 0.00 C ATOM 1819 O MET A 125 5.231 -9.683 3.727 1.00 0.00 O ATOM 1820 CB MET A 125 3.783 -11.514 2.277 1.00 0.00 C ATOM 1821 CG MET A 125 3.462 -12.612 1.270 1.00 0.00 C ATOM 1822 SD MET A 125 2.651 -11.990 -0.220 1.00 0.00 S ATOM 1823 CE MET A 125 4.044 -11.333 -1.138 1.00 0.00 C ATOM 0 H MET A 125 3.033 -12.301 4.870 1.00 0.00 H new ATOM 0 HA MET A 125 5.416 -12.632 3.144 1.00 0.00 H new ATOM 0 HB2 MET A 125 2.850 -11.075 2.631 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.337 -10.722 1.773 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.384 -13.121 0.989 1.00 0.00 H new ATOM 0 HG3 MET A 125 2.820 -13.355 1.743 1.00 0.00 H new ATOM 0 HE1 MET A 125 3.722 -11.062 -2.143 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.430 -10.449 -0.630 1.00 0.00 H new ATOM 0 HE3 MET A 125 4.828 -12.088 -1.200 1.00 0.00 H new ATOM 1833 N ASN A 126 5.826 -11.088 5.398 1.00 0.00 N ATOM 1834 CA ASN A 126 6.509 -10.049 6.195 1.00 0.00 C ATOM 1835 C ASN A 126 7.767 -9.526 5.474 1.00 0.00 C ATOM 1836 O ASN A 126 8.114 -8.348 5.587 1.00 0.00 O ATOM 1837 CB ASN A 126 6.864 -10.582 7.601 1.00 0.00 C ATOM 1838 CG ASN A 126 7.740 -11.835 7.594 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.541 -12.749 6.792 1.00 0.00 O ATOM 1840 ND2 ASN A 126 8.714 -11.876 8.496 1.00 0.00 N ATOM 0 H ASN A 126 5.841 -12.016 5.821 1.00 0.00 H new ATOM 0 HA ASN A 126 5.820 -9.212 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.377 -9.797 8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.941 -10.801 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 126 9.332 -12.686 8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 126 8.844 -11.097 9.142 1.00 0.00 H new ATOM 1847 N GLU A 127 8.433 -10.431 4.740 1.00 0.00 N ATOM 1848 CA GLU A 127 9.640 -10.112 3.968 1.00 0.00 C ATOM 1849 C GLU A 127 9.636 -10.898 2.654 1.00 0.00 C ATOM 1850 O GLU A 127 10.323 -11.918 2.505 1.00 0.00 O ATOM 1851 CB GLU A 127 10.909 -10.403 4.785 1.00 0.00 C ATOM 1852 CG GLU A 127 11.166 -9.381 5.877 1.00 0.00 C ATOM 1853 CD GLU A 127 12.364 -9.732 6.739 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.240 -10.642 7.585 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.425 -9.096 6.567 1.00 0.00 O ATOM 0 H GLU A 127 8.147 -11.407 4.666 1.00 0.00 H new ATOM 0 HA GLU A 127 9.639 -9.047 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.824 -11.392 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.767 -10.431 4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.325 -8.403 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.281 -9.300 6.508 1.00 0.00 H new ATOM 1862 N SER A 128 8.833 -10.408 1.711 1.00 0.00 N ATOM 1863 CA SER A 128 8.682 -11.033 0.393 1.00 0.00 C ATOM 1864 C SER A 128 9.006 -10.044 -0.728 1.00 0.00 C ATOM 1865 O SER A 128 9.053 -8.834 -0.500 1.00 0.00 O ATOM 1866 CB SER A 128 7.256 -11.568 0.229 1.00 0.00 C ATOM 1867 OG SER A 128 6.952 -12.521 1.233 1.00 0.00 O ATOM 0 H SER A 128 8.268 -9.568 1.836 1.00 0.00 H new ATOM 0 HA SER A 128 9.387 -11.861 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.546 -10.742 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.146 -12.024 -0.755 1.00 0.00 H new ATOM 0 HG SER A 128 6.579 -13.326 0.817 1.00 0.00 H new ATOM 1873 N GLU A 129 9.257 -10.572 -1.937 1.00 0.00 N ATOM 1874 CA GLU A 129 9.572 -9.742 -3.096 1.00 0.00 C ATOM 1875 C GLU A 129 8.293 -9.361 -3.857 1.00 0.00 C ATOM 1876 O GLU A 129 7.557 -10.231 -4.336 1.00 0.00 O ATOM 1877 CB GLU A 129 10.547 -10.492 -4.013 1.00 0.00 C ATOM 1878 CG GLU A 129 11.345 -9.591 -4.942 1.00 0.00 C ATOM 1879 CD GLU A 129 12.223 -10.367 -5.905 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.209 -10.983 -5.448 1.00 0.00 O ATOM 1881 OE2 GLU A 129 11.924 -10.360 -7.118 1.00 0.00 O ATOM 0 H GLU A 129 9.246 -11.573 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 129 10.042 -8.820 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.240 -11.065 -3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.986 -11.209 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.658 -8.963 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.968 -8.924 -4.346 1.00 0.00 H new ATOM 1888 N LEU A 130 8.047 -8.051 -3.946 1.00 0.00 N ATOM 1889 CA LEU A 130 6.881 -7.510 -4.642 1.00 0.00 C ATOM 1890 C LEU A 130 7.323 -6.470 -5.673 1.00 0.00 C ATOM 1891 O LEU A 130 8.086 -5.553 -5.355 1.00 0.00 O ATOM 1892 CB LEU A 130 5.897 -6.896 -3.632 1.00 0.00 C ATOM 1893 CG LEU A 130 4.493 -6.567 -4.167 1.00 0.00 C ATOM 1894 CD1 LEU A 130 3.578 -7.783 -4.081 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.895 -5.395 -3.402 1.00 0.00 C ATOM 0 H LEU A 130 8.651 -7.338 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 130 6.371 -8.319 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.792 -7.585 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.337 -5.980 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 130 4.586 -6.287 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.591 -7.524 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.997 -8.596 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.491 -8.100 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.902 -5.175 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.821 -5.650 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.534 -4.520 -3.520 1.00 0.00 H new ATOM 1907 N PHE A 131 6.829 -6.628 -6.916 1.00 0.00 N ATOM 1908 CA PHE A 131 7.150 -5.735 -8.058 1.00 0.00 C ATOM 1909 C PHE A 131 8.670 -5.650 -8.341 1.00 0.00 C ATOM 1910 O PHE A 131 9.141 -4.708 -8.991 1.00 0.00 O ATOM 1911 CB PHE A 131 6.544 -4.321 -7.876 1.00 0.00 C ATOM 1912 CG PHE A 131 5.863 -3.814 -9.119 1.00 0.00 C ATOM 1913 CD1 PHE A 131 6.597 -3.229 -10.141 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.491 -3.936 -9.271 1.00 0.00 C ATOM 1915 CE1 PHE A 131 5.974 -2.774 -11.287 1.00 0.00 C ATOM 1916 CE2 PHE A 131 3.864 -3.480 -10.416 1.00 0.00 C ATOM 1917 CZ PHE A 131 4.607 -2.898 -11.424 1.00 0.00 C ATOM 0 H PHE A 131 6.190 -7.384 -7.163 1.00 0.00 H new ATOM 0 HA PHE A 131 6.685 -6.190 -8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 131 5.826 -4.341 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 131 7.334 -3.626 -7.591 1.00 0.00 H new ATOM 0 HD1 PHE A 131 7.667 -3.128 -10.039 1.00 0.00 H new ATOM 0 HD2 PHE A 131 3.905 -4.392 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 131 6.557 -2.321 -12.075 1.00 0.00 H new ATOM 0 HE2 PHE A 131 2.794 -3.579 -10.522 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.119 -2.540 -12.318 1.00 0.00 H new ATOM 1927 N GLY A 132 9.418 -6.655 -7.861 1.00 0.00 N ATOM 1928 CA GLY A 132 10.863 -6.700 -8.072 1.00 0.00 C ATOM 1929 C GLY A 132 11.674 -6.138 -6.911 1.00 0.00 C ATOM 1930 O GLY A 132 12.902 -6.052 -7.000 1.00 0.00 O ATOM 0 H GLY A 132 9.044 -7.440 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.163 -7.733 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.106 -6.142 -8.976 1.00 0.00 H new ATOM 1934 N ARG A 133 10.988 -5.757 -5.828 1.00 0.00 N ATOM 1935 CA ARG A 133 11.645 -5.197 -4.641 1.00 0.00 C ATOM 1936 C ARG A 133 11.218 -5.944 -3.381 1.00 0.00 C ATOM 1937 O ARG A 133 10.135 -6.530 -3.342 1.00 0.00 O ATOM 1938 CB ARG A 133 11.304 -3.709 -4.483 1.00 0.00 C ATOM 1939 CG ARG A 133 11.868 -2.812 -5.574 1.00 0.00 C ATOM 1940 CD ARG A 133 11.545 -1.350 -5.304 1.00 0.00 C ATOM 1941 NE ARG A 133 12.421 -0.769 -4.278 1.00 0.00 N ATOM 1942 CZ ARG A 133 12.619 0.545 -4.096 1.00 0.00 C ATOM 1943 NH1 ARG A 133 12.013 1.446 -4.868 1.00 0.00 N ATOM 1944 NH2 ARG A 133 13.431 0.958 -3.133 1.00 0.00 N ATOM 0 H ARG A 133 9.973 -5.827 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 133 12.721 -5.308 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.220 -3.598 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.677 -3.364 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.948 -2.944 -5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.456 -3.106 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.644 -0.781 -6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.506 -1.262 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 133 12.915 -1.412 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.386 1.141 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.176 2.441 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.901 0.278 -2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.586 1.956 -2.989 1.00 0.00 H new ATOM 1958 N THR A 134 12.073 -5.912 -2.348 1.00 0.00 N ATOM 1959 CA THR A 134 11.779 -6.570 -1.068 1.00 0.00 C ATOM 1960 C THR A 134 10.842 -5.689 -0.237 1.00 0.00 C ATOM 1961 O THR A 134 11.091 -4.489 -0.080 1.00 0.00 O ATOM 1962 CB THR A 134 13.071 -6.860 -0.260 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.168 -7.109 -1.150 1.00 0.00 O ATOM 1964 CG2 THR A 134 12.891 -8.066 0.657 1.00 0.00 C ATOM 0 H THR A 134 12.975 -5.436 -2.375 1.00 0.00 H new ATOM 0 HA THR A 134 11.299 -7.524 -1.287 1.00 0.00 H new ATOM 0 HB THR A 134 13.281 -5.982 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.978 -7.289 -0.629 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.814 -8.244 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.079 -7.872 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.651 -8.945 0.059 1.00 0.00 H new ATOM 1972 N ILE A 135 9.771 -6.291 0.291 1.00 0.00 N ATOM 1973 CA ILE A 135 8.786 -5.549 1.085 1.00 0.00 C ATOM 1974 C ILE A 135 8.719 -6.043 2.530 1.00 0.00 C ATOM 1975 O ILE A 135 9.003 -7.211 2.812 1.00 0.00 O ATOM 1976 CB ILE A 135 7.356 -5.583 0.453 1.00 0.00 C ATOM 1977 CG1 ILE A 135 6.842 -7.026 0.252 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.342 -4.823 -0.873 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.412 -7.242 0.710 1.00 0.00 C ATOM 0 H ILE A 135 9.565 -7.284 0.184 1.00 0.00 H new ATOM 0 HA ILE A 135 9.134 -4.516 1.085 1.00 0.00 H new ATOM 0 HB ILE A 135 6.680 -5.093 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.917 -7.283 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.494 -7.711 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.340 -4.856 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.629 -3.786 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.047 -5.285 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.127 -8.279 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.333 -7.018 1.774 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.747 -6.584 0.151 1.00 0.00 H new ATOM 1991 N ARG A 136 8.340 -5.131 3.429 1.00 0.00 N ATOM 1992 CA ARG A 136 8.204 -5.444 4.853 1.00 0.00 C ATOM 1993 C ARG A 136 6.789 -5.125 5.305 1.00 0.00 C ATOM 1994 O ARG A 136 6.261 -4.059 4.970 1.00 0.00 O ATOM 1995 CB ARG A 136 9.181 -4.617 5.710 1.00 0.00 C ATOM 1996 CG ARG A 136 10.636 -4.698 5.280 1.00 0.00 C ATOM 1997 CD ARG A 136 11.562 -4.135 6.347 1.00 0.00 C ATOM 1998 NE ARG A 136 12.949 -4.047 5.879 1.00 0.00 N ATOM 1999 CZ ARG A 136 13.889 -3.257 6.420 1.00 0.00 C ATOM 2000 NH1 ARG A 136 13.612 -2.465 7.454 1.00 0.00 N ATOM 2001 NH2 ARG A 136 15.116 -3.262 5.918 1.00 0.00 N ATOM 0 H ARG A 136 8.121 -4.163 3.193 1.00 0.00 H new ATOM 0 HA ARG A 136 8.429 -6.502 4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 136 8.868 -3.573 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.104 -4.949 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 136 10.900 -5.736 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 136 10.773 -4.147 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 136 11.215 -3.145 6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.518 -4.766 7.235 1.00 0.00 H new ATOM 0 HE ARG A 136 13.219 -4.628 5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 136 12.672 -2.452 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.340 -1.872 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 136 15.340 -3.864 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 136 15.836 -2.664 6.324 1.00 0.00 H new ATOM 2015 N VAL A 137 6.170 -6.038 6.058 1.00 0.00 N ATOM 2016 CA VAL A 137 4.815 -5.800 6.554 1.00 0.00 C ATOM 2017 C VAL A 137 4.752 -6.024 8.069 1.00 0.00 C ATOM 2018 O VAL A 137 5.282 -7.011 8.588 1.00 0.00 O ATOM 2019 CB VAL A 137 3.701 -6.615 5.789 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.109 -6.965 4.360 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.280 -7.873 6.518 1.00 0.00 C ATOM 0 H VAL A 137 6.577 -6.932 6.333 1.00 0.00 H new ATOM 0 HA VAL A 137 4.588 -4.755 6.346 1.00 0.00 H new ATOM 0 HB VAL A 137 2.843 -5.944 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.307 -7.525 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.297 -6.049 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.015 -7.571 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.512 -8.388 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.142 -8.528 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.882 -7.610 7.498 1.00 0.00 H new ATOM 2031 N ASN A 138 4.110 -5.076 8.761 1.00 0.00 N ATOM 2032 CA ASN A 138 3.964 -5.108 10.224 1.00 0.00 C ATOM 2033 C ASN A 138 2.634 -4.480 10.648 1.00 0.00 C ATOM 2034 O ASN A 138 1.913 -3.918 9.820 1.00 0.00 O ATOM 2035 CB ASN A 138 5.130 -4.364 10.903 1.00 0.00 C ATOM 2036 CG ASN A 138 6.463 -5.080 10.755 1.00 0.00 C ATOM 2037 OD1 ASN A 138 7.351 -4.617 10.040 1.00 0.00 O ATOM 2038 ND2 ASN A 138 6.610 -6.212 11.437 1.00 0.00 N ATOM 0 H ASN A 138 3.676 -4.263 8.324 1.00 0.00 H new ATOM 0 HA ASN A 138 3.979 -6.151 10.540 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.212 -3.364 10.477 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.906 -4.241 11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.485 -6.732 11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.847 -6.560 12.018 1.00 0.00 H new ATOM 2045 N LEU A 139 2.312 -4.585 11.948 1.00 0.00 N ATOM 2046 CA LEU A 139 1.075 -4.016 12.510 1.00 0.00 C ATOM 2047 C LEU A 139 1.121 -2.486 12.478 1.00 0.00 C ATOM 2048 O LEU A 139 2.079 -1.872 12.958 1.00 0.00 O ATOM 2049 CB LEU A 139 0.875 -4.479 13.975 1.00 0.00 C ATOM 2050 CG LEU A 139 0.511 -5.965 14.237 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -0.918 -6.276 13.811 1.00 0.00 C ATOM 2052 CD2 LEU A 139 1.489 -6.922 13.566 1.00 0.00 C ATOM 0 H LEU A 139 2.896 -5.063 12.634 1.00 0.00 H new ATOM 0 HA LEU A 139 0.243 -4.369 11.900 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.793 -4.261 14.520 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.090 -3.863 14.414 1.00 0.00 H new ATOM 0 HG LEU A 139 0.586 -6.117 15.314 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.137 -7.325 14.010 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.610 -5.648 14.373 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.031 -6.077 12.745 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.195 -7.950 13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.480 -6.756 12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 139 2.493 -6.746 13.952 1.00 0.00 H new ATOM 2064 N ALA A 140 0.076 -1.894 11.901 1.00 0.00 N ATOM 2065 CA ALA A 140 -0.031 -0.440 11.782 1.00 0.00 C ATOM 2066 C ALA A 140 -1.002 0.126 12.813 1.00 0.00 C ATOM 2067 CB ALA A 140 -0.467 -0.055 10.375 1.00 0.00 C ATOM 0 H ALA A 140 -0.714 -2.403 11.506 1.00 0.00 H new ATOM 0 HA ALA A 140 0.953 -0.012 11.975 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.542 1.030 10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.267 -0.417 9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.438 -0.501 10.160 1.00 0.00 H new