USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 MET CE :methyl 148:sc= -0.0246 (180deg=0) USER MOD Set 1.2: A 128 SER OG : rot 67:sc= -0.972 USER MOD Single : A 67 TYR OH : rot 30:sc= 0.259 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.27! K(o=-2.3!,f=-1.5) USER MOD Single : A 91 THR OG1 : rot -140:sc= -1.59! USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-2) USER MOD Single : A 124 ASN : amide:sc= -0.254 K(o=-0.25,f=-0.89) USER MOD Single : A 126 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.6) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc=-0.00164 X(o=-0.0016,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 882 N ARG A 64 -5.678 -4.987 12.125 1.00 0.00 N ATOM 883 CA ARG A 64 -6.351 -4.705 10.844 1.00 0.00 C ATOM 884 C ARG A 64 -5.517 -3.822 9.904 1.00 0.00 C ATOM 885 O ARG A 64 -5.666 -3.918 8.683 1.00 0.00 O ATOM 886 CB ARG A 64 -7.714 -4.049 11.092 1.00 0.00 C ATOM 887 CG ARG A 64 -8.750 -4.999 11.677 1.00 0.00 C ATOM 888 CD ARG A 64 -10.053 -4.286 11.990 1.00 0.00 C ATOM 889 NE ARG A 64 -10.860 -4.047 10.786 1.00 0.00 N ATOM 890 CZ ARG A 64 -12.198 -4.118 10.737 1.00 0.00 C ATOM 891 NH1 ARG A 64 -12.912 -4.420 11.819 1.00 0.00 N ATOM 892 NH2 ARG A 64 -12.824 -3.883 9.592 1.00 0.00 N ATOM 0 HA ARG A 64 -6.482 -5.667 10.348 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.584 -3.205 11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.091 -3.648 10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.939 -5.810 10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.356 -5.452 12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.629 -4.881 12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.837 -3.334 12.475 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.367 -3.810 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.442 -4.602 12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.929 -4.469 11.761 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.288 -3.650 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.842 -3.935 9.547 1.00 0.00 H new ATOM 906 N VAL A 65 -4.647 -2.970 10.467 1.00 0.00 N ATOM 907 CA VAL A 65 -3.809 -2.068 9.654 1.00 0.00 C ATOM 908 C VAL A 65 -2.355 -2.553 9.637 1.00 0.00 C ATOM 909 O VAL A 65 -1.766 -2.807 10.692 1.00 0.00 O ATOM 910 CB VAL A 65 -3.855 -0.595 10.171 1.00 0.00 C ATOM 911 CG1 VAL A 65 -3.181 0.361 9.186 1.00 0.00 C ATOM 912 CG2 VAL A 65 -5.288 -0.137 10.438 1.00 0.00 C ATOM 0 H VAL A 65 -4.504 -2.885 11.473 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.216 -2.086 8.643 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.305 -0.574 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.230 1.378 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.138 0.072 9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.694 0.315 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.280 0.892 10.796 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.867 -0.196 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.741 -0.780 11.192 1.00 0.00 H new ATOM 922 N LEU A 66 -1.793 -2.676 8.425 1.00 0.00 N ATOM 923 CA LEU A 66 -0.404 -3.122 8.250 1.00 0.00 C ATOM 924 C LEU A 66 0.397 -2.093 7.444 1.00 0.00 C ATOM 925 O LEU A 66 -0.178 -1.266 6.729 1.00 0.00 O ATOM 926 CB LEU A 66 -0.318 -4.512 7.569 1.00 0.00 C ATOM 927 CG LEU A 66 -1.599 -5.364 7.524 1.00 0.00 C ATOM 928 CD1 LEU A 66 -1.407 -6.531 6.572 1.00 0.00 C ATOM 929 CD2 LEU A 66 -1.979 -5.873 8.909 1.00 0.00 C ATOM 0 H LEU A 66 -2.280 -2.473 7.552 1.00 0.00 H new ATOM 0 HA LEU A 66 0.029 -3.214 9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.023 -4.364 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.452 -5.090 8.081 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.413 -4.734 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.317 -7.131 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.190 -6.153 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.576 -7.148 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.888 -6.471 8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.170 -6.487 9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.151 -5.026 9.573 1.00 0.00 H new ATOM 941 N TYR A 67 1.726 -2.160 7.571 1.00 0.00 N ATOM 942 CA TYR A 67 2.636 -1.262 6.865 1.00 0.00 C ATOM 943 C TYR A 67 3.449 -2.048 5.832 1.00 0.00 C ATOM 944 O TYR A 67 4.217 -2.940 6.190 1.00 0.00 O ATOM 945 CB TYR A 67 3.556 -0.546 7.891 1.00 0.00 C ATOM 946 CG TYR A 67 4.966 -0.229 7.404 1.00 0.00 C ATOM 947 CD1 TYR A 67 5.235 0.918 6.667 1.00 0.00 C ATOM 948 CD2 TYR A 67 6.022 -1.092 7.683 1.00 0.00 C ATOM 949 CE1 TYR A 67 6.517 1.196 6.222 1.00 0.00 C ATOM 950 CE2 TYR A 67 7.303 -0.822 7.242 1.00 0.00 C ATOM 951 CZ TYR A 67 7.546 0.323 6.512 1.00 0.00 C ATOM 952 OH TYR A 67 8.819 0.596 6.071 1.00 0.00 O ATOM 0 H TYR A 67 2.198 -2.840 8.167 1.00 0.00 H new ATOM 0 HA TYR A 67 2.066 -0.502 6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.077 0.386 8.193 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.630 -1.169 8.782 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.432 1.603 6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.836 -1.989 8.255 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.710 2.092 5.651 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.110 -1.504 7.468 1.00 0.00 H new ATOM 0 HH TYR A 67 8.945 1.566 6.015 1.00 0.00 H new ATOM 962 N VAL A 68 3.271 -1.702 4.556 1.00 0.00 N ATOM 963 CA VAL A 68 4.005 -2.351 3.468 1.00 0.00 C ATOM 964 C VAL A 68 5.037 -1.384 2.891 1.00 0.00 C ATOM 965 O VAL A 68 4.675 -0.349 2.322 1.00 0.00 O ATOM 966 CB VAL A 68 3.069 -2.883 2.335 1.00 0.00 C ATOM 967 CG1 VAL A 68 2.534 -4.259 2.697 1.00 0.00 C ATOM 968 CG2 VAL A 68 1.912 -1.931 2.032 1.00 0.00 C ATOM 0 H VAL A 68 2.624 -0.975 4.250 1.00 0.00 H new ATOM 0 HA VAL A 68 4.507 -3.221 3.893 1.00 0.00 H new ATOM 0 HB VAL A 68 3.672 -2.952 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.883 -4.618 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.366 -4.951 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.968 -4.196 3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.294 -2.350 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.307 -1.796 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.308 -0.967 1.713 1.00 0.00 H new ATOM 978 N GLY A 69 6.321 -1.732 3.045 1.00 0.00 N ATOM 979 CA GLY A 69 7.394 -0.881 2.551 1.00 0.00 C ATOM 980 C GLY A 69 8.379 -1.620 1.676 1.00 0.00 C ATOM 981 O GLY A 69 8.618 -2.813 1.871 1.00 0.00 O ATOM 0 H GLY A 69 6.633 -2.588 3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.964 -0.054 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.924 -0.446 3.398 1.00 0.00 H new ATOM 985 N GLY A 70 8.955 -0.897 0.711 1.00 0.00 N ATOM 986 CA GLY A 70 9.923 -1.482 -0.207 1.00 0.00 C ATOM 987 C GLY A 70 9.288 -1.858 -1.530 1.00 0.00 C ATOM 988 O GLY A 70 9.583 -2.918 -2.090 1.00 0.00 O ATOM 0 H GLY A 70 8.765 0.092 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.733 -0.774 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.366 -2.368 0.248 1.00 0.00 H new ATOM 992 N LEU A 71 8.412 -0.975 -2.020 1.00 0.00 N ATOM 993 CA LEU A 71 7.697 -1.185 -3.279 1.00 0.00 C ATOM 994 C LEU A 71 8.465 -0.583 -4.455 1.00 0.00 C ATOM 995 O LEU A 71 9.319 0.290 -4.279 1.00 0.00 O ATOM 996 CB LEU A 71 6.281 -0.597 -3.207 1.00 0.00 C ATOM 997 CG LEU A 71 5.434 -1.048 -2.010 1.00 0.00 C ATOM 998 CD1 LEU A 71 5.576 -0.062 -0.873 1.00 0.00 C ATOM 999 CD2 LEU A 71 3.976 -1.191 -2.405 1.00 0.00 C ATOM 0 H LEU A 71 8.180 -0.097 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 71 7.617 -2.260 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.359 0.490 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.751 -0.859 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 71 5.794 -2.022 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.971 -0.391 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.621 -0.004 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.238 0.921 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.395 -1.512 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.599 -0.232 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.885 -1.933 -3.199 1.00 0.00 H new ATOM 1011 N ALA A 72 8.135 -1.069 -5.651 1.00 0.00 N ATOM 1012 CA ALA A 72 8.778 -0.637 -6.900 1.00 0.00 C ATOM 1013 C ALA A 72 8.182 0.670 -7.442 1.00 0.00 C ATOM 1014 O ALA A 72 7.224 1.200 -6.883 1.00 0.00 O ATOM 1015 CB ALA A 72 8.661 -1.746 -7.938 1.00 0.00 C ATOM 0 H ALA A 72 7.412 -1.776 -5.786 1.00 0.00 H new ATOM 0 HA ALA A 72 9.828 -0.439 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.137 -1.428 -8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.153 -2.645 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.609 -1.960 -8.125 1.00 0.00 H new ATOM 1021 N GLU A 73 8.786 1.198 -8.519 1.00 0.00 N ATOM 1022 CA GLU A 73 8.323 2.434 -9.167 1.00 0.00 C ATOM 1023 C GLU A 73 6.966 2.229 -9.873 1.00 0.00 C ATOM 1024 O GLU A 73 6.153 3.155 -9.940 1.00 0.00 O ATOM 1025 CB GLU A 73 9.382 2.922 -10.175 1.00 0.00 C ATOM 1026 CG GLU A 73 9.239 4.390 -10.601 1.00 0.00 C ATOM 1027 CD GLU A 73 9.697 5.390 -9.543 1.00 0.00 C ATOM 1028 OE1 GLU A 73 10.626 5.072 -8.768 1.00 0.00 O ATOM 1029 OE2 GLU A 73 9.121 6.495 -9.492 1.00 0.00 O ATOM 0 H GLU A 73 9.605 0.782 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 73 8.182 3.190 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.371 2.780 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.333 2.294 -11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.815 4.551 -11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.195 4.587 -10.845 1.00 0.00 H new ATOM 1036 N GLU A 74 6.743 1.011 -10.390 1.00 0.00 N ATOM 1037 CA GLU A 74 5.505 0.674 -11.101 1.00 0.00 C ATOM 1038 C GLU A 74 4.515 -0.069 -10.189 1.00 0.00 C ATOM 1039 O GLU A 74 4.169 -1.235 -10.426 1.00 0.00 O ATOM 1040 CB GLU A 74 5.823 -0.153 -12.360 1.00 0.00 C ATOM 1041 CG GLU A 74 6.540 0.631 -13.450 1.00 0.00 C ATOM 1042 CD GLU A 74 6.773 -0.191 -14.702 1.00 0.00 C ATOM 1043 OE1 GLU A 74 7.679 -1.052 -14.687 1.00 0.00 O ATOM 1044 OE2 GLU A 74 6.050 0.025 -15.698 1.00 0.00 O ATOM 0 H GLU A 74 7.409 0.241 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 74 5.027 1.604 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.438 -1.007 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.893 -0.551 -12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.953 1.514 -13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.498 0.984 -13.068 1.00 0.00 H new ATOM 1051 N VAL A 75 4.071 0.625 -9.138 1.00 0.00 N ATOM 1052 CA VAL A 75 3.111 0.078 -8.176 1.00 0.00 C ATOM 1053 C VAL A 75 2.080 1.161 -7.797 1.00 0.00 C ATOM 1054 O VAL A 75 2.439 2.322 -7.578 1.00 0.00 O ATOM 1055 CB VAL A 75 3.834 -0.524 -6.918 1.00 0.00 C ATOM 1056 CG1 VAL A 75 4.549 0.533 -6.080 1.00 0.00 C ATOM 1057 CG2 VAL A 75 2.872 -1.329 -6.047 1.00 0.00 C ATOM 0 H VAL A 75 4.366 1.579 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 75 2.576 -0.750 -8.642 1.00 0.00 H new ATOM 0 HB VAL A 75 4.597 -1.197 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.029 0.056 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.303 1.031 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.825 1.268 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.408 -1.730 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.065 -0.682 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.455 -2.151 -6.629 1.00 0.00 H new ATOM 1067 N ASP A 76 0.811 0.752 -7.725 1.00 0.00 N ATOM 1068 CA ASP A 76 -0.305 1.649 -7.395 1.00 0.00 C ATOM 1069 C ASP A 76 -1.317 0.936 -6.486 1.00 0.00 C ATOM 1070 O ASP A 76 -1.089 -0.204 -6.067 1.00 0.00 O ATOM 1071 CB ASP A 76 -0.993 2.145 -8.686 1.00 0.00 C ATOM 1072 CG ASP A 76 -0.099 3.030 -9.544 1.00 0.00 C ATOM 1073 OD1 ASP A 76 0.651 3.857 -8.981 1.00 0.00 O ATOM 1074 OD2 ASP A 76 -0.151 2.894 -10.785 1.00 0.00 O ATOM 0 H ASP A 76 0.525 -0.212 -7.894 1.00 0.00 H new ATOM 0 HA ASP A 76 0.090 2.512 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.311 1.284 -9.274 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.893 2.699 -8.420 1.00 0.00 H new ATOM 1079 N ASP A 77 -2.436 1.618 -6.175 1.00 0.00 N ATOM 1080 CA ASP A 77 -3.496 1.065 -5.311 1.00 0.00 C ATOM 1081 C ASP A 77 -4.181 -0.155 -5.942 1.00 0.00 C ATOM 1082 O ASP A 77 -4.535 -1.106 -5.240 1.00 0.00 O ATOM 1083 CB ASP A 77 -4.551 2.136 -5.009 1.00 0.00 C ATOM 1084 CG ASP A 77 -3.994 3.308 -4.223 1.00 0.00 C ATOM 1085 OD1 ASP A 77 -4.022 3.253 -2.976 1.00 0.00 O ATOM 1086 OD2 ASP A 77 -3.527 4.279 -4.855 1.00 0.00 O ATOM 0 H ASP A 77 -2.630 2.561 -6.513 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.016 0.743 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.970 2.500 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.369 1.685 -4.448 1.00 0.00 H new ATOM 1091 N LYS A 78 -4.360 -0.111 -7.273 1.00 0.00 N ATOM 1092 CA LYS A 78 -5.017 -1.194 -8.032 1.00 0.00 C ATOM 1093 C LYS A 78 -4.196 -2.492 -8.019 1.00 0.00 C ATOM 1094 O LYS A 78 -4.751 -3.579 -7.828 1.00 0.00 O ATOM 1095 CB LYS A 78 -5.266 -0.755 -9.491 1.00 0.00 C ATOM 1096 CG LYS A 78 -6.032 0.564 -9.653 1.00 0.00 C ATOM 1097 CD LYS A 78 -7.503 0.449 -9.267 1.00 0.00 C ATOM 1098 CE LYS A 78 -8.206 1.793 -9.366 1.00 0.00 C ATOM 1099 NZ LYS A 78 -8.591 2.119 -10.767 1.00 0.00 N ATOM 0 H LYS A 78 -4.056 0.671 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.969 -1.395 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.304 -0.663 -9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.819 -1.543 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.559 1.330 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.958 0.896 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.997 -0.271 -9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.586 0.067 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.097 1.783 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.552 2.574 -8.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.067 3.043 -10.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.739 2.154 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.236 1.388 -11.129 1.00 0.00 H new ATOM 1113 N VAL A 79 -2.873 -2.363 -8.214 1.00 0.00 N ATOM 1114 CA VAL A 79 -1.954 -3.517 -8.226 1.00 0.00 C ATOM 1115 C VAL A 79 -1.728 -4.082 -6.811 1.00 0.00 C ATOM 1116 O VAL A 79 -1.664 -5.302 -6.624 1.00 0.00 O ATOM 1117 CB VAL A 79 -0.580 -3.181 -8.891 1.00 0.00 C ATOM 1118 CG1 VAL A 79 -0.731 -2.956 -10.388 1.00 0.00 C ATOM 1119 CG2 VAL A 79 0.082 -1.967 -8.262 1.00 0.00 C ATOM 0 H VAL A 79 -2.412 -1.466 -8.366 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.442 -4.280 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 79 0.061 -4.046 -8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.242 -2.724 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.130 -3.858 -10.853 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.414 -2.125 -10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.033 -1.774 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.568 -1.099 -8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.257 -2.156 -7.203 1.00 0.00 H new ATOM 1129 N LEU A 80 -1.614 -3.174 -5.822 1.00 0.00 N ATOM 1130 CA LEU A 80 -1.396 -3.547 -4.412 1.00 0.00 C ATOM 1131 C LEU A 80 -2.597 -4.322 -3.852 1.00 0.00 C ATOM 1132 O LEU A 80 -2.431 -5.237 -3.040 1.00 0.00 O ATOM 1133 CB LEU A 80 -1.130 -2.292 -3.567 1.00 0.00 C ATOM 1134 CG LEU A 80 -0.267 -2.506 -2.312 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.555 -1.265 -2.010 1.00 0.00 C ATOM 1136 CD2 LEU A 80 -1.125 -2.862 -1.107 1.00 0.00 C ATOM 0 H LEU A 80 -1.670 -2.167 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.523 -4.198 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.644 -1.548 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.088 -1.873 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 80 0.406 -3.339 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.159 -1.436 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.209 -1.047 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.112 -0.420 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.486 -3.007 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.829 -2.054 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.675 -3.781 -1.311 1.00 0.00 H new ATOM 1148 N HIS A 81 -3.802 -3.935 -4.300 1.00 0.00 N ATOM 1149 CA HIS A 81 -5.057 -4.576 -3.884 1.00 0.00 C ATOM 1150 C HIS A 81 -5.156 -6.012 -4.434 1.00 0.00 C ATOM 1151 O HIS A 81 -5.493 -6.948 -3.702 1.00 0.00 O ATOM 1152 CB HIS A 81 -6.244 -3.731 -4.374 1.00 0.00 C ATOM 1153 CG HIS A 81 -7.515 -3.931 -3.600 1.00 0.00 C ATOM 1154 ND1 HIS A 81 -7.891 -3.118 -2.552 1.00 0.00 N ATOM 1155 CD2 HIS A 81 -8.502 -4.848 -3.737 1.00 0.00 C ATOM 1156 CE1 HIS A 81 -9.055 -3.526 -2.077 1.00 0.00 C ATOM 1157 NE2 HIS A 81 -9.446 -4.573 -2.779 1.00 0.00 N ATOM 0 H HIS A 81 -3.932 -3.169 -4.961 1.00 0.00 H new ATOM 0 HA HIS A 81 -5.077 -4.637 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -5.967 -2.678 -4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.432 -3.965 -5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.539 -5.646 -4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -9.594 -3.079 -1.255 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.311 -5.094 -2.633 1.00 0.00 H new ATOM 1166 N ALA A 82 -4.841 -6.166 -5.730 1.00 0.00 N ATOM 1167 CA ALA A 82 -4.886 -7.465 -6.418 1.00 0.00 C ATOM 1168 C ALA A 82 -3.782 -8.431 -5.960 1.00 0.00 C ATOM 1169 O ALA A 82 -3.906 -9.645 -6.148 1.00 0.00 O ATOM 1170 CB ALA A 82 -4.804 -7.256 -7.922 1.00 0.00 C ATOM 0 H ALA A 82 -4.548 -5.394 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.836 -7.929 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.838 -8.222 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.645 -6.645 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.870 -6.751 -8.169 1.00 0.00 H new ATOM 1176 N ALA A 83 -2.706 -7.887 -5.367 1.00 0.00 N ATOM 1177 CA ALA A 83 -1.572 -8.697 -4.904 1.00 0.00 C ATOM 1178 C ALA A 83 -1.825 -9.254 -3.507 1.00 0.00 C ATOM 1179 O ALA A 83 -1.412 -10.372 -3.186 1.00 0.00 O ATOM 1180 CB ALA A 83 -0.293 -7.874 -4.923 1.00 0.00 C ATOM 0 H ALA A 83 -2.600 -6.887 -5.198 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.459 -9.540 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.539 -8.487 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.095 -7.533 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.406 -7.011 -4.266 1.00 0.00 H new ATOM 1186 N PHE A 84 -2.510 -8.451 -2.692 1.00 0.00 N ATOM 1187 CA PHE A 84 -2.839 -8.814 -1.320 1.00 0.00 C ATOM 1188 C PHE A 84 -4.263 -9.378 -1.199 1.00 0.00 C ATOM 1189 O PHE A 84 -4.691 -9.760 -0.104 1.00 0.00 O ATOM 1190 CB PHE A 84 -2.673 -7.590 -0.422 1.00 0.00 C ATOM 1191 CG PHE A 84 -1.242 -7.272 -0.085 1.00 0.00 C ATOM 1192 CD1 PHE A 84 -0.638 -7.829 1.031 1.00 0.00 C ATOM 1193 CD2 PHE A 84 -0.503 -6.414 -0.884 1.00 0.00 C ATOM 1194 CE1 PHE A 84 0.677 -7.537 1.343 1.00 0.00 C ATOM 1195 CE2 PHE A 84 0.812 -6.118 -0.577 1.00 0.00 C ATOM 1196 CZ PHE A 84 1.401 -6.681 0.538 1.00 0.00 C ATOM 0 H PHE A 84 -2.851 -7.530 -2.968 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.156 -9.602 -1.003 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.121 -6.727 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.227 -7.752 0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.201 -8.499 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.960 -5.971 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.137 -7.978 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.377 -5.448 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.428 -6.451 0.780 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.988 -9.438 -2.331 1.00 0.00 N ATOM 1207 CA ILE A 85 -6.363 -9.959 -2.363 1.00 0.00 C ATOM 1208 C ILE A 85 -6.452 -11.506 -2.142 1.00 0.00 C ATOM 1209 O ILE A 85 -7.451 -11.958 -1.574 1.00 0.00 O ATOM 1210 CB ILE A 85 -7.120 -9.505 -3.667 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -8.644 -9.661 -3.516 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.641 -10.244 -4.918 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -9.326 -8.502 -2.812 1.00 0.00 C ATOM 0 H ILE A 85 -4.640 -9.130 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.873 -9.515 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.883 -8.449 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.085 -9.779 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.850 -10.578 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.198 -9.890 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.578 -10.055 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.805 -11.314 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.397 -8.694 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.917 -8.395 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.155 -7.584 -3.374 1.00 0.00 H new ATOM 1225 N PRO A 86 -5.441 -12.351 -2.568 1.00 0.00 N ATOM 1226 CA PRO A 86 -5.508 -13.822 -2.364 1.00 0.00 C ATOM 1227 C PRO A 86 -5.610 -14.239 -0.890 1.00 0.00 C ATOM 1228 O PRO A 86 -6.106 -15.328 -0.587 1.00 0.00 O ATOM 1229 CB PRO A 86 -4.193 -14.340 -2.960 1.00 0.00 C ATOM 1230 CG PRO A 86 -3.761 -13.280 -3.907 1.00 0.00 C ATOM 1231 CD PRO A 86 -4.188 -11.987 -3.279 1.00 0.00 C ATOM 0 HA PRO A 86 -6.405 -14.230 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.445 -14.506 -2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.338 -15.292 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.682 -13.305 -4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.224 -13.414 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.433 -11.604 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.360 -11.214 -4.027 1.00 0.00 H new ATOM 1239 N PHE A 87 -5.138 -13.367 0.019 1.00 0.00 N ATOM 1240 CA PHE A 87 -5.169 -13.647 1.466 1.00 0.00 C ATOM 1241 C PHE A 87 -6.568 -13.426 2.062 1.00 0.00 C ATOM 1242 O PHE A 87 -6.949 -14.103 3.021 1.00 0.00 O ATOM 1243 CB PHE A 87 -4.159 -12.769 2.225 1.00 0.00 C ATOM 1244 CG PHE A 87 -2.745 -12.813 1.698 1.00 0.00 C ATOM 1245 CD1 PHE A 87 -1.938 -13.921 1.913 1.00 0.00 C ATOM 1246 CD2 PHE A 87 -2.222 -11.735 0.995 1.00 0.00 C ATOM 1247 CE1 PHE A 87 -0.641 -13.954 1.438 1.00 0.00 C ATOM 1248 CE2 PHE A 87 -0.925 -11.765 0.519 1.00 0.00 C ATOM 1249 CZ PHE A 87 -0.134 -12.875 0.741 1.00 0.00 C ATOM 0 H PHE A 87 -4.731 -12.463 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.899 -14.697 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.508 -11.737 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.150 -13.075 3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.328 -14.768 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.836 -10.864 0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.024 -14.823 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.530 -10.921 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.880 -12.899 0.370 1.00 0.00 H new ATOM 1259 N GLY A 88 -7.317 -12.475 1.484 1.00 0.00 N ATOM 1260 CA GLY A 88 -8.657 -12.165 1.968 1.00 0.00 C ATOM 1261 C GLY A 88 -9.219 -10.892 1.357 1.00 0.00 C ATOM 1262 O GLY A 88 -8.765 -10.453 0.297 1.00 0.00 O ATOM 0 H GLY A 88 -7.014 -11.915 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.323 -12.997 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.633 -12.063 3.053 1.00 0.00 H new ATOM 1266 N ASP A 89 -10.215 -10.306 2.037 1.00 0.00 N ATOM 1267 CA ASP A 89 -10.866 -9.070 1.581 1.00 0.00 C ATOM 1268 C ASP A 89 -10.105 -7.829 2.054 1.00 0.00 C ATOM 1269 O ASP A 89 -9.655 -7.769 3.202 1.00 0.00 O ATOM 1270 CB ASP A 89 -12.314 -9.011 2.086 1.00 0.00 C ATOM 1271 CG ASP A 89 -13.214 -10.069 1.463 1.00 0.00 C ATOM 1272 OD1 ASP A 89 -13.099 -10.314 0.242 1.00 0.00 O ATOM 1273 OD2 ASP A 89 -14.034 -10.654 2.201 1.00 0.00 O ATOM 0 H ASP A 89 -10.590 -10.672 2.912 1.00 0.00 H new ATOM 0 HA ASP A 89 -10.862 -9.079 0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.319 -9.132 3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.725 -8.024 1.874 1.00 0.00 H new ATOM 1278 N ILE A 90 -9.971 -6.848 1.154 1.00 0.00 N ATOM 1279 CA ILE A 90 -9.272 -5.593 1.457 1.00 0.00 C ATOM 1280 C ILE A 90 -10.240 -4.415 1.324 1.00 0.00 C ATOM 1281 O ILE A 90 -11.116 -4.420 0.454 1.00 0.00 O ATOM 1282 CB ILE A 90 -8.036 -5.364 0.532 1.00 0.00 C ATOM 1283 CG1 ILE A 90 -7.158 -6.622 0.472 1.00 0.00 C ATOM 1284 CG2 ILE A 90 -7.195 -4.175 1.019 1.00 0.00 C ATOM 1285 CD1 ILE A 90 -6.521 -6.857 -0.881 1.00 0.00 C ATOM 0 H ILE A 90 -10.340 -6.900 0.204 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.906 -5.664 2.481 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.412 -5.144 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.373 -6.542 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.764 -7.490 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.340 -4.038 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.805 -3.272 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.841 -4.370 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.916 -7.763 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.300 -6.970 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.888 -6.008 -1.137 1.00 0.00 H new ATOM 1297 N THR A 91 -10.068 -3.413 2.194 1.00 0.00 N ATOM 1298 CA THR A 91 -10.921 -2.223 2.186 1.00 0.00 C ATOM 1299 C THR A 91 -10.345 -1.112 1.298 1.00 0.00 C ATOM 1300 O THR A 91 -10.932 -0.790 0.261 1.00 0.00 O ATOM 1301 CB THR A 91 -11.159 -1.678 3.615 1.00 0.00 C ATOM 1302 OG1 THR A 91 -9.980 -1.835 4.412 1.00 0.00 O ATOM 1303 CG2 THR A 91 -12.323 -2.398 4.279 1.00 0.00 C ATOM 0 H THR A 91 -9.344 -3.404 2.913 1.00 0.00 H new ATOM 0 HA THR A 91 -11.878 -2.536 1.769 1.00 0.00 H new ATOM 0 HB THR A 91 -11.399 -0.618 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 91 -10.232 -2.111 5.318 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.473 -1.999 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 91 -13.228 -2.247 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.104 -3.464 4.341 1.00 0.00 H new ATOM 1311 N ASP A 92 -9.197 -0.530 1.702 1.00 0.00 N ATOM 1312 CA ASP A 92 -8.560 0.557 0.937 1.00 0.00 C ATOM 1313 C ASP A 92 -7.032 0.546 1.072 1.00 0.00 C ATOM 1314 O ASP A 92 -6.483 -0.012 2.031 1.00 0.00 O ATOM 1315 CB ASP A 92 -9.094 1.929 1.398 1.00 0.00 C ATOM 1316 CG ASP A 92 -10.549 2.172 1.022 1.00 0.00 C ATOM 1317 OD1 ASP A 92 -10.940 1.836 -0.118 1.00 0.00 O ATOM 1318 OD2 ASP A 92 -11.298 2.697 1.871 1.00 0.00 O ATOM 0 H ASP A 92 -8.696 -0.794 2.550 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.812 0.390 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.989 2.006 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.478 2.715 0.961 1.00 0.00 H new ATOM 1323 N ILE A 93 -6.367 1.171 0.087 1.00 0.00 N ATOM 1324 CA ILE A 93 -4.904 1.301 0.062 1.00 0.00 C ATOM 1325 C ILE A 93 -4.555 2.794 0.134 1.00 0.00 C ATOM 1326 O ILE A 93 -5.100 3.591 -0.634 1.00 0.00 O ATOM 1327 CB ILE A 93 -4.265 0.673 -1.233 1.00 0.00 C ATOM 1328 CG1 ILE A 93 -4.775 -0.767 -1.538 1.00 0.00 C ATOM 1329 CG2 ILE A 93 -2.733 0.674 -1.155 1.00 0.00 C ATOM 1330 CD1 ILE A 93 -4.851 -1.719 -0.348 1.00 0.00 C ATOM 0 H ILE A 93 -6.830 1.600 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.497 0.756 0.914 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.588 1.311 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.768 -0.692 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.122 -1.210 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.322 0.234 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.375 1.698 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.412 0.090 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.219 -2.689 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.859 -1.837 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -5.530 -1.312 0.401 1.00 0.00 H new ATOM 1342 N GLN A 94 -3.660 3.166 1.057 1.00 0.00 N ATOM 1343 CA GLN A 94 -3.260 4.570 1.213 1.00 0.00 C ATOM 1344 C GLN A 94 -1.744 4.747 1.151 1.00 0.00 C ATOM 1345 O GLN A 94 -1.000 4.083 1.878 1.00 0.00 O ATOM 1346 CB GLN A 94 -3.801 5.146 2.526 1.00 0.00 C ATOM 1347 CG GLN A 94 -5.309 5.357 2.528 1.00 0.00 C ATOM 1348 CD GLN A 94 -5.808 6.010 3.802 1.00 0.00 C ATOM 1349 OE1 GLN A 94 -6.057 5.337 4.802 1.00 0.00 O ATOM 1350 NE2 GLN A 94 -5.956 7.329 3.772 1.00 0.00 N ATOM 0 H GLN A 94 -3.203 2.521 1.702 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.693 5.118 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.536 4.475 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.310 6.099 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.586 5.976 1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.806 4.396 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.738 7.847 2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.288 7.824 4.600 1.00 0.00 H new ATOM 1359 N ILE A 95 -1.309 5.652 0.267 1.00 0.00 N ATOM 1360 CA ILE A 95 0.115 5.966 0.083 1.00 0.00 C ATOM 1361 C ILE A 95 0.332 7.490 0.189 1.00 0.00 C ATOM 1362 O ILE A 95 -0.227 8.235 -0.623 1.00 0.00 O ATOM 1363 CB ILE A 95 0.667 5.465 -1.291 1.00 0.00 C ATOM 1364 CG1 ILE A 95 0.045 4.123 -1.697 1.00 0.00 C ATOM 1365 CG2 ILE A 95 2.189 5.329 -1.252 1.00 0.00 C ATOM 1366 CD1 ILE A 95 -1.130 4.261 -2.635 1.00 0.00 C ATOM 0 H ILE A 95 -1.931 6.186 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 95 0.661 5.445 0.870 1.00 0.00 H new ATOM 0 HB ILE A 95 0.391 6.213 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.808 3.507 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.277 3.595 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.548 4.979 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.635 6.298 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.471 4.613 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.519 3.272 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.912 4.850 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.809 4.761 -3.549 1.00 0.00 H new ATOM 1378 N PRO A 96 1.135 7.996 1.187 1.00 0.00 N ATOM 1379 CA PRO A 96 1.398 9.449 1.333 1.00 0.00 C ATOM 1380 C PRO A 96 2.038 10.062 0.081 1.00 0.00 C ATOM 1381 O PRO A 96 3.066 9.575 -0.404 1.00 0.00 O ATOM 1382 CB PRO A 96 2.369 9.530 2.519 1.00 0.00 C ATOM 1383 CG PRO A 96 2.158 8.266 3.277 1.00 0.00 C ATOM 1384 CD PRO A 96 1.820 7.221 2.252 1.00 0.00 C ATOM 0 HA PRO A 96 0.474 10.007 1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.401 9.619 2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.162 10.402 3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 96 3.054 7.991 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.352 8.376 4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.714 6.723 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.174 6.447 2.665 1.00 0.00 H new ATOM 1392 N LEU A 97 1.413 11.125 -0.436 1.00 0.00 N ATOM 1393 CA LEU A 97 1.899 11.807 -1.635 1.00 0.00 C ATOM 1394 C LEU A 97 2.039 13.311 -1.394 1.00 0.00 C ATOM 1395 O LEU A 97 1.145 13.939 -0.821 1.00 0.00 O ATOM 1396 CB LEU A 97 0.938 11.553 -2.806 1.00 0.00 C ATOM 1397 CG LEU A 97 1.545 11.692 -4.205 1.00 0.00 C ATOM 1398 CD1 LEU A 97 1.957 10.330 -4.743 1.00 0.00 C ATOM 1399 CD2 LEU A 97 0.557 12.364 -5.146 1.00 0.00 C ATOM 0 H LEU A 97 0.566 11.531 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 97 2.883 11.408 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.530 10.547 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.101 12.247 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 97 2.435 12.317 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.386 10.447 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.697 9.885 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.083 9.681 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.003 12.456 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.350 11.763 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.309 13.355 -4.766 1.00 0.00 H new ATOM 1411 N ASP A 98 3.172 13.874 -1.836 1.00 0.00 N ATOM 1412 CA ASP A 98 3.442 15.311 -1.694 1.00 0.00 C ATOM 1413 C ASP A 98 2.914 16.071 -2.908 1.00 0.00 C ATOM 1414 O ASP A 98 2.970 15.567 -4.028 1.00 0.00 O ATOM 1415 CB ASP A 98 4.945 15.581 -1.531 1.00 0.00 C ATOM 1416 CG ASP A 98 5.531 14.928 -0.290 1.00 0.00 C ATOM 1417 OD1 ASP A 98 5.535 15.577 0.777 1.00 0.00 O ATOM 1418 OD2 ASP A 98 5.987 13.769 -0.388 1.00 0.00 O ATOM 0 H ASP A 98 3.919 13.354 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 98 2.929 15.659 -0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.473 15.215 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.113 16.657 -1.483 1.00 0.00 H new ATOM 1423 N TYR A 99 2.390 17.279 -2.673 1.00 0.00 N ATOM 1424 CA TYR A 99 1.844 18.131 -3.746 1.00 0.00 C ATOM 1425 C TYR A 99 2.914 18.578 -4.751 1.00 0.00 C ATOM 1426 O TYR A 99 2.639 18.711 -5.946 1.00 0.00 O ATOM 1427 CB TYR A 99 1.168 19.368 -3.144 1.00 0.00 C ATOM 1428 CG TYR A 99 -0.095 19.064 -2.366 1.00 0.00 C ATOM 1429 CD1 TYR A 99 -1.284 18.789 -3.027 1.00 0.00 C ATOM 1430 CD2 TYR A 99 -0.099 19.057 -0.977 1.00 0.00 C ATOM 1431 CE1 TYR A 99 -2.444 18.515 -2.328 1.00 0.00 C ATOM 1432 CE2 TYR A 99 -1.255 18.782 -0.269 1.00 0.00 C ATOM 1433 CZ TYR A 99 -2.423 18.512 -0.949 1.00 0.00 C ATOM 1434 OH TYR A 99 -3.576 18.239 -0.249 1.00 0.00 O ATOM 0 H TYR A 99 2.330 17.695 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 99 1.116 17.526 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.876 19.871 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.929 20.065 -3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.303 18.789 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.815 19.270 -0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.361 18.305 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.242 18.779 0.811 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.391 18.275 0.713 1.00 0.00 H new ATOM 1444 N GLU A 100 4.130 18.804 -4.241 1.00 0.00 N ATOM 1445 CA GLU A 100 5.269 19.266 -5.049 1.00 0.00 C ATOM 1446 C GLU A 100 5.826 18.172 -5.986 1.00 0.00 C ATOM 1447 O GLU A 100 6.029 18.426 -7.177 1.00 0.00 O ATOM 1448 CB GLU A 100 6.374 19.779 -4.107 1.00 0.00 C ATOM 1449 CG GLU A 100 7.463 20.606 -4.790 1.00 0.00 C ATOM 1450 CD GLU A 100 8.601 20.968 -3.853 1.00 0.00 C ATOM 1451 OE1 GLU A 100 9.295 20.047 -3.372 1.00 0.00 O ATOM 1452 OE2 GLU A 100 8.799 22.176 -3.602 1.00 0.00 O ATOM 0 H GLU A 100 4.354 18.672 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 100 4.915 20.069 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.914 20.384 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.840 18.924 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.860 20.047 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.022 21.520 -5.189 1.00 0.00 H new ATOM 1459 N THR A 101 6.068 16.972 -5.444 1.00 0.00 N ATOM 1460 CA THR A 101 6.631 15.860 -6.229 1.00 0.00 C ATOM 1461 C THR A 101 5.565 14.927 -6.794 1.00 0.00 C ATOM 1462 O THR A 101 5.771 14.333 -7.854 1.00 0.00 O ATOM 1463 CB THR A 101 7.620 15.028 -5.382 1.00 0.00 C ATOM 1464 OG1 THR A 101 7.013 14.651 -4.141 1.00 0.00 O ATOM 1465 CG2 THR A 101 8.904 15.803 -5.110 1.00 0.00 C ATOM 0 H THR A 101 5.884 16.744 -4.467 1.00 0.00 H new ATOM 0 HA THR A 101 7.151 16.326 -7.066 1.00 0.00 H new ATOM 0 HB THR A 101 7.873 14.133 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.648 14.123 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.579 15.191 -4.512 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.384 16.055 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.668 16.719 -4.568 1.00 0.00 H new ATOM 1473 N GLU A 102 4.411 14.823 -6.107 1.00 0.00 N ATOM 1474 CA GLU A 102 3.293 13.931 -6.521 1.00 0.00 C ATOM 1475 C GLU A 102 3.765 12.468 -6.682 1.00 0.00 C ATOM 1476 O GLU A 102 3.153 11.673 -7.408 1.00 0.00 O ATOM 1477 CB GLU A 102 2.627 14.435 -7.821 1.00 0.00 C ATOM 1478 CG GLU A 102 1.883 15.754 -7.664 1.00 0.00 C ATOM 1479 CD GLU A 102 1.188 16.187 -8.940 1.00 0.00 C ATOM 1480 OE1 GLU A 102 1.885 16.659 -9.864 1.00 0.00 O ATOM 1481 OE2 GLU A 102 -0.051 16.054 -9.017 1.00 0.00 O ATOM 0 H GLU A 102 4.221 15.348 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 102 2.548 13.956 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.393 14.551 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.930 13.677 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.145 15.658 -6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.585 16.529 -7.356 1.00 0.00 H new ATOM 1488 N LYS A 103 4.852 12.130 -5.973 1.00 0.00 N ATOM 1489 CA LYS A 103 5.442 10.789 -6.019 1.00 0.00 C ATOM 1490 C LYS A 103 5.440 10.166 -4.623 1.00 0.00 C ATOM 1491 O LYS A 103 5.401 10.885 -3.620 1.00 0.00 O ATOM 1492 CB LYS A 103 6.889 10.838 -6.553 1.00 0.00 C ATOM 1493 CG LYS A 103 7.080 11.673 -7.819 1.00 0.00 C ATOM 1494 CD LYS A 103 8.296 11.224 -8.609 1.00 0.00 C ATOM 1495 CE LYS A 103 8.486 12.065 -9.863 1.00 0.00 C ATOM 1496 NZ LYS A 103 9.328 11.371 -10.875 1.00 0.00 N ATOM 0 H LYS A 103 5.343 12.777 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 103 4.840 10.181 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.536 11.237 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.222 9.819 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 103 6.191 11.595 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.189 12.723 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.185 11.296 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.185 10.176 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.513 12.295 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.949 13.015 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.433 11.977 -11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.266 11.174 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.874 10.476 -11.149 1.00 0.00 H new ATOM 1510 N HIS A 104 5.486 8.828 -4.564 1.00 0.00 N ATOM 1511 CA HIS A 104 5.497 8.111 -3.285 1.00 0.00 C ATOM 1512 C HIS A 104 6.934 7.832 -2.824 1.00 0.00 C ATOM 1513 O HIS A 104 7.864 7.827 -3.638 1.00 0.00 O ATOM 1514 CB HIS A 104 4.679 6.805 -3.380 1.00 0.00 C ATOM 1515 CG HIS A 104 5.229 5.770 -4.325 1.00 0.00 C ATOM 1516 ND1 HIS A 104 5.865 4.624 -3.893 1.00 0.00 N ATOM 1517 CD2 HIS A 104 5.226 5.711 -5.678 1.00 0.00 C ATOM 1518 CE1 HIS A 104 6.226 3.903 -4.941 1.00 0.00 C ATOM 1519 NE2 HIS A 104 5.850 4.541 -6.035 1.00 0.00 N ATOM 0 H HIS A 104 5.516 8.224 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 104 5.025 8.748 -2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 104 4.611 6.365 -2.385 1.00 0.00 H new ATOM 0 HB3 HIS A 104 3.664 7.053 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 104 4.810 6.447 -6.351 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.741 2.954 -4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 104 5.999 4.217 -6.991 1.00 0.00 H new ATOM 1528 N ARG A 105 7.098 7.600 -1.517 1.00 0.00 N ATOM 1529 CA ARG A 105 8.414 7.325 -0.927 1.00 0.00 C ATOM 1530 C ARG A 105 8.755 5.826 -0.952 1.00 0.00 C ATOM 1531 O ARG A 105 9.832 5.423 -0.494 1.00 0.00 O ATOM 1532 CB ARG A 105 8.479 7.859 0.509 1.00 0.00 C ATOM 1533 CG ARG A 105 8.418 9.377 0.616 1.00 0.00 C ATOM 1534 CD ARG A 105 8.611 9.840 2.051 1.00 0.00 C ATOM 1535 NE ARG A 105 8.356 11.276 2.206 1.00 0.00 N ATOM 1536 CZ ARG A 105 8.563 11.970 3.333 1.00 0.00 C ATOM 1537 NH1 ARG A 105 9.036 11.379 4.430 1.00 0.00 N ATOM 1538 NH2 ARG A 105 8.296 13.268 3.361 1.00 0.00 N ATOM 0 H ARG A 105 6.332 7.597 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 105 9.156 7.841 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.655 7.433 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.402 7.510 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.187 9.819 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.457 9.731 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.942 9.281 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.629 9.616 2.370 1.00 0.00 H new ATOM 0 HE ARG A 105 7.995 11.783 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.247 10.381 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.187 11.925 5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.935 13.733 2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.451 13.802 4.216 1.00 0.00 H new ATOM 1552 N GLY A 106 7.843 5.009 -1.499 1.00 0.00 N ATOM 1553 CA GLY A 106 8.069 3.572 -1.583 1.00 0.00 C ATOM 1554 C GLY A 106 7.448 2.773 -0.447 1.00 0.00 C ATOM 1555 O GLY A 106 7.882 1.648 -0.189 1.00 0.00 O ATOM 0 H GLY A 106 6.952 5.322 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.668 3.208 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.143 3.385 -1.598 1.00 0.00 H new ATOM 1559 N PHE A 107 6.461 3.358 0.256 1.00 0.00 N ATOM 1560 CA PHE A 107 5.761 2.654 1.339 1.00 0.00 C ATOM 1561 C PHE A 107 4.282 3.044 1.387 1.00 0.00 C ATOM 1562 O PHE A 107 3.911 4.159 1.007 1.00 0.00 O ATOM 1563 CB PHE A 107 6.441 2.870 2.714 1.00 0.00 C ATOM 1564 CG PHE A 107 6.474 4.295 3.216 1.00 0.00 C ATOM 1565 CD1 PHE A 107 5.427 4.798 3.973 1.00 0.00 C ATOM 1566 CD2 PHE A 107 7.557 5.115 2.949 1.00 0.00 C ATOM 1567 CE1 PHE A 107 5.460 6.094 4.452 1.00 0.00 C ATOM 1568 CE2 PHE A 107 7.594 6.412 3.425 1.00 0.00 C ATOM 1569 CZ PHE A 107 6.544 6.902 4.177 1.00 0.00 C ATOM 0 H PHE A 107 6.134 4.310 0.093 1.00 0.00 H new ATOM 0 HA PHE A 107 5.823 1.589 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 107 5.926 2.256 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.465 2.503 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.576 4.170 4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 107 8.382 4.737 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.638 6.474 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 107 8.444 7.042 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 107 6.572 7.916 4.549 1.00 0.00 H new ATOM 1579 N ALA A 108 3.451 2.106 1.864 1.00 0.00 N ATOM 1580 CA ALA A 108 1.998 2.301 1.973 1.00 0.00 C ATOM 1581 C ALA A 108 1.418 1.466 3.117 1.00 0.00 C ATOM 1582 O ALA A 108 2.088 0.572 3.637 1.00 0.00 O ATOM 1583 CB ALA A 108 1.313 1.923 0.661 1.00 0.00 C ATOM 0 H ALA A 108 3.767 1.191 2.185 1.00 0.00 H new ATOM 0 HA ALA A 108 1.815 3.355 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.237 2.072 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.697 2.550 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.515 0.876 0.433 1.00 0.00 H new ATOM 1589 N PHE A 109 0.184 1.786 3.523 1.00 0.00 N ATOM 1590 CA PHE A 109 -0.507 1.038 4.576 1.00 0.00 C ATOM 1591 C PHE A 109 -1.732 0.358 3.973 1.00 0.00 C ATOM 1592 O PHE A 109 -2.437 0.966 3.161 1.00 0.00 O ATOM 1593 CB PHE A 109 -0.931 1.954 5.736 1.00 0.00 C ATOM 1594 CG PHE A 109 0.199 2.742 6.345 1.00 0.00 C ATOM 1595 CD1 PHE A 109 0.531 3.993 5.849 1.00 0.00 C ATOM 1596 CD2 PHE A 109 0.925 2.234 7.410 1.00 0.00 C ATOM 1597 CE1 PHE A 109 1.565 4.723 6.403 1.00 0.00 C ATOM 1598 CE2 PHE A 109 1.961 2.960 7.969 1.00 0.00 C ATOM 1599 CZ PHE A 109 2.281 4.205 7.465 1.00 0.00 C ATOM 0 H PHE A 109 -0.356 2.560 3.136 1.00 0.00 H new ATOM 0 HA PHE A 109 0.178 0.293 4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.691 2.648 5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.395 1.347 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.026 4.402 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.679 1.261 7.808 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.813 5.697 6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.519 2.553 8.799 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.090 4.773 7.900 1.00 0.00 H new ATOM 1609 N VAL A 110 -1.983 -0.891 4.367 1.00 0.00 N ATOM 1610 CA VAL A 110 -3.125 -1.643 3.837 1.00 0.00 C ATOM 1611 C VAL A 110 -4.111 -2.023 4.951 1.00 0.00 C ATOM 1612 O VAL A 110 -3.711 -2.504 6.016 1.00 0.00 O ATOM 1613 CB VAL A 110 -2.652 -2.896 3.010 1.00 0.00 C ATOM 1614 CG1 VAL A 110 -1.817 -3.879 3.836 1.00 0.00 C ATOM 1615 CG2 VAL A 110 -3.830 -3.620 2.358 1.00 0.00 C ATOM 0 H VAL A 110 -1.417 -1.401 5.045 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.662 -0.991 3.147 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.005 -2.503 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.521 -4.721 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.926 -3.375 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.408 -4.242 4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.463 -4.479 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.521 -3.959 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.347 -2.939 1.682 1.00 0.00 H new ATOM 1625 N GLU A 111 -5.400 -1.795 4.671 1.00 0.00 N ATOM 1626 CA GLU A 111 -6.476 -2.098 5.613 1.00 0.00 C ATOM 1627 C GLU A 111 -7.294 -3.293 5.138 1.00 0.00 C ATOM 1628 O GLU A 111 -7.613 -3.403 3.952 1.00 0.00 O ATOM 1629 CB GLU A 111 -7.391 -0.882 5.778 1.00 0.00 C ATOM 1630 CG GLU A 111 -7.174 -0.113 7.071 1.00 0.00 C ATOM 1631 CD GLU A 111 -8.010 -0.655 8.215 1.00 0.00 C ATOM 1632 OE1 GLU A 111 -7.528 -1.559 8.929 1.00 0.00 O ATOM 1633 OE2 GLU A 111 -9.152 -0.180 8.392 1.00 0.00 O ATOM 0 H GLU A 111 -5.722 -1.397 3.789 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.025 -2.345 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.236 -0.207 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.429 -1.213 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.119 -0.156 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.419 0.937 6.911 1.00 0.00 H new ATOM 1640 N PHE A 112 -7.629 -4.178 6.078 1.00 0.00 N ATOM 1641 CA PHE A 112 -8.415 -5.375 5.779 1.00 0.00 C ATOM 1642 C PHE A 112 -9.744 -5.363 6.526 1.00 0.00 C ATOM 1643 O PHE A 112 -9.832 -4.842 7.642 1.00 0.00 O ATOM 1644 CB PHE A 112 -7.615 -6.632 6.129 1.00 0.00 C ATOM 1645 CG PHE A 112 -6.469 -6.892 5.188 1.00 0.00 C ATOM 1646 CD1 PHE A 112 -5.214 -6.354 5.428 1.00 0.00 C ATOM 1647 CD2 PHE A 112 -6.654 -7.665 4.055 1.00 0.00 C ATOM 1648 CE1 PHE A 112 -4.170 -6.587 4.555 1.00 0.00 C ATOM 1649 CE2 PHE A 112 -5.611 -7.901 3.181 1.00 0.00 C ATOM 1650 CZ PHE A 112 -4.369 -7.359 3.430 1.00 0.00 C ATOM 0 H PHE A 112 -7.366 -4.087 7.059 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.633 -5.381 4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.228 -6.537 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.284 -7.493 6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.051 -5.747 6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.626 -8.089 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.196 -6.164 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.769 -8.510 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.553 -7.538 2.746 1.00 0.00 H new ATOM 1660 N GLU A 113 -10.778 -5.946 5.894 1.00 0.00 N ATOM 1661 CA GLU A 113 -12.128 -6.022 6.478 1.00 0.00 C ATOM 1662 C GLU A 113 -12.138 -6.915 7.734 1.00 0.00 C ATOM 1663 O GLU A 113 -12.813 -6.601 8.719 1.00 0.00 O ATOM 1664 CB GLU A 113 -13.120 -6.547 5.425 1.00 0.00 C ATOM 1665 CG GLU A 113 -14.589 -6.353 5.785 1.00 0.00 C ATOM 1666 CD GLU A 113 -15.531 -7.020 4.798 1.00 0.00 C ATOM 1667 OE1 GLU A 113 -15.500 -8.265 4.690 1.00 0.00 O ATOM 1668 OE2 GLU A 113 -16.301 -6.294 4.134 1.00 0.00 O ATOM 0 H GLU A 113 -10.702 -6.374 4.971 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.434 -5.021 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.922 -6.046 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.935 -7.610 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.770 -6.756 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.810 -5.286 5.827 1.00 0.00 H new ATOM 1675 N LEU A 114 -11.387 -8.021 7.674 1.00 0.00 N ATOM 1676 CA LEU A 114 -11.279 -8.952 8.794 1.00 0.00 C ATOM 1677 C LEU A 114 -9.911 -8.855 9.442 1.00 0.00 C ATOM 1678 O LEU A 114 -8.899 -8.688 8.754 1.00 0.00 O ATOM 1679 CB LEU A 114 -11.524 -10.399 8.342 1.00 0.00 C ATOM 1680 CG LEU A 114 -12.988 -10.773 8.087 1.00 0.00 C ATOM 1681 CD1 LEU A 114 -13.393 -10.424 6.663 1.00 0.00 C ATOM 1682 CD2 LEU A 114 -13.209 -12.252 8.359 1.00 0.00 C ATOM 0 H LEU A 114 -10.843 -8.291 6.854 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.044 -8.676 9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.958 -10.576 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.123 -11.071 9.101 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.615 -10.197 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.436 -10.698 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.271 -9.353 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.763 -10.971 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -14.253 -12.504 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.571 -12.842 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.961 -12.472 9.397 1.00 0.00 H new ATOM 1694 N ALA A 115 -9.894 -8.959 10.772 1.00 0.00 N ATOM 1695 CA ALA A 115 -8.652 -8.912 11.552 1.00 0.00 C ATOM 1696 C ALA A 115 -7.800 -10.169 11.311 1.00 0.00 C ATOM 1697 O ALA A 115 -6.580 -10.161 11.513 1.00 0.00 O ATOM 1698 CB ALA A 115 -8.970 -8.768 13.033 1.00 0.00 C ATOM 0 H ALA A 115 -10.734 -9.078 11.338 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.077 -8.046 11.225 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.041 -8.734 13.603 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.530 -7.847 13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.566 -9.619 13.362 1.00 0.00 H new ATOM 1704 N GLU A 116 -8.477 -11.242 10.859 1.00 0.00 N ATOM 1705 CA GLU A 116 -7.846 -12.543 10.575 1.00 0.00 C ATOM 1706 C GLU A 116 -6.841 -12.459 9.420 1.00 0.00 C ATOM 1707 O GLU A 116 -5.758 -13.047 9.491 1.00 0.00 O ATOM 1708 CB GLU A 116 -8.924 -13.581 10.231 1.00 0.00 C ATOM 1709 CG GLU A 116 -9.880 -13.886 11.369 1.00 0.00 C ATOM 1710 CD GLU A 116 -10.805 -15.048 11.064 1.00 0.00 C ATOM 1711 OE1 GLU A 116 -11.759 -14.858 10.281 1.00 0.00 O ATOM 1712 OE2 GLU A 116 -10.574 -16.150 11.607 1.00 0.00 O ATOM 0 H GLU A 116 -9.481 -11.230 10.680 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.303 -12.842 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.497 -13.223 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.437 -14.506 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.307 -14.110 12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.477 -12.999 11.584 1.00 0.00 H new ATOM 1719 N ASP A 117 -7.217 -11.726 8.358 1.00 0.00 N ATOM 1720 CA ASP A 117 -6.359 -11.542 7.178 1.00 0.00 C ATOM 1721 C ASP A 117 -5.146 -10.658 7.495 1.00 0.00 C ATOM 1722 O ASP A 117 -4.076 -10.849 6.919 1.00 0.00 O ATOM 1723 CB ASP A 117 -7.165 -10.956 6.007 1.00 0.00 C ATOM 1724 CG ASP A 117 -6.417 -10.958 4.674 1.00 0.00 C ATOM 1725 OD1 ASP A 117 -5.249 -11.399 4.634 1.00 0.00 O ATOM 1726 OD2 ASP A 117 -7.007 -10.515 3.670 1.00 0.00 O ATOM 0 H ASP A 117 -8.116 -11.249 8.294 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.985 -12.523 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.088 -11.524 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.449 -9.932 6.251 1.00 0.00 H new ATOM 1731 N ALA A 118 -5.329 -9.687 8.401 1.00 0.00 N ATOM 1732 CA ALA A 118 -4.248 -8.778 8.802 1.00 0.00 C ATOM 1733 C ALA A 118 -3.094 -9.548 9.446 1.00 0.00 C ATOM 1734 O ALA A 118 -1.924 -9.322 9.115 1.00 0.00 O ATOM 1735 CB ALA A 118 -4.785 -7.725 9.752 1.00 0.00 C ATOM 0 H ALA A 118 -6.218 -9.511 8.870 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.861 -8.285 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.978 -7.054 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.570 -7.154 9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -5.194 -8.210 10.638 1.00 0.00 H new ATOM 1741 N ALA A 119 -3.443 -10.470 10.360 1.00 0.00 N ATOM 1742 CA ALA A 119 -2.459 -11.328 11.025 1.00 0.00 C ATOM 1743 C ALA A 119 -1.911 -12.363 10.039 1.00 0.00 C ATOM 1744 O ALA A 119 -0.767 -12.813 10.159 1.00 0.00 O ATOM 1745 CB ALA A 119 -3.081 -12.014 12.232 1.00 0.00 C ATOM 0 H ALA A 119 -4.406 -10.637 10.653 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.632 -10.709 11.373 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.336 -12.647 12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.430 -11.261 12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.923 -12.626 11.909 1.00 0.00 H new ATOM 1751 N ALA A 120 -2.759 -12.721 9.057 1.00 0.00 N ATOM 1752 CA ALA A 120 -2.411 -13.690 8.009 1.00 0.00 C ATOM 1753 C ALA A 120 -1.419 -13.096 7.005 1.00 0.00 C ATOM 1754 O ALA A 120 -0.433 -13.741 6.642 1.00 0.00 O ATOM 1755 CB ALA A 120 -3.671 -14.162 7.287 1.00 0.00 C ATOM 0 H ALA A 120 -3.703 -12.345 8.971 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.932 -14.544 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.399 -14.880 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.344 -14.636 8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.170 -13.307 6.830 1.00 0.00 H new ATOM 1761 N ALA A 121 -1.691 -11.852 6.573 1.00 0.00 N ATOM 1762 CA ALA A 121 -0.839 -11.135 5.613 1.00 0.00 C ATOM 1763 C ALA A 121 0.574 -10.878 6.158 1.00 0.00 C ATOM 1764 O ALA A 121 1.550 -10.969 5.407 1.00 0.00 O ATOM 1765 CB ALA A 121 -1.500 -9.822 5.204 1.00 0.00 C ATOM 0 H ALA A 121 -2.505 -11.319 6.879 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.729 -11.775 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.861 -9.299 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.465 -10.029 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.648 -9.199 6.086 1.00 0.00 H new ATOM 1771 N ILE A 122 0.678 -10.559 7.463 1.00 0.00 N ATOM 1772 CA ILE A 122 1.984 -10.301 8.105 1.00 0.00 C ATOM 1773 C ILE A 122 2.811 -11.591 8.251 1.00 0.00 C ATOM 1774 O ILE A 122 4.028 -11.575 8.046 1.00 0.00 O ATOM 1775 CB ILE A 122 1.837 -9.581 9.489 1.00 0.00 C ATOM 1776 CG1 ILE A 122 1.132 -8.222 9.305 1.00 0.00 C ATOM 1777 CG2 ILE A 122 3.210 -9.371 10.154 1.00 0.00 C ATOM 1778 CD1 ILE A 122 0.471 -7.668 10.554 1.00 0.00 C ATOM 0 H ILE A 122 -0.121 -10.474 8.091 1.00 0.00 H new ATOM 0 HA ILE A 122 2.522 -9.625 7.440 1.00 0.00 H new ATOM 0 HB ILE A 122 1.236 -10.217 10.139 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.862 -7.497 8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 122 0.376 -8.324 8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.077 -8.869 11.113 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.689 -10.337 10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.837 -8.758 9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 122 0.003 -6.711 10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.287 -8.368 10.905 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.222 -7.527 11.331 1.00 0.00 H new ATOM 1790 N ASP A 123 2.141 -12.693 8.604 1.00 0.00 N ATOM 1791 CA ASP A 123 2.802 -13.993 8.783 1.00 0.00 C ATOM 1792 C ASP A 123 3.184 -14.656 7.447 1.00 0.00 C ATOM 1793 O ASP A 123 4.149 -15.423 7.390 1.00 0.00 O ATOM 1794 CB ASP A 123 1.896 -14.931 9.587 1.00 0.00 C ATOM 1795 CG ASP A 123 2.677 -15.891 10.467 1.00 0.00 C ATOM 1796 OD1 ASP A 123 3.375 -15.416 11.389 1.00 0.00 O ATOM 1797 OD2 ASP A 123 2.592 -17.114 10.234 1.00 0.00 O ATOM 0 H ASP A 123 1.135 -12.711 8.773 1.00 0.00 H new ATOM 0 HA ASP A 123 3.729 -13.808 9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.227 -14.337 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.270 -15.501 8.900 1.00 0.00 H new ATOM 1802 N ASN A 124 2.423 -14.353 6.384 1.00 0.00 N ATOM 1803 CA ASN A 124 2.654 -14.947 5.059 1.00 0.00 C ATOM 1804 C ASN A 124 3.764 -14.266 4.246 1.00 0.00 C ATOM 1805 O ASN A 124 4.649 -14.956 3.731 1.00 0.00 O ATOM 1806 CB ASN A 124 1.353 -14.955 4.244 1.00 0.00 C ATOM 1807 CG ASN A 124 0.312 -15.930 4.776 1.00 0.00 C ATOM 1808 OD1 ASN A 124 0.643 -16.991 5.311 1.00 0.00 O ATOM 1809 ND2 ASN A 124 -0.958 -15.573 4.628 1.00 0.00 N ATOM 0 H ASN A 124 1.641 -13.699 6.417 1.00 0.00 H new ATOM 0 HA ASN A 124 2.994 -15.965 5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 124 0.930 -13.950 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 124 1.583 -15.209 3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -1.702 -16.185 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.190 -14.687 4.180 1.00 0.00 H new ATOM 1816 N MET A 125 3.730 -12.924 4.127 1.00 0.00 N ATOM 1817 CA MET A 125 4.732 -12.204 3.325 1.00 0.00 C ATOM 1818 C MET A 125 5.262 -10.959 4.050 1.00 0.00 C ATOM 1819 O MET A 125 5.113 -9.828 3.570 1.00 0.00 O ATOM 1820 CB MET A 125 4.132 -11.826 1.952 1.00 0.00 C ATOM 1821 CG MET A 125 3.787 -13.024 1.070 1.00 0.00 C ATOM 1822 SD MET A 125 3.136 -12.551 -0.546 1.00 0.00 S ATOM 1823 CE MET A 125 4.645 -12.243 -1.462 1.00 0.00 C ATOM 0 H MET A 125 3.031 -12.327 4.569 1.00 0.00 H new ATOM 0 HA MET A 125 5.582 -12.869 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 125 3.230 -11.235 2.112 1.00 0.00 H new ATOM 0 HB3 MET A 125 4.840 -11.190 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 125 4.680 -13.634 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 125 3.053 -13.646 1.583 1.00 0.00 H new ATOM 0 HE1 MET A 125 4.493 -12.499 -2.511 1.00 0.00 H new ATOM 0 HE2 MET A 125 4.911 -11.189 -1.381 1.00 0.00 H new ATOM 0 HE3 MET A 125 5.450 -12.853 -1.053 1.00 0.00 H new ATOM 1833 N ASN A 126 5.890 -11.177 5.217 1.00 0.00 N ATOM 1834 CA ASN A 126 6.471 -10.085 6.020 1.00 0.00 C ATOM 1835 C ASN A 126 7.701 -9.469 5.328 1.00 0.00 C ATOM 1836 O ASN A 126 7.870 -8.249 5.325 1.00 0.00 O ATOM 1837 CB ASN A 126 6.850 -10.606 7.416 1.00 0.00 C ATOM 1838 CG ASN A 126 6.940 -9.506 8.466 1.00 0.00 C ATOM 1839 OD1 ASN A 126 7.517 -8.443 8.228 1.00 0.00 O ATOM 1840 ND2 ASN A 126 6.369 -9.762 9.638 1.00 0.00 N ATOM 0 H ASN A 126 6.009 -12.103 5.628 1.00 0.00 H new ATOM 0 HA ASN A 126 5.720 -9.301 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.112 -11.343 7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.809 -11.121 7.356 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.398 -9.065 10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.901 -10.655 9.793 1.00 0.00 H new ATOM 1847 N GLU A 127 8.544 -10.336 4.753 1.00 0.00 N ATOM 1848 CA GLU A 127 9.757 -9.918 4.041 1.00 0.00 C ATOM 1849 C GLU A 127 9.952 -10.778 2.792 1.00 0.00 C ATOM 1850 O GLU A 127 10.744 -11.730 2.775 1.00 0.00 O ATOM 1851 CB GLU A 127 10.985 -9.987 4.962 1.00 0.00 C ATOM 1852 CG GLU A 127 11.015 -8.885 6.006 1.00 0.00 C ATOM 1853 CD GLU A 127 12.180 -9.017 6.968 1.00 0.00 C ATOM 1854 OE1 GLU A 127 12.119 -9.894 7.855 1.00 0.00 O ATOM 1855 OE2 GLU A 127 13.151 -8.245 6.832 1.00 0.00 O ATOM 0 H GLU A 127 8.404 -11.346 4.769 1.00 0.00 H new ATOM 0 HA GLU A 127 9.641 -8.880 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 127 11.000 -10.954 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.889 -9.928 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.071 -7.918 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.082 -8.899 6.569 1.00 0.00 H new ATOM 1862 N SER A 128 9.194 -10.429 1.756 1.00 0.00 N ATOM 1863 CA SER A 128 9.228 -11.141 0.475 1.00 0.00 C ATOM 1864 C SER A 128 9.477 -10.180 -0.691 1.00 0.00 C ATOM 1865 O SER A 128 9.354 -8.965 -0.535 1.00 0.00 O ATOM 1866 CB SER A 128 7.910 -11.897 0.274 1.00 0.00 C ATOM 1867 OG SER A 128 6.800 -11.019 0.352 1.00 0.00 O ATOM 0 H SER A 128 8.539 -9.647 1.777 1.00 0.00 H new ATOM 0 HA SER A 128 10.054 -11.852 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.917 -12.394 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.815 -12.676 1.031 1.00 0.00 H new ATOM 0 HG SER A 128 6.818 -10.401 -0.408 1.00 0.00 H new ATOM 1873 N GLU A 129 9.845 -10.737 -1.857 1.00 0.00 N ATOM 1874 CA GLU A 129 10.106 -9.937 -3.052 1.00 0.00 C ATOM 1875 C GLU A 129 8.807 -9.700 -3.835 1.00 0.00 C ATOM 1876 O GLU A 129 8.180 -10.644 -4.330 1.00 0.00 O ATOM 1877 CB GLU A 129 11.150 -10.642 -3.928 1.00 0.00 C ATOM 1878 CG GLU A 129 11.868 -9.720 -4.904 1.00 0.00 C ATOM 1879 CD GLU A 129 12.818 -10.463 -5.823 1.00 0.00 C ATOM 1880 OE1 GLU A 129 13.853 -10.961 -5.332 1.00 0.00 O ATOM 1881 OE2 GLU A 129 12.526 -10.547 -7.035 1.00 0.00 O ATOM 0 H GLU A 129 9.967 -11.741 -1.991 1.00 0.00 H new ATOM 0 HA GLU A 129 10.498 -8.965 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.889 -11.117 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.660 -11.437 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 129 11.130 -9.188 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 129 12.425 -8.968 -4.344 1.00 0.00 H new ATOM 1888 N LEU A 130 8.417 -8.425 -3.921 1.00 0.00 N ATOM 1889 CA LEU A 130 7.202 -8.018 -4.627 1.00 0.00 C ATOM 1890 C LEU A 130 7.496 -6.822 -5.535 1.00 0.00 C ATOM 1891 O LEU A 130 8.093 -5.834 -5.099 1.00 0.00 O ATOM 1892 CB LEU A 130 6.099 -7.680 -3.607 1.00 0.00 C ATOM 1893 CG LEU A 130 4.652 -7.709 -4.129 1.00 0.00 C ATOM 1894 CD1 LEU A 130 4.126 -9.138 -4.211 1.00 0.00 C ATOM 1895 CD2 LEU A 130 3.757 -6.868 -3.231 1.00 0.00 C ATOM 0 H LEU A 130 8.933 -7.650 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 130 6.854 -8.839 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.176 -8.381 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 130 6.298 -6.686 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 130 4.644 -7.289 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.101 -9.128 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.752 -9.718 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 130 4.148 -9.591 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.735 -6.895 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.780 -7.268 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.114 -5.838 -3.223 1.00 0.00 H new ATOM 1907 N PHE A 131 7.066 -6.928 -6.808 1.00 0.00 N ATOM 1908 CA PHE A 131 7.273 -5.885 -7.847 1.00 0.00 C ATOM 1909 C PHE A 131 8.769 -5.685 -8.183 1.00 0.00 C ATOM 1910 O PHE A 131 9.153 -4.679 -8.793 1.00 0.00 O ATOM 1911 CB PHE A 131 6.617 -4.533 -7.468 1.00 0.00 C ATOM 1912 CG PHE A 131 5.122 -4.599 -7.336 1.00 0.00 C ATOM 1913 CD1 PHE A 131 4.308 -4.371 -8.434 1.00 0.00 C ATOM 1914 CD2 PHE A 131 4.533 -4.894 -6.119 1.00 0.00 C ATOM 1915 CE1 PHE A 131 2.934 -4.436 -8.319 1.00 0.00 C ATOM 1916 CE2 PHE A 131 3.158 -4.960 -5.998 1.00 0.00 C ATOM 1917 CZ PHE A 131 2.357 -4.730 -7.099 1.00 0.00 C ATOM 0 H PHE A 131 6.561 -7.744 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 131 6.774 -6.255 -8.742 1.00 0.00 H new ATOM 0 HB2 PHE A 131 7.040 -4.186 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 131 6.873 -3.791 -8.224 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.754 -4.140 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 131 5.155 -5.075 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.310 -4.257 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 131 2.710 -5.191 -5.043 1.00 0.00 H new ATOM 0 HZ PHE A 131 1.282 -4.780 -7.006 1.00 0.00 H new ATOM 1927 N GLY A 132 9.598 -6.667 -7.796 1.00 0.00 N ATOM 1928 CA GLY A 132 11.032 -6.607 -8.063 1.00 0.00 C ATOM 1929 C GLY A 132 11.852 -6.078 -6.893 1.00 0.00 C ATOM 1930 O GLY A 132 13.079 -5.984 -6.992 1.00 0.00 O ATOM 0 H GLY A 132 9.296 -7.506 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.386 -7.605 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.204 -5.972 -8.932 1.00 0.00 H new ATOM 1934 N ARG A 133 11.176 -5.737 -5.791 1.00 0.00 N ATOM 1935 CA ARG A 133 11.841 -5.216 -4.592 1.00 0.00 C ATOM 1936 C ARG A 133 11.408 -5.982 -3.348 1.00 0.00 C ATOM 1937 O ARG A 133 10.331 -6.584 -3.326 1.00 0.00 O ATOM 1938 CB ARG A 133 11.518 -3.729 -4.394 1.00 0.00 C ATOM 1939 CG ARG A 133 12.122 -2.804 -5.439 1.00 0.00 C ATOM 1940 CD ARG A 133 11.857 -1.346 -5.095 1.00 0.00 C ATOM 1941 NE ARG A 133 12.755 -0.851 -4.044 1.00 0.00 N ATOM 1942 CZ ARG A 133 13.317 0.366 -4.031 1.00 0.00 C ATOM 1943 NH1 ARG A 133 13.090 1.241 -5.009 1.00 0.00 N ATOM 1944 NH2 ARG A 133 14.112 0.710 -3.026 1.00 0.00 N ATOM 0 H ARG A 133 10.163 -5.813 -5.705 1.00 0.00 H new ATOM 0 HA ARG A 133 12.914 -5.342 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.435 -3.602 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.871 -3.422 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.196 -2.976 -5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.702 -3.032 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.977 -0.736 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 133 10.823 -1.234 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 133 12.966 -1.478 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.479 0.990 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.527 2.162 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.292 0.050 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.543 1.634 -3.010 1.00 0.00 H new ATOM 1958 N THR A 134 12.254 -5.951 -2.307 1.00 0.00 N ATOM 1959 CA THR A 134 11.953 -6.615 -1.033 1.00 0.00 C ATOM 1960 C THR A 134 10.966 -5.757 -0.238 1.00 0.00 C ATOM 1961 O THR A 134 11.197 -4.559 -0.047 1.00 0.00 O ATOM 1962 CB THR A 134 13.234 -6.850 -0.192 1.00 0.00 C ATOM 1963 OG1 THR A 134 14.355 -7.095 -1.051 1.00 0.00 O ATOM 1964 CG2 THR A 134 13.066 -8.039 0.752 1.00 0.00 C ATOM 0 H THR A 134 13.154 -5.471 -2.325 1.00 0.00 H new ATOM 0 HA THR A 134 11.516 -7.589 -1.252 1.00 0.00 H new ATOM 0 HB THR A 134 13.408 -5.950 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.158 -7.240 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.981 -8.178 1.328 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.235 -7.850 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.862 -8.939 0.171 1.00 0.00 H new ATOM 1972 N ILE A 135 9.876 -6.376 0.220 1.00 0.00 N ATOM 1973 CA ILE A 135 8.843 -5.653 0.966 1.00 0.00 C ATOM 1974 C ILE A 135 8.772 -6.094 2.426 1.00 0.00 C ATOM 1975 O ILE A 135 9.048 -7.249 2.758 1.00 0.00 O ATOM 1976 CB ILE A 135 7.433 -5.769 0.304 1.00 0.00 C ATOM 1977 CG1 ILE A 135 7.011 -7.242 0.093 1.00 0.00 C ATOM 1978 CG2 ILE A 135 7.410 -5.005 -1.021 1.00 0.00 C ATOM 1979 CD1 ILE A 135 5.535 -7.504 0.333 1.00 0.00 C ATOM 0 H ILE A 135 9.686 -7.370 0.089 1.00 0.00 H new ATOM 0 HA ILE A 135 9.142 -4.605 0.938 1.00 0.00 H new ATOM 0 HB ILE A 135 6.709 -5.323 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.261 -7.538 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 135 7.595 -7.875 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 135 6.423 -5.092 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.634 -3.954 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 135 8.157 -5.424 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 135 5.321 -8.559 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.281 -7.242 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.942 -6.899 -0.353 1.00 0.00 H new ATOM 1991 N ARG A 136 8.395 -5.142 3.277 1.00 0.00 N ATOM 1992 CA ARG A 136 8.262 -5.358 4.706 1.00 0.00 C ATOM 1993 C ARG A 136 6.834 -5.034 5.141 1.00 0.00 C ATOM 1994 O ARG A 136 6.316 -3.958 4.822 1.00 0.00 O ATOM 1995 CB ARG A 136 9.275 -4.461 5.440 1.00 0.00 C ATOM 1996 CG ARG A 136 9.309 -4.646 6.950 1.00 0.00 C ATOM 1997 CD ARG A 136 10.493 -3.931 7.587 1.00 0.00 C ATOM 1998 NE ARG A 136 10.312 -2.473 7.618 1.00 0.00 N ATOM 1999 CZ ARG A 136 10.423 -1.709 8.715 1.00 0.00 C ATOM 2000 NH1 ARG A 136 10.720 -2.240 9.900 1.00 0.00 N ATOM 2001 NH2 ARG A 136 10.235 -0.399 8.622 1.00 0.00 N ATOM 0 H ARG A 136 8.172 -4.190 2.985 1.00 0.00 H new ATOM 0 HA ARG A 136 8.466 -6.400 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 136 10.270 -4.657 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 136 9.043 -3.419 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 136 8.382 -4.268 7.382 1.00 0.00 H new ATOM 0 HG3 ARG A 136 9.359 -5.709 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 136 10.633 -4.299 8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 136 11.401 -4.171 7.033 1.00 0.00 H new ATOM 0 HE ARG A 136 10.085 -2.007 6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 136 10.868 -3.246 9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 136 10.800 -1.641 10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 136 10.008 0.021 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 136 10.318 0.188 9.452 1.00 0.00 H new ATOM 2015 N VAL A 137 6.205 -5.966 5.864 1.00 0.00 N ATOM 2016 CA VAL A 137 4.841 -5.754 6.347 1.00 0.00 C ATOM 2017 C VAL A 137 4.765 -6.007 7.859 1.00 0.00 C ATOM 2018 O VAL A 137 5.300 -6.999 8.364 1.00 0.00 O ATOM 2019 CB VAL A 137 3.759 -6.596 5.561 1.00 0.00 C ATOM 2020 CG1 VAL A 137 4.222 -6.982 4.158 1.00 0.00 C ATOM 2021 CG2 VAL A 137 3.323 -7.842 6.307 1.00 0.00 C ATOM 0 H VAL A 137 6.614 -6.863 6.124 1.00 0.00 H new ATOM 0 HA VAL A 137 4.595 -4.710 6.152 1.00 0.00 H new ATOM 0 HB VAL A 137 2.900 -5.931 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.441 -7.559 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.428 -6.080 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.129 -7.583 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.580 -8.378 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.186 -8.486 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.890 -7.559 7.266 1.00 0.00 H new ATOM 2031 N ASN A 138 4.115 -5.076 8.565 1.00 0.00 N ATOM 2032 CA ASN A 138 3.933 -5.148 10.022 1.00 0.00 C ATOM 2033 C ASN A 138 2.728 -4.305 10.436 1.00 0.00 C ATOM 2034 O ASN A 138 2.187 -3.563 9.623 1.00 0.00 O ATOM 2035 CB ASN A 138 5.191 -4.666 10.764 1.00 0.00 C ATOM 2036 CG ASN A 138 6.106 -5.811 11.149 1.00 0.00 C ATOM 2037 OD1 ASN A 138 5.716 -6.706 11.899 1.00 0.00 O ATOM 2038 ND2 ASN A 138 7.328 -5.787 10.639 1.00 0.00 N ATOM 0 H ASN A 138 3.698 -4.247 8.142 1.00 0.00 H new ATOM 0 HA ASN A 138 3.759 -6.189 10.293 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.736 -3.965 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 138 4.895 -4.123 11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 138 7.989 -6.531 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.608 -5.025 10.021 1.00 0.00 H new ATOM 2045 N LEU A 139 2.313 -4.413 11.704 1.00 0.00 N ATOM 2046 CA LEU A 139 1.165 -3.648 12.210 1.00 0.00 C ATOM 2047 C LEU A 139 1.515 -2.160 12.358 1.00 0.00 C ATOM 2048 O LEU A 139 2.545 -1.810 12.941 1.00 0.00 O ATOM 2049 CB LEU A 139 0.698 -4.217 13.559 1.00 0.00 C ATOM 2050 CG LEU A 139 -0.744 -3.870 13.964 1.00 0.00 C ATOM 2051 CD1 LEU A 139 -1.351 -5.002 14.772 1.00 0.00 C ATOM 2052 CD2 LEU A 139 -0.794 -2.570 14.757 1.00 0.00 C ATOM 0 H LEU A 139 2.752 -5.020 12.396 1.00 0.00 H new ATOM 0 HA LEU A 139 0.355 -3.738 11.486 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.797 -5.302 13.529 1.00 0.00 H new ATOM 0 HB3 LEU A 139 1.371 -3.857 14.337 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.327 -3.733 13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.372 -4.742 15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.359 -5.913 14.173 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.758 -5.165 15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.826 -2.350 15.030 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.194 -2.672 15.661 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -0.398 -1.757 14.148 1.00 0.00 H new ATOM 2064 N ALA A 140 0.638 -1.303 11.819 1.00 0.00 N ATOM 2065 CA ALA A 140 0.825 0.148 11.868 1.00 0.00 C ATOM 2066 C ALA A 140 0.073 0.761 13.046 1.00 0.00 C ATOM 2067 CB ALA A 140 0.365 0.781 10.560 1.00 0.00 C ATOM 0 H ALA A 140 -0.214 -1.596 11.341 1.00 0.00 H new ATOM 0 HA ALA A 140 1.887 0.349 12.006 1.00 0.00 H new ATOM 0 HB1 ALA A 140 0.509 1.860 10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.948 0.374 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.691 0.562 10.402 1.00 0.00 H new