USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 41 THR OG1 : rot 180:sc= -0.356 USER MOD Set 1.2: P 44 GLN : amide:sc= 0.0167 K(o=-0.34,f=-5.4!) USER MOD Set 2.1: P 9 THR OG1 : rot 180:sc= -0.159 USER MOD Set 2.2: P 12 GLN : amide:sc= 1.35 K(o=1.2,f=-5.7!) USER MOD Single : P 7 THR OG1 : rot 180:sc= 0 USER MOD Single : P 8 TYR OH : rot 164:sc= 0.105 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 13 THR OG1 : rot 80:sc= 0.745 USER MOD Single : P 18 LYS NZ :NH3+ 167:sc= 0.971 (180deg=0.641) USER MOD Single : P 21 HIS : no HE2:sc= 0.957 K(o=0.96,f=-2.9!) USER MOD Single : P 23 ASN : amide:sc= 0.44 X(o=0.44,f=0) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0 USER MOD Single : P 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 39 SER OG : rot 180:sc= 0 USER MOD Single : P 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 GLN : amide:sc= -0.923 K(o=-0.92,f=-3.1!) USER MOD Single : P 51 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : P 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 -0.913 9.763 10.722 1.00 2.50 N ATOM 1027 CA THR P 7 -1.736 8.929 11.580 1.00 2.83 C ATOM 1028 C THR P 7 -3.197 9.194 11.221 1.00 2.79 C ATOM 1029 O THR P 7 -3.653 10.343 11.132 1.00 3.03 O ATOM 1030 CB THR P 7 -1.377 9.099 13.062 1.00 3.42 C ATOM 1031 OG1 THR P 7 -2.079 8.177 13.874 1.00 5.07 O ATOM 1032 CG2 THR P 7 -1.691 10.497 13.586 1.00 3.86 C ATOM 0 HA THR P 7 -1.544 7.870 11.407 1.00 2.83 H new ATOM 0 HB THR P 7 -0.303 8.922 13.118 1.00 3.42 H new ATOM 0 HG1 THR P 7 -1.827 8.309 14.812 1.00 5.07 H new ATOM 0 HG21 THR P 7 -1.417 10.561 14.639 1.00 3.86 H new ATOM 0 HG22 THR P 7 -1.124 11.234 13.018 1.00 3.86 H new ATOM 0 HG23 THR P 7 -2.757 10.696 13.476 1.00 3.86 H new ATOM 1040 N TYR P 8 -3.905 8.113 10.930 1.00 2.69 N ATOM 1041 CA TYR P 8 -5.337 8.093 10.710 1.00 2.78 C ATOM 1042 C TYR P 8 -5.943 8.187 12.110 1.00 3.06 C ATOM 1043 O TYR P 8 -5.415 7.573 13.039 1.00 3.19 O ATOM 1044 CB TYR P 8 -5.732 6.818 9.950 1.00 2.66 C ATOM 1045 CG TYR P 8 -5.259 6.744 8.500 1.00 2.34 C ATOM 1046 CD1 TYR P 8 -3.887 6.669 8.186 1.00 2.27 C ATOM 1047 CD2 TYR P 8 -6.201 6.603 7.464 1.00 3.23 C ATOM 1048 CE1 TYR P 8 -3.467 6.531 6.851 1.00 2.21 C ATOM 1049 CE2 TYR P 8 -5.776 6.356 6.147 1.00 3.07 C ATOM 1050 CZ TYR P 8 -4.409 6.328 5.830 1.00 2.04 C ATOM 1051 OH TYR P 8 -4.022 6.053 4.550 1.00 2.08 O ATOM 0 H TYR P 8 -3.478 7.191 10.838 1.00 2.69 H new ATOM 0 HA TYR P 8 -5.700 8.912 10.089 1.00 2.78 H new ATOM 0 HB2 TYR P 8 -5.334 5.957 10.488 1.00 2.66 H new ATOM 0 HB3 TYR P 8 -6.818 6.729 9.965 1.00 2.66 H new ATOM 0 HD1 TYR P 8 -3.153 6.718 8.977 1.00 2.27 H new ATOM 0 HD2 TYR P 8 -7.256 6.685 7.682 1.00 3.23 H new ATOM 0 HE1 TYR P 8 -2.415 6.581 6.610 1.00 2.21 H new ATOM 0 HE2 TYR P 8 -6.508 6.186 5.372 1.00 3.07 H new ATOM 0 HH TYR P 8 -4.784 5.696 4.048 1.00 2.08 H new ATOM 1061 N THR P 9 -6.953 9.030 12.315 1.00 3.15 N ATOM 1062 CA THR P 9 -7.430 9.281 13.664 1.00 3.22 C ATOM 1063 C THR P 9 -8.076 8.006 14.210 1.00 3.09 C ATOM 1064 O THR P 9 -8.491 7.151 13.422 1.00 3.35 O ATOM 1065 CB THR P 9 -8.395 10.478 13.686 1.00 3.38 C ATOM 1066 OG1 THR P 9 -9.565 10.180 12.953 1.00 3.42 O ATOM 1067 CG2 THR P 9 -7.751 11.730 13.080 1.00 3.88 C ATOM 0 H THR P 9 -7.444 9.538 11.580 1.00 3.15 H new ATOM 0 HA THR P 9 -6.593 9.545 14.311 1.00 3.22 H new ATOM 0 HB THR P 9 -8.642 10.672 14.730 1.00 3.38 H new ATOM 0 HG1 THR P 9 -10.171 10.950 12.977 1.00 3.42 H new ATOM 0 HG21 THR P 9 -8.461 12.556 13.112 1.00 3.88 H new ATOM 0 HG22 THR P 9 -6.861 11.994 13.651 1.00 3.88 H new ATOM 0 HG23 THR P 9 -7.472 11.531 12.045 1.00 3.88 H new ATOM 1075 N ARG P 10 -8.200 7.864 15.531 1.00 2.96 N ATOM 1076 CA ARG P 10 -8.940 6.735 16.082 1.00 2.94 C ATOM 1077 C ARG P 10 -10.332 6.669 15.466 1.00 2.88 C ATOM 1078 O ARG P 10 -10.725 5.614 14.993 1.00 2.72 O ATOM 1079 CB ARG P 10 -8.969 6.690 17.617 1.00 3.17 C ATOM 1080 CG ARG P 10 -9.893 7.667 18.360 1.00 4.99 C ATOM 1081 CD ARG P 10 -9.389 9.111 18.298 1.00 6.58 C ATOM 1082 NE ARG P 10 -8.056 9.249 18.886 1.00 7.22 N ATOM 1083 CZ ARG P 10 -7.750 9.168 20.185 1.00 8.15 C ATOM 1084 NH1 ARG P 10 -8.711 9.121 21.109 1.00 8.72 N ATOM 1085 NH2 ARG P 10 -6.469 9.124 20.548 1.00 9.01 N ATOM 0 H ARG P 10 -7.807 8.502 16.223 1.00 2.96 H new ATOM 0 HA ARG P 10 -8.394 5.834 15.803 1.00 2.94 H new ATOM 0 HB2 ARG P 10 -9.247 5.679 17.914 1.00 3.17 H new ATOM 0 HB3 ARG P 10 -7.953 6.858 17.973 1.00 3.17 H new ATOM 0 HG2 ARG P 10 -10.893 7.616 17.929 1.00 4.99 H new ATOM 0 HG3 ARG P 10 -9.979 7.360 19.402 1.00 4.99 H new ATOM 0 HD2 ARG P 10 -9.364 9.443 17.260 1.00 6.58 H new ATOM 0 HD3 ARG P 10 -10.087 9.762 18.824 1.00 6.58 H new ATOM 0 HE ARG P 10 -7.285 9.424 18.242 1.00 7.22 H new ATOM 0 HH11 ARG P 10 -9.691 9.147 20.827 1.00 8.72 H new ATOM 0 HH12 ARG P 10 -8.466 9.059 22.097 1.00 8.72 H new ATOM 0 HH21 ARG P 10 -5.737 9.152 19.839 1.00 9.01 H new ATOM 0 HH22 ARG P 10 -6.221 9.062 21.535 1.00 9.01 H new ATOM 1099 N TYR P 11 -11.047 7.793 15.415 1.00 3.05 N ATOM 1100 CA TYR P 11 -12.366 7.887 14.791 1.00 3.07 C ATOM 1101 C TYR P 11 -12.379 7.249 13.397 1.00 2.80 C ATOM 1102 O TYR P 11 -13.270 6.458 13.071 1.00 2.75 O ATOM 1103 CB TYR P 11 -12.810 9.356 14.709 1.00 3.32 C ATOM 1104 CG TYR P 11 -14.136 9.549 13.996 1.00 3.38 C ATOM 1105 CD1 TYR P 11 -15.336 9.226 14.653 1.00 3.56 C ATOM 1106 CD2 TYR P 11 -14.162 9.888 12.630 1.00 3.50 C ATOM 1107 CE1 TYR P 11 -16.539 9.158 13.930 1.00 3.63 C ATOM 1108 CE2 TYR P 11 -15.362 9.798 11.904 1.00 3.58 C ATOM 1109 CZ TYR P 11 -16.543 9.390 12.545 1.00 3.54 C ATOM 1110 OH TYR P 11 -17.677 9.159 11.821 1.00 3.71 O ATOM 0 H TYR P 11 -10.722 8.675 15.811 1.00 3.05 H new ATOM 0 HA TYR P 11 -13.069 7.334 15.414 1.00 3.07 H new ATOM 0 HB2 TYR P 11 -12.887 9.761 15.718 1.00 3.32 H new ATOM 0 HB3 TYR P 11 -12.042 9.931 14.192 1.00 3.32 H new ATOM 0 HD1 TYR P 11 -15.333 9.030 15.715 1.00 3.56 H new ATOM 0 HD2 TYR P 11 -13.258 10.218 12.139 1.00 3.50 H new ATOM 0 HE1 TYR P 11 -17.462 8.927 14.440 1.00 3.63 H new ATOM 0 HE2 TYR P 11 -15.376 10.043 10.852 1.00 3.58 H new ATOM 0 HH TYR P 11 -17.512 9.370 10.878 1.00 3.71 H new ATOM 1120 N GLN P 12 -11.408 7.624 12.563 1.00 2.67 N ATOM 1121 CA GLN P 12 -11.297 7.113 11.207 1.00 2.45 C ATOM 1122 C GLN P 12 -11.013 5.610 11.232 1.00 2.20 C ATOM 1123 O GLN P 12 -11.710 4.836 10.588 1.00 2.22 O ATOM 1124 CB GLN P 12 -10.211 7.893 10.454 1.00 2.44 C ATOM 1125 CG GLN P 12 -10.648 9.349 10.216 1.00 2.87 C ATOM 1126 CD GLN P 12 -9.514 10.262 9.748 1.00 2.89 C ATOM 1127 OE1 GLN P 12 -8.333 10.019 10.004 1.00 3.19 O ATOM 1128 NE2 GLN P 12 -9.844 11.327 9.029 1.00 3.19 N ATOM 0 H GLN P 12 -10.679 8.291 12.814 1.00 2.67 H new ATOM 0 HA GLN P 12 -12.239 7.254 10.678 1.00 2.45 H new ATOM 0 HB2 GLN P 12 -9.283 7.876 11.025 1.00 2.44 H new ATOM 0 HB3 GLN P 12 -10.006 7.410 9.499 1.00 2.44 H new ATOM 0 HG2 GLN P 12 -11.445 9.363 9.472 1.00 2.87 H new ATOM 0 HG3 GLN P 12 -11.067 9.749 11.139 1.00 2.87 H new ATOM 0 HE21 GLN P 12 -10.824 11.519 8.823 1.00 3.19 H new ATOM 0 HE22 GLN P 12 -9.117 11.954 8.683 1.00 3.19 H new ATOM 1137 N THR P 13 -9.990 5.193 11.969 1.00 2.16 N ATOM 1138 CA THR P 13 -9.605 3.793 12.045 1.00 2.02 C ATOM 1139 C THR P 13 -10.800 2.944 12.512 1.00 2.10 C ATOM 1140 O THR P 13 -11.159 1.977 11.853 1.00 2.12 O ATOM 1141 CB THR P 13 -8.361 3.668 12.945 1.00 2.10 C ATOM 1142 OG1 THR P 13 -7.417 4.671 12.600 1.00 2.22 O ATOM 1143 CG2 THR P 13 -7.671 2.313 12.781 1.00 2.01 C ATOM 0 H THR P 13 -9.407 5.816 12.528 1.00 2.16 H new ATOM 0 HA THR P 13 -9.330 3.406 11.064 1.00 2.02 H new ATOM 0 HB THR P 13 -8.701 3.777 13.975 1.00 2.10 H new ATOM 0 HG1 THR P 13 -7.680 5.522 13.008 1.00 2.22 H new ATOM 0 HG21 THR P 13 -6.799 2.267 13.433 1.00 2.01 H new ATOM 0 HG22 THR P 13 -8.366 1.516 13.047 1.00 2.01 H new ATOM 0 HG23 THR P 13 -7.356 2.188 11.745 1.00 2.01 H new ATOM 1151 N LEU P 14 -11.429 3.330 13.624 1.00 2.22 N ATOM 1152 CA LEU P 14 -12.595 2.701 14.236 1.00 2.40 C ATOM 1153 C LEU P 14 -13.673 2.359 13.214 1.00 2.35 C ATOM 1154 O LEU P 14 -14.218 1.254 13.259 1.00 2.47 O ATOM 1155 CB LEU P 14 -13.196 3.621 15.307 1.00 2.64 C ATOM 1156 CG LEU P 14 -12.468 3.547 16.655 1.00 2.86 C ATOM 1157 CD1 LEU P 14 -12.918 4.718 17.523 1.00 3.22 C ATOM 1158 CD2 LEU P 14 -12.794 2.249 17.405 1.00 3.02 C ATOM 0 H LEU P 14 -11.115 4.143 14.153 1.00 2.22 H new ATOM 0 HA LEU P 14 -12.249 1.771 14.688 1.00 2.40 H new ATOM 0 HB2 LEU P 14 -13.172 4.649 14.946 1.00 2.64 H new ATOM 0 HB3 LEU P 14 -14.244 3.359 15.454 1.00 2.64 H new ATOM 0 HG LEU P 14 -11.396 3.580 16.460 1.00 2.86 H new ATOM 0 HD11 LEU P 14 -12.407 4.676 18.485 1.00 3.22 H new ATOM 0 HD12 LEU P 14 -12.675 5.656 17.024 1.00 3.22 H new ATOM 0 HD13 LEU P 14 -13.995 4.660 17.682 1.00 3.22 H new ATOM 0 HD21 LEU P 14 -12.260 2.234 18.355 1.00 3.02 H new ATOM 0 HD22 LEU P 14 -13.867 2.196 17.591 1.00 3.02 H new ATOM 0 HD23 LEU P 14 -12.488 1.394 16.802 1.00 3.02 H new ATOM 1170 N GLU P 15 -13.994 3.308 12.329 1.00 2.25 N ATOM 1171 CA GLU P 15 -14.923 3.060 11.245 1.00 2.26 C ATOM 1172 C GLU P 15 -14.453 1.819 10.496 1.00 1.98 C ATOM 1173 O GLU P 15 -15.147 0.802 10.418 1.00 2.06 O ATOM 1174 CB GLU P 15 -14.983 4.285 10.314 1.00 2.44 C ATOM 1175 CG GLU P 15 -15.734 4.004 9.010 1.00 2.92 C ATOM 1176 CD GLU P 15 -17.220 3.888 9.277 1.00 3.61 C ATOM 1177 OE1 GLU P 15 -17.915 4.929 9.319 1.00 3.40 O ATOM 1178 OE2 GLU P 15 -17.663 2.758 9.564 1.00 4.89 O ATOM 0 H GLU P 15 -13.617 4.256 12.351 1.00 2.25 H new ATOM 0 HA GLU P 15 -15.929 2.892 11.630 1.00 2.26 H new ATOM 0 HB2 GLU P 15 -15.468 5.109 10.837 1.00 2.44 H new ATOM 0 HB3 GLU P 15 -13.968 4.608 10.081 1.00 2.44 H new ATOM 0 HG2 GLU P 15 -15.547 4.805 8.294 1.00 2.92 H new ATOM 0 HG3 GLU P 15 -15.365 3.082 8.561 1.00 2.92 H new ATOM 1185 N LEU P 16 -13.266 1.971 9.932 1.00 1.83 N ATOM 1186 CA LEU P 16 -12.726 1.160 8.872 1.00 1.73 C ATOM 1187 C LEU P 16 -12.361 -0.246 9.353 1.00 1.62 C ATOM 1188 O LEU P 16 -12.419 -1.191 8.562 1.00 1.52 O ATOM 1189 CB LEU P 16 -11.535 1.921 8.295 1.00 1.75 C ATOM 1190 CG LEU P 16 -11.866 3.267 7.639 1.00 1.80 C ATOM 1191 CD1 LEU P 16 -10.550 4.006 7.366 1.00 1.83 C ATOM 1192 CD2 LEU P 16 -12.631 3.071 6.329 1.00 2.01 C ATOM 0 H LEU P 16 -12.623 2.707 10.224 1.00 1.83 H new ATOM 0 HA LEU P 16 -13.471 0.995 8.094 1.00 1.73 H new ATOM 0 HB2 LEU P 16 -10.815 2.094 9.095 1.00 1.75 H new ATOM 0 HB3 LEU P 16 -11.045 1.287 7.556 1.00 1.75 H new ATOM 0 HG LEU P 16 -12.500 3.846 8.310 1.00 1.80 H new ATOM 0 HD11 LEU P 16 -10.763 4.967 6.899 1.00 1.83 H new ATOM 0 HD12 LEU P 16 -10.022 4.168 8.306 1.00 1.83 H new ATOM 0 HD13 LEU P 16 -9.929 3.408 6.699 1.00 1.83 H new ATOM 0 HD21 LEU P 16 -12.851 4.043 5.887 1.00 2.01 H new ATOM 0 HD22 LEU P 16 -12.024 2.487 5.637 1.00 2.01 H new ATOM 0 HD23 LEU P 16 -13.564 2.543 6.528 1.00 2.01 H new ATOM 1204 N GLU P 17 -12.047 -0.414 10.643 1.00 1.74 N ATOM 1205 CA GLU P 17 -11.944 -1.727 11.261 1.00 1.79 C ATOM 1206 C GLU P 17 -13.197 -2.563 10.975 1.00 1.86 C ATOM 1207 O GLU P 17 -13.107 -3.789 10.892 1.00 1.89 O ATOM 1208 CB GLU P 17 -11.711 -1.616 12.777 1.00 2.06 C ATOM 1209 CG GLU P 17 -10.501 -0.759 13.183 1.00 2.35 C ATOM 1210 CD GLU P 17 -9.762 -1.307 14.385 1.00 2.58 C ATOM 1211 OE1 GLU P 17 -8.994 -2.272 14.192 1.00 2.49 O ATOM 1212 OE2 GLU P 17 -9.975 -0.797 15.508 1.00 3.59 O ATOM 0 H GLU P 17 -11.859 0.359 11.281 1.00 1.74 H new ATOM 0 HA GLU P 17 -11.082 -2.230 10.823 1.00 1.79 H new ATOM 0 HB2 GLU P 17 -12.606 -1.198 13.238 1.00 2.06 H new ATOM 0 HB3 GLU P 17 -11.581 -2.619 13.185 1.00 2.06 H new ATOM 0 HG2 GLU P 17 -9.813 -0.691 12.341 1.00 2.35 H new ATOM 0 HG3 GLU P 17 -10.838 0.254 13.402 1.00 2.35 H new ATOM 1219 N LYS P 18 -14.363 -1.926 10.859 1.00 2.06 N ATOM 1220 CA LYS P 18 -15.574 -2.628 10.471 1.00 2.23 C ATOM 1221 C LYS P 18 -15.612 -2.775 8.951 1.00 2.09 C ATOM 1222 O LYS P 18 -15.823 -3.882 8.458 1.00 2.18 O ATOM 1223 CB LYS P 18 -16.815 -1.891 10.962 1.00 2.54 C ATOM 1224 CG LYS P 18 -16.752 -1.533 12.451 1.00 2.75 C ATOM 1225 CD LYS P 18 -18.107 -0.991 12.928 1.00 3.09 C ATOM 1226 CE LYS P 18 -18.696 0.081 11.998 1.00 4.37 C ATOM 1227 NZ LYS P 18 -17.741 1.161 11.691 1.00 5.02 N ATOM 0 H LYS P 18 -14.488 -0.928 11.029 1.00 2.06 H new ATOM 0 HA LYS P 18 -15.568 -3.616 10.932 1.00 2.23 H new ATOM 0 HB2 LYS P 18 -16.942 -0.978 10.380 1.00 2.54 H new ATOM 0 HB3 LYS P 18 -17.694 -2.510 10.780 1.00 2.54 H new ATOM 0 HG2 LYS P 18 -16.480 -2.414 13.032 1.00 2.75 H new ATOM 0 HG3 LYS P 18 -15.975 -0.788 12.620 1.00 2.75 H new ATOM 0 HD2 LYS P 18 -18.812 -1.818 13.010 1.00 3.09 H new ATOM 0 HD3 LYS P 18 -17.991 -0.571 13.927 1.00 3.09 H new ATOM 0 HE2 LYS P 18 -19.017 -0.388 11.068 1.00 4.37 H new ATOM 0 HE3 LYS P 18 -19.584 0.509 12.462 1.00 4.37 H new ATOM 0 HZ1 LYS P 18 -18.103 1.730 10.900 1.00 5.02 H new ATOM 0 HZ2 LYS P 18 -17.622 1.767 12.528 1.00 5.02 H new ATOM 0 HZ3 LYS P 18 -16.823 0.749 11.429 1.00 5.02 H new ATOM 1241 N GLU P 19 -15.434 -1.669 8.216 1.00 1.95 N ATOM 1242 CA GLU P 19 -15.589 -1.628 6.765 1.00 1.89 C ATOM 1243 C GLU P 19 -14.766 -2.740 6.109 1.00 1.84 C ATOM 1244 O GLU P 19 -15.306 -3.513 5.327 1.00 1.94 O ATOM 1245 CB GLU P 19 -15.223 -0.235 6.214 1.00 1.80 C ATOM 1246 CG GLU P 19 -15.733 0.028 4.784 1.00 2.59 C ATOM 1247 CD GLU P 19 -17.240 0.181 4.665 1.00 2.52 C ATOM 1248 OE1 GLU P 19 -17.878 0.642 5.632 1.00 2.73 O ATOM 1249 OE2 GLU P 19 -17.773 -0.144 3.581 1.00 3.14 O ATOM 0 H GLU P 19 -15.175 -0.770 8.622 1.00 1.95 H new ATOM 0 HA GLU P 19 -16.636 -1.805 6.518 1.00 1.89 H new ATOM 0 HB2 GLU P 19 -15.630 0.526 6.880 1.00 1.80 H new ATOM 0 HB3 GLU P 19 -14.139 -0.124 6.228 1.00 1.80 H new ATOM 0 HG2 GLU P 19 -15.259 0.933 4.404 1.00 2.59 H new ATOM 0 HG3 GLU P 19 -15.413 -0.793 4.142 1.00 2.59 H new ATOM 1256 N PHE P 20 -13.478 -2.850 6.442 1.00 1.73 N ATOM 1257 CA PHE P 20 -12.610 -3.905 5.921 1.00 1.71 C ATOM 1258 C PHE P 20 -13.151 -5.292 6.260 1.00 1.89 C ATOM 1259 O PHE P 20 -13.193 -6.181 5.410 1.00 2.09 O ATOM 1260 CB PHE P 20 -11.194 -3.707 6.465 1.00 1.61 C ATOM 1261 CG PHE P 20 -10.239 -4.876 6.290 1.00 1.38 C ATOM 1262 CD1 PHE P 20 -9.519 -5.028 5.093 1.00 1.63 C ATOM 1263 CD2 PHE P 20 -10.048 -5.798 7.339 1.00 1.78 C ATOM 1264 CE1 PHE P 20 -8.594 -6.078 4.957 1.00 1.45 C ATOM 1265 CE2 PHE P 20 -9.107 -6.834 7.208 1.00 1.71 C ATOM 1266 CZ PHE P 20 -8.359 -6.962 6.026 1.00 1.03 C ATOM 0 H PHE P 20 -13.008 -2.209 7.081 1.00 1.73 H new ATOM 0 HA PHE P 20 -12.584 -3.838 4.833 1.00 1.71 H new ATOM 0 HB2 PHE P 20 -10.759 -2.834 5.979 1.00 1.61 H new ATOM 0 HB3 PHE P 20 -11.264 -3.478 7.528 1.00 1.61 H new ATOM 0 HD1 PHE P 20 -9.676 -4.338 4.277 1.00 1.63 H new ATOM 0 HD2 PHE P 20 -10.627 -5.708 8.246 1.00 1.78 H new ATOM 0 HE1 PHE P 20 -8.061 -6.207 4.027 1.00 1.45 H new ATOM 0 HE2 PHE P 20 -8.959 -7.533 8.018 1.00 1.71 H new ATOM 0 HZ PHE P 20 -7.609 -7.734 5.938 1.00 1.03 H new ATOM 1276 N HIS P 21 -13.566 -5.478 7.511 1.00 1.97 N ATOM 1277 CA HIS P 21 -14.175 -6.720 7.944 1.00 2.15 C ATOM 1278 C HIS P 21 -15.492 -6.989 7.196 1.00 2.18 C ATOM 1279 O HIS P 21 -15.907 -8.140 7.106 1.00 2.21 O ATOM 1280 CB HIS P 21 -14.299 -6.725 9.478 1.00 2.27 C ATOM 1281 CG HIS P 21 -13.029 -7.183 10.156 1.00 3.20 C ATOM 1282 ND1 HIS P 21 -12.082 -6.388 10.761 1.00 4.79 N ATOM 1283 CD2 HIS P 21 -12.541 -8.461 10.146 1.00 3.56 C ATOM 1284 CE1 HIS P 21 -11.042 -7.174 11.091 1.00 5.87 C ATOM 1285 NE2 HIS P 21 -11.262 -8.447 10.710 1.00 5.11 N ATOM 0 H HIS P 21 -13.488 -4.773 8.244 1.00 1.97 H new ATOM 0 HA HIS P 21 -13.534 -7.562 7.681 1.00 2.15 H new ATOM 0 HB2 HIS P 21 -14.551 -5.722 9.823 1.00 2.27 H new ATOM 0 HB3 HIS P 21 -15.121 -7.378 9.771 1.00 2.27 H new ATOM 0 HD1 HIS P 21 -12.156 -5.385 10.929 1.00 4.79 H new ATOM 0 HD2 HIS P 21 -13.056 -9.332 9.767 1.00 3.56 H new ATOM 0 HE1 HIS P 21 -10.150 -6.831 11.594 1.00 5.87 H new ATOM 1293 N PHE P 22 -16.134 -5.960 6.641 1.00 2.28 N ATOM 1294 CA PHE P 22 -17.399 -6.055 5.926 1.00 2.36 C ATOM 1295 C PHE P 22 -17.193 -6.335 4.436 1.00 2.37 C ATOM 1296 O PHE P 22 -17.931 -7.111 3.829 1.00 2.58 O ATOM 1297 CB PHE P 22 -18.145 -4.726 6.108 1.00 2.40 C ATOM 1298 CG PHE P 22 -19.617 -4.765 5.771 1.00 2.80 C ATOM 1299 CD1 PHE P 22 -20.540 -5.206 6.735 1.00 3.24 C ATOM 1300 CD2 PHE P 22 -20.074 -4.260 4.540 1.00 3.58 C ATOM 1301 CE1 PHE P 22 -21.919 -5.096 6.490 1.00 3.70 C ATOM 1302 CE2 PHE P 22 -21.453 -4.168 4.287 1.00 4.05 C ATOM 1303 CZ PHE P 22 -22.375 -4.571 5.269 1.00 3.83 C ATOM 0 H PHE P 22 -15.772 -5.007 6.681 1.00 2.28 H new ATOM 0 HA PHE P 22 -17.975 -6.887 6.331 1.00 2.36 H new ATOM 0 HB2 PHE P 22 -18.034 -4.404 7.143 1.00 2.40 H new ATOM 0 HB3 PHE P 22 -17.666 -3.970 5.486 1.00 2.40 H new ATOM 0 HD1 PHE P 22 -20.189 -5.630 7.664 1.00 3.24 H new ATOM 0 HD2 PHE P 22 -19.365 -3.943 3.790 1.00 3.58 H new ATOM 0 HE1 PHE P 22 -22.628 -5.415 7.240 1.00 3.70 H new ATOM 0 HE2 PHE P 22 -21.804 -3.788 3.339 1.00 4.05 H new ATOM 0 HZ PHE P 22 -23.435 -4.477 5.085 1.00 3.83 H new ATOM 1313 N ASN P 23 -16.256 -5.624 3.813 1.00 2.27 N ATOM 1314 CA ASN P 23 -16.046 -5.588 2.368 1.00 2.28 C ATOM 1315 C ASN P 23 -14.688 -4.965 2.077 1.00 2.16 C ATOM 1316 O ASN P 23 -14.229 -4.114 2.828 1.00 2.34 O ATOM 1317 CB ASN P 23 -17.165 -4.836 1.629 1.00 2.46 C ATOM 1318 CG ASN P 23 -17.240 -3.318 1.837 1.00 2.42 C ATOM 1319 OD1 ASN P 23 -17.740 -2.603 0.972 1.00 2.92 O ATOM 1320 ND2 ASN P 23 -16.799 -2.769 2.962 1.00 2.48 N ATOM 0 H ASN P 23 -15.597 -5.034 4.321 1.00 2.27 H new ATOM 0 HA ASN P 23 -16.070 -6.612 1.996 1.00 2.28 H new ATOM 0 HB2 ASN P 23 -17.053 -5.026 0.562 1.00 2.46 H new ATOM 0 HB3 ASN P 23 -18.119 -5.267 1.931 1.00 2.46 H new ATOM 0 HD21 ASN P 23 -16.877 -1.762 3.103 1.00 2.48 H new ATOM 0 HD22 ASN P 23 -16.382 -3.354 3.686 1.00 2.48 H new ATOM 1327 N ARG P 24 -14.004 -5.418 1.025 1.00 2.22 N ATOM 1328 CA ARG P 24 -12.567 -5.247 0.886 1.00 2.01 C ATOM 1329 C ARG P 24 -12.243 -4.606 -0.468 1.00 2.15 C ATOM 1330 O ARG P 24 -11.670 -3.512 -0.531 1.00 2.25 O ATOM 1331 CB ARG P 24 -11.916 -6.626 1.105 1.00 1.81 C ATOM 1332 CG ARG P 24 -12.296 -7.181 2.492 1.00 1.98 C ATOM 1333 CD ARG P 24 -11.674 -8.542 2.844 1.00 1.93 C ATOM 1334 NE ARG P 24 -12.083 -8.963 4.199 1.00 3.07 N ATOM 1335 CZ ARG P 24 -13.300 -9.397 4.574 1.00 3.88 C ATOM 1336 NH1 ARG P 24 -14.236 -9.704 3.673 1.00 4.02 N ATOM 1337 NH2 ARG P 24 -13.556 -9.523 5.875 1.00 5.33 N ATOM 0 H ARG P 24 -14.437 -5.914 0.246 1.00 2.22 H new ATOM 0 HA ARG P 24 -12.159 -4.562 1.629 1.00 2.01 H new ATOM 0 HB2 ARG P 24 -12.241 -7.317 0.327 1.00 1.81 H new ATOM 0 HB3 ARG P 24 -10.832 -6.542 1.024 1.00 1.81 H new ATOM 0 HG2 ARG P 24 -11.998 -6.456 3.250 1.00 1.98 H new ATOM 0 HG3 ARG P 24 -13.381 -7.270 2.545 1.00 1.98 H new ATOM 0 HD2 ARG P 24 -11.985 -9.290 2.115 1.00 1.93 H new ATOM 0 HD3 ARG P 24 -10.587 -8.477 2.790 1.00 1.93 H new ATOM 0 HE ARG P 24 -11.369 -8.920 4.926 1.00 3.07 H new ATOM 0 HH11 ARG P 24 -14.035 -9.611 2.677 1.00 4.02 H new ATOM 0 HH12 ARG P 24 -15.152 -10.031 3.980 1.00 4.02 H new ATOM 0 HH21 ARG P 24 -12.837 -9.292 6.561 1.00 5.33 H new ATOM 0 HH22 ARG P 24 -14.471 -9.850 6.185 1.00 5.33 H new ATOM 1351 N TYR P 25 -12.655 -5.268 -1.549 1.00 2.35 N ATOM 1352 CA TYR P 25 -12.700 -4.676 -2.876 1.00 2.58 C ATOM 1353 C TYR P 25 -13.864 -3.691 -2.854 1.00 2.61 C ATOM 1354 O TYR P 25 -14.923 -4.039 -2.325 1.00 2.64 O ATOM 1355 CB TYR P 25 -12.955 -5.754 -3.943 1.00 2.70 C ATOM 1356 CG TYR P 25 -11.855 -6.782 -4.130 1.00 2.72 C ATOM 1357 CD1 TYR P 25 -11.634 -7.772 -3.157 1.00 2.92 C ATOM 1358 CD2 TYR P 25 -11.164 -6.855 -5.353 1.00 3.62 C ATOM 1359 CE1 TYR P 25 -10.687 -8.784 -3.377 1.00 3.42 C ATOM 1360 CE2 TYR P 25 -10.260 -7.902 -5.594 1.00 3.82 C ATOM 1361 CZ TYR P 25 -10.001 -8.853 -4.598 1.00 3.45 C ATOM 1362 OH TYR P 25 -9.299 -9.981 -4.905 1.00 3.94 O ATOM 0 H TYR P 25 -12.969 -6.238 -1.523 1.00 2.35 H new ATOM 0 HA TYR P 25 -11.756 -4.190 -3.121 1.00 2.58 H new ATOM 0 HB2 TYR P 25 -13.875 -6.279 -3.687 1.00 2.70 H new ATOM 0 HB3 TYR P 25 -13.126 -5.257 -4.898 1.00 2.70 H new ATOM 0 HD1 TYR P 25 -12.196 -7.754 -2.235 1.00 2.92 H new ATOM 0 HD2 TYR P 25 -11.329 -6.103 -6.110 1.00 3.62 H new ATOM 0 HE1 TYR P 25 -10.486 -9.511 -2.604 1.00 3.42 H new ATOM 0 HE2 TYR P 25 -9.763 -7.975 -6.550 1.00 3.82 H new ATOM 0 HH TYR P 25 -8.880 -9.876 -5.785 1.00 3.94 H new ATOM 1372 N LEU P 26 -13.672 -2.481 -3.373 1.00 2.96 N ATOM 1373 CA LEU P 26 -14.716 -1.471 -3.476 1.00 3.04 C ATOM 1374 C LEU P 26 -15.022 -1.243 -4.961 1.00 3.26 C ATOM 1375 O LEU P 26 -14.160 -1.470 -5.814 1.00 3.57 O ATOM 1376 CB LEU P 26 -14.220 -0.176 -2.812 1.00 2.84 C ATOM 1377 CG LEU P 26 -14.665 -0.009 -1.350 1.00 2.72 C ATOM 1378 CD1 LEU P 26 -14.124 -1.044 -0.368 1.00 2.69 C ATOM 1379 CD2 LEU P 26 -14.191 1.344 -0.830 1.00 2.67 C ATOM 0 H LEU P 26 -12.771 -2.172 -3.739 1.00 2.96 H new ATOM 0 HA LEU P 26 -15.627 -1.793 -2.971 1.00 3.04 H new ATOM 0 HB2 LEU P 26 -13.131 -0.153 -2.854 1.00 2.84 H new ATOM 0 HB3 LEU P 26 -14.579 0.676 -3.389 1.00 2.84 H new ATOM 0 HG LEU P 26 -15.748 -0.123 -1.388 1.00 2.72 H new ATOM 0 HD11 LEU P 26 -14.502 -0.829 0.632 1.00 2.69 H new ATOM 0 HD12 LEU P 26 -14.448 -2.039 -0.673 1.00 2.69 H new ATOM 0 HD13 LEU P 26 -13.035 -1.004 -0.361 1.00 2.69 H new ATOM 0 HD21 LEU P 26 -14.505 1.466 0.207 1.00 2.67 H new ATOM 0 HD22 LEU P 26 -13.104 1.396 -0.888 1.00 2.67 H new ATOM 0 HD23 LEU P 26 -14.625 2.139 -1.436 1.00 2.67 H new ATOM 1391 N THR P 27 -16.229 -0.775 -5.289 1.00 3.24 N ATOM 1392 CA THR P 27 -16.458 -0.100 -6.559 1.00 3.37 C ATOM 1393 C THR P 27 -15.712 1.237 -6.455 1.00 3.23 C ATOM 1394 O THR P 27 -15.710 1.843 -5.383 1.00 3.06 O ATOM 1395 CB THR P 27 -17.970 0.028 -6.861 1.00 3.60 C ATOM 1396 OG1 THR P 27 -18.229 0.089 -8.249 1.00 5.05 O ATOM 1397 CG2 THR P 27 -18.634 1.253 -6.234 1.00 3.63 C ATOM 0 H THR P 27 -17.054 -0.852 -4.694 1.00 3.24 H new ATOM 0 HA THR P 27 -16.076 -0.662 -7.411 1.00 3.37 H new ATOM 0 HB THR P 27 -18.394 -0.872 -6.416 1.00 3.60 H new ATOM 0 HG1 THR P 27 -19.194 0.168 -8.398 1.00 5.05 H new ATOM 0 HG21 THR P 27 -19.692 1.267 -6.495 1.00 3.63 H new ATOM 0 HG22 THR P 27 -18.528 1.210 -5.150 1.00 3.63 H new ATOM 0 HG23 THR P 27 -18.156 2.158 -6.609 1.00 3.63 H new ATOM 1405 N ARG P 28 -15.034 1.689 -7.508 1.00 3.57 N ATOM 1406 CA ARG P 28 -14.119 2.825 -7.452 1.00 3.58 C ATOM 1407 C ARG P 28 -14.680 4.001 -6.640 1.00 3.60 C ATOM 1408 O ARG P 28 -14.092 4.399 -5.634 1.00 3.68 O ATOM 1409 CB ARG P 28 -13.692 3.233 -8.868 1.00 3.93 C ATOM 1410 CG ARG P 28 -12.723 4.417 -8.808 1.00 3.92 C ATOM 1411 CD ARG P 28 -12.040 4.676 -10.152 1.00 4.30 C ATOM 1412 NE ARG P 28 -11.031 5.730 -9.984 1.00 5.13 N ATOM 1413 CZ ARG P 28 -10.610 6.624 -10.889 1.00 5.61 C ATOM 1414 NH1 ARG P 28 -11.131 6.661 -12.115 1.00 5.79 N ATOM 1415 NH2 ARG P 28 -9.650 7.471 -10.514 1.00 6.32 N ATOM 0 H ARG P 28 -15.106 1.271 -8.435 1.00 3.57 H new ATOM 0 HA ARG P 28 -13.227 2.508 -6.912 1.00 3.58 H new ATOM 0 HB2 ARG P 28 -13.217 2.390 -9.369 1.00 3.93 H new ATOM 0 HB3 ARG P 28 -14.569 3.501 -9.457 1.00 3.93 H new ATOM 0 HG2 ARG P 28 -13.264 5.311 -8.500 1.00 3.92 H new ATOM 0 HG3 ARG P 28 -11.965 4.225 -8.049 1.00 3.92 H new ATOM 0 HD2 ARG P 28 -11.572 3.762 -10.518 1.00 4.30 H new ATOM 0 HD3 ARG P 28 -12.777 4.977 -10.897 1.00 4.30 H new ATOM 0 HE ARG P 28 -10.596 5.789 -9.063 1.00 5.13 H new ATOM 0 HH11 ARG P 28 -11.863 6.001 -12.378 1.00 5.79 H new ATOM 0 HH12 ARG P 28 -10.798 7.349 -12.790 1.00 5.79 H new ATOM 0 HH21 ARG P 28 -9.266 7.422 -9.570 1.00 6.32 H new ATOM 0 HH22 ARG P 28 -9.300 8.168 -11.171 1.00 6.32 H new ATOM 1429 N ARG P 29 -15.832 4.546 -7.029 1.00 3.84 N ATOM 1430 CA ARG P 29 -16.402 5.707 -6.355 1.00 3.95 C ATOM 1431 C ARG P 29 -16.664 5.469 -4.870 1.00 3.69 C ATOM 1432 O ARG P 29 -16.748 6.416 -4.093 1.00 3.84 O ATOM 1433 CB ARG P 29 -17.700 6.130 -7.033 1.00 4.33 C ATOM 1434 CG ARG P 29 -17.434 6.741 -8.407 1.00 5.66 C ATOM 1435 CD ARG P 29 -18.754 7.009 -9.132 1.00 5.73 C ATOM 1436 NE ARG P 29 -19.442 8.207 -8.620 1.00 5.69 N ATOM 1437 CZ ARG P 29 -20.406 8.269 -7.689 1.00 5.39 C ATOM 1438 NH1 ARG P 29 -20.852 7.172 -7.073 1.00 5.71 N ATOM 1439 NH2 ARG P 29 -20.899 9.464 -7.373 1.00 5.84 N ATOM 0 H ARG P 29 -16.389 4.199 -7.810 1.00 3.84 H new ATOM 0 HA ARG P 29 -15.658 6.500 -6.432 1.00 3.95 H new ATOM 0 HB2 ARG P 29 -18.357 5.266 -7.138 1.00 4.33 H new ATOM 0 HB3 ARG P 29 -18.222 6.853 -6.406 1.00 4.33 H new ATOM 0 HG2 ARG P 29 -16.876 7.671 -8.297 1.00 5.66 H new ATOM 0 HG3 ARG P 29 -16.816 6.066 -8.999 1.00 5.66 H new ATOM 0 HD2 ARG P 29 -18.562 7.131 -10.198 1.00 5.73 H new ATOM 0 HD3 ARG P 29 -19.408 6.143 -9.023 1.00 5.73 H new ATOM 0 HE ARG P 29 -19.150 9.098 -9.022 1.00 5.69 H new ATOM 0 HH11 ARG P 29 -20.459 6.260 -7.307 1.00 5.71 H new ATOM 0 HH12 ARG P 29 -21.586 7.245 -6.368 1.00 5.71 H new ATOM 0 HH21 ARG P 29 -20.543 10.301 -7.835 1.00 5.84 H new ATOM 0 HH22 ARG P 29 -21.633 9.543 -6.669 1.00 5.84 H new ATOM 1453 N ARG P 30 -16.833 4.232 -4.418 1.00 3.53 N ATOM 1454 CA ARG P 30 -17.032 3.992 -3.000 1.00 3.30 C ATOM 1455 C ARG P 30 -15.772 4.382 -2.224 1.00 2.81 C ATOM 1456 O ARG P 30 -15.887 4.858 -1.097 1.00 2.61 O ATOM 1457 CB ARG P 30 -17.488 2.542 -2.802 1.00 3.46 C ATOM 1458 CG ARG P 30 -17.641 2.079 -1.359 1.00 3.59 C ATOM 1459 CD ARG P 30 -18.732 2.804 -0.583 1.00 3.69 C ATOM 1460 NE ARG P 30 -18.831 2.182 0.738 1.00 3.68 N ATOM 1461 CZ ARG P 30 -19.612 2.598 1.737 1.00 3.85 C ATOM 1462 NH1 ARG P 30 -20.399 3.656 1.545 1.00 4.51 N ATOM 1463 NH2 ARG P 30 -19.567 1.955 2.906 1.00 3.98 N ATOM 0 H ARG P 30 -16.836 3.396 -5.002 1.00 3.53 H new ATOM 0 HA ARG P 30 -17.824 4.620 -2.593 1.00 3.30 H new ATOM 0 HB2 ARG P 30 -18.445 2.411 -3.308 1.00 3.46 H new ATOM 0 HB3 ARG P 30 -16.773 1.886 -3.299 1.00 3.46 H new ATOM 0 HG2 ARG P 30 -17.856 1.010 -1.353 1.00 3.59 H new ATOM 0 HG3 ARG P 30 -16.691 2.216 -0.843 1.00 3.59 H new ATOM 0 HD2 ARG P 30 -18.494 3.864 -0.489 1.00 3.69 H new ATOM 0 HD3 ARG P 30 -19.684 2.736 -1.109 1.00 3.69 H new ATOM 0 HE ARG P 30 -18.253 1.359 0.910 1.00 3.68 H new ATOM 0 HH11 ARG P 30 -20.399 4.135 0.645 1.00 4.51 H new ATOM 0 HH12 ARG P 30 -21.002 3.987 2.298 1.00 4.51 H new ATOM 0 HH21 ARG P 30 -18.942 1.158 3.026 1.00 3.98 H new ATOM 0 HH22 ARG P 30 -20.158 2.261 3.679 1.00 3.98 H new ATOM 1477 N ARG P 31 -14.573 4.244 -2.810 1.00 2.71 N ATOM 1478 CA ARG P 31 -13.358 4.713 -2.150 1.00 2.29 C ATOM 1479 C ARG P 31 -13.537 6.211 -1.881 1.00 2.09 C ATOM 1480 O ARG P 31 -13.334 6.679 -0.765 1.00 1.82 O ATOM 1481 CB ARG P 31 -12.116 4.514 -3.040 1.00 2.52 C ATOM 1482 CG ARG P 31 -11.668 3.061 -3.184 1.00 2.39 C ATOM 1483 CD ARG P 31 -10.798 2.628 -1.999 1.00 1.59 C ATOM 1484 NE ARG P 31 -10.441 1.214 -2.151 1.00 2.23 N ATOM 1485 CZ ARG P 31 -10.613 0.241 -1.248 1.00 3.38 C ATOM 1486 NH1 ARG P 31 -10.596 0.565 0.044 1.00 4.64 N ATOM 1487 NH2 ARG P 31 -10.838 -1.017 -1.641 1.00 4.47 N ATOM 0 H ARG P 31 -14.425 3.818 -3.725 1.00 2.71 H new ATOM 0 HA ARG P 31 -13.204 4.146 -1.232 1.00 2.29 H new ATOM 0 HB2 ARG P 31 -12.326 4.916 -4.031 1.00 2.52 H new ATOM 0 HB3 ARG P 31 -11.292 5.096 -2.628 1.00 2.52 H new ATOM 0 HG2 ARG P 31 -12.542 2.413 -3.252 1.00 2.39 H new ATOM 0 HG3 ARG P 31 -11.109 2.941 -4.112 1.00 2.39 H new ATOM 0 HD2 ARG P 31 -9.897 3.239 -1.952 1.00 1.59 H new ATOM 0 HD3 ARG P 31 -11.336 2.781 -1.063 1.00 1.59 H new ATOM 0 HE ARG P 31 -10.017 0.943 -3.038 1.00 2.23 H new ATOM 0 HH11 ARG P 31 -10.454 1.535 0.325 1.00 4.64 H new ATOM 0 HH12 ARG P 31 -10.725 -0.157 0.753 1.00 4.64 H new ATOM 0 HH21 ARG P 31 -10.880 -1.241 -2.635 1.00 4.47 H new ATOM 0 HH22 ARG P 31 -10.968 -1.753 -0.947 1.00 4.47 H new ATOM 1501 N ILE P 32 -13.937 6.946 -2.923 1.00 2.35 N ATOM 1502 CA ILE P 32 -14.191 8.382 -2.882 1.00 2.29 C ATOM 1503 C ILE P 32 -15.240 8.724 -1.809 1.00 2.31 C ATOM 1504 O ILE P 32 -15.056 9.657 -1.033 1.00 2.23 O ATOM 1505 CB ILE P 32 -14.562 8.863 -4.301 1.00 2.63 C ATOM 1506 CG1 ILE P 32 -13.299 8.911 -5.182 1.00 2.76 C ATOM 1507 CG2 ILE P 32 -15.231 10.243 -4.303 1.00 2.61 C ATOM 1508 CD1 ILE P 32 -13.596 8.611 -6.652 1.00 3.11 C ATOM 0 H ILE P 32 -14.097 6.541 -3.846 1.00 2.35 H new ATOM 0 HA ILE P 32 -13.293 8.923 -2.582 1.00 2.29 H new ATOM 0 HB ILE P 32 -15.282 8.148 -4.700 1.00 2.63 H new ATOM 0 HG12 ILE P 32 -12.841 9.897 -5.101 1.00 2.76 H new ATOM 0 HG13 ILE P 32 -12.572 8.191 -4.808 1.00 2.76 H new ATOM 0 HG21 ILE P 32 -15.470 10.530 -5.327 1.00 2.61 H new ATOM 0 HG22 ILE P 32 -16.147 10.204 -3.714 1.00 2.61 H new ATOM 0 HG23 ILE P 32 -14.552 10.977 -3.869 1.00 2.61 H new ATOM 0 HD11 ILE P 32 -12.671 8.658 -7.227 1.00 3.11 H new ATOM 0 HD12 ILE P 32 -14.027 7.614 -6.740 1.00 3.11 H new ATOM 0 HD13 ILE P 32 -14.301 9.347 -7.038 1.00 3.11 H new ATOM 1520 N GLU P 33 -16.334 7.971 -1.718 1.00 2.51 N ATOM 1521 CA GLU P 33 -17.381 8.275 -0.752 1.00 2.65 C ATOM 1522 C GLU P 33 -16.996 7.966 0.705 1.00 2.52 C ATOM 1523 O GLU P 33 -17.365 8.720 1.610 1.00 2.59 O ATOM 1524 CB GLU P 33 -18.694 7.648 -1.211 1.00 3.06 C ATOM 1525 CG GLU P 33 -19.109 8.282 -2.548 1.00 3.22 C ATOM 1526 CD GLU P 33 -20.598 8.253 -2.801 1.00 3.57 C ATOM 1527 OE1 GLU P 33 -21.204 7.161 -2.678 1.00 3.80 O ATOM 1528 OE2 GLU P 33 -21.122 9.306 -3.216 1.00 4.38 O ATOM 0 H GLU P 33 -16.516 7.152 -2.298 1.00 2.51 H new ATOM 0 HA GLU P 33 -17.524 9.355 -0.730 1.00 2.65 H new ATOM 0 HB2 GLU P 33 -18.577 6.570 -1.325 1.00 3.06 H new ATOM 0 HB3 GLU P 33 -19.470 7.807 -0.462 1.00 3.06 H new ATOM 0 HG2 GLU P 33 -18.766 9.316 -2.571 1.00 3.22 H new ATOM 0 HG3 GLU P 33 -18.602 7.760 -3.360 1.00 3.22 H new ATOM 1535 N ILE P 34 -16.238 6.896 0.949 1.00 2.40 N ATOM 1536 CA ILE P 34 -15.600 6.685 2.248 1.00 2.25 C ATOM 1537 C ILE P 34 -14.706 7.889 2.557 1.00 2.04 C ATOM 1538 O ILE P 34 -14.791 8.500 3.618 1.00 2.14 O ATOM 1539 CB ILE P 34 -14.775 5.390 2.232 1.00 2.08 C ATOM 1540 CG1 ILE P 34 -15.623 4.133 1.983 1.00 2.56 C ATOM 1541 CG2 ILE P 34 -13.940 5.246 3.516 1.00 1.83 C ATOM 1542 CD1 ILE P 34 -16.220 3.561 3.262 1.00 2.35 C ATOM 0 H ILE P 34 -16.051 6.163 0.265 1.00 2.40 H new ATOM 0 HA ILE P 34 -16.361 6.588 3.022 1.00 2.25 H new ATOM 0 HB ILE P 34 -14.096 5.475 1.383 1.00 2.08 H new ATOM 0 HG12 ILE P 34 -16.427 4.375 1.288 1.00 2.56 H new ATOM 0 HG13 ILE P 34 -15.006 3.373 1.504 1.00 2.56 H new ATOM 0 HG21 ILE P 34 -13.367 4.320 3.475 1.00 1.83 H new ATOM 0 HG22 ILE P 34 -13.258 6.091 3.603 1.00 1.83 H new ATOM 0 HG23 ILE P 34 -14.603 5.225 4.381 1.00 1.83 H new ATOM 0 HD11 ILE P 34 -16.808 2.675 3.024 1.00 2.35 H new ATOM 0 HD12 ILE P 34 -15.418 3.290 3.949 1.00 2.35 H new ATOM 0 HD13 ILE P 34 -16.862 4.308 3.730 1.00 2.35 H new ATOM 1554 N ALA P 35 -13.827 8.196 1.606 1.00 1.81 N ATOM 1555 CA ALA P 35 -12.871 9.293 1.691 1.00 1.65 C ATOM 1556 C ALA P 35 -13.577 10.591 2.097 1.00 1.86 C ATOM 1557 O ALA P 35 -13.132 11.264 3.024 1.00 1.93 O ATOM 1558 CB ALA P 35 -12.075 9.418 0.381 1.00 1.50 C ATOM 0 H ALA P 35 -13.760 7.674 0.732 1.00 1.81 H new ATOM 0 HA ALA P 35 -12.144 9.080 2.474 1.00 1.65 H new ATOM 0 HB1 ALA P 35 -11.366 10.242 0.463 1.00 1.50 H new ATOM 0 HB2 ALA P 35 -11.533 8.491 0.195 1.00 1.50 H new ATOM 0 HB3 ALA P 35 -12.761 9.610 -0.444 1.00 1.50 H new ATOM 1564 N HIS P 36 -14.685 10.928 1.432 1.00 2.03 N ATOM 1565 CA HIS P 36 -15.504 12.077 1.790 1.00 2.26 C ATOM 1566 C HIS P 36 -15.962 11.969 3.241 1.00 2.37 C ATOM 1567 O HIS P 36 -15.751 12.895 4.023 1.00 2.41 O ATOM 1568 CB HIS P 36 -16.720 12.214 0.862 1.00 2.43 C ATOM 1569 CG HIS P 36 -16.507 13.198 -0.256 1.00 2.36 C ATOM 1570 ND1 HIS P 36 -16.584 14.571 -0.155 1.00 2.34 N ATOM 1571 CD2 HIS P 36 -16.192 12.893 -1.550 1.00 2.63 C ATOM 1572 CE1 HIS P 36 -16.315 15.080 -1.369 1.00 2.52 C ATOM 1573 NE2 HIS P 36 -16.041 14.096 -2.247 1.00 2.65 N ATOM 0 H HIS P 36 -15.036 10.407 0.629 1.00 2.03 H new ATOM 0 HA HIS P 36 -14.891 12.970 1.673 1.00 2.26 H new ATOM 0 HB2 HIS P 36 -16.956 11.238 0.438 1.00 2.43 H new ATOM 0 HB3 HIS P 36 -17.584 12.524 1.450 1.00 2.43 H new ATOM 0 HD2 HIS P 36 -16.080 11.901 -1.961 1.00 2.63 H new ATOM 0 HE1 HIS P 36 -16.318 16.133 -1.608 1.00 2.52 H new ATOM 0 HE2 HIS P 36 -15.776 14.206 -3.226 1.00 2.65 H new ATOM 1581 N ALA P 37 -16.615 10.863 3.601 1.00 2.45 N ATOM 1582 CA ALA P 37 -17.171 10.673 4.936 1.00 2.58 C ATOM 1583 C ALA P 37 -16.117 10.944 6.011 1.00 2.53 C ATOM 1584 O ALA P 37 -16.300 11.792 6.885 1.00 2.66 O ATOM 1585 CB ALA P 37 -17.741 9.257 5.062 1.00 2.62 C ATOM 0 H ALA P 37 -16.772 10.075 2.973 1.00 2.45 H new ATOM 0 HA ALA P 37 -17.980 11.388 5.087 1.00 2.58 H new ATOM 0 HB1 ALA P 37 -18.155 9.119 6.061 1.00 2.62 H new ATOM 0 HB2 ALA P 37 -18.527 9.114 4.320 1.00 2.62 H new ATOM 0 HB3 ALA P 37 -16.947 8.529 4.895 1.00 2.62 H new ATOM 1591 N LEU P 38 -14.987 10.251 5.924 1.00 2.36 N ATOM 1592 CA LEU P 38 -13.921 10.346 6.909 1.00 2.34 C ATOM 1593 C LEU P 38 -13.076 11.613 6.760 1.00 2.22 C ATOM 1594 O LEU P 38 -12.304 11.935 7.667 1.00 2.26 O ATOM 1595 CB LEU P 38 -13.053 9.090 6.811 1.00 2.22 C ATOM 1596 CG LEU P 38 -13.826 7.826 7.217 1.00 2.31 C ATOM 1597 CD1 LEU P 38 -12.860 6.646 7.198 1.00 2.19 C ATOM 1598 CD2 LEU P 38 -14.452 7.938 8.615 1.00 2.56 C ATOM 0 H LEU P 38 -14.786 9.604 5.162 1.00 2.36 H new ATOM 0 HA LEU P 38 -14.377 10.415 7.897 1.00 2.34 H new ATOM 0 HB2 LEU P 38 -12.688 8.980 5.790 1.00 2.22 H new ATOM 0 HB3 LEU P 38 -12.178 9.202 7.452 1.00 2.22 H new ATOM 0 HG LEU P 38 -14.642 7.689 6.508 1.00 2.31 H new ATOM 0 HD11 LEU P 38 -13.390 5.737 7.484 1.00 2.19 H new ATOM 0 HD12 LEU P 38 -12.451 6.527 6.195 1.00 2.19 H new ATOM 0 HD13 LEU P 38 -12.048 6.829 7.902 1.00 2.19 H new ATOM 0 HD21 LEU P 38 -14.986 7.017 8.850 1.00 2.56 H new ATOM 0 HD22 LEU P 38 -13.667 8.101 9.353 1.00 2.56 H new ATOM 0 HD23 LEU P 38 -15.149 8.776 8.636 1.00 2.56 H new ATOM 1610 N SER P 39 -13.208 12.316 5.638 1.00 2.11 N ATOM 1611 CA SER P 39 -12.389 13.463 5.280 1.00 2.00 C ATOM 1612 C SER P 39 -10.930 13.040 5.086 1.00 1.85 C ATOM 1613 O SER P 39 -10.009 13.783 5.424 1.00 1.85 O ATOM 1614 CB SER P 39 -12.546 14.612 6.290 1.00 2.11 C ATOM 1615 OG SER P 39 -13.859 14.669 6.831 1.00 2.30 O ATOM 0 H SER P 39 -13.911 12.093 4.933 1.00 2.11 H new ATOM 0 HA SER P 39 -12.742 13.854 4.326 1.00 2.00 H new ATOM 0 HB2 SER P 39 -11.826 14.485 7.098 1.00 2.11 H new ATOM 0 HB3 SER P 39 -12.314 15.558 5.802 1.00 2.11 H new ATOM 0 HG SER P 39 -13.918 15.410 7.469 1.00 2.30 H new ATOM 1621 N LEU P 40 -10.729 11.848 4.531 1.00 1.80 N ATOM 1622 CA LEU P 40 -9.433 11.327 4.130 1.00 1.67 C ATOM 1623 C LEU P 40 -9.345 11.449 2.613 1.00 1.53 C ATOM 1624 O LEU P 40 -10.326 11.800 1.956 1.00 1.74 O ATOM 1625 CB LEU P 40 -9.305 9.866 4.584 1.00 1.70 C ATOM 1626 CG LEU P 40 -9.122 9.721 6.104 1.00 1.77 C ATOM 1627 CD1 LEU P 40 -9.253 8.249 6.500 1.00 1.92 C ATOM 1628 CD2 LEU P 40 -7.741 10.213 6.560 1.00 1.83 C ATOM 0 H LEU P 40 -11.493 11.199 4.343 1.00 1.80 H new ATOM 0 HA LEU P 40 -8.617 11.885 4.590 1.00 1.67 H new ATOM 0 HB2 LEU P 40 -10.195 9.317 4.277 1.00 1.70 H new ATOM 0 HB3 LEU P 40 -8.457 9.407 4.076 1.00 1.70 H new ATOM 0 HG LEU P 40 -9.891 10.327 6.583 1.00 1.77 H new ATOM 0 HD11 LEU P 40 -9.123 8.149 7.578 1.00 1.92 H new ATOM 0 HD12 LEU P 40 -10.240 7.883 6.218 1.00 1.92 H new ATOM 0 HD13 LEU P 40 -8.489 7.665 5.987 1.00 1.92 H new ATOM 0 HD21 LEU P 40 -7.651 10.094 7.640 1.00 1.83 H new ATOM 0 HD22 LEU P 40 -6.965 9.630 6.064 1.00 1.83 H new ATOM 0 HD23 LEU P 40 -7.626 11.265 6.300 1.00 1.83 H new ATOM 1640 N THR P 41 -8.171 11.189 2.048 1.00 1.29 N ATOM 1641 CA THR P 41 -7.953 11.294 0.616 1.00 1.18 C ATOM 1642 C THR P 41 -8.362 9.982 -0.062 1.00 1.06 C ATOM 1643 O THR P 41 -8.460 8.935 0.582 1.00 1.10 O ATOM 1644 CB THR P 41 -6.498 11.697 0.336 1.00 1.27 C ATOM 1645 OG1 THR P 41 -5.604 10.665 0.702 1.00 1.40 O ATOM 1646 CG2 THR P 41 -6.144 12.986 1.093 1.00 1.90 C ATOM 0 H THR P 41 -7.346 10.900 2.573 1.00 1.29 H new ATOM 0 HA THR P 41 -8.578 12.079 0.190 1.00 1.18 H new ATOM 0 HB THR P 41 -6.401 11.873 -0.735 1.00 1.27 H new ATOM 0 HG1 THR P 41 -4.685 10.946 0.512 1.00 1.40 H new ATOM 0 HG21 THR P 41 -5.109 13.258 0.884 1.00 1.90 H new ATOM 0 HG22 THR P 41 -6.804 13.791 0.769 1.00 1.90 H new ATOM 0 HG23 THR P 41 -6.267 12.825 2.164 1.00 1.90 H new ATOM 1654 N GLU P 42 -8.605 10.019 -1.373 1.00 1.11 N ATOM 1655 CA GLU P 42 -8.916 8.815 -2.133 1.00 1.16 C ATOM 1656 C GLU P 42 -7.769 7.812 -1.967 1.00 0.91 C ATOM 1657 O GLU P 42 -8.001 6.642 -1.657 1.00 0.87 O ATOM 1658 CB GLU P 42 -9.131 9.163 -3.611 1.00 1.45 C ATOM 1659 CG GLU P 42 -10.195 10.245 -3.824 1.00 1.99 C ATOM 1660 CD GLU P 42 -10.237 10.702 -5.266 1.00 2.76 C ATOM 1661 OE1 GLU P 42 -10.093 9.858 -6.176 1.00 3.32 O ATOM 1662 OE2 GLU P 42 -10.341 11.937 -5.449 1.00 3.69 O ATOM 0 H GLU P 42 -8.591 10.874 -1.929 1.00 1.11 H new ATOM 0 HA GLU P 42 -9.837 8.368 -1.759 1.00 1.16 H new ATOM 0 HB2 GLU P 42 -8.187 9.500 -4.040 1.00 1.45 H new ATOM 0 HB3 GLU P 42 -9.423 8.263 -4.152 1.00 1.45 H new ATOM 0 HG2 GLU P 42 -11.172 9.858 -3.535 1.00 1.99 H new ATOM 0 HG3 GLU P 42 -9.985 11.097 -3.177 1.00 1.99 H new ATOM 1669 N ARG P 43 -6.535 8.290 -2.164 1.00 0.84 N ATOM 1670 CA ARG P 43 -5.311 7.544 -1.901 1.00 0.72 C ATOM 1671 C ARG P 43 -5.434 6.835 -0.558 1.00 0.60 C ATOM 1672 O ARG P 43 -5.373 5.611 -0.487 1.00 0.53 O ATOM 1673 CB ARG P 43 -4.113 8.508 -1.911 1.00 0.83 C ATOM 1674 CG ARG P 43 -2.810 7.892 -1.381 1.00 1.07 C ATOM 1675 CD ARG P 43 -1.691 8.941 -1.326 1.00 1.17 C ATOM 1676 NE ARG P 43 -0.944 9.018 -2.588 1.00 1.72 N ATOM 1677 CZ ARG P 43 -0.950 9.979 -3.523 1.00 2.79 C ATOM 1678 NH1 ARG P 43 -1.775 11.022 -3.450 1.00 3.46 N ATOM 1679 NH2 ARG P 43 -0.094 9.877 -4.534 1.00 4.12 N ATOM 0 H ARG P 43 -6.362 9.230 -2.520 1.00 0.84 H new ATOM 0 HA ARG P 43 -5.153 6.793 -2.675 1.00 0.72 H new ATOM 0 HB2 ARG P 43 -3.949 8.857 -2.931 1.00 0.83 H new ATOM 0 HB3 ARG P 43 -4.359 9.383 -1.310 1.00 0.83 H new ATOM 0 HG2 ARG P 43 -2.976 7.480 -0.386 1.00 1.07 H new ATOM 0 HG3 ARG P 43 -2.507 7.064 -2.022 1.00 1.07 H new ATOM 0 HD2 ARG P 43 -2.120 9.917 -1.099 1.00 1.17 H new ATOM 0 HD3 ARG P 43 -1.006 8.698 -0.514 1.00 1.17 H new ATOM 0 HE ARG P 43 -0.332 8.225 -2.781 1.00 1.72 H new ATOM 0 HH11 ARG P 43 -2.425 11.105 -2.668 1.00 3.46 H new ATOM 0 HH12 ARG P 43 -1.757 11.738 -4.176 1.00 3.46 H new ATOM 0 HH21 ARG P 43 0.544 9.083 -4.584 1.00 4.12 H new ATOM 0 HH22 ARG P 43 -0.075 10.593 -5.261 1.00 4.12 H new ATOM 1693 N GLN P 44 -5.610 7.602 0.513 1.00 0.71 N ATOM 1694 CA GLN P 44 -5.594 7.055 1.858 1.00 0.81 C ATOM 1695 C GLN P 44 -6.599 5.907 2.005 1.00 0.85 C ATOM 1696 O GLN P 44 -6.279 4.898 2.614 1.00 0.88 O ATOM 1697 CB GLN P 44 -5.853 8.191 2.858 1.00 1.01 C ATOM 1698 CG GLN P 44 -4.599 9.057 3.055 1.00 1.25 C ATOM 1699 CD GLN P 44 -4.928 10.482 3.479 1.00 1.81 C ATOM 1700 OE1 GLN P 44 -6.016 10.771 3.977 1.00 2.43 O ATOM 1701 NE2 GLN P 44 -4.017 11.420 3.283 1.00 2.31 N ATOM 0 H GLN P 44 -5.766 8.609 0.471 1.00 0.71 H new ATOM 0 HA GLN P 44 -4.615 6.624 2.068 1.00 0.81 H new ATOM 0 HB2 GLN P 44 -6.674 8.812 2.501 1.00 1.01 H new ATOM 0 HB3 GLN P 44 -6.163 7.772 3.816 1.00 1.01 H new ATOM 0 HG2 GLN P 44 -3.960 8.597 3.808 1.00 1.25 H new ATOM 0 HG3 GLN P 44 -4.030 9.081 2.126 1.00 1.25 H new ATOM 0 HE21 GLN P 44 -3.116 11.178 2.870 1.00 2.31 H new ATOM 0 HE22 GLN P 44 -4.215 12.386 3.545 1.00 2.31 H new ATOM 1710 N ILE P 45 -7.802 5.987 1.432 1.00 0.95 N ATOM 1711 CA ILE P 45 -8.737 4.864 1.561 1.00 1.03 C ATOM 1712 C ILE P 45 -8.330 3.648 0.710 1.00 1.04 C ATOM 1713 O ILE P 45 -8.783 2.532 0.980 1.00 1.53 O ATOM 1714 CB ILE P 45 -10.192 5.292 1.319 1.00 1.12 C ATOM 1715 CG1 ILE P 45 -10.580 6.524 2.154 1.00 1.22 C ATOM 1716 CG2 ILE P 45 -11.154 4.145 1.672 1.00 1.12 C ATOM 1717 CD1 ILE P 45 -10.317 6.390 3.659 1.00 1.27 C ATOM 0 H ILE P 45 -8.144 6.783 0.894 1.00 0.95 H new ATOM 0 HA ILE P 45 -8.678 4.534 2.598 1.00 1.03 H new ATOM 0 HB ILE P 45 -10.271 5.546 0.262 1.00 1.12 H new ATOM 0 HG12 ILE P 45 -10.030 7.387 1.779 1.00 1.22 H new ATOM 0 HG13 ILE P 45 -11.639 6.730 2.002 1.00 1.22 H new ATOM 0 HG21 ILE P 45 -12.181 4.464 1.495 1.00 1.12 H new ATOM 0 HG22 ILE P 45 -10.931 3.278 1.050 1.00 1.12 H new ATOM 0 HG23 ILE P 45 -11.033 3.878 2.722 1.00 1.12 H new ATOM 0 HD11 ILE P 45 -10.622 7.306 4.165 1.00 1.27 H new ATOM 0 HD12 ILE P 45 -10.888 5.550 4.055 1.00 1.27 H new ATOM 0 HD13 ILE P 45 -9.254 6.218 3.829 1.00 1.27 H new ATOM 1729 N LYS P 46 -7.490 3.802 -0.315 1.00 0.73 N ATOM 1730 CA LYS P 46 -6.822 2.638 -0.884 1.00 0.66 C ATOM 1731 C LYS P 46 -5.906 2.073 0.203 1.00 0.49 C ATOM 1732 O LYS P 46 -6.095 0.962 0.710 1.00 0.58 O ATOM 1733 CB LYS P 46 -5.972 3.002 -2.112 1.00 0.98 C ATOM 1734 CG LYS P 46 -6.726 3.662 -3.270 1.00 1.41 C ATOM 1735 CD LYS P 46 -5.712 4.196 -4.295 1.00 1.76 C ATOM 1736 CE LYS P 46 -4.995 3.076 -5.062 1.00 1.82 C ATOM 1737 NZ LYS P 46 -3.935 3.593 -5.947 1.00 2.49 N ATOM 0 H LYS P 46 -7.263 4.694 -0.755 1.00 0.73 H new ATOM 0 HA LYS P 46 -7.572 1.918 -1.211 1.00 0.66 H new ATOM 0 HB2 LYS P 46 -5.174 3.673 -1.793 1.00 0.98 H new ATOM 0 HB3 LYS P 46 -5.496 2.095 -2.483 1.00 0.98 H new ATOM 0 HG2 LYS P 46 -7.394 2.941 -3.743 1.00 1.41 H new ATOM 0 HG3 LYS P 46 -7.348 4.476 -2.898 1.00 1.41 H new ATOM 0 HD2 LYS P 46 -6.227 4.844 -5.004 1.00 1.76 H new ATOM 0 HD3 LYS P 46 -4.972 4.810 -3.781 1.00 1.76 H new ATOM 0 HE2 LYS P 46 -4.561 2.373 -4.352 1.00 1.82 H new ATOM 0 HE3 LYS P 46 -5.722 2.522 -5.655 1.00 1.82 H new ATOM 0 HZ1 LYS P 46 -3.480 2.800 -6.443 1.00 2.49 H new ATOM 0 HZ2 LYS P 46 -4.351 4.244 -6.643 1.00 2.49 H new ATOM 0 HZ3 LYS P 46 -3.226 4.099 -5.380 1.00 2.49 H new ATOM 1751 N ILE P 47 -4.932 2.895 0.591 1.00 0.53 N ATOM 1752 CA ILE P 47 -3.797 2.500 1.403 1.00 0.64 C ATOM 1753 C ILE P 47 -4.252 1.864 2.699 1.00 0.68 C ATOM 1754 O ILE P 47 -3.750 0.812 3.074 1.00 0.81 O ATOM 1755 CB ILE P 47 -2.853 3.696 1.600 1.00 0.73 C ATOM 1756 CG1 ILE P 47 -2.314 4.202 0.251 1.00 0.67 C ATOM 1757 CG2 ILE P 47 -1.677 3.336 2.512 1.00 0.92 C ATOM 1758 CD1 ILE P 47 -1.888 3.069 -0.685 1.00 0.74 C ATOM 0 H ILE P 47 -4.917 3.883 0.338 1.00 0.53 H new ATOM 0 HA ILE P 47 -3.225 1.730 0.885 1.00 0.64 H new ATOM 0 HB ILE P 47 -3.435 4.487 2.073 1.00 0.73 H new ATOM 0 HG12 ILE P 47 -3.081 4.802 -0.239 1.00 0.67 H new ATOM 0 HG13 ILE P 47 -1.462 4.858 0.429 1.00 0.67 H new ATOM 0 HG21 ILE P 47 -1.029 4.204 2.630 1.00 0.92 H new ATOM 0 HG22 ILE P 47 -2.054 3.029 3.488 1.00 0.92 H new ATOM 0 HG23 ILE P 47 -1.110 2.518 2.068 1.00 0.92 H new ATOM 0 HD11 ILE P 47 -1.517 3.489 -1.620 1.00 0.74 H new ATOM 0 HD12 ILE P 47 -1.100 2.483 -0.212 1.00 0.74 H new ATOM 0 HD13 ILE P 47 -2.744 2.426 -0.891 1.00 0.74 H new ATOM 1770 N TRP P 48 -5.227 2.446 3.386 1.00 0.66 N ATOM 1771 CA TRP P 48 -5.724 1.884 4.624 1.00 0.80 C ATOM 1772 C TRP P 48 -6.090 0.410 4.443 1.00 0.63 C ATOM 1773 O TRP P 48 -5.747 -0.414 5.287 1.00 0.94 O ATOM 1774 CB TRP P 48 -6.896 2.706 5.169 1.00 0.96 C ATOM 1775 CG TRP P 48 -7.201 2.442 6.611 1.00 1.19 C ATOM 1776 CD1 TRP P 48 -6.710 3.149 7.650 1.00 1.47 C ATOM 1777 CD2 TRP P 48 -7.927 1.327 7.206 1.00 1.17 C ATOM 1778 NE1 TRP P 48 -7.108 2.577 8.837 1.00 1.62 N ATOM 1779 CE2 TRP P 48 -7.834 1.426 8.627 1.00 1.44 C ATOM 1780 CE3 TRP P 48 -8.622 0.217 6.688 1.00 1.01 C ATOM 1781 CZ2 TRP P 48 -8.393 0.468 9.485 1.00 1.53 C ATOM 1782 CZ3 TRP P 48 -9.098 -0.794 7.541 1.00 1.12 C ATOM 1783 CH2 TRP P 48 -9.004 -0.663 8.934 1.00 1.37 C ATOM 0 H TRP P 48 -5.687 3.310 3.101 1.00 0.66 H new ATOM 0 HA TRP P 48 -4.928 1.931 5.368 1.00 0.80 H new ATOM 0 HB2 TRP P 48 -6.674 3.766 5.042 1.00 0.96 H new ATOM 0 HB3 TRP P 48 -7.784 2.493 4.575 1.00 0.96 H new ATOM 0 HD1 TRP P 48 -6.096 4.033 7.563 1.00 1.47 H new ATOM 0 HE1 TRP P 48 -6.892 2.958 9.758 1.00 1.62 H new ATOM 0 HE3 TRP P 48 -8.791 0.142 5.624 1.00 1.01 H new ATOM 0 HZ2 TRP P 48 -8.352 0.602 10.556 1.00 1.53 H new ATOM 0 HZ3 TRP P 48 -9.542 -1.683 7.118 1.00 1.12 H new ATOM 0 HH2 TRP P 48 -9.402 -1.433 9.579 1.00 1.37 H new ATOM 1794 N PHE P 49 -6.757 0.078 3.333 1.00 0.37 N ATOM 1795 CA PHE P 49 -7.222 -1.268 3.026 1.00 0.43 C ATOM 1796 C PHE P 49 -6.074 -2.162 2.572 1.00 0.45 C ATOM 1797 O PHE P 49 -5.881 -3.221 3.163 1.00 0.52 O ATOM 1798 CB PHE P 49 -8.334 -1.246 1.973 1.00 0.68 C ATOM 1799 CG PHE P 49 -9.698 -0.890 2.532 1.00 0.87 C ATOM 1800 CD1 PHE P 49 -9.949 0.407 3.016 1.00 1.14 C ATOM 1801 CD2 PHE P 49 -10.749 -1.822 2.452 1.00 1.57 C ATOM 1802 CE1 PHE P 49 -11.255 0.786 3.359 1.00 1.39 C ATOM 1803 CE2 PHE P 49 -12.048 -1.448 2.832 1.00 1.94 C ATOM 1804 CZ PHE P 49 -12.303 -0.143 3.275 1.00 1.67 C ATOM 0 H PHE P 49 -6.991 0.758 2.609 1.00 0.37 H new ATOM 0 HA PHE P 49 -7.633 -1.685 3.945 1.00 0.43 H new ATOM 0 HB2 PHE P 49 -8.072 -0.528 1.196 1.00 0.68 H new ATOM 0 HB3 PHE P 49 -8.391 -2.225 1.497 1.00 0.68 H new ATOM 0 HD1 PHE P 49 -9.136 1.110 3.123 1.00 1.14 H new ATOM 0 HD2 PHE P 49 -10.557 -2.824 2.099 1.00 1.57 H new ATOM 0 HE1 PHE P 49 -11.454 1.795 3.688 1.00 1.39 H new ATOM 0 HE2 PHE P 49 -12.852 -2.167 2.783 1.00 1.94 H new ATOM 0 HZ PHE P 49 -13.306 0.147 3.552 1.00 1.67 H new ATOM 1814 N GLN P 50 -5.312 -1.749 1.556 1.00 0.56 N ATOM 1815 CA GLN P 50 -4.117 -2.457 1.094 1.00 0.82 C ATOM 1816 C GLN P 50 -3.255 -2.792 2.317 1.00 0.91 C ATOM 1817 O GLN P 50 -3.059 -3.954 2.677 1.00 1.13 O ATOM 1818 CB GLN P 50 -3.396 -1.569 0.055 1.00 0.94 C ATOM 1819 CG GLN P 50 -1.922 -1.924 -0.222 1.00 1.54 C ATOM 1820 CD GLN P 50 -0.939 -1.246 0.736 1.00 3.58 C ATOM 1821 OE1 GLN P 50 -1.180 -0.130 1.178 1.00 4.72 O ATOM 1822 NE2 GLN P 50 0.142 -1.915 1.118 1.00 4.77 N ATOM 0 H GLN P 50 -5.511 -0.902 1.024 1.00 0.56 H new ATOM 0 HA GLN P 50 -4.355 -3.399 0.600 1.00 0.82 H new ATOM 0 HB2 GLN P 50 -3.946 -1.622 -0.885 1.00 0.94 H new ATOM 0 HB3 GLN P 50 -3.443 -0.534 0.394 1.00 0.94 H new ATOM 0 HG2 GLN P 50 -1.798 -3.005 -0.152 1.00 1.54 H new ATOM 0 HG3 GLN P 50 -1.674 -1.640 -1.245 1.00 1.54 H new ATOM 0 HE21 GLN P 50 0.327 -2.844 0.739 1.00 4.77 H new ATOM 0 HE22 GLN P 50 0.787 -1.500 1.790 1.00 4.77 H new ATOM 1831 N ASN P 51 -2.848 -1.751 3.036 1.00 0.91 N ATOM 1832 CA ASN P 51 -2.034 -1.826 4.244 1.00 1.33 C ATOM 1833 C ASN P 51 -2.756 -2.519 5.403 1.00 1.58 C ATOM 1834 O ASN P 51 -2.190 -2.619 6.481 1.00 2.80 O ATOM 1835 CB ASN P 51 -1.614 -0.406 4.655 1.00 1.51 C ATOM 1836 CG ASN P 51 -0.473 -0.385 5.666 1.00 2.39 C ATOM 1837 OD1 ASN P 51 0.633 -0.820 5.365 1.00 3.51 O ATOM 1838 ND2 ASN P 51 -0.697 0.189 6.842 1.00 3.31 N ATOM 0 H ASN P 51 -3.086 -0.792 2.782 1.00 0.91 H new ATOM 0 HA ASN P 51 -1.157 -2.432 4.017 1.00 1.33 H new ATOM 0 HB2 ASN P 51 -1.313 0.148 3.766 1.00 1.51 H new ATOM 0 HB3 ASN P 51 -2.475 0.112 5.078 1.00 1.51 H new ATOM 0 HD21 ASN P 51 0.060 0.276 7.519 1.00 3.31 H new ATOM 0 HD22 ASN P 51 -1.627 0.543 7.068 1.00 3.31 H new ATOM 1845 N ARG P 52 -3.998 -2.978 5.227 1.00 0.78 N ATOM 1846 CA ARG P 52 -4.639 -3.938 6.114 1.00 0.81 C ATOM 1847 C ARG P 52 -4.486 -5.331 5.507 1.00 0.68 C ATOM 1848 O ARG P 52 -3.822 -6.164 6.101 1.00 0.96 O ATOM 1849 CB ARG P 52 -6.110 -3.581 6.405 1.00 0.96 C ATOM 1850 CG ARG P 52 -6.379 -3.367 7.902 1.00 1.04 C ATOM 1851 CD ARG P 52 -5.745 -2.076 8.441 1.00 1.79 C ATOM 1852 NE ARG P 52 -5.992 -1.916 9.884 1.00 1.92 N ATOM 1853 CZ ARG P 52 -5.373 -1.056 10.709 1.00 2.20 C ATOM 1854 NH1 ARG P 52 -4.488 -0.173 10.253 1.00 2.53 N ATOM 1855 NH2 ARG P 52 -5.682 -1.087 11.999 1.00 3.16 N ATOM 0 H ARG P 52 -4.591 -2.685 4.451 1.00 0.78 H new ATOM 0 HA ARG P 52 -4.147 -3.913 7.086 1.00 0.81 H new ATOM 0 HB2 ARG P 52 -6.376 -2.676 5.859 1.00 0.96 H new ATOM 0 HB3 ARG P 52 -6.754 -4.378 6.034 1.00 0.96 H new ATOM 0 HG2 ARG P 52 -7.455 -3.337 8.073 1.00 1.04 H new ATOM 0 HG3 ARG P 52 -5.991 -4.218 8.462 1.00 1.04 H new ATOM 0 HD2 ARG P 52 -4.671 -2.091 8.254 1.00 1.79 H new ATOM 0 HD3 ARG P 52 -6.150 -1.218 7.904 1.00 1.79 H new ATOM 0 HE ARG P 52 -6.704 -2.518 10.298 1.00 1.92 H new ATOM 0 HH11 ARG P 52 -4.267 -0.140 9.258 1.00 2.53 H new ATOM 0 HH12 ARG P 52 -4.030 0.470 10.899 1.00 2.53 H new ATOM 0 HH21 ARG P 52 -6.374 -1.753 12.342 1.00 3.16 H new ATOM 0 HH22 ARG P 52 -5.227 -0.445 12.648 1.00 3.16 H new ATOM 1869 N ARG P 53 -5.072 -5.636 4.341 1.00 0.58 N ATOM 1870 CA ARG P 53 -5.112 -7.005 3.824 1.00 0.76 C ATOM 1871 C ARG P 53 -3.716 -7.633 3.744 1.00 0.89 C ATOM 1872 O ARG P 53 -3.536 -8.810 4.044 1.00 1.15 O ATOM 1873 CB ARG P 53 -5.815 -7.085 2.456 1.00 0.98 C ATOM 1874 CG ARG P 53 -6.419 -8.491 2.312 1.00 2.16 C ATOM 1875 CD ARG P 53 -7.038 -8.770 0.936 1.00 2.49 C ATOM 1876 NE ARG P 53 -6.063 -8.675 -0.160 1.00 2.89 N ATOM 1877 CZ ARG P 53 -5.346 -9.676 -0.703 1.00 4.47 C ATOM 1878 NH1 ARG P 53 -5.334 -10.898 -0.176 1.00 5.58 N ATOM 1879 NH2 ARG P 53 -4.635 -9.430 -1.804 1.00 5.45 N ATOM 0 H ARG P 53 -5.525 -4.949 3.739 1.00 0.58 H new ATOM 0 HA ARG P 53 -5.699 -7.582 4.539 1.00 0.76 H new ATOM 0 HB2 ARG P 53 -6.594 -6.326 2.384 1.00 0.98 H new ATOM 0 HB3 ARG P 53 -5.106 -6.891 1.651 1.00 0.98 H new ATOM 0 HG2 ARG P 53 -5.641 -9.230 2.505 1.00 2.16 H new ATOM 0 HG3 ARG P 53 -7.184 -8.626 3.077 1.00 2.16 H new ATOM 0 HD2 ARG P 53 -7.480 -9.767 0.937 1.00 2.49 H new ATOM 0 HD3 ARG P 53 -7.848 -8.063 0.757 1.00 2.49 H new ATOM 0 HE ARG P 53 -5.913 -7.746 -0.553 1.00 2.89 H new ATOM 0 HH11 ARG P 53 -5.879 -11.097 0.663 1.00 5.58 H new ATOM 0 HH12 ARG P 53 -4.780 -11.636 -0.611 1.00 5.58 H new ATOM 0 HH21 ARG P 53 -4.642 -8.498 -2.218 1.00 5.45 H new ATOM 0 HH22 ARG P 53 -4.084 -10.174 -2.232 1.00 5.45 H new ATOM 1893 N MET P 54 -2.726 -6.842 3.346 1.00 0.87 N ATOM 1894 CA MET P 54 -1.362 -7.319 3.194 1.00 1.13 C ATOM 1895 C MET P 54 -0.788 -7.613 4.586 1.00 1.44 C ATOM 1896 O MET P 54 -0.472 -8.751 4.923 1.00 1.71 O ATOM 1897 CB MET P 54 -0.567 -6.251 2.428 1.00 1.24 C ATOM 1898 CG MET P 54 -0.891 -6.288 0.926 1.00 1.20 C ATOM 1899 SD MET P 54 -2.619 -6.094 0.411 1.00 2.44 S ATOM 1900 CE MET P 54 -2.467 -6.274 -1.354 1.00 1.90 C ATOM 0 H MET P 54 -2.849 -5.855 3.121 1.00 0.87 H new ATOM 0 HA MET P 54 -1.310 -8.246 2.622 1.00 1.13 H new ATOM 0 HB2 MET P 54 -0.799 -5.264 2.829 1.00 1.24 H new ATOM 0 HB3 MET P 54 0.501 -6.412 2.577 1.00 1.24 H new ATOM 0 HG2 MET P 54 -0.310 -5.503 0.442 1.00 1.20 H new ATOM 0 HG3 MET P 54 -0.532 -7.239 0.532 1.00 1.20 H new ATOM 0 HE1 MET P 54 -3.450 -6.179 -1.815 1.00 1.90 H new ATOM 0 HE2 MET P 54 -1.807 -5.499 -1.743 1.00 1.90 H new ATOM 0 HE3 MET P 54 -2.051 -7.255 -1.585 1.00 1.90 H new ATOM 1910 N LYS P 55 -0.727 -6.568 5.410 1.00 1.57 N ATOM 1911 CA LYS P 55 -0.322 -6.559 6.818 1.00 1.99 C ATOM 1912 C LYS P 55 -0.957 -7.702 7.628 1.00 2.08 C ATOM 1913 O LYS P 55 -0.319 -8.297 8.494 1.00 2.64 O ATOM 1914 CB LYS P 55 -0.745 -5.182 7.348 1.00 2.08 C ATOM 1915 CG LYS P 55 -0.489 -4.872 8.825 1.00 2.43 C ATOM 1916 CD LYS P 55 -1.024 -3.449 9.054 1.00 3.73 C ATOM 1917 CE LYS P 55 -0.765 -2.860 10.440 1.00 4.66 C ATOM 1918 NZ LYS P 55 -1.440 -3.594 11.522 1.00 5.45 N ATOM 0 H LYS P 55 -0.978 -5.634 5.088 1.00 1.57 H new ATOM 0 HA LYS P 55 0.751 -6.723 6.917 1.00 1.99 H new ATOM 0 HB2 LYS P 55 -0.234 -4.424 6.754 1.00 2.08 H new ATOM 0 HB3 LYS P 55 -1.813 -5.066 7.162 1.00 2.08 H new ATOM 0 HG2 LYS P 55 -0.998 -5.589 9.469 1.00 2.43 H new ATOM 0 HG3 LYS P 55 0.574 -4.932 9.059 1.00 2.43 H new ATOM 0 HD2 LYS P 55 -0.579 -2.789 8.310 1.00 3.73 H new ATOM 0 HD3 LYS P 55 -2.099 -3.452 8.875 1.00 3.73 H new ATOM 0 HE2 LYS P 55 0.308 -2.854 10.629 1.00 4.66 H new ATOM 0 HE3 LYS P 55 -1.097 -1.822 10.453 1.00 4.66 H new ATOM 0 HZ1 LYS P 55 -1.224 -3.144 12.434 1.00 5.45 H new ATOM 0 HZ2 LYS P 55 -2.468 -3.579 11.363 1.00 5.45 H new ATOM 0 HZ3 LYS P 55 -1.106 -4.579 11.534 1.00 5.45 H new ATOM 1932 N TRP P 56 -2.221 -7.999 7.329 1.00 1.73 N ATOM 1933 CA TRP P 56 -3.002 -9.131 7.768 1.00 1.88 C ATOM 1934 C TRP P 56 -2.342 -10.396 7.199 1.00 2.33 C ATOM 1935 O TRP P 56 -1.121 -10.559 7.221 1.00 3.71 O ATOM 1936 CB TRP P 56 -4.444 -8.788 7.335 1.00 1.63 C ATOM 1937 CG TRP P 56 -5.650 -9.621 7.640 1.00 1.86 C ATOM 1938 CD1 TRP P 56 -6.489 -9.444 8.685 1.00 2.10 C ATOM 1939 CD2 TRP P 56 -6.345 -10.521 6.732 1.00 1.98 C ATOM 1940 NE1 TRP P 56 -7.617 -10.215 8.508 1.00 2.32 N ATOM 1941 CE2 TRP P 56 -7.612 -10.853 7.288 1.00 2.25 C ATOM 1942 CE3 TRP P 56 -6.041 -11.044 5.462 1.00 2.04 C ATOM 1943 CZ2 TRP P 56 -8.537 -11.649 6.603 1.00 2.51 C ATOM 1944 CZ3 TRP P 56 -6.926 -11.916 4.803 1.00 2.37 C ATOM 1945 CH2 TRP P 56 -8.180 -12.211 5.367 1.00 2.58 C ATOM 0 H TRP P 56 -2.765 -7.391 6.717 1.00 1.73 H new ATOM 0 HA TRP P 56 -3.043 -9.336 8.838 1.00 1.88 H new ATOM 0 HB2 TRP P 56 -4.652 -7.798 7.742 1.00 1.63 H new ATOM 0 HB3 TRP P 56 -4.416 -8.687 6.250 1.00 1.63 H new ATOM 0 HD1 TRP P 56 -6.303 -8.797 9.530 1.00 2.10 H new ATOM 0 HE1 TRP P 56 -8.364 -10.302 9.197 1.00 2.32 H new ATOM 0 HE3 TRP P 56 -5.112 -10.771 4.985 1.00 2.04 H new ATOM 0 HZ2 TRP P 56 -9.516 -11.829 7.021 1.00 2.51 H new ATOM 0 HZ3 TRP P 56 -6.642 -12.361 3.861 1.00 2.37 H new ATOM 0 HH2 TRP P 56 -8.866 -12.867 4.851 1.00 2.58 H new