USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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= -0.862 USER MOD Set 1.2: P 44 GLN : amide:sc= -0.487 K(o=-1.3,f=-6!) USER MOD Set 2.1: P 9 THR OG1 : rot 91:sc= 0.69 USER MOD Set 2.2: P 12 GLN : amide:sc= -0.242 X(o=0.45,f=-0.017) USER MOD Single : P 7 THR OG1 : rot 34:sc= 0.311 USER MOD Single : P 8 TYR OH : rot 180:sc= 0 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 13 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : P 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 23 ASN : amide:sc= 1.38 K(o=1.4,f=-0.21) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0.00468 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 X(o=0,f=0) USER MOD Single : P 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 54 MET CE :methyl -158:sc= -0.0201 (180deg=-0.533) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 -1.376 11.061 11.322 1.00 2.81 N ATOM 1027 CA THR P 7 -1.870 10.234 12.406 1.00 2.97 C ATOM 1028 C THR P 7 -3.294 9.791 12.042 1.00 2.71 C ATOM 1029 O THR P 7 -4.210 10.617 12.032 1.00 3.05 O ATOM 1030 CB THR P 7 -1.839 11.031 13.713 1.00 3.76 C ATOM 1031 OG1 THR P 7 -0.602 11.724 13.845 1.00 4.19 O ATOM 1032 CG2 THR P 7 -2.048 10.103 14.913 1.00 4.25 C ATOM 0 HA THR P 7 -1.247 9.352 12.550 1.00 2.97 H new ATOM 0 HB THR P 7 -2.649 11.759 13.687 1.00 3.76 H new ATOM 0 HG1 THR P 7 -0.284 11.998 12.959 1.00 4.19 H new ATOM 0 HG21 THR P 7 -2.023 10.687 15.833 1.00 4.25 H new ATOM 0 HG22 THR P 7 -3.014 9.606 14.825 1.00 4.25 H new ATOM 0 HG23 THR P 7 -1.256 9.355 14.936 1.00 4.25 H new ATOM 1040 N TYR P 8 -3.504 8.512 11.741 1.00 2.33 N ATOM 1041 CA TYR P 8 -4.850 7.969 11.597 1.00 2.30 C ATOM 1042 C TYR P 8 -5.403 7.751 13.010 1.00 2.58 C ATOM 1043 O TYR P 8 -4.910 6.888 13.740 1.00 2.84 O ATOM 1044 CB TYR P 8 -4.845 6.643 10.819 1.00 2.04 C ATOM 1045 CG TYR P 8 -4.521 6.681 9.328 1.00 1.77 C ATOM 1046 CD1 TYR P 8 -5.490 7.117 8.402 1.00 2.66 C ATOM 1047 CD2 TYR P 8 -3.387 5.999 8.850 1.00 2.56 C ATOM 1048 CE1 TYR P 8 -5.327 6.855 7.027 1.00 2.56 C ATOM 1049 CE2 TYR P 8 -3.237 5.720 7.479 1.00 2.61 C ATOM 1050 CZ TYR P 8 -4.168 6.212 6.554 1.00 1.67 C ATOM 1051 OH TYR P 8 -4.031 5.957 5.220 1.00 1.77 O ATOM 0 H TYR P 8 -2.758 7.833 11.592 1.00 2.33 H new ATOM 0 HA TYR P 8 -5.471 8.664 11.032 1.00 2.30 H new ATOM 0 HB2 TYR P 8 -4.126 5.979 11.299 1.00 2.04 H new ATOM 0 HB3 TYR P 8 -5.828 6.186 10.934 1.00 2.04 H new ATOM 0 HD1 TYR P 8 -6.361 7.654 8.748 1.00 2.66 H new ATOM 0 HD2 TYR P 8 -2.622 5.686 9.544 1.00 2.56 H new ATOM 0 HE1 TYR P 8 -6.098 7.150 6.330 1.00 2.56 H new ATOM 0 HE2 TYR P 8 -2.402 5.125 7.139 1.00 2.61 H new ATOM 0 HH TYR P 8 -3.174 5.509 5.059 1.00 1.77 H new ATOM 1061 N THR P 9 -6.382 8.545 13.431 1.00 2.56 N ATOM 1062 CA THR P 9 -6.985 8.442 14.753 1.00 2.70 C ATOM 1063 C THR P 9 -8.054 7.345 14.824 1.00 2.88 C ATOM 1064 O THR P 9 -8.789 7.125 13.861 1.00 3.37 O ATOM 1065 CB THR P 9 -7.564 9.806 15.165 1.00 2.61 C ATOM 1066 OG1 THR P 9 -8.043 10.521 14.037 1.00 2.56 O ATOM 1067 CG2 THR P 9 -6.472 10.644 15.830 1.00 2.78 C ATOM 0 H THR P 9 -6.783 9.286 12.856 1.00 2.56 H new ATOM 0 HA THR P 9 -6.203 8.155 15.456 1.00 2.70 H new ATOM 0 HB THR P 9 -8.390 9.625 15.853 1.00 2.61 H new ATOM 0 HG1 THR P 9 -8.990 10.311 13.894 1.00 2.56 H new ATOM 0 HG21 THR P 9 -6.882 11.611 16.122 1.00 2.78 H new ATOM 0 HG22 THR P 9 -6.103 10.125 16.714 1.00 2.78 H new ATOM 0 HG23 THR P 9 -5.651 10.795 15.129 1.00 2.78 H new ATOM 1075 N ARG P 10 -8.149 6.719 16.002 1.00 2.78 N ATOM 1076 CA ARG P 10 -9.161 5.759 16.427 1.00 2.90 C ATOM 1077 C ARG P 10 -10.484 5.887 15.676 1.00 2.84 C ATOM 1078 O ARG P 10 -10.866 4.944 14.998 1.00 2.74 O ATOM 1079 CB ARG P 10 -9.360 5.895 17.942 1.00 3.16 C ATOM 1080 CG ARG P 10 -10.565 5.102 18.466 1.00 4.62 C ATOM 1081 CD ARG P 10 -10.587 5.144 19.996 1.00 5.27 C ATOM 1082 NE ARG P 10 -11.928 4.851 20.527 1.00 6.57 N ATOM 1083 CZ ARG P 10 -12.510 3.644 20.526 1.00 6.98 C ATOM 1084 NH1 ARG P 10 -11.766 2.561 20.304 1.00 6.55 N ATOM 1085 NH2 ARG P 10 -13.822 3.526 20.727 1.00 8.27 N ATOM 0 H ARG P 10 -7.463 6.887 16.738 1.00 2.78 H new ATOM 0 HA ARG P 10 -8.798 4.761 16.182 1.00 2.90 H new ATOM 0 HB2 ARG P 10 -8.459 5.554 18.452 1.00 3.16 H new ATOM 0 HB3 ARG P 10 -9.489 6.948 18.192 1.00 3.16 H new ATOM 0 HG2 ARG P 10 -11.489 5.522 18.068 1.00 4.62 H new ATOM 0 HG3 ARG P 10 -10.510 4.069 18.122 1.00 4.62 H new ATOM 0 HD2 ARG P 10 -9.873 4.421 20.391 1.00 5.27 H new ATOM 0 HD3 ARG P 10 -10.267 6.128 20.338 1.00 5.27 H new ATOM 0 HE ARG P 10 -12.455 5.627 20.927 1.00 6.57 H new ATOM 0 HH11 ARG P 10 -10.764 2.656 20.137 1.00 6.55 H new ATOM 0 HH12 ARG P 10 -12.198 1.637 20.301 1.00 6.55 H new ATOM 0 HH21 ARG P 10 -14.391 4.358 20.883 1.00 8.27 H new ATOM 0 HH22 ARG P 10 -14.257 2.604 20.725 1.00 8.27 H new ATOM 1099 N TYR P 11 -11.207 7.002 15.818 1.00 2.97 N ATOM 1100 CA TYR P 11 -12.526 7.167 15.203 1.00 3.01 C ATOM 1101 C TYR P 11 -12.522 6.763 13.731 1.00 2.78 C ATOM 1102 O TYR P 11 -13.435 6.076 13.280 1.00 2.79 O ATOM 1103 CB TYR P 11 -12.993 8.619 15.347 1.00 3.20 C ATOM 1104 CG TYR P 11 -14.201 9.015 14.511 1.00 3.25 C ATOM 1105 CD1 TYR P 11 -15.502 8.762 14.982 1.00 4.20 C ATOM 1106 CD2 TYR P 11 -14.028 9.679 13.280 1.00 3.80 C ATOM 1107 CE1 TYR P 11 -16.618 9.182 14.236 1.00 4.17 C ATOM 1108 CE2 TYR P 11 -15.146 10.090 12.533 1.00 3.90 C ATOM 1109 CZ TYR P 11 -16.443 9.821 12.999 1.00 3.34 C ATOM 1110 OH TYR P 11 -17.531 10.352 12.361 1.00 3.45 O ATOM 0 H TYR P 11 -10.897 7.810 16.358 1.00 2.97 H new ATOM 0 HA TYR P 11 -13.219 6.507 15.725 1.00 3.01 H new ATOM 0 HB2 TYR P 11 -13.225 8.803 16.396 1.00 3.20 H new ATOM 0 HB3 TYR P 11 -12.163 9.275 15.084 1.00 3.20 H new ATOM 0 HD1 TYR P 11 -15.644 8.244 15.919 1.00 4.20 H new ATOM 0 HD2 TYR P 11 -13.032 9.873 12.909 1.00 3.80 H new ATOM 0 HE1 TYR P 11 -17.614 9.012 14.617 1.00 4.17 H new ATOM 0 HE2 TYR P 11 -15.007 10.614 11.599 1.00 3.90 H new ATOM 0 HH TYR P 11 -17.248 10.761 11.517 1.00 3.45 H new ATOM 1120 N GLN P 12 -11.506 7.182 12.984 1.00 2.62 N ATOM 1121 CA GLN P 12 -11.387 6.795 11.591 1.00 2.42 C ATOM 1122 C GLN P 12 -11.221 5.268 11.557 1.00 2.28 C ATOM 1123 O GLN P 12 -11.991 4.554 10.921 1.00 2.36 O ATOM 1124 CB GLN P 12 -10.236 7.583 10.930 1.00 2.36 C ATOM 1125 CG GLN P 12 -10.413 9.104 11.125 1.00 2.54 C ATOM 1126 CD GLN P 12 -9.289 9.931 10.503 1.00 2.55 C ATOM 1127 OE1 GLN P 12 -9.363 10.363 9.359 1.00 3.82 O ATOM 1128 NE2 GLN P 12 -8.240 10.210 11.265 1.00 2.67 N ATOM 0 H GLN P 12 -10.758 7.787 13.322 1.00 2.62 H new ATOM 0 HA GLN P 12 -12.272 7.044 11.006 1.00 2.42 H new ATOM 0 HB2 GLN P 12 -9.284 7.268 11.357 1.00 2.36 H new ATOM 0 HB3 GLN P 12 -10.199 7.353 9.865 1.00 2.36 H new ATOM 0 HG2 GLN P 12 -11.364 9.410 10.689 1.00 2.54 H new ATOM 0 HG3 GLN P 12 -10.467 9.322 12.192 1.00 2.54 H new ATOM 0 HE21 GLN P 12 -8.189 9.845 12.216 1.00 2.67 H new ATOM 0 HE22 GLN P 12 -7.484 10.790 10.900 1.00 2.67 H new ATOM 1137 N THR P 13 -10.242 4.754 12.298 1.00 2.27 N ATOM 1138 CA THR P 13 -9.943 3.331 12.406 1.00 2.20 C ATOM 1139 C THR P 13 -11.131 2.477 12.904 1.00 2.29 C ATOM 1140 O THR P 13 -11.128 1.263 12.710 1.00 2.29 O ATOM 1141 CB THR P 13 -8.688 3.173 13.287 1.00 2.25 C ATOM 1142 OG1 THR P 13 -7.843 4.308 13.164 1.00 2.35 O ATOM 1143 CG2 THR P 13 -7.850 1.958 12.885 1.00 2.11 C ATOM 0 H THR P 13 -9.617 5.335 12.856 1.00 2.27 H new ATOM 0 HA THR P 13 -9.749 2.940 11.407 1.00 2.20 H new ATOM 0 HB THR P 13 -9.052 3.054 14.307 1.00 2.25 H new ATOM 0 HG1 THR P 13 -7.053 4.190 13.731 1.00 2.35 H new ATOM 0 HG21 THR P 13 -6.977 1.888 13.533 1.00 2.11 H new ATOM 0 HG22 THR P 13 -8.450 1.053 12.985 1.00 2.11 H new ATOM 0 HG23 THR P 13 -7.526 2.066 11.850 1.00 2.11 H new ATOM 1151 N LEU P 14 -12.129 3.058 13.572 1.00 2.54 N ATOM 1152 CA LEU P 14 -13.289 2.327 14.066 1.00 2.72 C ATOM 1153 C LEU P 14 -14.130 1.824 12.903 1.00 2.57 C ATOM 1154 O LEU P 14 -14.236 0.615 12.679 1.00 2.51 O ATOM 1155 CB LEU P 14 -14.142 3.195 14.999 1.00 3.07 C ATOM 1156 CG LEU P 14 -13.595 3.346 16.422 1.00 3.21 C ATOM 1157 CD1 LEU P 14 -14.601 4.185 17.205 1.00 3.74 C ATOM 1158 CD2 LEU P 14 -13.445 1.996 17.130 1.00 3.12 C ATOM 0 H LEU P 14 -12.152 4.055 13.785 1.00 2.54 H new ATOM 0 HA LEU P 14 -12.926 1.474 14.639 1.00 2.72 H new ATOM 0 HB2 LEU P 14 -14.243 4.186 14.557 1.00 3.07 H new ATOM 0 HB3 LEU P 14 -15.143 2.768 15.054 1.00 3.07 H new ATOM 0 HG LEU P 14 -12.609 3.808 16.372 1.00 3.21 H new ATOM 0 HD11 LEU P 14 -14.247 4.316 18.228 1.00 3.74 H new ATOM 0 HD12 LEU P 14 -14.709 5.160 16.730 1.00 3.74 H new ATOM 0 HD13 LEU P 14 -15.566 3.678 17.217 1.00 3.74 H new ATOM 0 HD21 LEU P 14 -13.054 2.154 18.135 1.00 3.12 H new ATOM 0 HD22 LEU P 14 -14.417 1.507 17.191 1.00 3.12 H new ATOM 0 HD23 LEU P 14 -12.757 1.365 16.568 1.00 3.12 H new ATOM 1170 N GLU P 15 -14.759 2.757 12.190 1.00 2.57 N ATOM 1171 CA GLU P 15 -15.724 2.415 11.163 1.00 2.55 C ATOM 1172 C GLU P 15 -15.018 1.796 9.966 1.00 2.28 C ATOM 1173 O GLU P 15 -15.581 0.925 9.313 1.00 2.31 O ATOM 1174 CB GLU P 15 -16.543 3.648 10.799 1.00 2.74 C ATOM 1175 CG GLU P 15 -15.702 4.808 10.260 1.00 2.57 C ATOM 1176 CD GLU P 15 -16.564 6.047 10.261 1.00 2.87 C ATOM 1177 OE1 GLU P 15 -16.754 6.626 11.332 1.00 3.73 O ATOM 1178 OE2 GLU P 15 -17.127 6.374 9.180 1.00 3.01 O ATOM 0 H GLU P 15 -14.612 3.759 12.311 1.00 2.57 H new ATOM 0 HA GLU P 15 -16.421 1.665 11.536 1.00 2.55 H new ATOM 0 HB2 GLU P 15 -17.286 3.372 10.051 1.00 2.74 H new ATOM 0 HB3 GLU P 15 -17.088 3.985 11.681 1.00 2.74 H new ATOM 0 HG2 GLU P 15 -14.818 4.958 10.880 1.00 2.57 H new ATOM 0 HG3 GLU P 15 -15.351 4.588 9.252 1.00 2.57 H new ATOM 1185 N LEU P 16 -13.795 2.241 9.686 1.00 2.10 N ATOM 1186 CA LEU P 16 -12.987 1.678 8.623 1.00 1.90 C ATOM 1187 C LEU P 16 -12.744 0.183 8.865 1.00 1.88 C ATOM 1188 O LEU P 16 -12.810 -0.603 7.921 1.00 1.81 O ATOM 1189 CB LEU P 16 -11.676 2.459 8.513 1.00 1.80 C ATOM 1190 CG LEU P 16 -11.832 3.872 7.929 1.00 1.80 C ATOM 1191 CD1 LEU P 16 -10.483 4.595 8.008 1.00 1.80 C ATOM 1192 CD2 LEU P 16 -12.252 3.837 6.460 1.00 1.89 C ATOM 0 H LEU P 16 -13.343 3.002 10.193 1.00 2.10 H new ATOM 0 HA LEU P 16 -13.517 1.766 7.674 1.00 1.90 H new ATOM 0 HB2 LEU P 16 -11.227 2.535 9.503 1.00 1.80 H new ATOM 0 HB3 LEU P 16 -10.981 1.895 7.890 1.00 1.80 H new ATOM 0 HG LEU P 16 -12.602 4.384 8.506 1.00 1.80 H new ATOM 0 HD11 LEU P 16 -10.584 5.599 7.596 1.00 1.80 H new ATOM 0 HD12 LEU P 16 -10.166 4.660 9.049 1.00 1.80 H new ATOM 0 HD13 LEU P 16 -9.739 4.041 7.436 1.00 1.80 H new ATOM 0 HD21 LEU P 16 -12.351 4.856 6.086 1.00 1.89 H new ATOM 0 HD22 LEU P 16 -11.497 3.308 5.878 1.00 1.89 H new ATOM 0 HD23 LEU P 16 -13.208 3.322 6.367 1.00 1.89 H new ATOM 1204 N GLU P 17 -12.483 -0.236 10.109 1.00 2.01 N ATOM 1205 CA GLU P 17 -12.375 -1.660 10.411 1.00 2.07 C ATOM 1206 C GLU P 17 -13.664 -2.392 10.053 1.00 2.21 C ATOM 1207 O GLU P 17 -13.639 -3.503 9.521 1.00 2.24 O ATOM 1208 CB GLU P 17 -12.068 -1.889 11.898 1.00 2.28 C ATOM 1209 CG GLU P 17 -10.593 -2.238 12.075 1.00 2.47 C ATOM 1210 CD GLU P 17 -10.276 -2.814 13.434 1.00 2.80 C ATOM 1211 OE1 GLU P 17 -11.194 -2.844 14.286 1.00 3.83 O ATOM 1212 OE2 GLU P 17 -9.107 -3.213 13.642 1.00 2.75 O ATOM 0 H GLU P 17 -12.345 0.383 10.908 1.00 2.01 H new ATOM 0 HA GLU P 17 -11.555 -2.055 9.811 1.00 2.07 H new ATOM 0 HB2 GLU P 17 -12.310 -0.994 12.471 1.00 2.28 H new ATOM 0 HB3 GLU P 17 -12.691 -2.694 12.287 1.00 2.28 H new ATOM 0 HG2 GLU P 17 -10.301 -2.954 11.307 1.00 2.47 H new ATOM 0 HG3 GLU P 17 -9.993 -1.341 11.919 1.00 2.47 H new ATOM 1219 N LYS P 18 -14.779 -1.797 10.453 1.00 2.32 N ATOM 1220 CA LYS P 18 -16.102 -2.369 10.273 1.00 2.45 C ATOM 1221 C LYS P 18 -16.411 -2.526 8.776 1.00 2.37 C ATOM 1222 O LYS P 18 -16.784 -3.614 8.336 1.00 2.40 O ATOM 1223 CB LYS P 18 -17.119 -1.543 11.076 1.00 2.58 C ATOM 1224 CG LYS P 18 -16.866 -1.768 12.581 1.00 2.78 C ATOM 1225 CD LYS P 18 -17.453 -0.703 13.518 1.00 2.88 C ATOM 1226 CE LYS P 18 -18.862 -0.257 13.113 1.00 4.03 C ATOM 1227 NZ LYS P 18 -19.588 0.372 14.233 1.00 4.24 N ATOM 0 H LYS P 18 -14.788 -0.890 10.919 1.00 2.32 H new ATOM 0 HA LYS P 18 -16.160 -3.381 10.673 1.00 2.45 H new ATOM 0 HB2 LYS P 18 -17.023 -0.485 10.831 1.00 2.58 H new ATOM 0 HB3 LYS P 18 -18.135 -1.839 10.816 1.00 2.58 H new ATOM 0 HG2 LYS P 18 -17.278 -2.738 12.859 1.00 2.78 H new ATOM 0 HG3 LYS P 18 -15.790 -1.819 12.747 1.00 2.78 H new ATOM 0 HD2 LYS P 18 -17.481 -1.097 14.534 1.00 2.88 H new ATOM 0 HD3 LYS P 18 -16.793 0.165 13.531 1.00 2.88 H new ATOM 0 HE2 LYS P 18 -18.795 0.447 12.284 1.00 4.03 H new ATOM 0 HE3 LYS P 18 -19.425 -1.118 12.754 1.00 4.03 H new ATOM 0 HZ1 LYS P 18 -20.536 0.658 13.915 1.00 4.24 H new ATOM 0 HZ2 LYS P 18 -19.676 -0.308 15.015 1.00 4.24 H new ATOM 0 HZ3 LYS P 18 -19.065 1.209 14.559 1.00 4.24 H new ATOM 1241 N GLU P 19 -16.170 -1.484 7.976 1.00 2.27 N ATOM 1242 CA GLU P 19 -16.202 -1.582 6.525 1.00 2.15 C ATOM 1243 C GLU P 19 -15.321 -2.737 6.064 1.00 2.00 C ATOM 1244 O GLU P 19 -15.806 -3.651 5.403 1.00 2.00 O ATOM 1245 CB GLU P 19 -15.731 -0.273 5.874 1.00 2.03 C ATOM 1246 CG GLU P 19 -16.800 0.825 5.926 1.00 2.32 C ATOM 1247 CD GLU P 19 -17.905 0.624 4.906 1.00 2.59 C ATOM 1248 OE1 GLU P 19 -17.898 -0.416 4.211 1.00 3.19 O ATOM 1249 OE2 GLU P 19 -18.765 1.523 4.803 1.00 3.27 O ATOM 0 H GLU P 19 -15.948 -0.551 8.322 1.00 2.27 H new ATOM 0 HA GLU P 19 -17.231 -1.766 6.217 1.00 2.15 H new ATOM 0 HB2 GLU P 19 -14.830 0.077 6.379 1.00 2.03 H new ATOM 0 HB3 GLU P 19 -15.461 -0.464 4.835 1.00 2.03 H new ATOM 0 HG2 GLU P 19 -17.236 0.854 6.925 1.00 2.32 H new ATOM 0 HG3 GLU P 19 -16.328 1.793 5.756 1.00 2.32 H new ATOM 1256 N PHE P 20 -14.035 -2.704 6.407 1.00 1.92 N ATOM 1257 CA PHE P 20 -13.071 -3.717 6.001 1.00 1.82 C ATOM 1258 C PHE P 20 -13.605 -5.126 6.255 1.00 2.01 C ATOM 1259 O PHE P 20 -13.507 -5.988 5.380 1.00 2.21 O ATOM 1260 CB PHE P 20 -11.743 -3.483 6.725 1.00 1.70 C ATOM 1261 CG PHE P 20 -10.622 -4.403 6.286 1.00 1.59 C ATOM 1262 CD1 PHE P 20 -10.555 -5.715 6.793 1.00 1.99 C ATOM 1263 CD2 PHE P 20 -9.626 -3.939 5.407 1.00 3.08 C ATOM 1264 CE1 PHE P 20 -9.505 -6.563 6.412 1.00 1.78 C ATOM 1265 CE2 PHE P 20 -8.573 -4.789 5.031 1.00 3.13 C ATOM 1266 CZ PHE P 20 -8.494 -6.091 5.560 1.00 1.44 C ATOM 0 H PHE P 20 -13.631 -1.964 6.981 1.00 1.92 H new ATOM 0 HA PHE P 20 -12.903 -3.631 4.927 1.00 1.82 H new ATOM 0 HB2 PHE P 20 -11.433 -2.450 6.566 1.00 1.70 H new ATOM 0 HB3 PHE P 20 -11.900 -3.607 7.796 1.00 1.70 H new ATOM 0 HD1 PHE P 20 -11.313 -6.069 7.476 1.00 1.99 H new ATOM 0 HD2 PHE P 20 -9.671 -2.931 5.022 1.00 3.08 H new ATOM 0 HE1 PHE P 20 -9.474 -7.580 6.774 1.00 1.78 H new ATOM 0 HE2 PHE P 20 -7.823 -4.443 4.335 1.00 3.13 H new ATOM 0 HZ PHE P 20 -7.657 -6.726 5.311 1.00 1.44 H new ATOM 1276 N HIS P 21 -14.171 -5.359 7.441 1.00 2.14 N ATOM 1277 CA HIS P 21 -14.766 -6.634 7.801 1.00 2.34 C ATOM 1278 C HIS P 21 -15.773 -7.068 6.732 1.00 2.45 C ATOM 1279 O HIS P 21 -15.730 -8.203 6.254 1.00 2.57 O ATOM 1280 CB HIS P 21 -15.424 -6.531 9.185 1.00 2.64 C ATOM 1281 CG HIS P 21 -15.753 -7.874 9.784 1.00 3.13 C ATOM 1282 ND1 HIS P 21 -17.009 -8.388 10.030 1.00 4.38 N ATOM 1283 CD2 HIS P 21 -14.836 -8.778 10.245 1.00 2.93 C ATOM 1284 CE1 HIS P 21 -16.842 -9.588 10.612 1.00 4.53 C ATOM 1285 NE2 HIS P 21 -15.535 -9.870 10.769 1.00 3.62 N ATOM 0 H HIS P 21 -14.226 -4.658 8.180 1.00 2.14 H new ATOM 0 HA HIS P 21 -13.988 -7.395 7.853 1.00 2.34 H new ATOM 0 HB2 HIS P 21 -14.757 -5.993 9.859 1.00 2.64 H new ATOM 0 HB3 HIS P 21 -16.338 -5.942 9.103 1.00 2.64 H new ATOM 0 HD2 HIS P 21 -13.762 -8.668 10.210 1.00 2.93 H new ATOM 0 HE1 HIS P 21 -17.649 -10.239 10.914 1.00 4.53 H new ATOM 0 HE2 HIS P 21 -15.135 -10.711 11.186 1.00 3.62 H new ATOM 1293 N PHE P 22 -16.671 -6.166 6.347 1.00 2.50 N ATOM 1294 CA PHE P 22 -17.698 -6.446 5.358 1.00 2.69 C ATOM 1295 C PHE P 22 -17.114 -6.609 3.953 1.00 2.62 C ATOM 1296 O PHE P 22 -17.531 -7.487 3.193 1.00 2.87 O ATOM 1297 CB PHE P 22 -18.732 -5.316 5.362 1.00 2.82 C ATOM 1298 CG PHE P 22 -20.064 -5.743 4.785 1.00 3.32 C ATOM 1299 CD1 PHE P 22 -20.991 -6.411 5.604 1.00 3.15 C ATOM 1300 CD2 PHE P 22 -20.327 -5.589 3.411 1.00 4.82 C ATOM 1301 CE1 PHE P 22 -22.172 -6.933 5.052 1.00 3.68 C ATOM 1302 CE2 PHE P 22 -21.508 -6.111 2.858 1.00 5.31 C ATOM 1303 CZ PHE P 22 -22.427 -6.790 3.677 1.00 4.42 C ATOM 0 H PHE P 22 -16.704 -5.216 6.717 1.00 2.50 H new ATOM 0 HA PHE P 22 -18.172 -7.390 5.627 1.00 2.69 H new ATOM 0 HB2 PHE P 22 -18.878 -4.966 6.384 1.00 2.82 H new ATOM 0 HB3 PHE P 22 -18.346 -4.473 4.789 1.00 2.82 H new ATOM 0 HD1 PHE P 22 -20.794 -6.523 6.660 1.00 3.15 H new ATOM 0 HD2 PHE P 22 -19.620 -5.069 2.781 1.00 4.82 H new ATOM 0 HE1 PHE P 22 -22.884 -7.444 5.683 1.00 3.68 H new ATOM 0 HE2 PHE P 22 -21.710 -5.991 1.804 1.00 5.31 H new ATOM 0 HZ PHE P 22 -23.329 -7.202 3.250 1.00 4.42 H new ATOM 1313 N ASN P 23 -16.213 -5.700 3.588 1.00 2.39 N ATOM 1314 CA ASN P 23 -15.773 -5.445 2.223 1.00 2.41 C ATOM 1315 C ASN P 23 -14.386 -4.804 2.198 1.00 2.19 C ATOM 1316 O ASN P 23 -14.233 -3.598 2.365 1.00 2.75 O ATOM 1317 CB ASN P 23 -16.820 -4.650 1.414 1.00 2.60 C ATOM 1318 CG ASN P 23 -17.085 -3.179 1.778 1.00 2.50 C ATOM 1319 OD1 ASN P 23 -17.481 -2.396 0.916 1.00 3.03 O ATOM 1320 ND2 ASN P 23 -16.980 -2.778 3.038 1.00 2.46 N ATOM 0 H ASN P 23 -15.751 -5.096 4.267 1.00 2.39 H new ATOM 0 HA ASN P 23 -15.681 -6.408 1.720 1.00 2.41 H new ATOM 0 HB2 ASN P 23 -16.519 -4.681 0.367 1.00 2.60 H new ATOM 0 HB3 ASN P 23 -17.768 -5.183 1.489 1.00 2.60 H new ATOM 0 HD21 ASN P 23 -17.228 -1.821 3.291 1.00 2.46 H new ATOM 0 HD22 ASN P 23 -16.652 -3.426 3.754 1.00 2.46 H new ATOM 1327 N ARG P 24 -13.353 -5.615 1.963 1.00 1.90 N ATOM 1328 CA ARG P 24 -12.009 -5.138 1.678 1.00 1.93 C ATOM 1329 C ARG P 24 -12.051 -4.355 0.364 1.00 1.92 C ATOM 1330 O ARG P 24 -11.610 -3.206 0.284 1.00 2.02 O ATOM 1331 CB ARG P 24 -11.055 -6.329 1.509 1.00 2.17 C ATOM 1332 CG ARG P 24 -10.887 -7.207 2.754 1.00 2.10 C ATOM 1333 CD ARG P 24 -10.337 -8.584 2.350 1.00 2.21 C ATOM 1334 NE ARG P 24 -11.371 -9.356 1.641 1.00 2.28 N ATOM 1335 CZ ARG P 24 -11.193 -10.419 0.844 1.00 3.26 C ATOM 1336 NH1 ARG P 24 -9.988 -10.712 0.358 1.00 4.66 N ATOM 1337 NH2 ARG P 24 -12.240 -11.171 0.520 1.00 3.75 N ATOM 0 H ARG P 24 -13.433 -6.632 1.966 1.00 1.90 H new ATOM 0 HA ARG P 24 -11.659 -4.510 2.497 1.00 1.93 H new ATOM 0 HB2 ARG P 24 -11.416 -6.951 0.690 1.00 2.17 H new ATOM 0 HB3 ARG P 24 -10.076 -5.952 1.214 1.00 2.17 H new ATOM 0 HG2 ARG P 24 -10.209 -6.727 3.460 1.00 2.10 H new ATOM 0 HG3 ARG P 24 -11.845 -7.322 3.261 1.00 2.10 H new ATOM 0 HD2 ARG P 24 -9.462 -8.461 1.711 1.00 2.21 H new ATOM 0 HD3 ARG P 24 -10.011 -9.128 3.236 1.00 2.21 H new ATOM 0 HE ARG P 24 -12.334 -9.046 1.771 1.00 2.28 H new ATOM 0 HH11 ARG P 24 -9.187 -10.125 0.591 1.00 4.66 H new ATOM 0 HH12 ARG P 24 -9.866 -11.524 -0.247 1.00 4.66 H new ATOM 0 HH21 ARG P 24 -13.166 -10.937 0.877 1.00 3.75 H new ATOM 0 HH22 ARG P 24 -12.117 -11.982 -0.086 1.00 3.75 H new ATOM 1351 N TYR P 25 -12.554 -5.025 -0.674 1.00 2.03 N ATOM 1352 CA TYR P 25 -12.802 -4.463 -1.988 1.00 2.11 C ATOM 1353 C TYR P 25 -13.912 -3.427 -1.855 1.00 2.07 C ATOM 1354 O TYR P 25 -14.989 -3.755 -1.364 1.00 2.27 O ATOM 1355 CB TYR P 25 -13.263 -5.576 -2.942 1.00 2.17 C ATOM 1356 CG TYR P 25 -12.189 -6.532 -3.426 1.00 2.30 C ATOM 1357 CD1 TYR P 25 -11.780 -7.615 -2.623 1.00 2.84 C ATOM 1358 CD2 TYR P 25 -11.731 -6.442 -4.754 1.00 3.11 C ATOM 1359 CE1 TYR P 25 -10.893 -8.578 -3.137 1.00 3.28 C ATOM 1360 CE2 TYR P 25 -10.887 -7.432 -5.280 1.00 3.42 C ATOM 1361 CZ TYR P 25 -10.480 -8.509 -4.478 1.00 3.14 C ATOM 1362 OH TYR P 25 -9.772 -9.526 -5.042 1.00 3.66 O ATOM 0 H TYR P 25 -12.807 -6.011 -0.612 1.00 2.03 H new ATOM 0 HA TYR P 25 -11.894 -4.006 -2.382 1.00 2.11 H new ATOM 0 HB2 TYR P 25 -14.038 -6.157 -2.442 1.00 2.17 H new ATOM 0 HB3 TYR P 25 -13.725 -5.111 -3.813 1.00 2.17 H new ATOM 0 HD1 TYR P 25 -12.148 -7.706 -1.612 1.00 2.84 H new ATOM 0 HD2 TYR P 25 -12.030 -5.607 -5.371 1.00 3.11 H new ATOM 0 HE1 TYR P 25 -10.529 -9.371 -2.500 1.00 3.28 H new ATOM 0 HE2 TYR P 25 -10.550 -7.365 -6.304 1.00 3.42 H new ATOM 0 HH TYR P 25 -9.573 -9.307 -5.976 1.00 3.66 H new ATOM 1372 N LEU P 26 -13.679 -2.203 -2.315 1.00 2.26 N ATOM 1373 CA LEU P 26 -14.738 -1.249 -2.591 1.00 2.41 C ATOM 1374 C LEU P 26 -14.817 -1.164 -4.112 1.00 2.74 C ATOM 1375 O LEU P 26 -13.776 -1.065 -4.769 1.00 3.06 O ATOM 1376 CB LEU P 26 -14.376 0.122 -2.000 1.00 2.25 C ATOM 1377 CG LEU P 26 -14.907 0.354 -0.575 1.00 2.19 C ATOM 1378 CD1 LEU P 26 -14.358 -0.611 0.475 1.00 2.13 C ATOM 1379 CD2 LEU P 26 -14.534 1.763 -0.118 1.00 2.26 C ATOM 0 H LEU P 26 -12.743 -1.846 -2.507 1.00 2.26 H new ATOM 0 HA LEU P 26 -15.688 -1.552 -2.152 1.00 2.41 H new ATOM 0 HB2 LEU P 26 -13.291 0.227 -1.993 1.00 2.25 H new ATOM 0 HB3 LEU P 26 -14.768 0.902 -2.653 1.00 2.25 H new ATOM 0 HG LEU P 26 -15.983 0.195 -0.643 1.00 2.19 H new ATOM 0 HD11 LEU P 26 -14.787 -0.372 1.448 1.00 2.13 H new ATOM 0 HD12 LEU P 26 -14.622 -1.633 0.203 1.00 2.13 H new ATOM 0 HD13 LEU P 26 -13.273 -0.517 0.524 1.00 2.13 H new ATOM 0 HD21 LEU P 26 -14.909 1.929 0.892 1.00 2.26 H new ATOM 0 HD22 LEU P 26 -13.450 1.872 -0.125 1.00 2.26 H new ATOM 0 HD23 LEU P 26 -14.976 2.494 -0.795 1.00 2.26 H new ATOM 1391 N THR P 27 -16.008 -1.189 -4.707 1.00 2.92 N ATOM 1392 CA THR P 27 -16.118 -0.708 -6.078 1.00 3.18 C ATOM 1393 C THR P 27 -15.609 0.742 -6.087 1.00 3.06 C ATOM 1394 O THR P 27 -15.837 1.485 -5.127 1.00 2.86 O ATOM 1395 CB THR P 27 -17.543 -0.877 -6.617 1.00 3.57 C ATOM 1396 OG1 THR P 27 -18.009 -2.163 -6.250 1.00 3.87 O ATOM 1397 CG2 THR P 27 -17.559 -0.792 -8.146 1.00 4.89 C ATOM 0 H THR P 27 -16.874 -1.522 -4.283 1.00 2.92 H new ATOM 0 HA THR P 27 -15.506 -1.297 -6.761 1.00 3.18 H new ATOM 0 HB THR P 27 -18.171 -0.087 -6.205 1.00 3.57 H new ATOM 0 HG1 THR P 27 -18.921 -2.288 -6.585 1.00 3.87 H new ATOM 0 HG21 THR P 27 -18.580 -0.915 -8.507 1.00 4.89 H new ATOM 0 HG22 THR P 27 -17.177 0.179 -8.460 1.00 4.89 H new ATOM 0 HG23 THR P 27 -16.931 -1.580 -8.561 1.00 4.89 H new ATOM 1405 N ARG P 28 -14.803 1.072 -7.096 1.00 3.50 N ATOM 1406 CA ARG P 28 -13.873 2.192 -7.122 1.00 3.64 C ATOM 1407 C ARG P 28 -14.363 3.418 -6.344 1.00 3.71 C ATOM 1408 O ARG P 28 -13.854 3.721 -5.263 1.00 3.80 O ATOM 1409 CB ARG P 28 -13.539 2.505 -8.588 1.00 3.96 C ATOM 1410 CG ARG P 28 -12.350 3.457 -8.768 1.00 4.23 C ATOM 1411 CD ARG P 28 -12.226 3.823 -10.247 1.00 4.28 C ATOM 1412 NE ARG P 28 -11.964 2.640 -11.094 1.00 5.35 N ATOM 1413 CZ ARG P 28 -12.389 2.486 -12.358 1.00 5.85 C ATOM 1414 NH1 ARG P 28 -12.840 3.533 -13.048 1.00 5.64 N ATOM 1415 NH2 ARG P 28 -12.390 1.283 -12.933 1.00 7.11 N ATOM 0 H ARG P 28 -14.783 0.534 -7.962 1.00 3.50 H new ATOM 0 HA ARG P 28 -12.963 1.904 -6.595 1.00 3.64 H new ATOM 0 HB2 ARG P 28 -13.326 1.571 -9.108 1.00 3.96 H new ATOM 0 HB3 ARG P 28 -14.417 2.942 -9.064 1.00 3.96 H new ATOM 0 HG2 ARG P 28 -12.493 4.356 -8.168 1.00 4.23 H new ATOM 0 HG3 ARG P 28 -11.432 2.984 -8.419 1.00 4.23 H new ATOM 0 HD2 ARG P 28 -13.144 4.309 -10.578 1.00 4.28 H new ATOM 0 HD3 ARG P 28 -11.420 4.545 -10.375 1.00 4.28 H new ATOM 0 HE ARG P 28 -11.418 1.881 -10.686 1.00 5.35 H new ATOM 0 HH11 ARG P 28 -12.863 4.457 -12.616 1.00 5.64 H new ATOM 0 HH12 ARG P 28 -13.162 3.411 -14.008 1.00 5.64 H new ATOM 0 HH21 ARG P 28 -12.066 0.468 -12.412 1.00 7.11 H new ATOM 0 HH22 ARG P 28 -12.715 1.177 -13.894 1.00 7.11 H new ATOM 1429 N ARG P 29 -15.355 4.123 -6.875 1.00 4.02 N ATOM 1430 CA ARG P 29 -15.762 5.432 -6.399 1.00 4.33 C ATOM 1431 C ARG P 29 -16.538 5.390 -5.081 1.00 3.87 C ATOM 1432 O ARG P 29 -16.856 6.443 -4.532 1.00 4.02 O ATOM 1433 CB ARG P 29 -16.511 6.164 -7.520 1.00 5.27 C ATOM 1434 CG ARG P 29 -15.550 6.437 -8.689 1.00 6.93 C ATOM 1435 CD ARG P 29 -16.127 7.493 -9.636 1.00 7.51 C ATOM 1436 NE ARG P 29 -15.095 8.051 -10.525 1.00 9.12 N ATOM 1437 CZ ARG P 29 -15.264 9.123 -11.316 1.00 9.89 C ATOM 1438 NH1 ARG P 29 -16.428 9.774 -11.316 1.00 9.75 N ATOM 1439 NH2 ARG P 29 -14.264 9.544 -12.093 1.00 11.06 N ATOM 0 H ARG P 29 -15.908 3.790 -7.665 1.00 4.02 H new ATOM 0 HA ARG P 29 -14.865 6.000 -6.151 1.00 4.33 H new ATOM 0 HB2 ARG P 29 -17.354 5.563 -7.861 1.00 5.27 H new ATOM 0 HB3 ARG P 29 -16.920 7.102 -7.145 1.00 5.27 H new ATOM 0 HG2 ARG P 29 -14.588 6.776 -8.303 1.00 6.93 H new ATOM 0 HG3 ARG P 29 -15.366 5.513 -9.237 1.00 6.93 H new ATOM 0 HD2 ARG P 29 -16.922 7.049 -10.235 1.00 7.51 H new ATOM 0 HD3 ARG P 29 -16.578 8.296 -9.053 1.00 7.51 H new ATOM 0 HE ARG P 29 -14.185 7.590 -10.541 1.00 9.12 H new ATOM 0 HH11 ARG P 29 -17.189 9.458 -10.715 1.00 9.75 H new ATOM 0 HH12 ARG P 29 -16.557 10.588 -11.917 1.00 9.75 H new ATOM 0 HH21 ARG P 29 -13.371 9.051 -12.086 1.00 11.06 H new ATOM 0 HH22 ARG P 29 -14.393 10.358 -12.694 1.00 11.06 H new ATOM 1453 N ARG P 30 -16.774 4.221 -4.483 1.00 3.59 N ATOM 1454 CA ARG P 30 -17.182 4.170 -3.081 1.00 3.30 C ATOM 1455 C ARG P 30 -16.027 4.723 -2.227 1.00 2.74 C ATOM 1456 O ARG P 30 -16.256 5.393 -1.224 1.00 2.60 O ATOM 1457 CB ARG P 30 -17.554 2.720 -2.712 1.00 3.37 C ATOM 1458 CG ARG P 30 -18.573 2.569 -1.571 1.00 3.60 C ATOM 1459 CD ARG P 30 -18.159 3.285 -0.281 1.00 3.66 C ATOM 1460 NE ARG P 30 -18.883 2.823 0.918 1.00 3.48 N ATOM 1461 CZ ARG P 30 -19.549 3.650 1.743 1.00 3.80 C ATOM 1462 NH1 ARG P 30 -20.146 4.728 1.246 1.00 4.73 N ATOM 1463 NH2 ARG P 30 -19.594 3.424 3.055 1.00 3.81 N ATOM 0 H ARG P 30 -16.691 3.312 -4.939 1.00 3.59 H new ATOM 0 HA ARG P 30 -18.065 4.782 -2.896 1.00 3.30 H new ATOM 0 HB2 ARG P 30 -17.953 2.228 -3.599 1.00 3.37 H new ATOM 0 HB3 ARG P 30 -16.643 2.189 -2.435 1.00 3.37 H new ATOM 0 HG2 ARG P 30 -19.536 2.960 -1.901 1.00 3.60 H new ATOM 0 HG3 ARG P 30 -18.715 1.509 -1.359 1.00 3.60 H new ATOM 0 HD2 ARG P 30 -17.090 3.142 -0.125 1.00 3.66 H new ATOM 0 HD3 ARG P 30 -18.323 4.356 -0.403 1.00 3.66 H new ATOM 0 HE ARG P 30 -18.878 1.826 1.132 1.00 3.48 H new ATOM 0 HH11 ARG P 30 -20.097 4.923 0.246 1.00 4.73 H new ATOM 0 HH12 ARG P 30 -20.653 5.361 1.865 1.00 4.73 H new ATOM 0 HH21 ARG P 30 -19.118 2.613 3.449 1.00 3.81 H new ATOM 0 HH22 ARG P 30 -20.104 4.062 3.665 1.00 3.81 H new ATOM 1477 N ARG P 31 -14.768 4.475 -2.618 1.00 2.53 N ATOM 1478 CA ARG P 31 -13.603 4.971 -1.887 1.00 2.10 C ATOM 1479 C ARG P 31 -13.728 6.486 -1.645 1.00 1.97 C ATOM 1480 O ARG P 31 -13.432 6.970 -0.555 1.00 1.78 O ATOM 1481 CB ARG P 31 -12.310 4.665 -2.666 1.00 2.33 C ATOM 1482 CG ARG P 31 -11.959 3.174 -2.721 1.00 2.03 C ATOM 1483 CD ARG P 31 -10.976 2.815 -1.601 1.00 1.49 C ATOM 1484 NE ARG P 31 -10.692 1.374 -1.614 1.00 2.12 N ATOM 1485 CZ ARG P 31 -10.900 0.519 -0.601 1.00 3.53 C ATOM 1486 NH1 ARG P 31 -10.892 0.985 0.641 1.00 4.72 N ATOM 1487 NH2 ARG P 31 -11.132 -0.771 -0.835 1.00 4.67 N ATOM 0 H ARG P 31 -14.534 3.927 -3.446 1.00 2.53 H new ATOM 0 HA ARG P 31 -13.559 4.464 -0.923 1.00 2.10 H new ATOM 0 HB2 ARG P 31 -12.412 5.042 -3.683 1.00 2.33 H new ATOM 0 HB3 ARG P 31 -11.483 5.207 -2.206 1.00 2.33 H new ATOM 0 HG2 ARG P 31 -12.865 2.577 -2.623 1.00 2.03 H new ATOM 0 HG3 ARG P 31 -11.521 2.932 -3.689 1.00 2.03 H new ATOM 0 HD2 ARG P 31 -10.050 3.376 -1.727 1.00 1.49 H new ATOM 0 HD3 ARG P 31 -11.394 3.102 -0.636 1.00 1.49 H new ATOM 0 HE ARG P 31 -10.300 0.987 -2.473 1.00 2.12 H new ATOM 0 HH11 ARG P 31 -10.730 1.977 0.812 1.00 4.72 H new ATOM 0 HH12 ARG P 31 -11.048 0.351 1.425 1.00 4.72 H new ATOM 0 HH21 ARG P 31 -11.153 -1.120 -1.793 1.00 4.67 H new ATOM 0 HH22 ARG P 31 -11.289 -1.411 -0.056 1.00 4.67 H new ATOM 1501 N ILE P 32 -14.158 7.229 -2.668 1.00 2.20 N ATOM 1502 CA ILE P 32 -14.361 8.672 -2.606 1.00 2.16 C ATOM 1503 C ILE P 32 -15.370 8.999 -1.503 1.00 2.15 C ATOM 1504 O ILE P 32 -15.138 9.885 -0.677 1.00 2.08 O ATOM 1505 CB ILE P 32 -14.831 9.176 -3.987 1.00 2.43 C ATOM 1506 CG1 ILE P 32 -13.695 9.046 -5.017 1.00 2.55 C ATOM 1507 CG2 ILE P 32 -15.321 10.629 -3.944 1.00 2.45 C ATOM 1508 CD1 ILE P 32 -14.195 9.066 -6.464 1.00 2.85 C ATOM 0 H ILE P 32 -14.379 6.832 -3.581 1.00 2.20 H new ATOM 0 HA ILE P 32 -13.428 9.180 -2.361 1.00 2.16 H new ATOM 0 HB ILE P 32 -15.674 8.551 -4.282 1.00 2.43 H new ATOM 0 HG12 ILE P 32 -12.986 9.861 -4.872 1.00 2.55 H new ATOM 0 HG13 ILE P 32 -13.154 8.117 -4.838 1.00 2.55 H new ATOM 0 HG21 ILE P 32 -15.640 10.935 -4.940 1.00 2.45 H new ATOM 0 HG22 ILE P 32 -16.160 10.710 -3.253 1.00 2.45 H new ATOM 0 HG23 ILE P 32 -14.511 11.276 -3.608 1.00 2.45 H new ATOM 0 HD11 ILE P 32 -13.348 8.971 -7.143 1.00 2.85 H new ATOM 0 HD12 ILE P 32 -14.883 8.235 -6.623 1.00 2.85 H new ATOM 0 HD13 ILE P 32 -14.711 10.006 -6.658 1.00 2.85 H new ATOM 1520 N GLU P 33 -16.494 8.283 -1.485 1.00 2.35 N ATOM 1521 CA GLU P 33 -17.581 8.536 -0.543 1.00 2.49 C ATOM 1522 C GLU P 33 -17.045 8.391 0.903 1.00 2.34 C ATOM 1523 O GLU P 33 -17.270 9.264 1.743 1.00 2.39 O ATOM 1524 CB GLU P 33 -18.778 7.634 -0.923 1.00 2.85 C ATOM 1525 CG GLU P 33 -19.154 7.939 -2.387 1.00 3.09 C ATOM 1526 CD GLU P 33 -20.535 7.443 -2.783 1.00 3.56 C ATOM 1527 OE1 GLU P 33 -20.676 6.243 -3.004 1.00 4.24 O ATOM 1528 OE2 GLU P 33 -21.481 8.283 -2.941 1.00 4.01 O ATOM 0 H GLU P 33 -16.676 7.510 -2.125 1.00 2.35 H new ATOM 0 HA GLU P 33 -17.961 9.557 -0.594 1.00 2.49 H new ATOM 0 HB2 GLU P 33 -18.515 6.582 -0.808 1.00 2.85 H new ATOM 0 HB3 GLU P 33 -19.625 7.825 -0.264 1.00 2.85 H new ATOM 0 HG2 GLU P 33 -19.105 9.016 -2.548 1.00 3.09 H new ATOM 0 HG3 GLU P 33 -18.413 7.485 -3.045 1.00 3.09 H new ATOM 1535 N ILE P 34 -16.255 7.348 1.174 1.00 2.20 N ATOM 1536 CA ILE P 34 -15.550 7.223 2.454 1.00 2.07 C ATOM 1537 C ILE P 34 -14.676 8.462 2.684 1.00 1.92 C ATOM 1538 O ILE P 34 -14.682 9.056 3.760 1.00 1.99 O ATOM 1539 CB ILE P 34 -14.632 5.982 2.474 1.00 1.88 C ATOM 1540 CG1 ILE P 34 -15.281 4.650 2.086 1.00 2.41 C ATOM 1541 CG2 ILE P 34 -13.927 5.844 3.830 1.00 1.66 C ATOM 1542 CD1 ILE P 34 -16.232 4.104 3.143 1.00 2.37 C ATOM 0 H ILE P 34 -16.087 6.579 0.525 1.00 2.20 H new ATOM 0 HA ILE P 34 -16.303 7.125 3.236 1.00 2.07 H new ATOM 0 HB ILE P 34 -13.913 6.182 1.680 1.00 1.88 H new ATOM 0 HG12 ILE P 34 -15.826 4.780 1.151 1.00 2.41 H new ATOM 0 HG13 ILE P 34 -14.498 3.915 1.899 1.00 2.41 H new ATOM 0 HG21 ILE P 34 -13.286 4.962 3.819 1.00 1.66 H new ATOM 0 HG22 ILE P 34 -13.321 6.731 4.017 1.00 1.66 H new ATOM 0 HG23 ILE P 34 -14.672 5.741 4.619 1.00 1.66 H new ATOM 0 HD11 ILE P 34 -16.654 3.159 2.800 1.00 2.37 H new ATOM 0 HD12 ILE P 34 -15.688 3.942 4.073 1.00 2.37 H new ATOM 0 HD13 ILE P 34 -17.036 4.820 3.314 1.00 2.37 H new ATOM 1554 N ALA P 35 -13.849 8.781 1.686 1.00 1.76 N ATOM 1555 CA ALA P 35 -12.826 9.821 1.773 1.00 1.61 C ATOM 1556 C ALA P 35 -13.409 11.143 2.276 1.00 1.74 C ATOM 1557 O ALA P 35 -12.802 11.807 3.119 1.00 1.78 O ATOM 1558 CB ALA P 35 -12.095 10.008 0.433 1.00 1.53 C ATOM 0 H ALA P 35 -13.873 8.314 0.779 1.00 1.76 H new ATOM 0 HA ALA P 35 -12.090 9.488 2.505 1.00 1.61 H new ATOM 0 HB1 ALA P 35 -11.342 10.789 0.535 1.00 1.53 H new ATOM 0 HB2 ALA P 35 -11.612 9.073 0.148 1.00 1.53 H new ATOM 0 HB3 ALA P 35 -12.812 10.294 -0.336 1.00 1.53 H new ATOM 1564 N HIS P 36 -14.579 11.525 1.767 1.00 1.84 N ATOM 1565 CA HIS P 36 -15.284 12.692 2.273 1.00 1.95 C ATOM 1566 C HIS P 36 -15.864 12.416 3.660 1.00 2.10 C ATOM 1567 O HIS P 36 -15.625 13.188 4.582 1.00 2.12 O ATOM 1568 CB HIS P 36 -16.316 13.192 1.259 1.00 2.09 C ATOM 1569 CG HIS P 36 -15.658 14.020 0.181 1.00 2.11 C ATOM 1570 ND1 HIS P 36 -15.537 15.393 0.192 1.00 2.27 N ATOM 1571 CD2 HIS P 36 -14.869 13.545 -0.834 1.00 2.26 C ATOM 1572 CE1 HIS P 36 -14.715 15.734 -0.816 1.00 2.50 C ATOM 1573 NE2 HIS P 36 -14.275 14.642 -1.469 1.00 2.46 N ATOM 0 H HIS P 36 -15.055 11.041 1.006 1.00 1.84 H new ATOM 0 HA HIS P 36 -14.575 13.510 2.401 1.00 1.95 H new ATOM 0 HB2 HIS P 36 -16.829 12.343 0.808 1.00 2.09 H new ATOM 0 HB3 HIS P 36 -17.073 13.788 1.769 1.00 2.09 H new ATOM 0 HD2 HIS P 36 -14.730 12.507 -1.098 1.00 2.26 H new ATOM 0 HE1 HIS P 36 -14.444 16.749 -1.068 1.00 2.50 H new ATOM 0 HE2 HIS P 36 -13.638 14.619 -2.265 1.00 2.46 H new ATOM 1581 N ALA P 37 -16.588 11.308 3.842 1.00 2.26 N ATOM 1582 CA ALA P 37 -17.216 10.981 5.125 1.00 2.45 C ATOM 1583 C ALA P 37 -16.256 11.106 6.321 1.00 2.43 C ATOM 1584 O ALA P 37 -16.670 11.513 7.409 1.00 2.72 O ATOM 1585 CB ALA P 37 -17.836 9.581 5.058 1.00 2.59 C ATOM 0 H ALA P 37 -16.754 10.617 3.110 1.00 2.26 H new ATOM 0 HA ALA P 37 -18.000 11.718 5.297 1.00 2.45 H new ATOM 0 HB1 ALA P 37 -18.301 9.343 6.014 1.00 2.59 H new ATOM 0 HB2 ALA P 37 -18.590 9.554 4.271 1.00 2.59 H new ATOM 0 HB3 ALA P 37 -17.058 8.849 4.841 1.00 2.59 H new ATOM 1591 N LEU P 38 -14.982 10.747 6.130 1.00 2.23 N ATOM 1592 CA LEU P 38 -13.960 10.789 7.177 1.00 2.22 C ATOM 1593 C LEU P 38 -12.947 11.931 7.032 1.00 2.04 C ATOM 1594 O LEU P 38 -12.146 12.137 7.945 1.00 2.09 O ATOM 1595 CB LEU P 38 -13.236 9.442 7.217 1.00 2.16 C ATOM 1596 CG LEU P 38 -14.114 8.348 7.841 1.00 2.28 C ATOM 1597 CD1 LEU P 38 -13.387 7.015 7.700 1.00 2.32 C ATOM 1598 CD2 LEU P 38 -14.376 8.625 9.327 1.00 2.37 C ATOM 0 H LEU P 38 -14.629 10.415 5.232 1.00 2.23 H new ATOM 0 HA LEU P 38 -14.481 10.986 8.114 1.00 2.22 H new ATOM 0 HB2 LEU P 38 -12.953 9.150 6.206 1.00 2.16 H new ATOM 0 HB3 LEU P 38 -12.314 9.540 7.790 1.00 2.16 H new ATOM 0 HG LEU P 38 -15.075 8.327 7.327 1.00 2.28 H new ATOM 0 HD11 LEU P 38 -13.993 6.222 8.137 1.00 2.32 H new ATOM 0 HD12 LEU P 38 -13.218 6.803 6.644 1.00 2.32 H new ATOM 0 HD13 LEU P 38 -12.429 7.066 8.217 1.00 2.32 H new ATOM 0 HD21 LEU P 38 -15.000 7.833 9.740 1.00 2.37 H new ATOM 0 HD22 LEU P 38 -13.428 8.657 9.864 1.00 2.37 H new ATOM 0 HD23 LEU P 38 -14.886 9.582 9.434 1.00 2.37 H new ATOM 1610 N SER P 39 -12.955 12.668 5.925 1.00 1.90 N ATOM 1611 CA SER P 39 -12.048 13.791 5.689 1.00 1.76 C ATOM 1612 C SER P 39 -10.591 13.347 5.555 1.00 1.60 C ATOM 1613 O SER P 39 -9.690 13.866 6.220 1.00 1.60 O ATOM 1614 CB SER P 39 -12.260 14.911 6.718 1.00 1.94 C ATOM 1615 OG SER P 39 -13.631 15.281 6.733 1.00 2.17 O ATOM 0 H SER P 39 -13.601 12.501 5.154 1.00 1.90 H new ATOM 0 HA SER P 39 -12.302 14.220 4.719 1.00 1.76 H new ATOM 0 HB2 SER P 39 -11.951 14.574 7.708 1.00 1.94 H new ATOM 0 HB3 SER P 39 -11.642 15.773 6.467 1.00 1.94 H new ATOM 0 HG SER P 39 -13.770 15.995 7.390 1.00 2.17 H new ATOM 1621 N LEU P 40 -10.379 12.403 4.640 1.00 1.57 N ATOM 1622 CA LEU P 40 -9.091 11.889 4.197 1.00 1.43 C ATOM 1623 C LEU P 40 -8.999 12.152 2.687 1.00 1.39 C ATOM 1624 O LEU P 40 -9.837 12.867 2.133 1.00 1.69 O ATOM 1625 CB LEU P 40 -9.043 10.391 4.532 1.00 1.48 C ATOM 1626 CG LEU P 40 -8.884 10.119 6.040 1.00 1.55 C ATOM 1627 CD1 LEU P 40 -9.461 8.746 6.398 1.00 1.96 C ATOM 1628 CD2 LEU P 40 -7.407 10.149 6.451 1.00 1.75 C ATOM 0 H LEU P 40 -11.155 11.949 4.159 1.00 1.57 H new ATOM 0 HA LEU P 40 -8.245 12.370 4.688 1.00 1.43 H new ATOM 0 HB2 LEU P 40 -9.957 9.915 4.176 1.00 1.48 H new ATOM 0 HB3 LEU P 40 -8.214 9.930 3.995 1.00 1.48 H new ATOM 0 HG LEU P 40 -9.424 10.901 6.573 1.00 1.55 H new ATOM 0 HD11 LEU P 40 -9.341 8.568 7.467 1.00 1.96 H new ATOM 0 HD12 LEU P 40 -10.520 8.718 6.142 1.00 1.96 H new ATOM 0 HD13 LEU P 40 -8.933 7.973 5.840 1.00 1.96 H new ATOM 0 HD21 LEU P 40 -7.323 9.954 7.520 1.00 1.75 H new ATOM 0 HD22 LEU P 40 -6.860 9.385 5.899 1.00 1.75 H new ATOM 0 HD23 LEU P 40 -6.987 11.129 6.227 1.00 1.75 H new ATOM 1640 N THR P 41 -7.980 11.637 2.003 1.00 1.22 N ATOM 1641 CA THR P 41 -7.844 11.702 0.547 1.00 1.21 C ATOM 1642 C THR P 41 -8.099 10.304 -0.033 1.00 1.05 C ATOM 1643 O THR P 41 -7.862 9.312 0.660 1.00 0.96 O ATOM 1644 CB THR P 41 -6.454 12.260 0.180 1.00 1.33 C ATOM 1645 OG1 THR P 41 -5.543 12.097 1.247 1.00 1.68 O ATOM 1646 CG2 THR P 41 -6.525 13.753 -0.147 1.00 1.92 C ATOM 0 H THR P 41 -7.206 11.151 2.456 1.00 1.22 H new ATOM 0 HA THR P 41 -8.579 12.381 0.114 1.00 1.21 H new ATOM 0 HB THR P 41 -6.115 11.702 -0.693 1.00 1.33 H new ATOM 0 HG1 THR P 41 -4.669 12.457 0.989 1.00 1.68 H new ATOM 0 HG21 THR P 41 -5.530 14.117 -0.402 1.00 1.92 H new ATOM 0 HG22 THR P 41 -7.196 13.909 -0.992 1.00 1.92 H new ATOM 0 HG23 THR P 41 -6.900 14.298 0.719 1.00 1.92 H new ATOM 1654 N GLU P 42 -8.596 10.204 -1.276 1.00 1.11 N ATOM 1655 CA GLU P 42 -8.895 8.931 -1.936 1.00 1.09 C ATOM 1656 C GLU P 42 -7.747 7.942 -1.725 1.00 0.85 C ATOM 1657 O GLU P 42 -7.956 6.803 -1.303 1.00 0.75 O ATOM 1658 CB GLU P 42 -9.081 9.126 -3.449 1.00 1.39 C ATOM 1659 CG GLU P 42 -10.240 10.035 -3.870 1.00 1.92 C ATOM 1660 CD GLU P 42 -10.369 10.026 -5.383 1.00 2.57 C ATOM 1661 OE1 GLU P 42 -10.419 8.932 -5.978 1.00 3.01 O ATOM 1662 OE2 GLU P 42 -10.320 11.112 -6.002 1.00 3.64 O ATOM 0 H GLU P 42 -8.803 11.018 -1.855 1.00 1.11 H new ATOM 0 HA GLU P 42 -9.816 8.545 -1.499 1.00 1.09 H new ATOM 0 HB2 GLU P 42 -8.157 9.534 -3.859 1.00 1.39 H new ATOM 0 HB3 GLU P 42 -9.228 8.148 -3.906 1.00 1.39 H new ATOM 0 HG2 GLU P 42 -11.169 9.693 -3.413 1.00 1.92 H new ATOM 0 HG3 GLU P 42 -10.066 11.051 -3.516 1.00 1.92 H new ATOM 1669 N ARG P 43 -6.532 8.410 -2.024 1.00 0.83 N ATOM 1670 CA ARG P 43 -5.267 7.729 -1.798 1.00 0.76 C ATOM 1671 C ARG P 43 -5.331 6.939 -0.496 1.00 0.59 C ATOM 1672 O ARG P 43 -5.241 5.713 -0.470 1.00 0.51 O ATOM 1673 CB ARG P 43 -4.165 8.805 -1.784 1.00 0.95 C ATOM 1674 CG ARG P 43 -2.802 8.331 -1.263 1.00 1.30 C ATOM 1675 CD ARG P 43 -1.688 9.235 -1.809 1.00 1.35 C ATOM 1676 NE ARG P 43 -1.402 8.889 -3.210 1.00 2.04 N ATOM 1677 CZ ARG P 43 -1.766 9.506 -4.346 1.00 3.55 C ATOM 1678 NH1 ARG P 43 -2.247 10.746 -4.357 1.00 3.84 N ATOM 1679 NH2 ARG P 43 -1.652 8.844 -5.492 1.00 5.51 N ATOM 0 H ARG P 43 -6.404 9.326 -2.454 1.00 0.83 H new ATOM 0 HA ARG P 43 -5.049 7.008 -2.585 1.00 0.76 H new ATOM 0 HB2 ARG P 43 -4.037 9.186 -2.797 1.00 0.95 H new ATOM 0 HB3 ARG P 43 -4.501 9.640 -1.170 1.00 0.95 H new ATOM 0 HG2 ARG P 43 -2.794 8.348 -0.173 1.00 1.30 H new ATOM 0 HG3 ARG P 43 -2.626 7.299 -1.567 1.00 1.30 H new ATOM 0 HD2 ARG P 43 -1.989 10.280 -1.738 1.00 1.35 H new ATOM 0 HD3 ARG P 43 -0.787 9.121 -1.206 1.00 1.35 H new ATOM 0 HE ARG P 43 -0.839 8.048 -3.339 1.00 2.04 H new ATOM 0 HH11 ARG P 43 -2.350 11.261 -3.483 1.00 3.84 H new ATOM 0 HH12 ARG P 43 -2.513 11.182 -5.240 1.00 3.84 H new ATOM 0 HH21 ARG P 43 -1.295 7.889 -5.496 1.00 5.51 H new ATOM 0 HH22 ARG P 43 -1.922 9.291 -6.368 1.00 5.51 H new ATOM 1693 N GLN P 44 -5.552 7.650 0.599 1.00 0.67 N ATOM 1694 CA GLN P 44 -5.454 7.119 1.942 1.00 0.71 C ATOM 1695 C GLN P 44 -6.510 6.031 2.176 1.00 0.76 C ATOM 1696 O GLN P 44 -6.262 5.067 2.904 1.00 0.89 O ATOM 1697 CB GLN P 44 -5.573 8.288 2.929 1.00 0.84 C ATOM 1698 CG GLN P 44 -4.499 9.351 2.627 1.00 1.31 C ATOM 1699 CD GLN P 44 -4.643 10.612 3.467 1.00 1.71 C ATOM 1700 OE1 GLN P 44 -5.739 10.978 3.886 1.00 2.32 O ATOM 1701 NE2 GLN P 44 -3.536 11.302 3.705 1.00 2.04 N ATOM 0 H GLN P 44 -5.811 8.636 0.573 1.00 0.67 H new ATOM 0 HA GLN P 44 -4.490 6.634 2.095 1.00 0.71 H new ATOM 0 HB2 GLN P 44 -6.565 8.733 2.859 1.00 0.84 H new ATOM 0 HB3 GLN P 44 -5.458 7.924 3.950 1.00 0.84 H new ATOM 0 HG2 GLN P 44 -3.513 8.919 2.799 1.00 1.31 H new ATOM 0 HG3 GLN P 44 -4.550 9.619 1.572 1.00 1.31 H new ATOM 0 HE21 GLN P 44 -2.641 10.972 3.343 1.00 2.04 H new ATOM 0 HE22 GLN P 44 -3.579 12.163 4.250 1.00 2.04 H new ATOM 1710 N ILE P 45 -7.685 6.140 1.548 1.00 0.83 N ATOM 1711 CA ILE P 45 -8.706 5.103 1.671 1.00 0.94 C ATOM 1712 C ILE P 45 -8.328 3.863 0.851 1.00 0.95 C ATOM 1713 O ILE P 45 -8.767 2.755 1.172 1.00 1.40 O ATOM 1714 CB ILE P 45 -10.118 5.597 1.315 1.00 1.08 C ATOM 1715 CG1 ILE P 45 -10.461 6.992 1.860 1.00 1.32 C ATOM 1716 CG2 ILE P 45 -11.151 4.593 1.858 1.00 1.07 C ATOM 1717 CD1 ILE P 45 -10.225 7.160 3.363 1.00 1.43 C ATOM 0 H ILE P 45 -7.948 6.928 0.956 1.00 0.83 H new ATOM 0 HA ILE P 45 -8.740 4.827 2.725 1.00 0.94 H new ATOM 0 HB ILE P 45 -10.146 5.673 0.228 1.00 1.08 H new ATOM 0 HG12 ILE P 45 -9.866 7.733 1.326 1.00 1.32 H new ATOM 0 HG13 ILE P 45 -11.507 7.206 1.643 1.00 1.32 H new ATOM 0 HG21 ILE P 45 -12.156 4.935 1.610 1.00 1.07 H new ATOM 0 HG22 ILE P 45 -10.979 3.615 1.408 1.00 1.07 H new ATOM 0 HG23 ILE P 45 -11.050 4.517 2.941 1.00 1.07 H new ATOM 0 HD11 ILE P 45 -10.493 8.173 3.662 1.00 1.43 H new ATOM 0 HD12 ILE P 45 -10.840 6.446 3.910 1.00 1.43 H new ATOM 0 HD13 ILE P 45 -9.174 6.981 3.588 1.00 1.43 H new ATOM 1729 N LYS P 46 -7.518 3.985 -0.206 1.00 0.68 N ATOM 1730 CA LYS P 46 -6.891 2.792 -0.757 1.00 0.60 C ATOM 1731 C LYS P 46 -5.949 2.247 0.310 1.00 0.57 C ATOM 1732 O LYS P 46 -6.106 1.113 0.756 1.00 0.66 O ATOM 1733 CB LYS P 46 -6.049 3.064 -2.009 1.00 0.92 C ATOM 1734 CG LYS P 46 -6.689 3.912 -3.104 1.00 1.58 C ATOM 1735 CD LYS P 46 -5.554 4.373 -4.024 1.00 1.91 C ATOM 1736 CE LYS P 46 -4.936 3.252 -4.873 1.00 1.94 C ATOM 1737 NZ LYS P 46 -4.066 3.776 -5.948 1.00 2.50 N ATOM 0 H LYS P 46 -7.291 4.861 -0.677 1.00 0.68 H new ATOM 0 HA LYS P 46 -7.686 2.102 -1.040 1.00 0.60 H new ATOM 0 HB2 LYS P 46 -5.127 3.554 -1.697 1.00 0.92 H new ATOM 0 HB3 LYS P 46 -5.769 2.105 -2.444 1.00 0.92 H new ATOM 0 HG2 LYS P 46 -7.427 3.334 -3.660 1.00 1.58 H new ATOM 0 HG3 LYS P 46 -7.211 4.767 -2.675 1.00 1.58 H new ATOM 0 HD2 LYS P 46 -5.933 5.150 -4.688 1.00 1.91 H new ATOM 0 HD3 LYS P 46 -4.771 4.827 -3.417 1.00 1.91 H new ATOM 0 HE2 LYS P 46 -4.356 2.590 -4.230 1.00 1.94 H new ATOM 0 HE3 LYS P 46 -5.732 2.652 -5.313 1.00 1.94 H new ATOM 0 HZ1 LYS P 46 -3.672 2.983 -6.493 1.00 2.50 H new ATOM 0 HZ2 LYS P 46 -4.623 4.387 -6.579 1.00 2.50 H new ATOM 0 HZ3 LYS P 46 -3.290 4.327 -5.529 1.00 2.50 H new ATOM 1751 N ILE P 47 -4.976 3.074 0.691 1.00 0.64 N ATOM 1752 CA ILE P 47 -3.781 2.674 1.404 1.00 0.72 C ATOM 1753 C ILE P 47 -4.113 1.991 2.714 1.00 0.72 C ATOM 1754 O ILE P 47 -3.665 0.874 2.932 1.00 0.74 O ATOM 1755 CB ILE P 47 -2.832 3.872 1.561 1.00 0.79 C ATOM 1756 CG1 ILE P 47 -2.260 4.338 0.209 1.00 0.70 C ATOM 1757 CG2 ILE P 47 -1.691 3.556 2.528 1.00 1.04 C ATOM 1758 CD1 ILE P 47 -1.779 3.196 -0.692 1.00 0.77 C ATOM 0 H ILE P 47 -5.007 4.076 0.501 1.00 0.64 H new ATOM 0 HA ILE P 47 -3.252 1.924 0.816 1.00 0.72 H new ATOM 0 HB ILE P 47 -3.427 4.686 1.975 1.00 0.79 H new ATOM 0 HG12 ILE P 47 -3.024 4.907 -0.320 1.00 0.70 H new ATOM 0 HG13 ILE P 47 -1.427 5.017 0.393 1.00 0.70 H new ATOM 0 HG21 ILE P 47 -1.038 4.424 2.616 1.00 1.04 H new ATOM 0 HG22 ILE P 47 -2.102 3.309 3.507 1.00 1.04 H new ATOM 0 HG23 ILE P 47 -1.119 2.709 2.151 1.00 1.04 H new ATOM 0 HD11 ILE P 47 -1.391 3.607 -1.624 1.00 0.77 H new ATOM 0 HD12 ILE P 47 -0.991 2.640 -0.185 1.00 0.77 H new ATOM 0 HD13 ILE P 47 -2.613 2.528 -0.909 1.00 0.77 H new ATOM 1770 N TRP P 48 -4.913 2.611 3.574 1.00 0.73 N ATOM 1771 CA TRP P 48 -5.270 2.013 4.851 1.00 0.78 C ATOM 1772 C TRP P 48 -5.764 0.573 4.642 1.00 0.70 C ATOM 1773 O TRP P 48 -5.325 -0.371 5.299 1.00 0.83 O ATOM 1774 CB TRP P 48 -6.322 2.905 5.512 1.00 0.84 C ATOM 1775 CG TRP P 48 -6.716 2.531 6.905 1.00 1.01 C ATOM 1776 CD1 TRP P 48 -6.261 3.109 8.037 1.00 1.28 C ATOM 1777 CD2 TRP P 48 -7.626 1.479 7.334 1.00 1.07 C ATOM 1778 NE1 TRP P 48 -6.812 2.474 9.131 1.00 1.47 N ATOM 1779 CE2 TRP P 48 -7.649 1.441 8.760 1.00 1.36 C ATOM 1780 CE3 TRP P 48 -8.445 0.558 6.653 1.00 1.02 C ATOM 1781 CZ2 TRP P 48 -8.421 0.501 9.466 1.00 1.55 C ATOM 1782 CZ3 TRP P 48 -9.201 -0.396 7.350 1.00 1.25 C ATOM 1783 CH2 TRP P 48 -9.159 -0.449 8.751 1.00 1.49 C ATOM 0 H TRP P 48 -5.326 3.529 3.408 1.00 0.73 H new ATOM 0 HA TRP P 48 -4.404 1.948 5.510 1.00 0.78 H new ATOM 0 HB2 TRP P 48 -5.946 3.928 5.524 1.00 0.84 H new ATOM 0 HB3 TRP P 48 -7.216 2.901 4.889 1.00 0.84 H new ATOM 0 HD1 TRP P 48 -5.572 3.940 8.080 1.00 1.28 H new ATOM 0 HE1 TRP P 48 -6.623 2.737 10.098 1.00 1.47 H new ATOM 0 HE3 TRP P 48 -8.492 0.587 5.574 1.00 1.02 H new ATOM 0 HZ2 TRP P 48 -8.444 0.512 10.546 1.00 1.55 H new ATOM 0 HZ3 TRP P 48 -9.819 -1.094 6.805 1.00 1.25 H new ATOM 0 HH2 TRP P 48 -9.696 -1.223 9.278 1.00 1.49 H new ATOM 1794 N PHE P 49 -6.652 0.394 3.660 1.00 0.59 N ATOM 1795 CA PHE P 49 -7.233 -0.902 3.349 1.00 0.59 C ATOM 1796 C PHE P 49 -6.172 -1.823 2.753 1.00 0.60 C ATOM 1797 O PHE P 49 -6.088 -2.976 3.153 1.00 0.54 O ATOM 1798 CB PHE P 49 -8.433 -0.767 2.403 1.00 0.69 C ATOM 1799 CG PHE P 49 -9.752 -0.392 3.058 1.00 0.80 C ATOM 1800 CD1 PHE P 49 -9.988 0.940 3.447 1.00 1.30 C ATOM 1801 CD2 PHE P 49 -10.812 -1.321 3.072 1.00 1.18 C ATOM 1802 CE1 PHE P 49 -11.292 1.356 3.761 1.00 1.43 C ATOM 1803 CE2 PHE P 49 -12.102 -0.916 3.454 1.00 1.53 C ATOM 1804 CZ PHE P 49 -12.344 0.426 3.788 1.00 1.43 C ATOM 0 H PHE P 49 -6.985 1.149 3.061 1.00 0.59 H new ATOM 0 HA PHE P 49 -7.599 -1.342 4.277 1.00 0.59 H new ATOM 0 HB2 PHE P 49 -8.196 -0.015 1.651 1.00 0.69 H new ATOM 0 HB3 PHE P 49 -8.566 -1.713 1.878 1.00 0.69 H new ATOM 0 HD1 PHE P 49 -9.168 1.641 3.504 1.00 1.30 H new ATOM 0 HD2 PHE P 49 -10.632 -2.347 2.788 1.00 1.18 H new ATOM 0 HE1 PHE P 49 -11.487 2.395 3.983 1.00 1.43 H new ATOM 0 HE2 PHE P 49 -12.906 -1.636 3.491 1.00 1.53 H new ATOM 0 HZ PHE P 49 -13.338 0.743 4.065 1.00 1.43 H new ATOM 1814 N GLN P 50 -5.389 -1.351 1.782 1.00 0.73 N ATOM 1815 CA GLN P 50 -4.335 -2.119 1.123 1.00 0.83 C ATOM 1816 C GLN P 50 -3.400 -2.671 2.197 1.00 0.84 C ATOM 1817 O GLN P 50 -3.264 -3.877 2.368 1.00 0.90 O ATOM 1818 CB GLN P 50 -3.606 -1.198 0.128 1.00 0.96 C ATOM 1819 CG GLN P 50 -2.541 -1.899 -0.726 1.00 1.08 C ATOM 1820 CD GLN P 50 -1.922 -0.934 -1.725 1.00 2.54 C ATOM 1821 OE1 GLN P 50 -2.165 -1.035 -2.922 1.00 3.43 O ATOM 1822 NE2 GLN P 50 -1.112 -0.003 -1.252 1.00 3.68 N ATOM 0 H GLN P 50 -5.473 -0.400 1.424 1.00 0.73 H new ATOM 0 HA GLN P 50 -4.738 -2.962 0.562 1.00 0.83 H new ATOM 0 HB2 GLN P 50 -4.343 -0.744 -0.534 1.00 0.96 H new ATOM 0 HB3 GLN P 50 -3.133 -0.387 0.682 1.00 0.96 H new ATOM 0 HG2 GLN P 50 -1.764 -2.308 -0.081 1.00 1.08 H new ATOM 0 HG3 GLN P 50 -2.990 -2.739 -1.256 1.00 1.08 H new ATOM 0 HE21 GLN P 50 -0.931 0.054 -0.250 1.00 3.68 H new ATOM 0 HE22 GLN P 50 -0.668 0.659 -1.889 1.00 3.68 H new ATOM 1831 N ASN P 51 -2.833 -1.767 2.984 1.00 0.88 N ATOM 1832 CA ASN P 51 -1.967 -2.066 4.111 1.00 1.13 C ATOM 1833 C ASN P 51 -2.563 -3.132 5.028 1.00 1.01 C ATOM 1834 O ASN P 51 -1.923 -4.151 5.292 1.00 1.21 O ATOM 1835 CB ASN P 51 -1.691 -0.781 4.892 1.00 1.42 C ATOM 1836 CG ASN P 51 -1.032 -1.092 6.223 1.00 2.60 C ATOM 1837 OD1 ASN P 51 -1.699 -1.068 7.253 1.00 4.03 O ATOM 1838 ND2 ASN P 51 0.252 -1.417 6.223 1.00 2.79 N ATOM 0 H ASN P 51 -2.971 -0.766 2.847 1.00 0.88 H new ATOM 0 HA ASN P 51 -1.032 -2.470 3.722 1.00 1.13 H new ATOM 0 HB2 ASN P 51 -1.047 -0.125 4.306 1.00 1.42 H new ATOM 0 HB3 ASN P 51 -2.625 -0.244 5.060 1.00 1.42 H new ATOM 0 HD21 ASN P 51 0.717 -1.658 7.098 1.00 2.79 H new ATOM 0 HD22 ASN P 51 0.776 -1.427 5.348 1.00 2.79 H new ATOM 1845 N ARG P 52 -3.792 -2.908 5.502 1.00 0.85 N ATOM 1846 CA ARG P 52 -4.492 -3.911 6.291 1.00 0.80 C ATOM 1847 C ARG P 52 -4.537 -5.264 5.554 1.00 0.70 C ATOM 1848 O ARG P 52 -4.111 -6.273 6.105 1.00 0.84 O ATOM 1849 CB ARG P 52 -5.891 -3.418 6.694 1.00 0.85 C ATOM 1850 CG ARG P 52 -6.105 -3.020 8.161 1.00 1.07 C ATOM 1851 CD ARG P 52 -5.363 -1.794 8.714 1.00 1.78 C ATOM 1852 NE ARG P 52 -5.692 -1.659 10.151 1.00 1.87 N ATOM 1853 CZ ARG P 52 -5.195 -0.778 11.031 1.00 2.27 C ATOM 1854 NH1 ARG P 52 -4.418 0.219 10.617 1.00 2.57 N ATOM 1855 NH2 ARG P 52 -5.487 -0.866 12.325 1.00 3.55 N ATOM 0 H ARG P 52 -4.315 -2.045 5.352 1.00 0.85 H new ATOM 0 HA ARG P 52 -3.934 -4.072 7.214 1.00 0.80 H new ATOM 0 HB2 ARG P 52 -6.137 -2.557 6.072 1.00 0.85 H new ATOM 0 HB3 ARG P 52 -6.608 -4.202 6.450 1.00 0.85 H new ATOM 0 HG2 ARG P 52 -7.172 -2.851 8.304 1.00 1.07 H new ATOM 0 HG3 ARG P 52 -5.832 -3.876 8.778 1.00 1.07 H new ATOM 0 HD2 ARG P 52 -4.287 -1.909 8.580 1.00 1.78 H new ATOM 0 HD3 ARG P 52 -5.657 -0.896 8.171 1.00 1.78 H new ATOM 0 HE ARG P 52 -6.381 -2.317 10.516 1.00 1.87 H new ATOM 0 HH11 ARG P 52 -4.198 0.316 9.626 1.00 2.57 H new ATOM 0 HH12 ARG P 52 -4.043 0.887 11.291 1.00 2.57 H new ATOM 0 HH21 ARG P 52 -6.097 -1.611 12.661 1.00 3.55 H new ATOM 0 HH22 ARG P 52 -5.101 -0.188 12.982 1.00 3.55 H new ATOM 1869 N ARG P 53 -5.046 -5.303 4.313 1.00 0.66 N ATOM 1870 CA ARG P 53 -5.163 -6.519 3.503 1.00 0.84 C ATOM 1871 C ARG P 53 -3.850 -7.299 3.467 1.00 0.95 C ATOM 1872 O ARG P 53 -3.819 -8.478 3.815 1.00 1.13 O ATOM 1873 CB ARG P 53 -5.621 -6.245 2.061 1.00 1.05 C ATOM 1874 CG ARG P 53 -7.100 -5.869 1.905 1.00 1.55 C ATOM 1875 CD ARG P 53 -7.492 -5.966 0.421 1.00 1.73 C ATOM 1876 NE ARG P 53 -7.983 -4.696 -0.137 1.00 2.82 N ATOM 1877 CZ ARG P 53 -8.741 -4.606 -1.244 1.00 3.55 C ATOM 1878 NH1 ARG P 53 -9.302 -5.697 -1.776 1.00 3.69 N ATOM 1879 NH2 ARG P 53 -8.937 -3.415 -1.803 1.00 4.83 N ATOM 0 H ARG P 53 -5.394 -4.471 3.837 1.00 0.66 H new ATOM 0 HA ARG P 53 -5.932 -7.115 3.993 1.00 0.84 H new ATOM 0 HB2 ARG P 53 -5.013 -5.439 1.651 1.00 1.05 H new ATOM 0 HB3 ARG P 53 -5.423 -7.132 1.459 1.00 1.05 H new ATOM 0 HG2 ARG P 53 -7.722 -6.536 2.502 1.00 1.55 H new ATOM 0 HG3 ARG P 53 -7.271 -4.858 2.274 1.00 1.55 H new ATOM 0 HD2 ARG P 53 -6.628 -6.297 -0.155 1.00 1.73 H new ATOM 0 HD3 ARG P 53 -8.263 -6.728 0.305 1.00 1.73 H new ATOM 0 HE ARG P 53 -7.733 -3.832 0.345 1.00 2.82 H new ATOM 0 HH11 ARG P 53 -9.157 -6.608 -1.342 1.00 3.69 H new ATOM 0 HH12 ARG P 53 -9.875 -5.618 -2.616 1.00 3.69 H new ATOM 0 HH21 ARG P 53 -8.514 -2.583 -1.392 1.00 4.83 H new ATOM 0 HH22 ARG P 53 -9.510 -3.334 -2.643 1.00 4.83 H new ATOM 1893 N MET P 54 -2.785 -6.623 3.043 1.00 0.96 N ATOM 1894 CA MET P 54 -1.453 -7.178 2.883 1.00 1.20 C ATOM 1895 C MET P 54 -1.106 -8.085 4.064 1.00 1.26 C ATOM 1896 O MET P 54 -0.866 -9.285 3.894 1.00 1.61 O ATOM 1897 CB MET P 54 -0.462 -6.019 2.700 1.00 1.34 C ATOM 1898 CG MET P 54 -0.061 -5.785 1.240 1.00 1.44 C ATOM 1899 SD MET P 54 -1.305 -5.143 0.092 1.00 2.56 S ATOM 1900 CE MET P 54 -2.247 -6.594 -0.414 1.00 1.57 C ATOM 0 H MET P 54 -2.833 -5.635 2.793 1.00 0.96 H new ATOM 0 HA MET P 54 -1.400 -7.810 1.996 1.00 1.20 H new ATOM 0 HB2 MET P 54 -0.905 -5.106 3.098 1.00 1.34 H new ATOM 0 HB3 MET P 54 0.434 -6.221 3.287 1.00 1.34 H new ATOM 0 HG2 MET P 54 0.782 -5.094 1.235 1.00 1.44 H new ATOM 0 HG3 MET P 54 0.301 -6.732 0.840 1.00 1.44 H new ATOM 0 HE1 MET P 54 -2.741 -6.394 -1.365 1.00 1.57 H new ATOM 0 HE2 MET P 54 -1.574 -7.444 -0.527 1.00 1.57 H new ATOM 0 HE3 MET P 54 -2.996 -6.824 0.343 1.00 1.57 H new ATOM 1910 N LYS P 55 -1.122 -7.513 5.268 1.00 1.10 N ATOM 1911 CA LYS P 55 -0.780 -8.235 6.479 1.00 1.35 C ATOM 1912 C LYS P 55 -1.861 -9.278 6.783 1.00 1.46 C ATOM 1913 O LYS P 55 -1.566 -10.452 7.004 1.00 1.96 O ATOM 1914 CB LYS P 55 -0.617 -7.221 7.619 1.00 1.42 C ATOM 1915 CG LYS P 55 0.091 -7.804 8.846 1.00 2.58 C ATOM 1916 CD LYS P 55 1.589 -8.021 8.595 1.00 3.76 C ATOM 1917 CE LYS P 55 2.316 -8.404 9.893 1.00 4.97 C ATOM 1918 NZ LYS P 55 3.749 -8.055 9.850 1.00 5.42 N ATOM 0 H LYS P 55 -1.373 -6.537 5.424 1.00 1.10 H new ATOM 0 HA LYS P 55 0.160 -8.773 6.359 1.00 1.35 H new ATOM 0 HB2 LYS P 55 -0.053 -6.362 7.255 1.00 1.42 H new ATOM 0 HB3 LYS P 55 -1.600 -6.854 7.914 1.00 1.42 H new ATOM 0 HG2 LYS P 55 -0.041 -7.132 9.694 1.00 2.58 H new ATOM 0 HG3 LYS P 55 -0.373 -8.753 9.116 1.00 2.58 H new ATOM 0 HD2 LYS P 55 1.727 -8.806 7.852 1.00 3.76 H new ATOM 0 HD3 LYS P 55 2.028 -7.112 8.183 1.00 3.76 H new ATOM 0 HE2 LYS P 55 1.845 -7.897 10.735 1.00 4.97 H new ATOM 0 HE3 LYS P 55 2.209 -9.475 10.065 1.00 4.97 H new ATOM 0 HZ1 LYS P 55 4.200 -8.331 10.745 1.00 5.42 H new ATOM 0 HZ2 LYS P 55 4.205 -8.558 9.063 1.00 5.42 H new ATOM 0 HZ3 LYS P 55 3.853 -7.029 9.712 1.00 5.42 H new ATOM 1932 N TRP P 56 -3.126 -8.851 6.779 1.00 1.22 N ATOM 1933 CA TRP P 56 -4.299 -9.681 7.040 1.00 1.40 C ATOM 1934 C TRP P 56 -4.217 -11.026 6.313 1.00 1.67 C ATOM 1935 O TRP P 56 -4.553 -12.059 6.893 1.00 2.34 O ATOM 1936 CB TRP P 56 -5.562 -8.879 6.695 1.00 1.28 C ATOM 1937 CG TRP P 56 -6.874 -9.599 6.657 1.00 1.58 C ATOM 1938 CD1 TRP P 56 -7.819 -9.584 7.622 1.00 1.71 C ATOM 1939 CD2 TRP P 56 -7.440 -10.371 5.557 1.00 1.91 C ATOM 1940 NE1 TRP P 56 -8.928 -10.285 7.193 1.00 2.02 N ATOM 1941 CE2 TRP P 56 -8.747 -10.803 5.927 1.00 2.14 C ATOM 1942 CE3 TRP P 56 -6.984 -10.730 4.272 1.00 2.16 C ATOM 1943 CZ2 TRP P 56 -9.552 -11.570 5.071 1.00 2.52 C ATOM 1944 CZ3 TRP P 56 -7.768 -11.529 3.418 1.00 2.58 C ATOM 1945 CH2 TRP P 56 -9.048 -11.954 3.817 1.00 2.73 C ATOM 0 H TRP P 56 -3.368 -7.879 6.586 1.00 1.22 H new ATOM 0 HA TRP P 56 -4.340 -9.937 8.099 1.00 1.40 H new ATOM 0 HB2 TRP P 56 -5.649 -8.069 7.419 1.00 1.28 H new ATOM 0 HB3 TRP P 56 -5.407 -8.419 5.719 1.00 1.28 H new ATOM 0 HD1 TRP P 56 -7.722 -9.098 8.582 1.00 1.71 H new ATOM 0 HE1 TRP P 56 -9.778 -10.405 7.745 1.00 2.02 H new ATOM 0 HE3 TRP P 56 -6.017 -10.386 3.937 1.00 2.16 H new ATOM 0 HZ2 TRP P 56 -10.547 -11.862 5.373 1.00 2.52 H new ATOM 0 HZ3 TRP P 56 -7.384 -11.817 2.451 1.00 2.58 H new ATOM 0 HH2 TRP P 56 -9.642 -12.574 3.161 1.00 2.73 H new