USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 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 46 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0) USER MOD Set 1.2: P 50 GLN : amide:sc= 1.44 K(o=3.1,f=-6.6!) USER MOD Set 1.3: P 51 ASN : amide:sc= 0.504 K(o=3.1,f=-8.1!) USER MOD Set 2.1: P 41 THR OG1 : rot -53:sc= 1.04 USER MOD Set 2.2: P 44 GLN : amide:sc= 1.19 K(o=2.2,f=-2.4!) USER MOD Set 3.1: P 9 THR OG1 : rot 180:sc= 0.151 USER MOD Set 3.2: P 12 GLN : amide:sc= 0.418 K(o=0.57,f=-3.8!) USER MOD Single : P 7 THR OG1 : rot 38:sc= 0.174 USER MOD Single : P 8 TYR OH : rot 130:sc= 0 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 13 THR OG1 : rot 93:sc= 1.17 USER MOD Single : P 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0739) USER MOD Single : P 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 23 ASN : amide:sc= 0.0493 K(o=0.049,f=-1.8) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : P 36 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.46) USER MOD Single : P 39 SER OG : rot -4:sc= 0.269 USER MOD Single : P 54 MET CE :methyl 167:sc= 0 (180deg=-0.32) USER MOD Single : P 55 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0618) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 1.075 11.258 11.077 1.00 2.94 N ATOM 1027 CA THR P 7 0.601 10.691 12.327 1.00 3.11 C ATOM 1028 C THR P 7 -0.930 10.743 12.304 1.00 2.99 C ATOM 1029 O THR P 7 -1.531 11.818 12.384 1.00 3.19 O ATOM 1030 CB THR P 7 1.168 11.489 13.506 1.00 3.59 C ATOM 1031 OG1 THR P 7 2.578 11.623 13.399 1.00 4.48 O ATOM 1032 CG2 THR P 7 0.832 10.808 14.838 1.00 3.57 C ATOM 0 HA THR P 7 0.932 9.659 12.443 1.00 3.11 H new ATOM 0 HB THR P 7 0.710 12.478 13.479 1.00 3.59 H new ATOM 0 HG1 THR P 7 2.824 11.755 12.459 1.00 4.48 H new ATOM 0 HG21 THR P 7 1.245 11.393 15.660 1.00 3.57 H new ATOM 0 HG22 THR P 7 -0.250 10.740 14.949 1.00 3.57 H new ATOM 0 HG23 THR P 7 1.262 9.807 14.853 1.00 3.57 H new ATOM 1040 N TYR P 8 -1.567 9.584 12.175 1.00 2.78 N ATOM 1041 CA TYR P 8 -3.016 9.463 12.256 1.00 2.74 C ATOM 1042 C TYR P 8 -3.427 9.583 13.719 1.00 2.97 C ATOM 1043 O TYR P 8 -2.594 9.421 14.610 1.00 3.48 O ATOM 1044 CB TYR P 8 -3.474 8.127 11.652 1.00 2.56 C ATOM 1045 CG TYR P 8 -3.176 8.015 10.171 1.00 2.36 C ATOM 1046 CD1 TYR P 8 -1.872 7.702 9.746 1.00 3.32 C ATOM 1047 CD2 TYR P 8 -4.165 8.321 9.217 1.00 2.76 C ATOM 1048 CE1 TYR P 8 -1.551 7.745 8.383 1.00 3.44 C ATOM 1049 CE2 TYR P 8 -3.859 8.268 7.846 1.00 2.72 C ATOM 1050 CZ TYR P 8 -2.558 7.951 7.425 1.00 2.46 C ATOM 1051 OH TYR P 8 -2.237 8.009 6.104 1.00 2.75 O ATOM 0 H TYR P 8 -1.089 8.698 12.010 1.00 2.78 H new ATOM 0 HA TYR P 8 -3.495 10.257 11.683 1.00 2.74 H new ATOM 0 HB2 TYR P 8 -2.983 7.309 12.179 1.00 2.56 H new ATOM 0 HB3 TYR P 8 -4.546 8.011 11.811 1.00 2.56 H new ATOM 0 HD1 TYR P 8 -1.119 7.429 10.470 1.00 3.32 H new ATOM 0 HD2 TYR P 8 -5.159 8.596 9.538 1.00 2.76 H new ATOM 0 HE1 TYR P 8 -0.526 7.619 8.067 1.00 3.44 H new ATOM 0 HE2 TYR P 8 -4.627 8.472 7.115 1.00 2.72 H new ATOM 0 HH TYR P 8 -2.824 7.409 5.598 1.00 2.75 H new ATOM 1061 N THR P 9 -4.699 9.855 13.982 1.00 2.67 N ATOM 1062 CA THR P 9 -5.255 9.755 15.319 1.00 2.74 C ATOM 1063 C THR P 9 -5.664 8.299 15.547 1.00 2.82 C ATOM 1064 O THR P 9 -5.851 7.552 14.584 1.00 3.01 O ATOM 1065 CB THR P 9 -6.432 10.733 15.434 1.00 2.65 C ATOM 1066 OG1 THR P 9 -7.437 10.401 14.493 1.00 2.56 O ATOM 1067 CG2 THR P 9 -5.923 12.152 15.150 1.00 2.77 C ATOM 0 H THR P 9 -5.371 10.150 13.273 1.00 2.67 H new ATOM 0 HA THR P 9 -4.534 10.027 16.090 1.00 2.74 H new ATOM 0 HB THR P 9 -6.854 10.675 16.437 1.00 2.65 H new ATOM 0 HG1 THR P 9 -8.184 11.030 14.576 1.00 2.56 H new ATOM 0 HG21 THR P 9 -6.750 12.858 15.228 1.00 2.77 H new ATOM 0 HG22 THR P 9 -5.152 12.414 15.875 1.00 2.77 H new ATOM 0 HG23 THR P 9 -5.504 12.194 14.144 1.00 2.77 H new ATOM 1075 N ARG P 10 -5.805 7.858 16.795 1.00 2.94 N ATOM 1076 CA ARG P 10 -6.412 6.558 17.039 1.00 3.00 C ATOM 1077 C ARG P 10 -7.858 6.628 16.569 1.00 2.95 C ATOM 1078 O ARG P 10 -8.309 5.790 15.795 1.00 2.84 O ATOM 1079 CB ARG P 10 -6.366 6.172 18.515 1.00 3.22 C ATOM 1080 CG ARG P 10 -4.913 6.044 18.989 1.00 4.61 C ATOM 1081 CD ARG P 10 -4.704 5.195 20.261 1.00 5.24 C ATOM 1082 NE ARG P 10 -5.625 4.054 20.387 1.00 5.23 N ATOM 1083 CZ ARG P 10 -6.844 4.122 20.947 1.00 5.66 C ATOM 1084 NH1 ARG P 10 -7.301 5.285 21.425 1.00 6.53 N ATOM 1085 NH2 ARG P 10 -7.613 3.039 20.998 1.00 5.94 N ATOM 0 H ARG P 10 -5.515 8.367 17.630 1.00 2.94 H new ATOM 0 HA ARG P 10 -5.854 5.796 16.495 1.00 3.00 H new ATOM 0 HB2 ARG P 10 -6.885 6.924 19.110 1.00 3.22 H new ATOM 0 HB3 ARG P 10 -6.889 5.228 18.667 1.00 3.22 H new ATOM 0 HG2 ARG P 10 -4.322 5.610 18.182 1.00 4.61 H new ATOM 0 HG3 ARG P 10 -4.519 7.044 19.171 1.00 4.61 H new ATOM 0 HD2 ARG P 10 -3.680 4.823 20.271 1.00 5.24 H new ATOM 0 HD3 ARG P 10 -4.818 5.837 21.135 1.00 5.24 H new ATOM 0 HE ARG P 10 -5.317 3.151 20.025 1.00 5.23 H new ATOM 0 HH11 ARG P 10 -6.723 6.123 21.365 1.00 6.53 H new ATOM 0 HH12 ARG P 10 -8.227 5.333 21.850 1.00 6.53 H new ATOM 0 HH21 ARG P 10 -7.277 2.157 20.612 1.00 5.94 H new ATOM 0 HH22 ARG P 10 -8.539 3.090 21.423 1.00 5.94 H new ATOM 1099 N TYR P 11 -8.562 7.660 17.043 1.00 3.10 N ATOM 1100 CA TYR P 11 -9.963 7.922 16.768 1.00 3.18 C ATOM 1101 C TYR P 11 -10.368 7.584 15.329 1.00 2.90 C ATOM 1102 O TYR P 11 -11.320 6.832 15.122 1.00 2.96 O ATOM 1103 CB TYR P 11 -10.238 9.393 17.093 1.00 3.38 C ATOM 1104 CG TYR P 11 -11.597 9.854 16.629 1.00 3.49 C ATOM 1105 CD1 TYR P 11 -12.745 9.308 17.227 1.00 3.78 C ATOM 1106 CD2 TYR P 11 -11.711 10.571 15.424 1.00 3.45 C ATOM 1107 CE1 TYR P 11 -13.995 9.451 16.606 1.00 3.85 C ATOM 1108 CE2 TYR P 11 -12.967 10.737 14.822 1.00 3.50 C ATOM 1109 CZ TYR P 11 -14.108 10.182 15.416 1.00 3.62 C ATOM 1110 OH TYR P 11 -15.333 10.412 14.866 1.00 3.77 O ATOM 0 H TYR P 11 -8.145 8.362 17.655 1.00 3.10 H new ATOM 0 HA TYR P 11 -10.571 7.269 17.395 1.00 3.18 H new ATOM 0 HB2 TYR P 11 -10.157 9.543 18.170 1.00 3.38 H new ATOM 0 HB3 TYR P 11 -9.471 10.012 16.627 1.00 3.38 H new ATOM 0 HD1 TYR P 11 -12.665 8.778 18.165 1.00 3.78 H new ATOM 0 HD2 TYR P 11 -10.831 10.994 14.962 1.00 3.45 H new ATOM 0 HE1 TYR P 11 -14.871 8.997 17.046 1.00 3.85 H new ATOM 0 HE2 TYR P 11 -13.055 11.293 13.900 1.00 3.50 H new ATOM 0 HH TYR P 11 -15.229 10.935 14.044 1.00 3.77 H new ATOM 1120 N GLN P 12 -9.700 8.159 14.326 1.00 2.65 N ATOM 1121 CA GLN P 12 -10.122 7.935 12.947 1.00 2.46 C ATOM 1122 C GLN P 12 -9.881 6.476 12.542 1.00 2.24 C ATOM 1123 O GLN P 12 -10.757 5.832 11.972 1.00 2.24 O ATOM 1124 CB GLN P 12 -9.489 8.976 12.014 1.00 2.43 C ATOM 1125 CG GLN P 12 -7.987 8.795 11.760 1.00 2.80 C ATOM 1126 CD GLN P 12 -7.331 10.080 11.264 1.00 2.58 C ATOM 1127 OE1 GLN P 12 -6.163 10.335 11.548 1.00 3.20 O ATOM 1128 NE2 GLN P 12 -8.062 10.926 10.545 1.00 2.38 N ATOM 0 H GLN P 12 -8.888 8.766 14.439 1.00 2.65 H new ATOM 0 HA GLN P 12 -11.198 8.085 12.856 1.00 2.46 H new ATOM 0 HB2 GLN P 12 -10.010 8.947 11.057 1.00 2.43 H new ATOM 0 HB3 GLN P 12 -9.653 9.967 12.437 1.00 2.43 H new ATOM 0 HG2 GLN P 12 -7.500 8.472 12.680 1.00 2.80 H new ATOM 0 HG3 GLN P 12 -7.837 8.004 11.025 1.00 2.80 H new ATOM 0 HE21 GLN P 12 -9.030 10.698 10.318 1.00 2.38 H new ATOM 0 HE22 GLN P 12 -7.655 11.803 10.220 1.00 2.38 H new ATOM 1137 N THR P 13 -8.713 5.939 12.894 1.00 2.28 N ATOM 1138 CA THR P 13 -8.380 4.544 12.665 1.00 2.18 C ATOM 1139 C THR P 13 -9.470 3.633 13.246 1.00 2.30 C ATOM 1140 O THR P 13 -9.873 2.666 12.613 1.00 2.25 O ATOM 1141 CB THR P 13 -6.994 4.250 13.265 1.00 2.25 C ATOM 1142 OG1 THR P 13 -6.123 5.339 13.011 1.00 2.38 O ATOM 1143 CG2 THR P 13 -6.357 3.008 12.645 1.00 2.14 C ATOM 0 H THR P 13 -7.970 6.469 13.349 1.00 2.28 H new ATOM 0 HA THR P 13 -8.335 4.341 11.595 1.00 2.18 H new ATOM 0 HB THR P 13 -7.137 4.090 14.334 1.00 2.25 H new ATOM 0 HG1 THR P 13 -6.144 5.959 13.770 1.00 2.38 H new ATOM 0 HG21 THR P 13 -5.380 2.836 13.097 1.00 2.14 H new ATOM 0 HG22 THR P 13 -6.996 2.143 12.824 1.00 2.14 H new ATOM 0 HG23 THR P 13 -6.239 3.157 11.572 1.00 2.14 H new ATOM 1151 N LEU P 14 -9.958 3.938 14.450 1.00 2.52 N ATOM 1152 CA LEU P 14 -10.897 3.101 15.187 1.00 2.71 C ATOM 1153 C LEU P 14 -12.108 2.667 14.350 1.00 2.65 C ATOM 1154 O LEU P 14 -12.457 1.486 14.356 1.00 2.68 O ATOM 1155 CB LEU P 14 -11.323 3.801 16.493 1.00 3.03 C ATOM 1156 CG LEU P 14 -10.709 3.131 17.729 1.00 3.31 C ATOM 1157 CD1 LEU P 14 -10.836 4.046 18.949 1.00 3.80 C ATOM 1158 CD2 LEU P 14 -11.410 1.800 18.029 1.00 3.29 C ATOM 0 H LEU P 14 -9.704 4.792 14.947 1.00 2.52 H new ATOM 0 HA LEU P 14 -10.375 2.178 15.439 1.00 2.71 H new ATOM 0 HB2 LEU P 14 -11.020 4.847 16.459 1.00 3.03 H new ATOM 0 HB3 LEU P 14 -12.410 3.786 16.575 1.00 3.03 H new ATOM 0 HG LEU P 14 -9.656 2.944 17.519 1.00 3.31 H new ATOM 0 HD11 LEU P 14 -10.396 3.557 19.818 1.00 3.80 H new ATOM 0 HD12 LEU P 14 -10.314 4.983 18.757 1.00 3.80 H new ATOM 0 HD13 LEU P 14 -11.889 4.251 19.142 1.00 3.80 H new ATOM 0 HD21 LEU P 14 -10.959 1.342 18.909 1.00 3.29 H new ATOM 0 HD22 LEU P 14 -12.469 1.980 18.216 1.00 3.29 H new ATOM 0 HD23 LEU P 14 -11.301 1.131 17.175 1.00 3.29 H new ATOM 1170 N GLU P 15 -12.771 3.595 13.656 1.00 2.61 N ATOM 1171 CA GLU P 15 -13.932 3.237 12.847 1.00 2.63 C ATOM 1172 C GLU P 15 -13.486 2.572 11.543 1.00 2.37 C ATOM 1173 O GLU P 15 -14.184 1.713 11.005 1.00 2.37 O ATOM 1174 CB GLU P 15 -14.865 4.438 12.646 1.00 2.85 C ATOM 1175 CG GLU P 15 -14.208 5.657 11.993 1.00 3.21 C ATOM 1176 CD GLU P 15 -15.055 6.898 12.207 1.00 3.76 C ATOM 1177 OE1 GLU P 15 -15.071 7.402 13.351 1.00 5.05 O ATOM 1178 OE2 GLU P 15 -15.667 7.398 11.237 1.00 3.38 O ATOM 0 H GLU P 15 -12.527 4.585 13.639 1.00 2.61 H new ATOM 0 HA GLU P 15 -14.528 2.497 13.381 1.00 2.63 H new ATOM 0 HB2 GLU P 15 -15.710 4.126 12.032 1.00 2.85 H new ATOM 0 HB3 GLU P 15 -15.267 4.734 13.615 1.00 2.85 H new ATOM 0 HG2 GLU P 15 -13.215 5.811 12.414 1.00 3.21 H new ATOM 0 HG3 GLU P 15 -14.077 5.479 10.926 1.00 3.21 H new ATOM 1185 N LEU P 16 -12.309 2.945 11.048 1.00 2.22 N ATOM 1186 CA LEU P 16 -11.678 2.302 9.911 1.00 2.07 C ATOM 1187 C LEU P 16 -11.521 0.795 10.178 1.00 1.96 C ATOM 1188 O LEU P 16 -11.941 -0.027 9.361 1.00 1.91 O ATOM 1189 CB LEU P 16 -10.345 3.012 9.607 1.00 2.03 C ATOM 1190 CG LEU P 16 -10.279 3.581 8.186 1.00 1.63 C ATOM 1191 CD1 LEU P 16 -8.998 4.400 8.006 1.00 1.62 C ATOM 1192 CD2 LEU P 16 -10.314 2.478 7.135 1.00 2.19 C ATOM 0 H LEU P 16 -11.763 3.715 11.435 1.00 2.22 H new ATOM 0 HA LEU P 16 -12.301 2.390 9.021 1.00 2.07 H new ATOM 0 HB2 LEU P 16 -10.199 3.821 10.323 1.00 2.03 H new ATOM 0 HB3 LEU P 16 -9.525 2.309 9.749 1.00 2.03 H new ATOM 0 HG LEU P 16 -11.154 4.217 8.049 1.00 1.63 H new ATOM 0 HD11 LEU P 16 -8.961 4.800 6.993 1.00 1.62 H new ATOM 0 HD12 LEU P 16 -8.989 5.223 8.721 1.00 1.62 H new ATOM 0 HD13 LEU P 16 -8.131 3.762 8.176 1.00 1.62 H new ATOM 0 HD21 LEU P 16 -10.265 2.921 6.140 1.00 2.19 H new ATOM 0 HD22 LEU P 16 -9.463 1.812 7.278 1.00 2.19 H new ATOM 0 HD23 LEU P 16 -11.239 1.910 7.234 1.00 2.19 H new ATOM 1204 N GLU P 17 -10.993 0.409 11.346 1.00 2.02 N ATOM 1205 CA GLU P 17 -10.918 -0.991 11.745 1.00 2.03 C ATOM 1206 C GLU P 17 -12.295 -1.662 11.671 1.00 2.17 C ATOM 1207 O GLU P 17 -12.407 -2.794 11.202 1.00 2.12 O ATOM 1208 CB GLU P 17 -10.331 -1.148 13.155 1.00 2.20 C ATOM 1209 CG GLU P 17 -8.938 -0.522 13.317 1.00 2.36 C ATOM 1210 CD GLU P 17 -8.219 -1.030 14.546 1.00 2.64 C ATOM 1211 OE1 GLU P 17 -8.897 -1.391 15.533 1.00 3.02 O ATOM 1212 OE2 GLU P 17 -6.969 -1.094 14.516 1.00 3.46 O ATOM 0 H GLU P 17 -10.610 1.058 12.033 1.00 2.02 H new ATOM 0 HA GLU P 17 -10.249 -1.487 11.042 1.00 2.03 H new ATOM 0 HB2 GLU P 17 -11.011 -0.692 13.875 1.00 2.20 H new ATOM 0 HB3 GLU P 17 -10.274 -2.209 13.399 1.00 2.20 H new ATOM 0 HG2 GLU P 17 -8.339 -0.740 12.433 1.00 2.36 H new ATOM 0 HG3 GLU P 17 -9.034 0.562 13.377 1.00 2.36 H new ATOM 1219 N LYS P 18 -13.330 -0.979 12.158 1.00 2.38 N ATOM 1220 CA LYS P 18 -14.695 -1.487 12.155 1.00 2.56 C ATOM 1221 C LYS P 18 -15.266 -1.606 10.733 1.00 2.51 C ATOM 1222 O LYS P 18 -16.064 -2.505 10.459 1.00 2.63 O ATOM 1223 CB LYS P 18 -15.575 -0.627 13.069 1.00 2.86 C ATOM 1224 CG LYS P 18 -15.158 -0.739 14.541 1.00 3.45 C ATOM 1225 CD LYS P 18 -16.002 0.223 15.387 1.00 3.77 C ATOM 1226 CE LYS P 18 -15.734 0.073 16.890 1.00 5.07 C ATOM 1227 NZ LYS P 18 -16.140 -1.248 17.419 1.00 5.70 N ATOM 0 H LYS P 18 -13.241 -0.050 12.569 1.00 2.38 H new ATOM 0 HA LYS P 18 -14.685 -2.502 12.553 1.00 2.56 H new ATOM 0 HB2 LYS P 18 -15.516 0.415 12.754 1.00 2.86 H new ATOM 0 HB3 LYS P 18 -16.616 -0.933 12.963 1.00 2.86 H new ATOM 0 HG2 LYS P 18 -15.293 -1.762 14.891 1.00 3.45 H new ATOM 0 HG3 LYS P 18 -14.100 -0.502 14.649 1.00 3.45 H new ATOM 0 HD2 LYS P 18 -15.791 1.249 15.084 1.00 3.77 H new ATOM 0 HD3 LYS P 18 -17.059 0.043 15.190 1.00 3.77 H new ATOM 0 HE2 LYS P 18 -14.672 0.224 17.081 1.00 5.07 H new ATOM 0 HE3 LYS P 18 -16.269 0.855 17.429 1.00 5.07 H new ATOM 0 HZ1 LYS P 18 -16.063 -1.245 18.456 1.00 5.70 H new ATOM 0 HZ2 LYS P 18 -17.124 -1.444 17.145 1.00 5.70 H new ATOM 0 HZ3 LYS P 18 -15.519 -1.985 17.028 1.00 5.70 H new ATOM 1241 N GLU P 19 -14.872 -0.726 9.812 1.00 2.38 N ATOM 1242 CA GLU P 19 -15.205 -0.874 8.400 1.00 2.31 C ATOM 1243 C GLU P 19 -14.513 -2.121 7.853 1.00 2.15 C ATOM 1244 O GLU P 19 -15.120 -2.888 7.102 1.00 2.16 O ATOM 1245 CB GLU P 19 -14.885 0.422 7.629 1.00 2.28 C ATOM 1246 CG GLU P 19 -15.036 0.372 6.092 1.00 2.15 C ATOM 1247 CD GLU P 19 -16.453 0.263 5.576 1.00 2.33 C ATOM 1248 OE1 GLU P 19 -17.370 0.005 6.378 1.00 2.69 O ATOM 1249 OE2 GLU P 19 -16.669 0.454 4.363 1.00 3.27 O ATOM 0 H GLU P 19 -14.317 0.103 10.024 1.00 2.38 H new ATOM 0 HA GLU P 19 -16.276 -1.026 8.267 1.00 2.31 H new ATOM 0 HB2 GLU P 19 -15.533 1.212 8.009 1.00 2.28 H new ATOM 0 HB3 GLU P 19 -13.860 0.711 7.861 1.00 2.28 H new ATOM 0 HG2 GLU P 19 -14.584 1.270 5.671 1.00 2.15 H new ATOM 0 HG3 GLU P 19 -14.466 -0.478 5.717 1.00 2.15 H new ATOM 1256 N PHE P 20 -13.257 -2.359 8.236 1.00 2.05 N ATOM 1257 CA PHE P 20 -12.562 -3.570 7.817 1.00 1.96 C ATOM 1258 C PHE P 20 -13.143 -4.819 8.486 1.00 2.22 C ATOM 1259 O PHE P 20 -13.037 -5.931 7.965 1.00 2.35 O ATOM 1260 CB PHE P 20 -11.050 -3.446 8.046 1.00 1.75 C ATOM 1261 CG PHE P 20 -10.202 -4.534 7.400 1.00 1.52 C ATOM 1262 CD1 PHE P 20 -10.570 -5.104 6.163 1.00 1.70 C ATOM 1263 CD2 PHE P 20 -9.078 -5.041 8.080 1.00 1.96 C ATOM 1264 CE1 PHE P 20 -9.925 -6.258 5.696 1.00 1.71 C ATOM 1265 CE2 PHE P 20 -8.385 -6.152 7.570 1.00 1.76 C ATOM 1266 CZ PHE P 20 -8.819 -6.775 6.386 1.00 1.23 C ATOM 0 H PHE P 20 -12.709 -1.735 8.828 1.00 2.05 H new ATOM 0 HA PHE P 20 -12.721 -3.688 6.745 1.00 1.96 H new ATOM 0 HB2 PHE P 20 -10.720 -2.479 7.667 1.00 1.75 H new ATOM 0 HB3 PHE P 20 -10.860 -3.450 9.119 1.00 1.75 H new ATOM 0 HD1 PHE P 20 -11.352 -4.649 5.573 1.00 1.70 H new ATOM 0 HD2 PHE P 20 -8.748 -4.575 8.996 1.00 1.96 H new ATOM 0 HE1 PHE P 20 -10.281 -6.750 4.803 1.00 1.71 H new ATOM 0 HE2 PHE P 20 -7.516 -6.529 8.089 1.00 1.76 H new ATOM 0 HZ PHE P 20 -8.303 -7.647 6.010 1.00 1.23 H new ATOM 1276 N HIS P 21 -13.749 -4.660 9.660 1.00 2.47 N ATOM 1277 CA HIS P 21 -14.463 -5.741 10.309 1.00 2.73 C ATOM 1278 C HIS P 21 -15.687 -6.094 9.458 1.00 2.75 C ATOM 1279 O HIS P 21 -15.856 -7.243 9.044 1.00 2.76 O ATOM 1280 CB HIS P 21 -14.811 -5.337 11.749 1.00 2.95 C ATOM 1281 CG HIS P 21 -14.953 -6.515 12.675 1.00 3.41 C ATOM 1282 ND1 HIS P 21 -14.062 -6.860 13.667 1.00 4.38 N ATOM 1283 CD2 HIS P 21 -15.912 -7.490 12.616 1.00 3.63 C ATOM 1284 CE1 HIS P 21 -14.472 -8.031 14.180 1.00 4.56 C ATOM 1285 NE2 HIS P 21 -15.604 -8.450 13.587 1.00 4.03 N ATOM 0 H HIS P 21 -13.756 -3.782 10.180 1.00 2.47 H new ATOM 0 HA HIS P 21 -13.849 -6.638 10.385 1.00 2.73 H new ATOM 0 HB2 HIS P 21 -14.035 -4.673 12.131 1.00 2.95 H new ATOM 0 HB3 HIS P 21 -15.742 -4.770 11.746 1.00 2.95 H new ATOM 0 HD2 HIS P 21 -16.755 -7.514 11.941 1.00 3.63 H new ATOM 0 HE1 HIS P 21 -13.960 -8.566 14.966 1.00 4.56 H new ATOM 0 HE2 HIS P 21 -16.131 -9.296 13.801 1.00 4.03 H new ATOM 1293 N PHE P 22 -16.511 -5.089 9.156 1.00 2.78 N ATOM 1294 CA PHE P 22 -17.726 -5.247 8.367 1.00 2.85 C ATOM 1295 C PHE P 22 -17.422 -5.835 6.988 1.00 2.75 C ATOM 1296 O PHE P 22 -18.124 -6.725 6.514 1.00 2.94 O ATOM 1297 CB PHE P 22 -18.428 -3.887 8.208 1.00 2.80 C ATOM 1298 CG PHE P 22 -19.894 -3.985 7.815 1.00 3.11 C ATOM 1299 CD1 PHE P 22 -20.259 -4.290 6.488 1.00 2.97 C ATOM 1300 CD2 PHE P 22 -20.897 -3.791 8.784 1.00 4.28 C ATOM 1301 CE1 PHE P 22 -21.612 -4.461 6.149 1.00 3.41 C ATOM 1302 CE2 PHE P 22 -22.252 -3.877 8.423 1.00 4.62 C ATOM 1303 CZ PHE P 22 -22.611 -4.224 7.109 1.00 3.95 C ATOM 0 H PHE P 22 -16.347 -4.129 9.459 1.00 2.78 H new ATOM 0 HA PHE P 22 -18.382 -5.939 8.895 1.00 2.85 H new ATOM 0 HB2 PHE P 22 -18.351 -3.339 9.147 1.00 2.80 H new ATOM 0 HB3 PHE P 22 -17.899 -3.304 7.454 1.00 2.80 H new ATOM 0 HD1 PHE P 22 -19.497 -4.393 5.730 1.00 2.97 H new ATOM 0 HD2 PHE P 22 -20.624 -3.576 9.807 1.00 4.28 H new ATOM 0 HE1 PHE P 22 -21.884 -4.774 5.152 1.00 3.41 H new ATOM 0 HE2 PHE P 22 -23.019 -3.676 9.156 1.00 4.62 H new ATOM 0 HZ PHE P 22 -23.653 -4.308 6.837 1.00 3.95 H new ATOM 1313 N ASN P 23 -16.436 -5.258 6.311 1.00 2.57 N ATOM 1314 CA ASN P 23 -16.269 -5.344 4.867 1.00 2.50 C ATOM 1315 C ASN P 23 -14.803 -5.599 4.532 1.00 2.28 C ATOM 1316 O ASN P 23 -13.936 -5.372 5.370 1.00 2.84 O ATOM 1317 CB ASN P 23 -16.774 -4.021 4.254 1.00 2.83 C ATOM 1318 CG ASN P 23 -15.698 -3.252 3.494 1.00 2.77 C ATOM 1319 OD1 ASN P 23 -15.675 -3.262 2.266 1.00 3.10 O ATOM 1320 ND2 ASN P 23 -14.782 -2.619 4.213 1.00 3.33 N ATOM 0 H ASN P 23 -15.711 -4.702 6.765 1.00 2.57 H new ATOM 0 HA ASN P 23 -16.843 -6.173 4.453 1.00 2.50 H new ATOM 0 HB2 ASN P 23 -17.602 -4.236 3.578 1.00 2.83 H new ATOM 0 HB3 ASN P 23 -17.168 -3.388 5.049 1.00 2.83 H new ATOM 0 HD21 ASN P 23 -14.025 -2.118 3.748 1.00 3.33 H new ATOM 0 HD22 ASN P 23 -14.834 -2.633 5.232 1.00 3.33 H new ATOM 1327 N ARG P 24 -14.501 -6.024 3.305 1.00 1.91 N ATOM 1328 CA ARG P 24 -13.148 -6.038 2.785 1.00 1.81 C ATOM 1329 C ARG P 24 -13.042 -5.080 1.599 1.00 1.83 C ATOM 1330 O ARG P 24 -12.163 -4.214 1.592 1.00 1.89 O ATOM 1331 CB ARG P 24 -12.773 -7.468 2.393 1.00 1.92 C ATOM 1332 CG ARG P 24 -12.789 -8.405 3.609 1.00 2.35 C ATOM 1333 CD ARG P 24 -11.985 -9.673 3.305 1.00 2.13 C ATOM 1334 NE ARG P 24 -12.520 -10.349 2.111 1.00 2.26 N ATOM 1335 CZ ARG P 24 -11.825 -10.952 1.135 1.00 2.97 C ATOM 1336 NH1 ARG P 24 -10.497 -11.072 1.222 1.00 4.11 N ATOM 1337 NH2 ARG P 24 -12.481 -11.409 0.071 1.00 3.94 N ATOM 0 H ARG P 24 -15.198 -6.369 2.645 1.00 1.91 H new ATOM 0 HA ARG P 24 -12.447 -5.700 3.548 1.00 1.81 H new ATOM 0 HB2 ARG P 24 -13.470 -7.835 1.640 1.00 1.92 H new ATOM 0 HB3 ARG P 24 -11.782 -7.475 1.940 1.00 1.92 H new ATOM 0 HG2 ARG P 24 -12.367 -7.896 4.476 1.00 2.35 H new ATOM 0 HG3 ARG P 24 -13.816 -8.668 3.862 1.00 2.35 H new ATOM 0 HD2 ARG P 24 -10.937 -9.417 3.147 1.00 2.13 H new ATOM 0 HD3 ARG P 24 -12.022 -10.348 4.160 1.00 2.13 H new ATOM 0 HE ARG P 24 -13.535 -10.360 2.015 1.00 2.26 H new ATOM 0 HH11 ARG P 24 -10.004 -10.704 2.035 1.00 4.11 H new ATOM 0 HH12 ARG P 24 -9.976 -11.532 0.475 1.00 4.11 H new ATOM 0 HH21 ARG P 24 -13.493 -11.298 0.009 1.00 3.94 H new ATOM 0 HH22 ARG P 24 -11.972 -11.871 -0.683 1.00 3.94 H new ATOM 1351 N TYR P 25 -13.884 -5.266 0.586 1.00 1.93 N ATOM 1352 CA TYR P 25 -13.865 -4.529 -0.666 1.00 2.03 C ATOM 1353 C TYR P 25 -14.852 -3.373 -0.595 1.00 2.00 C ATOM 1354 O TYR P 25 -16.060 -3.573 -0.748 1.00 2.32 O ATOM 1355 CB TYR P 25 -14.233 -5.460 -1.827 1.00 2.20 C ATOM 1356 CG TYR P 25 -13.430 -6.736 -1.947 1.00 2.46 C ATOM 1357 CD1 TYR P 25 -12.086 -6.788 -1.536 1.00 3.01 C ATOM 1358 CD2 TYR P 25 -14.045 -7.886 -2.477 1.00 3.57 C ATOM 1359 CE1 TYR P 25 -11.366 -7.984 -1.647 1.00 3.55 C ATOM 1360 CE2 TYR P 25 -13.300 -9.063 -2.644 1.00 4.04 C ATOM 1361 CZ TYR P 25 -11.948 -9.094 -2.276 1.00 3.59 C ATOM 1362 OH TYR P 25 -11.194 -10.178 -2.590 1.00 4.16 O ATOM 0 H TYR P 25 -14.627 -5.964 0.620 1.00 1.93 H new ATOM 0 HA TYR P 25 -12.863 -4.135 -0.834 1.00 2.03 H new ATOM 0 HB2 TYR P 25 -15.285 -5.727 -1.731 1.00 2.20 H new ATOM 0 HB3 TYR P 25 -14.129 -4.902 -2.758 1.00 2.20 H new ATOM 0 HD1 TYR P 25 -11.609 -5.906 -1.135 1.00 3.01 H new ATOM 0 HD2 TYR P 25 -15.088 -7.862 -2.755 1.00 3.57 H new ATOM 0 HE1 TYR P 25 -10.364 -8.051 -1.249 1.00 3.55 H new ATOM 0 HE2 TYR P 25 -13.768 -9.945 -3.056 1.00 4.04 H new ATOM 0 HH TYR P 25 -11.757 -10.855 -3.020 1.00 4.16 H new ATOM 1372 N LEU P 26 -14.367 -2.150 -0.393 1.00 2.05 N ATOM 1373 CA LEU P 26 -15.245 -0.992 -0.425 1.00 2.10 C ATOM 1374 C LEU P 26 -15.770 -0.851 -1.848 1.00 2.25 C ATOM 1375 O LEU P 26 -15.004 -0.979 -2.809 1.00 2.47 O ATOM 1376 CB LEU P 26 -14.510 0.289 -0.003 1.00 2.00 C ATOM 1377 CG LEU P 26 -14.379 0.400 1.524 1.00 2.04 C ATOM 1378 CD1 LEU P 26 -13.189 -0.416 2.011 1.00 2.16 C ATOM 1379 CD2 LEU P 26 -14.135 1.823 2.034 1.00 2.14 C ATOM 0 H LEU P 26 -13.386 -1.941 -0.208 1.00 2.05 H new ATOM 0 HA LEU P 26 -16.063 -1.136 0.281 1.00 2.10 H new ATOM 0 HB2 LEU P 26 -13.518 0.303 -0.454 1.00 2.00 H new ATOM 0 HB3 LEU P 26 -15.046 1.158 -0.385 1.00 2.00 H new ATOM 0 HG LEU P 26 -15.335 0.041 1.905 1.00 2.04 H new ATOM 0 HD11 LEU P 26 -13.107 -0.329 3.094 1.00 2.16 H new ATOM 0 HD12 LEU P 26 -13.330 -1.462 1.741 1.00 2.16 H new ATOM 0 HD13 LEU P 26 -12.277 -0.041 1.547 1.00 2.16 H new ATOM 0 HD21 LEU P 26 -14.055 1.811 3.121 1.00 2.14 H new ATOM 0 HD22 LEU P 26 -13.210 2.209 1.606 1.00 2.14 H new ATOM 0 HD23 LEU P 26 -14.966 2.463 1.738 1.00 2.14 H new ATOM 1391 N THR P 27 -17.061 -0.595 -2.007 1.00 2.33 N ATOM 1392 CA THR P 27 -17.588 -0.168 -3.287 1.00 2.42 C ATOM 1393 C THR P 27 -17.031 1.234 -3.542 1.00 2.39 C ATOM 1394 O THR P 27 -17.338 2.138 -2.774 1.00 2.65 O ATOM 1395 CB THR P 27 -19.126 -0.177 -3.249 1.00 2.61 C ATOM 1396 OG1 THR P 27 -19.584 -1.318 -2.546 1.00 3.34 O ATOM 1397 CG2 THR P 27 -19.703 -0.217 -4.666 1.00 2.78 C ATOM 0 H THR P 27 -17.757 -0.676 -1.266 1.00 2.33 H new ATOM 0 HA THR P 27 -17.292 -0.838 -4.094 1.00 2.42 H new ATOM 0 HB THR P 27 -19.456 0.733 -2.748 1.00 2.61 H new ATOM 0 HG1 THR P 27 -20.564 -1.317 -2.524 1.00 3.34 H new ATOM 0 HG21 THR P 27 -20.792 -0.223 -4.615 1.00 2.78 H new ATOM 0 HG22 THR P 27 -19.370 0.661 -5.219 1.00 2.78 H new ATOM 0 HG23 THR P 27 -19.359 -1.118 -5.174 1.00 2.78 H new ATOM 1405 N ARG P 28 -16.204 1.396 -4.578 1.00 2.57 N ATOM 1406 CA ARG P 28 -15.786 2.654 -5.174 1.00 2.47 C ATOM 1407 C ARG P 28 -15.891 3.850 -4.223 1.00 2.64 C ATOM 1408 O ARG P 28 -15.008 4.071 -3.390 1.00 3.11 O ATOM 1409 CB ARG P 28 -16.562 2.802 -6.498 1.00 2.74 C ATOM 1410 CG ARG P 28 -16.358 4.080 -7.320 1.00 2.84 C ATOM 1411 CD ARG P 28 -14.888 4.482 -7.430 1.00 2.99 C ATOM 1412 NE ARG P 28 -14.752 5.628 -8.334 1.00 3.43 N ATOM 1413 CZ ARG P 28 -13.796 6.558 -8.278 1.00 4.16 C ATOM 1414 NH1 ARG P 28 -12.798 6.426 -7.414 1.00 5.45 N ATOM 1415 NH2 ARG P 28 -13.849 7.613 -9.083 1.00 4.56 N ATOM 0 H ARG P 28 -15.784 0.595 -5.049 1.00 2.57 H new ATOM 0 HA ARG P 28 -14.717 2.640 -5.388 1.00 2.47 H new ATOM 0 HB2 ARG P 28 -16.303 1.954 -7.132 1.00 2.74 H new ATOM 0 HB3 ARG P 28 -17.625 2.718 -6.272 1.00 2.74 H new ATOM 0 HG2 ARG P 28 -16.766 3.933 -8.320 1.00 2.84 H new ATOM 0 HG3 ARG P 28 -16.920 4.895 -6.863 1.00 2.84 H new ATOM 0 HD2 ARG P 28 -14.496 4.736 -6.445 1.00 2.99 H new ATOM 0 HD3 ARG P 28 -14.299 3.643 -7.801 1.00 2.99 H new ATOM 0 HE ARG P 28 -15.450 5.723 -9.072 1.00 3.43 H new ATOM 0 HH11 ARG P 28 -12.763 5.616 -6.795 1.00 5.45 H new ATOM 0 HH12 ARG P 28 -12.066 7.135 -7.368 1.00 5.45 H new ATOM 0 HH21 ARG P 28 -14.620 7.712 -9.744 1.00 4.56 H new ATOM 0 HH22 ARG P 28 -13.119 8.324 -9.041 1.00 4.56 H new ATOM 1429 N ARG P 29 -16.972 4.613 -4.339 1.00 2.73 N ATOM 1430 CA ARG P 29 -17.070 5.931 -3.736 1.00 3.04 C ATOM 1431 C ARG P 29 -17.190 5.845 -2.220 1.00 2.95 C ATOM 1432 O ARG P 29 -16.862 6.816 -1.546 1.00 3.54 O ATOM 1433 CB ARG P 29 -18.206 6.737 -4.382 1.00 3.62 C ATOM 1434 CG ARG P 29 -17.636 7.702 -5.432 1.00 4.61 C ATOM 1435 CD ARG P 29 -18.726 8.258 -6.354 1.00 4.77 C ATOM 1436 NE ARG P 29 -19.083 7.320 -7.423 1.00 5.23 N ATOM 1437 CZ ARG P 29 -18.518 7.305 -8.641 1.00 6.49 C ATOM 1438 NH1 ARG P 29 -17.411 8.014 -8.875 1.00 7.75 N ATOM 1439 NH2 ARG P 29 -19.057 6.566 -9.607 1.00 7.21 N ATOM 0 H ARG P 29 -17.805 4.332 -4.856 1.00 2.73 H new ATOM 0 HA ARG P 29 -16.144 6.472 -3.933 1.00 3.04 H new ATOM 0 HB2 ARG P 29 -18.922 6.061 -4.849 1.00 3.62 H new ATOM 0 HB3 ARG P 29 -18.746 7.296 -3.618 1.00 3.62 H new ATOM 0 HG2 ARG P 29 -17.131 8.527 -4.930 1.00 4.61 H new ATOM 0 HG3 ARG P 29 -16.885 7.185 -6.029 1.00 4.61 H new ATOM 0 HD2 ARG P 29 -19.614 8.489 -5.765 1.00 4.77 H new ATOM 0 HD3 ARG P 29 -18.383 9.194 -6.795 1.00 4.77 H new ATOM 0 HE ARG P 29 -19.810 6.632 -7.228 1.00 5.23 H new ATOM 0 HH11 ARG P 29 -16.993 8.568 -8.128 1.00 7.75 H new ATOM 0 HH12 ARG P 29 -16.983 8.001 -9.801 1.00 7.75 H new ATOM 0 HH21 ARG P 29 -19.895 6.015 -9.420 1.00 7.21 H new ATOM 0 HH22 ARG P 29 -18.632 6.550 -10.534 1.00 7.21 H new ATOM 1453 N ARG P 30 -17.564 4.696 -1.647 1.00 2.57 N ATOM 1454 CA ARG P 30 -17.477 4.494 -0.200 1.00 2.42 C ATOM 1455 C ARG P 30 -16.114 4.981 0.302 1.00 2.25 C ATOM 1456 O ARG P 30 -16.051 5.650 1.324 1.00 2.23 O ATOM 1457 CB ARG P 30 -17.682 3.004 0.148 1.00 2.44 C ATOM 1458 CG ARG P 30 -17.563 2.618 1.632 1.00 3.06 C ATOM 1459 CD ARG P 30 -18.707 3.071 2.536 1.00 3.06 C ATOM 1460 NE ARG P 30 -18.552 2.467 3.874 1.00 3.05 N ATOM 1461 CZ ARG P 30 -19.301 2.761 4.947 1.00 3.28 C ATOM 1462 NH1 ARG P 30 -20.213 3.731 4.878 1.00 3.60 N ATOM 1463 NH2 ARG P 30 -19.137 2.074 6.079 1.00 3.90 N ATOM 0 H ARG P 30 -17.929 3.895 -2.163 1.00 2.57 H new ATOM 0 HA ARG P 30 -18.263 5.068 0.291 1.00 2.42 H new ATOM 0 HB2 ARG P 30 -18.670 2.706 -0.203 1.00 2.44 H new ATOM 0 HB3 ARG P 30 -16.954 2.420 -0.415 1.00 2.44 H new ATOM 0 HG2 ARG P 30 -17.481 1.533 1.699 1.00 3.06 H new ATOM 0 HG3 ARG P 30 -16.633 3.032 2.021 1.00 3.06 H new ATOM 0 HD2 ARG P 30 -18.712 4.158 2.615 1.00 3.06 H new ATOM 0 HD3 ARG P 30 -19.663 2.779 2.103 1.00 3.06 H new ATOM 0 HE ARG P 30 -17.816 1.770 3.992 1.00 3.05 H new ATOM 0 HH11 ARG P 30 -20.341 4.250 4.009 1.00 3.60 H new ATOM 0 HH12 ARG P 30 -20.783 3.954 5.694 1.00 3.60 H new ATOM 0 HH21 ARG P 30 -18.443 1.328 6.127 1.00 3.90 H new ATOM 0 HH22 ARG P 30 -19.705 2.295 6.897 1.00 3.90 H new ATOM 1477 N ARG P 31 -15.018 4.694 -0.410 1.00 2.22 N ATOM 1478 CA ARG P 31 -13.702 5.128 0.043 1.00 2.18 C ATOM 1479 C ARG P 31 -13.608 6.658 0.137 1.00 2.21 C ATOM 1480 O ARG P 31 -12.979 7.181 1.054 1.00 2.20 O ATOM 1481 CB ARG P 31 -12.599 4.568 -0.857 1.00 2.40 C ATOM 1482 CG ARG P 31 -12.727 3.048 -1.030 1.00 1.99 C ATOM 1483 CD ARG P 31 -11.373 2.332 -1.099 1.00 1.73 C ATOM 1484 NE ARG P 31 -10.423 3.052 -1.951 1.00 1.96 N ATOM 1485 CZ ARG P 31 -10.608 3.306 -3.257 1.00 2.77 C ATOM 1486 NH1 ARG P 31 -11.618 2.732 -3.903 1.00 3.32 N ATOM 1487 NH2 ARG P 31 -9.782 4.125 -3.901 1.00 4.14 N ATOM 0 H ARG P 31 -15.020 4.172 -1.286 1.00 2.22 H new ATOM 0 HA ARG P 31 -13.558 4.729 1.047 1.00 2.18 H new ATOM 0 HB2 ARG P 31 -12.645 5.051 -1.833 1.00 2.40 H new ATOM 0 HB3 ARG P 31 -11.625 4.805 -0.430 1.00 2.40 H new ATOM 0 HG2 ARG P 31 -13.304 2.642 -0.199 1.00 1.99 H new ATOM 0 HG3 ARG P 31 -13.288 2.838 -1.940 1.00 1.99 H new ATOM 0 HD2 ARG P 31 -10.961 2.235 -0.095 1.00 1.73 H new ATOM 0 HD3 ARG P 31 -11.514 1.322 -1.484 1.00 1.73 H new ATOM 0 HE ARG P 31 -9.559 3.384 -1.522 1.00 1.96 H new ATOM 0 HH11 ARG P 31 -12.248 2.102 -3.407 1.00 3.32 H new ATOM 0 HH12 ARG P 31 -11.763 2.922 -4.895 1.00 3.32 H new ATOM 0 HH21 ARG P 31 -9.006 4.562 -3.403 1.00 4.14 H new ATOM 0 HH22 ARG P 31 -9.924 4.317 -4.893 1.00 4.14 H new ATOM 1501 N ILE P 32 -14.215 7.376 -0.804 1.00 2.31 N ATOM 1502 CA ILE P 32 -14.261 8.833 -0.822 1.00 2.34 C ATOM 1503 C ILE P 32 -15.132 9.330 0.333 1.00 2.27 C ATOM 1504 O ILE P 32 -14.744 10.243 1.059 1.00 2.26 O ATOM 1505 CB ILE P 32 -14.733 9.300 -2.216 1.00 2.48 C ATOM 1506 CG1 ILE P 32 -13.555 9.116 -3.186 1.00 2.77 C ATOM 1507 CG2 ILE P 32 -15.202 10.759 -2.229 1.00 2.45 C ATOM 1508 CD1 ILE P 32 -13.924 9.272 -4.659 1.00 2.95 C ATOM 0 H ILE P 32 -14.700 6.949 -1.594 1.00 2.31 H new ATOM 0 HA ILE P 32 -13.274 9.268 -0.664 1.00 2.34 H new ATOM 0 HB ILE P 32 -15.596 8.703 -2.512 1.00 2.48 H new ATOM 0 HG12 ILE P 32 -12.780 9.841 -2.939 1.00 2.77 H new ATOM 0 HG13 ILE P 32 -13.126 8.126 -3.034 1.00 2.77 H new ATOM 0 HG21 ILE P 32 -15.521 11.030 -3.235 1.00 2.45 H new ATOM 0 HG22 ILE P 32 -16.037 10.879 -1.539 1.00 2.45 H new ATOM 0 HG23 ILE P 32 -14.382 11.408 -1.922 1.00 2.45 H new ATOM 0 HD11 ILE P 32 -13.036 9.127 -5.274 1.00 2.95 H new ATOM 0 HD12 ILE P 32 -14.676 8.529 -4.926 1.00 2.95 H new ATOM 0 HD13 ILE P 32 -14.324 10.271 -4.830 1.00 2.95 H new ATOM 1520 N GLU P 33 -16.300 8.724 0.523 1.00 2.28 N ATOM 1521 CA GLU P 33 -17.212 9.105 1.585 1.00 2.32 C ATOM 1522 C GLU P 33 -16.531 8.933 2.957 1.00 2.22 C ATOM 1523 O GLU P 33 -16.511 9.876 3.752 1.00 2.29 O ATOM 1524 CB GLU P 33 -18.525 8.328 1.404 1.00 2.43 C ATOM 1525 CG GLU P 33 -19.135 8.668 0.025 1.00 2.59 C ATOM 1526 CD GLU P 33 -20.452 7.980 -0.248 1.00 2.80 C ATOM 1527 OE1 GLU P 33 -21.214 7.797 0.721 1.00 3.50 O ATOM 1528 OE2 GLU P 33 -20.752 7.729 -1.437 1.00 3.39 O ATOM 0 H GLU P 33 -16.637 7.956 -0.057 1.00 2.28 H new ATOM 0 HA GLU P 33 -17.471 10.163 1.537 1.00 2.32 H new ATOM 0 HB2 GLU P 33 -18.340 7.256 1.478 1.00 2.43 H new ATOM 0 HB3 GLU P 33 -19.226 8.586 2.198 1.00 2.43 H new ATOM 0 HG2 GLU P 33 -19.279 9.746 -0.042 1.00 2.59 H new ATOM 0 HG3 GLU P 33 -18.424 8.392 -0.754 1.00 2.59 H new ATOM 1535 N ILE P 34 -15.914 7.771 3.181 1.00 2.10 N ATOM 1536 CA ILE P 34 -15.045 7.478 4.319 1.00 2.00 C ATOM 1537 C ILE P 34 -14.002 8.585 4.448 1.00 1.93 C ATOM 1538 O ILE P 34 -13.857 9.197 5.500 1.00 1.99 O ATOM 1539 CB ILE P 34 -14.346 6.117 4.103 1.00 1.84 C ATOM 1540 CG1 ILE P 34 -15.342 4.948 4.083 1.00 2.12 C ATOM 1541 CG2 ILE P 34 -13.209 5.861 5.110 1.00 1.69 C ATOM 1542 CD1 ILE P 34 -15.508 4.288 5.443 1.00 2.20 C ATOM 0 H ILE P 34 -16.011 6.977 2.548 1.00 2.10 H new ATOM 0 HA ILE P 34 -15.638 7.429 5.232 1.00 2.00 H new ATOM 0 HB ILE P 34 -13.887 6.176 3.116 1.00 1.84 H new ATOM 0 HG12 ILE P 34 -16.311 5.309 3.739 1.00 2.12 H new ATOM 0 HG13 ILE P 34 -15.006 4.203 3.362 1.00 2.12 H new ATOM 0 HG21 ILE P 34 -12.756 4.890 4.908 1.00 1.69 H new ATOM 0 HG22 ILE P 34 -12.454 6.641 5.012 1.00 1.69 H new ATOM 0 HG23 ILE P 34 -13.611 5.870 6.123 1.00 1.69 H new ATOM 0 HD11 ILE P 34 -16.224 3.470 5.365 1.00 2.20 H new ATOM 0 HD12 ILE P 34 -14.547 3.899 5.778 1.00 2.20 H new ATOM 0 HD13 ILE P 34 -15.873 5.022 6.162 1.00 2.20 H new ATOM 1554 N ALA P 35 -13.239 8.806 3.378 1.00 1.85 N ATOM 1555 CA ALA P 35 -12.167 9.796 3.350 1.00 1.83 C ATOM 1556 C ALA P 35 -12.641 11.143 3.892 1.00 1.99 C ATOM 1557 O ALA P 35 -12.013 11.691 4.794 1.00 2.07 O ATOM 1558 CB ALA P 35 -11.580 9.957 1.944 1.00 1.80 C ATOM 0 H ALA P 35 -13.350 8.298 2.500 1.00 1.85 H new ATOM 0 HA ALA P 35 -11.375 9.426 4.001 1.00 1.83 H new ATOM 0 HB1 ALA P 35 -10.785 10.703 1.965 1.00 1.80 H new ATOM 0 HB2 ALA P 35 -11.174 9.003 1.608 1.00 1.80 H new ATOM 0 HB3 ALA P 35 -12.363 10.280 1.258 1.00 1.80 H new ATOM 1564 N HIS P 36 -13.738 11.669 3.346 1.00 2.06 N ATOM 1565 CA HIS P 36 -14.317 12.924 3.797 1.00 2.19 C ATOM 1566 C HIS P 36 -14.656 12.834 5.291 1.00 2.26 C ATOM 1567 O HIS P 36 -14.221 13.670 6.084 1.00 2.33 O ATOM 1568 CB HIS P 36 -15.559 13.269 2.960 1.00 2.29 C ATOM 1569 CG HIS P 36 -15.364 13.371 1.462 1.00 2.17 C ATOM 1570 ND1 HIS P 36 -16.381 13.402 0.532 1.00 2.53 N ATOM 1571 CD2 HIS P 36 -14.181 13.527 0.784 1.00 2.71 C ATOM 1572 CE1 HIS P 36 -15.818 13.603 -0.672 1.00 2.56 C ATOM 1573 NE2 HIS P 36 -14.477 13.695 -0.577 1.00 2.37 N ATOM 0 H HIS P 36 -14.247 11.232 2.578 1.00 2.06 H new ATOM 0 HA HIS P 36 -13.592 13.726 3.660 1.00 2.19 H new ATOM 0 HB2 HIS P 36 -16.320 12.513 3.153 1.00 2.29 H new ATOM 0 HB3 HIS P 36 -15.956 14.219 3.317 1.00 2.29 H new ATOM 0 HD2 HIS P 36 -13.194 13.521 1.222 1.00 2.71 H new ATOM 0 HE1 HIS P 36 -16.370 13.681 -1.597 1.00 2.56 H new ATOM 0 HE2 HIS P 36 -13.815 13.854 -1.337 1.00 2.37 H new ATOM 1581 N ALA P 37 -15.381 11.781 5.682 1.00 2.29 N ATOM 1582 CA ALA P 37 -15.804 11.549 7.059 1.00 2.40 C ATOM 1583 C ALA P 37 -14.623 11.644 8.025 1.00 2.35 C ATOM 1584 O ALA P 37 -14.647 12.416 8.985 1.00 2.51 O ATOM 1585 CB ALA P 37 -16.527 10.201 7.176 1.00 2.42 C ATOM 0 H ALA P 37 -15.694 11.056 5.036 1.00 2.29 H new ATOM 0 HA ALA P 37 -16.508 12.332 7.340 1.00 2.40 H new ATOM 0 HB1 ALA P 37 -16.836 10.042 8.209 1.00 2.42 H new ATOM 0 HB2 ALA P 37 -17.405 10.202 6.530 1.00 2.42 H new ATOM 0 HB3 ALA P 37 -15.854 9.399 6.872 1.00 2.42 H new ATOM 1591 N LEU P 38 -13.565 10.881 7.763 1.00 2.18 N ATOM 1592 CA LEU P 38 -12.349 10.890 8.565 1.00 2.14 C ATOM 1593 C LEU P 38 -11.550 12.179 8.371 1.00 2.14 C ATOM 1594 O LEU P 38 -10.731 12.509 9.227 1.00 2.21 O ATOM 1595 CB LEU P 38 -11.485 9.665 8.235 1.00 1.98 C ATOM 1596 CG LEU P 38 -12.203 8.328 8.490 1.00 2.00 C ATOM 1597 CD1 LEU P 38 -11.188 7.184 8.537 1.00 2.01 C ATOM 1598 CD2 LEU P 38 -12.988 8.317 9.801 1.00 2.16 C ATOM 0 H LEU P 38 -13.530 10.232 6.977 1.00 2.18 H new ATOM 0 HA LEU P 38 -12.644 10.844 9.613 1.00 2.14 H new ATOM 0 HB2 LEU P 38 -11.183 9.713 7.189 1.00 1.98 H new ATOM 0 HB3 LEU P 38 -10.574 9.700 8.832 1.00 1.98 H new ATOM 0 HG LEU P 38 -12.905 8.198 7.666 1.00 2.00 H new ATOM 0 HD11 LEU P 38 -11.708 6.243 8.718 1.00 2.01 H new ATOM 0 HD12 LEU P 38 -10.658 7.129 7.586 1.00 2.01 H new ATOM 0 HD13 LEU P 38 -10.474 7.364 9.340 1.00 2.01 H new ATOM 0 HD21 LEU P 38 -13.473 7.349 9.927 1.00 2.16 H new ATOM 0 HD22 LEU P 38 -12.307 8.493 10.634 1.00 2.16 H new ATOM 0 HD23 LEU P 38 -13.744 9.101 9.779 1.00 2.16 H new ATOM 1610 N SER P 39 -11.781 12.891 7.269 1.00 2.12 N ATOM 1611 CA SER P 39 -11.057 14.082 6.859 1.00 2.11 C ATOM 1612 C SER P 39 -9.613 13.732 6.507 1.00 1.92 C ATOM 1613 O SER P 39 -8.662 14.379 6.950 1.00 1.91 O ATOM 1614 CB SER P 39 -11.228 15.208 7.882 1.00 2.32 C ATOM 1615 OG SER P 39 -12.616 15.525 7.955 1.00 2.41 O ATOM 0 H SER P 39 -12.516 12.636 6.609 1.00 2.12 H new ATOM 0 HA SER P 39 -11.485 14.482 5.940 1.00 2.11 H new ATOM 0 HB2 SER P 39 -10.856 14.897 8.858 1.00 2.32 H new ATOM 0 HB3 SER P 39 -10.651 16.084 7.585 1.00 2.32 H new ATOM 0 HG SER P 39 -13.107 15.000 7.289 1.00 2.41 H new ATOM 1621 N LEU P 40 -9.475 12.726 5.647 1.00 1.82 N ATOM 1622 CA LEU P 40 -8.253 12.361 4.952 1.00 1.65 C ATOM 1623 C LEU P 40 -8.509 12.593 3.458 1.00 1.67 C ATOM 1624 O LEU P 40 -9.342 13.427 3.094 1.00 2.17 O ATOM 1625 CB LEU P 40 -7.928 10.892 5.276 1.00 1.53 C ATOM 1626 CG LEU P 40 -7.659 10.637 6.769 1.00 1.59 C ATOM 1627 CD1 LEU P 40 -7.515 9.127 6.983 1.00 1.60 C ATOM 1628 CD2 LEU P 40 -6.387 11.357 7.238 1.00 1.69 C ATOM 0 H LEU P 40 -10.255 12.115 5.407 1.00 1.82 H new ATOM 0 HA LEU P 40 -7.393 12.956 5.260 1.00 1.65 H new ATOM 0 HB2 LEU P 40 -8.759 10.265 4.952 1.00 1.53 H new ATOM 0 HB3 LEU P 40 -7.054 10.586 4.700 1.00 1.53 H new ATOM 0 HG LEU P 40 -8.492 11.028 7.354 1.00 1.59 H new ATOM 0 HD11 LEU P 40 -7.324 8.926 8.037 1.00 1.60 H new ATOM 0 HD12 LEU P 40 -8.435 8.627 6.679 1.00 1.60 H new ATOM 0 HD13 LEU P 40 -6.684 8.752 6.385 1.00 1.60 H new ATOM 0 HD21 LEU P 40 -6.225 11.157 8.297 1.00 1.69 H new ATOM 0 HD22 LEU P 40 -5.533 10.996 6.666 1.00 1.69 H new ATOM 0 HD23 LEU P 40 -6.499 12.430 7.085 1.00 1.69 H new ATOM 1640 N THR P 41 -7.834 11.850 2.578 1.00 1.33 N ATOM 1641 CA THR P 41 -8.168 11.798 1.165 1.00 1.40 C ATOM 1642 C THR P 41 -8.317 10.335 0.769 1.00 1.19 C ATOM 1643 O THR P 41 -7.857 9.448 1.492 1.00 1.13 O ATOM 1644 CB THR P 41 -7.125 12.545 0.325 1.00 1.67 C ATOM 1645 OG1 THR P 41 -5.860 11.926 0.430 1.00 1.60 O ATOM 1646 CG2 THR P 41 -7.003 14.001 0.783 1.00 2.18 C ATOM 0 H THR P 41 -7.037 11.267 2.834 1.00 1.33 H new ATOM 0 HA THR P 41 -9.113 12.307 0.973 1.00 1.40 H new ATOM 0 HB THR P 41 -7.458 12.516 -0.713 1.00 1.67 H new ATOM 0 HG1 THR P 41 -5.620 11.831 1.375 1.00 1.60 H new ATOM 0 HG21 THR P 41 -6.258 14.513 0.174 1.00 2.18 H new ATOM 0 HG22 THR P 41 -7.966 14.499 0.672 1.00 2.18 H new ATOM 0 HG23 THR P 41 -6.698 14.029 1.829 1.00 2.18 H new ATOM 1654 N GLU P 42 -8.973 10.064 -0.357 1.00 1.27 N ATOM 1655 CA GLU P 42 -9.242 8.699 -0.786 1.00 1.30 C ATOM 1656 C GLU P 42 -7.972 7.854 -0.941 1.00 1.02 C ATOM 1657 O GLU P 42 -7.990 6.680 -0.561 1.00 0.94 O ATOM 1658 CB GLU P 42 -10.148 8.679 -2.022 1.00 1.70 C ATOM 1659 CG GLU P 42 -10.009 9.847 -3.010 1.00 1.80 C ATOM 1660 CD GLU P 42 -8.611 9.982 -3.561 1.00 3.04 C ATOM 1661 OE1 GLU P 42 -8.286 9.247 -4.521 1.00 3.53 O ATOM 1662 OE2 GLU P 42 -7.879 10.832 -3.014 1.00 4.30 O ATOM 0 H GLU P 42 -9.329 10.779 -0.991 1.00 1.27 H new ATOM 0 HA GLU P 42 -9.794 8.210 0.016 1.00 1.30 H new ATOM 0 HB2 GLU P 42 -9.960 7.753 -2.565 1.00 1.70 H new ATOM 0 HB3 GLU P 42 -11.183 8.645 -1.682 1.00 1.70 H new ATOM 0 HG2 GLU P 42 -10.708 9.705 -3.834 1.00 1.80 H new ATOM 0 HG3 GLU P 42 -10.289 10.775 -2.511 1.00 1.80 H new ATOM 1669 N ARG P 43 -6.871 8.458 -1.417 1.00 0.99 N ATOM 1670 CA ARG P 43 -5.549 7.836 -1.386 1.00 0.92 C ATOM 1671 C ARG P 43 -5.344 7.038 -0.098 1.00 0.72 C ATOM 1672 O ARG P 43 -5.200 5.816 -0.153 1.00 0.58 O ATOM 1673 CB ARG P 43 -4.402 8.844 -1.606 1.00 1.05 C ATOM 1674 CG ARG P 43 -3.037 8.115 -1.654 1.00 1.07 C ATOM 1675 CD ARG P 43 -1.813 9.027 -1.437 1.00 1.20 C ATOM 1676 NE ARG P 43 -1.321 9.752 -2.626 1.00 1.60 N ATOM 1677 CZ ARG P 43 -1.659 11.005 -2.974 1.00 2.38 C ATOM 1678 NH1 ARG P 43 -2.419 11.737 -2.164 1.00 2.70 N ATOM 1679 NH2 ARG P 43 -1.265 11.531 -4.139 1.00 3.98 N ATOM 0 H ARG P 43 -6.878 9.390 -1.832 1.00 0.99 H new ATOM 0 HA ARG P 43 -5.515 7.145 -2.228 1.00 0.92 H new ATOM 0 HB2 ARG P 43 -4.563 9.388 -2.537 1.00 1.05 H new ATOM 0 HB3 ARG P 43 -4.399 9.581 -0.803 1.00 1.05 H new ATOM 0 HG2 ARG P 43 -3.031 7.334 -0.894 1.00 1.07 H new ATOM 0 HG3 ARG P 43 -2.938 7.620 -2.620 1.00 1.07 H new ATOM 0 HD2 ARG P 43 -2.063 9.759 -0.669 1.00 1.20 H new ATOM 0 HD3 ARG P 43 -0.998 8.419 -1.045 1.00 1.20 H new ATOM 0 HE ARG P 43 -0.668 9.259 -3.235 1.00 1.60 H new ATOM 0 HH11 ARG P 43 -2.745 11.347 -1.280 1.00 2.70 H new ATOM 0 HH12 ARG P 43 -2.676 12.688 -2.427 1.00 2.70 H new ATOM 0 HH21 ARG P 43 -0.697 10.979 -4.782 1.00 3.98 H new ATOM 0 HH22 ARG P 43 -1.532 12.484 -4.385 1.00 3.98 H new ATOM 1693 N GLN P 44 -5.346 7.735 1.035 1.00 0.77 N ATOM 1694 CA GLN P 44 -5.087 7.134 2.325 1.00 0.73 C ATOM 1695 C GLN P 44 -5.955 5.903 2.536 1.00 0.67 C ATOM 1696 O GLN P 44 -5.453 4.864 2.961 1.00 0.67 O ATOM 1697 CB GLN P 44 -5.389 8.115 3.477 1.00 0.94 C ATOM 1698 CG GLN P 44 -4.307 9.149 3.792 1.00 1.41 C ATOM 1699 CD GLN P 44 -4.322 10.290 2.795 1.00 1.68 C ATOM 1700 OE1 GLN P 44 -5.022 11.283 2.991 1.00 2.24 O ATOM 1701 NE2 GLN P 44 -3.583 10.159 1.709 1.00 2.88 N ATOM 0 H GLN P 44 -5.529 8.738 1.076 1.00 0.77 H new ATOM 0 HA GLN P 44 -4.031 6.864 2.332 1.00 0.73 H new ATOM 0 HB2 GLN P 44 -6.311 8.647 3.240 1.00 0.94 H new ATOM 0 HB3 GLN P 44 -5.579 7.534 4.379 1.00 0.94 H new ATOM 0 HG2 GLN P 44 -4.459 9.541 4.798 1.00 1.41 H new ATOM 0 HG3 GLN P 44 -3.329 8.668 3.782 1.00 1.41 H new ATOM 0 HE21 GLN P 44 -3.014 9.323 1.577 1.00 2.88 H new ATOM 0 HE22 GLN P 44 -3.581 10.894 1.002 1.00 2.88 H new ATOM 1710 N ILE P 45 -7.256 6.036 2.300 1.00 0.78 N ATOM 1711 CA ILE P 45 -8.202 4.972 2.583 1.00 0.86 C ATOM 1712 C ILE P 45 -7.862 3.762 1.712 1.00 0.78 C ATOM 1713 O ILE P 45 -7.832 2.624 2.178 1.00 0.97 O ATOM 1714 CB ILE P 45 -9.642 5.463 2.362 1.00 1.03 C ATOM 1715 CG1 ILE P 45 -9.961 6.768 3.115 1.00 1.20 C ATOM 1716 CG2 ILE P 45 -10.623 4.363 2.780 1.00 1.12 C ATOM 1717 CD1 ILE P 45 -9.635 6.736 4.612 1.00 1.29 C ATOM 0 H ILE P 45 -7.678 6.879 1.910 1.00 0.78 H new ATOM 0 HA ILE P 45 -8.130 4.672 3.628 1.00 0.86 H new ATOM 0 HB ILE P 45 -9.747 5.686 1.300 1.00 1.03 H new ATOM 0 HG12 ILE P 45 -9.405 7.584 2.653 1.00 1.20 H new ATOM 0 HG13 ILE P 45 -11.020 6.994 2.992 1.00 1.20 H new ATOM 0 HG21 ILE P 45 -11.645 4.709 2.624 1.00 1.12 H new ATOM 0 HG22 ILE P 45 -10.446 3.471 2.180 1.00 1.12 H new ATOM 0 HG23 ILE P 45 -10.477 4.126 3.834 1.00 1.12 H new ATOM 0 HD11 ILE P 45 -9.892 7.696 5.061 1.00 1.29 H new ATOM 0 HD12 ILE P 45 -10.211 5.945 5.093 1.00 1.29 H new ATOM 0 HD13 ILE P 45 -8.571 6.545 4.749 1.00 1.29 H new ATOM 1729 N LYS P 46 -7.609 3.996 0.422 1.00 0.70 N ATOM 1730 CA LYS P 46 -7.195 2.951 -0.504 1.00 0.66 C ATOM 1731 C LYS P 46 -6.001 2.204 0.079 1.00 0.50 C ATOM 1732 O LYS P 46 -6.085 0.992 0.273 1.00 0.51 O ATOM 1733 CB LYS P 46 -6.911 3.570 -1.878 1.00 0.91 C ATOM 1734 CG LYS P 46 -6.742 2.578 -3.042 1.00 1.12 C ATOM 1735 CD LYS P 46 -5.265 2.282 -3.337 1.00 1.97 C ATOM 1736 CE LYS P 46 -5.101 1.497 -4.646 1.00 2.20 C ATOM 1737 NZ LYS P 46 -3.697 1.470 -5.116 1.00 3.05 N ATOM 0 H LYS P 46 -7.687 4.919 -0.006 1.00 0.70 H new ATOM 0 HA LYS P 46 -7.989 2.218 -0.646 1.00 0.66 H new ATOM 0 HB2 LYS P 46 -7.726 4.252 -2.123 1.00 0.91 H new ATOM 0 HB3 LYS P 46 -6.004 4.170 -1.804 1.00 0.91 H new ATOM 0 HG2 LYS P 46 -7.257 1.648 -2.803 1.00 1.12 H new ATOM 0 HG3 LYS P 46 -7.216 2.984 -3.936 1.00 1.12 H new ATOM 0 HD2 LYS P 46 -4.711 3.218 -3.401 1.00 1.97 H new ATOM 0 HD3 LYS P 46 -4.835 1.712 -2.513 1.00 1.97 H new ATOM 0 HE2 LYS P 46 -5.452 0.475 -4.500 1.00 2.20 H new ATOM 0 HE3 LYS P 46 -5.730 1.944 -5.416 1.00 2.20 H new ATOM 0 HZ1 LYS P 46 -3.669 1.160 -6.108 1.00 3.05 H new ATOM 0 HZ2 LYS P 46 -3.287 2.423 -5.039 1.00 3.05 H new ATOM 0 HZ3 LYS P 46 -3.148 0.809 -4.531 1.00 3.05 H new ATOM 1751 N ILE P 47 -4.928 2.923 0.405 1.00 0.50 N ATOM 1752 CA ILE P 47 -3.716 2.302 0.929 1.00 0.53 C ATOM 1753 C ILE P 47 -4.027 1.498 2.182 1.00 0.54 C ATOM 1754 O ILE P 47 -3.611 0.348 2.295 1.00 0.66 O ATOM 1755 CB ILE P 47 -2.603 3.334 1.179 1.00 0.61 C ATOM 1756 CG1 ILE P 47 -2.270 4.161 -0.074 1.00 0.58 C ATOM 1757 CG2 ILE P 47 -1.338 2.596 1.634 1.00 0.91 C ATOM 1758 CD1 ILE P 47 -2.306 3.315 -1.342 1.00 0.82 C ATOM 0 H ILE P 47 -4.875 3.938 0.315 1.00 0.50 H new ATOM 0 HA ILE P 47 -3.339 1.616 0.171 1.00 0.53 H new ATOM 0 HB ILE P 47 -2.960 4.024 1.944 1.00 0.61 H new ATOM 0 HG12 ILE P 47 -2.981 4.982 -0.166 1.00 0.58 H new ATOM 0 HG13 ILE P 47 -1.281 4.606 0.037 1.00 0.58 H new ATOM 0 HG21 ILE P 47 -0.541 3.317 1.815 1.00 0.91 H new ATOM 0 HG22 ILE P 47 -1.547 2.048 2.553 1.00 0.91 H new ATOM 0 HG23 ILE P 47 -1.026 1.897 0.858 1.00 0.91 H new ATOM 0 HD11 ILE P 47 -2.065 3.939 -2.203 1.00 0.82 H new ATOM 0 HD12 ILE P 47 -1.577 2.509 -1.262 1.00 0.82 H new ATOM 0 HD13 ILE P 47 -3.302 2.891 -1.469 1.00 0.82 H new ATOM 1770 N TRP P 48 -4.777 2.085 3.109 1.00 0.50 N ATOM 1771 CA TRP P 48 -5.094 1.452 4.374 1.00 0.58 C ATOM 1772 C TRP P 48 -5.657 0.052 4.118 1.00 0.50 C ATOM 1773 O TRP P 48 -5.077 -0.960 4.510 1.00 0.70 O ATOM 1774 CB TRP P 48 -6.050 2.361 5.160 1.00 0.68 C ATOM 1775 CG TRP P 48 -6.076 2.121 6.633 1.00 0.91 C ATOM 1776 CD1 TRP P 48 -5.434 2.869 7.556 1.00 1.14 C ATOM 1777 CD2 TRP P 48 -6.738 1.056 7.370 1.00 1.04 C ATOM 1778 NE1 TRP P 48 -5.661 2.350 8.813 1.00 1.35 N ATOM 1779 CE2 TRP P 48 -6.456 1.221 8.760 1.00 1.29 C ATOM 1780 CE3 TRP P 48 -7.572 -0.017 7.001 1.00 1.08 C ATOM 1781 CZ2 TRP P 48 -6.965 0.340 9.731 1.00 1.50 C ATOM 1782 CZ3 TRP P 48 -8.028 -0.941 7.957 1.00 1.32 C ATOM 1783 CH2 TRP P 48 -7.724 -0.766 9.318 1.00 1.51 C ATOM 0 H TRP P 48 -5.181 3.015 2.999 1.00 0.50 H new ATOM 0 HA TRP P 48 -4.201 1.320 4.985 1.00 0.58 H new ATOM 0 HB2 TRP P 48 -5.771 3.399 4.981 1.00 0.68 H new ATOM 0 HB3 TRP P 48 -7.058 2.230 4.767 1.00 0.68 H new ATOM 0 HD1 TRP P 48 -4.834 3.741 7.342 1.00 1.14 H new ATOM 0 HE1 TRP P 48 -5.289 2.750 9.674 1.00 1.35 H new ATOM 0 HE3 TRP P 48 -7.866 -0.132 5.968 1.00 1.08 H new ATOM 0 HZ2 TRP P 48 -6.774 0.512 10.780 1.00 1.50 H new ATOM 0 HZ3 TRP P 48 -8.616 -1.791 7.644 1.00 1.32 H new ATOM 0 HH2 TRP P 48 -8.074 -1.483 10.046 1.00 1.51 H new ATOM 1794 N PHE P 49 -6.759 -0.033 3.370 1.00 0.37 N ATOM 1795 CA PHE P 49 -7.395 -1.317 3.107 1.00 0.42 C ATOM 1796 C PHE P 49 -6.488 -2.222 2.286 1.00 0.48 C ATOM 1797 O PHE P 49 -6.273 -3.365 2.667 1.00 0.54 O ATOM 1798 CB PHE P 49 -8.749 -1.148 2.417 1.00 0.66 C ATOM 1799 CG PHE P 49 -9.829 -0.662 3.354 1.00 0.86 C ATOM 1800 CD1 PHE P 49 -10.402 -1.554 4.279 1.00 1.40 C ATOM 1801 CD2 PHE P 49 -10.238 0.680 3.327 1.00 1.18 C ATOM 1802 CE1 PHE P 49 -11.372 -1.094 5.182 1.00 1.75 C ATOM 1803 CE2 PHE P 49 -11.198 1.140 4.242 1.00 1.48 C ATOM 1804 CZ PHE P 49 -11.734 0.260 5.192 1.00 1.64 C ATOM 0 H PHE P 49 -7.223 0.767 2.941 1.00 0.37 H new ATOM 0 HA PHE P 49 -7.570 -1.791 4.073 1.00 0.42 H new ATOM 0 HB2 PHE P 49 -8.646 -0.442 1.593 1.00 0.66 H new ATOM 0 HB3 PHE P 49 -9.052 -2.101 1.984 1.00 0.66 H new ATOM 0 HD1 PHE P 49 -10.096 -2.590 4.294 1.00 1.40 H new ATOM 0 HD2 PHE P 49 -9.814 1.359 2.602 1.00 1.18 H new ATOM 0 HE1 PHE P 49 -11.840 -1.783 5.869 1.00 1.75 H new ATOM 0 HE2 PHE P 49 -11.523 2.170 4.214 1.00 1.48 H new ATOM 0 HZ PHE P 49 -12.428 0.626 5.934 1.00 1.64 H new ATOM 1814 N GLN P 50 -5.968 -1.720 1.165 1.00 0.66 N ATOM 1815 CA GLN P 50 -5.022 -2.428 0.308 1.00 0.91 C ATOM 1816 C GLN P 50 -3.993 -3.172 1.153 1.00 1.00 C ATOM 1817 O GLN P 50 -3.795 -4.372 0.989 1.00 1.27 O ATOM 1818 CB GLN P 50 -4.341 -1.393 -0.599 1.00 0.98 C ATOM 1819 CG GLN P 50 -3.084 -1.861 -1.340 1.00 1.17 C ATOM 1820 CD GLN P 50 -2.506 -0.707 -2.130 1.00 2.67 C ATOM 1821 OE1 GLN P 50 -3.041 -0.363 -3.181 1.00 3.80 O ATOM 1822 NE2 GLN P 50 -1.445 -0.095 -1.629 1.00 3.53 N ATOM 0 H GLN P 50 -6.200 -0.788 0.822 1.00 0.66 H new ATOM 0 HA GLN P 50 -5.541 -3.169 -0.300 1.00 0.91 H new ATOM 0 HB2 GLN P 50 -5.068 -1.055 -1.338 1.00 0.98 H new ATOM 0 HB3 GLN P 50 -4.078 -0.527 0.008 1.00 0.98 H new ATOM 0 HG2 GLN P 50 -2.347 -2.234 -0.629 1.00 1.17 H new ATOM 0 HG3 GLN P 50 -3.329 -2.687 -2.008 1.00 1.17 H new ATOM 0 HE21 GLN P 50 -1.036 -0.418 -0.752 1.00 3.53 H new ATOM 0 HE22 GLN P 50 -1.036 0.700 -2.120 1.00 3.53 H new ATOM 1831 N ASN P 51 -3.335 -2.445 2.045 1.00 0.93 N ATOM 1832 CA ASN P 51 -2.212 -2.970 2.801 1.00 1.22 C ATOM 1833 C ASN P 51 -2.755 -3.950 3.848 1.00 1.19 C ATOM 1834 O ASN P 51 -2.409 -5.129 3.847 1.00 1.67 O ATOM 1835 CB ASN P 51 -1.385 -1.813 3.396 1.00 1.44 C ATOM 1836 CG ASN P 51 -0.670 -0.947 2.344 1.00 3.02 C ATOM 1837 OD1 ASN P 51 -0.928 -1.030 1.138 1.00 4.69 O ATOM 1838 ND2 ASN P 51 0.229 -0.073 2.783 1.00 3.18 N ATOM 0 H ASN P 51 -3.566 -1.476 2.263 1.00 0.93 H new ATOM 0 HA ASN P 51 -1.523 -3.522 2.162 1.00 1.22 H new ATOM 0 HB2 ASN P 51 -2.043 -1.177 3.988 1.00 1.44 H new ATOM 0 HB3 ASN P 51 -0.641 -2.225 4.078 1.00 1.44 H new ATOM 0 HD21 ASN P 51 0.712 0.536 2.123 1.00 3.18 H new ATOM 0 HD22 ASN P 51 0.436 -0.011 3.780 1.00 3.18 H new ATOM 1845 N ARG P 52 -3.681 -3.496 4.698 1.00 0.80 N ATOM 1846 CA ARG P 52 -4.252 -4.291 5.789 1.00 0.79 C ATOM 1847 C ARG P 52 -4.810 -5.638 5.284 1.00 0.77 C ATOM 1848 O ARG P 52 -4.642 -6.684 5.917 1.00 0.97 O ATOM 1849 CB ARG P 52 -5.335 -3.459 6.501 1.00 0.83 C ATOM 1850 CG ARG P 52 -5.577 -3.836 7.972 1.00 0.98 C ATOM 1851 CD ARG P 52 -4.488 -3.371 8.956 1.00 1.41 C ATOM 1852 NE ARG P 52 -4.180 -1.932 8.831 1.00 1.67 N ATOM 1853 CZ ARG P 52 -3.878 -1.073 9.818 1.00 1.81 C ATOM 1854 NH1 ARG P 52 -4.035 -1.372 11.106 1.00 2.41 N ATOM 1855 NH2 ARG P 52 -3.409 0.121 9.486 1.00 2.70 N ATOM 0 H ARG P 52 -4.061 -2.551 4.646 1.00 0.80 H new ATOM 0 HA ARG P 52 -3.463 -4.536 6.501 1.00 0.79 H new ATOM 0 HB2 ARG P 52 -5.055 -2.407 6.452 1.00 0.83 H new ATOM 0 HB3 ARG P 52 -6.272 -3.565 5.955 1.00 0.83 H new ATOM 0 HG2 ARG P 52 -6.532 -3.414 8.286 1.00 0.98 H new ATOM 0 HG3 ARG P 52 -5.669 -4.920 8.042 1.00 0.98 H new ATOM 0 HD2 ARG P 52 -4.812 -3.581 9.975 1.00 1.41 H new ATOM 0 HD3 ARG P 52 -3.580 -3.948 8.785 1.00 1.41 H new ATOM 0 HE ARG P 52 -4.199 -1.546 7.887 1.00 1.67 H new ATOM 0 HH11 ARG P 52 -4.398 -2.286 11.377 1.00 2.41 H new ATOM 0 HH12 ARG P 52 -3.792 -0.687 11.822 1.00 2.41 H new ATOM 0 HH21 ARG P 52 -3.287 0.366 8.503 1.00 2.70 H new ATOM 0 HH22 ARG P 52 -3.171 0.795 10.213 1.00 2.70 H new ATOM 1869 N ARG P 53 -5.469 -5.638 4.118 1.00 0.78 N ATOM 1870 CA ARG P 53 -6.071 -6.830 3.512 1.00 1.19 C ATOM 1871 C ARG P 53 -5.074 -7.964 3.264 1.00 1.54 C ATOM 1872 O ARG P 53 -5.500 -9.105 3.074 1.00 2.14 O ATOM 1873 CB ARG P 53 -6.824 -6.498 2.206 1.00 1.44 C ATOM 1874 CG ARG P 53 -8.234 -5.951 2.474 1.00 2.00 C ATOM 1875 CD ARG P 53 -9.220 -6.211 1.325 1.00 2.42 C ATOM 1876 NE ARG P 53 -8.791 -5.673 0.022 1.00 2.39 N ATOM 1877 CZ ARG P 53 -9.239 -4.561 -0.583 1.00 3.67 C ATOM 1878 NH1 ARG P 53 -10.049 -3.710 0.050 1.00 5.02 N ATOM 1879 NH2 ARG P 53 -8.872 -4.329 -1.840 1.00 4.46 N ATOM 0 H ARG P 53 -5.600 -4.794 3.560 1.00 0.78 H new ATOM 0 HA ARG P 53 -6.786 -7.187 4.253 1.00 1.19 H new ATOM 0 HB2 ARG P 53 -6.254 -5.765 1.636 1.00 1.44 H new ATOM 0 HB3 ARG P 53 -6.895 -7.395 1.591 1.00 1.44 H new ATOM 0 HG2 ARG P 53 -8.623 -6.403 3.386 1.00 2.00 H new ATOM 0 HG3 ARG P 53 -8.171 -4.878 2.652 1.00 2.00 H new ATOM 0 HD2 ARG P 53 -9.371 -7.286 1.229 1.00 2.42 H new ATOM 0 HD3 ARG P 53 -10.185 -5.775 1.585 1.00 2.42 H new ATOM 0 HE ARG P 53 -8.075 -6.203 -0.475 1.00 2.39 H new ATOM 0 HH11 ARG P 53 -10.338 -3.899 1.010 1.00 5.02 H new ATOM 0 HH12 ARG P 53 -10.379 -2.870 -0.426 1.00 5.02 H new ATOM 0 HH21 ARG P 53 -8.263 -4.989 -2.324 1.00 4.46 H new ATOM 0 HH22 ARG P 53 -9.200 -3.491 -2.321 1.00 4.46 H new ATOM 1893 N MET P 54 -3.772 -7.680 3.252 1.00 1.42 N ATOM 1894 CA MET P 54 -2.755 -8.714 3.207 1.00 1.89 C ATOM 1895 C MET P 54 -2.698 -9.367 4.597 1.00 2.23 C ATOM 1896 O MET P 54 -3.161 -10.489 4.803 1.00 2.99 O ATOM 1897 CB MET P 54 -1.413 -8.103 2.761 1.00 1.98 C ATOM 1898 CG MET P 54 -1.535 -7.265 1.484 1.00 1.71 C ATOM 1899 SD MET P 54 -2.075 -8.144 0.004 1.00 2.35 S ATOM 1900 CE MET P 54 -2.949 -6.800 -0.813 1.00 1.63 C ATOM 0 H MET P 54 -3.400 -6.730 3.273 1.00 1.42 H new ATOM 0 HA MET P 54 -2.990 -9.488 2.476 1.00 1.89 H new ATOM 0 HB2 MET P 54 -1.019 -7.479 3.563 1.00 1.98 H new ATOM 0 HB3 MET P 54 -0.692 -8.904 2.597 1.00 1.98 H new ATOM 0 HG2 MET P 54 -2.235 -6.451 1.674 1.00 1.71 H new ATOM 0 HG3 MET P 54 -0.566 -6.811 1.278 1.00 1.71 H new ATOM 0 HE1 MET P 54 -3.158 -7.077 -1.846 1.00 1.63 H new ATOM 0 HE2 MET P 54 -3.887 -6.606 -0.292 1.00 1.63 H new ATOM 0 HE3 MET P 54 -2.332 -5.901 -0.796 1.00 1.63 H new ATOM 1910 N LYS P 55 -2.178 -8.613 5.567 1.00 1.82 N ATOM 1911 CA LYS P 55 -1.828 -9.064 6.907 1.00 1.96 C ATOM 1912 C LYS P 55 -2.932 -9.862 7.601 1.00 1.98 C ATOM 1913 O LYS P 55 -2.663 -10.838 8.314 1.00 2.33 O ATOM 1914 CB LYS P 55 -1.462 -7.840 7.754 1.00 1.81 C ATOM 1915 CG LYS P 55 -0.241 -8.129 8.626 1.00 2.70 C ATOM 1916 CD LYS P 55 1.025 -7.923 7.787 1.00 3.54 C ATOM 1917 CE LYS P 55 2.305 -8.449 8.433 1.00 4.88 C ATOM 1918 NZ LYS P 55 2.432 -8.063 9.850 1.00 5.00 N ATOM 0 H LYS P 55 -1.981 -7.622 5.428 1.00 1.82 H new ATOM 0 HA LYS P 55 -0.985 -9.747 6.806 1.00 1.96 H new ATOM 0 HB2 LYS P 55 -1.257 -6.990 7.103 1.00 1.81 H new ATOM 0 HB3 LYS P 55 -2.307 -7.562 8.384 1.00 1.81 H new ATOM 0 HG2 LYS P 55 -0.231 -7.468 9.493 1.00 2.70 H new ATOM 0 HG3 LYS P 55 -0.281 -9.150 9.005 1.00 2.70 H new ATOM 0 HD2 LYS P 55 0.891 -8.414 6.823 1.00 3.54 H new ATOM 0 HD3 LYS P 55 1.145 -6.858 7.588 1.00 3.54 H new ATOM 0 HE2 LYS P 55 2.326 -9.536 8.354 1.00 4.88 H new ATOM 0 HE3 LYS P 55 3.166 -8.073 7.880 1.00 4.88 H new ATOM 0 HZ1 LYS P 55 3.369 -8.343 10.204 1.00 5.00 H new ATOM 0 HZ2 LYS P 55 2.322 -7.033 9.940 1.00 5.00 H new ATOM 0 HZ3 LYS P 55 1.695 -8.540 10.407 1.00 5.00 H new ATOM 1932 N TRP P 56 -4.171 -9.397 7.417 1.00 1.76 N ATOM 1933 CA TRP P 56 -5.416 -10.062 7.795 1.00 1.95 C ATOM 1934 C TRP P 56 -5.310 -11.586 7.741 1.00 2.40 C ATOM 1935 O TRP P 56 -5.750 -12.252 8.679 1.00 3.60 O ATOM 1936 CB TRP P 56 -6.559 -9.488 6.948 1.00 1.73 C ATOM 1937 CG TRP P 56 -7.705 -10.391 6.604 1.00 1.97 C ATOM 1938 CD1 TRP P 56 -8.887 -10.513 7.249 1.00 2.41 C ATOM 1939 CD2 TRP P 56 -7.789 -11.279 5.459 1.00 2.05 C ATOM 1940 NE1 TRP P 56 -9.678 -11.432 6.582 1.00 2.68 N ATOM 1941 CE2 TRP P 56 -9.055 -11.923 5.455 1.00 2.52 C ATOM 1942 CE3 TRP P 56 -6.901 -11.592 4.421 1.00 2.02 C ATOM 1943 CZ2 TRP P 56 -9.423 -12.837 4.456 1.00 2.89 C ATOM 1944 CZ3 TRP P 56 -7.273 -12.462 3.379 1.00 2.51 C ATOM 1945 CH2 TRP P 56 -8.524 -13.105 3.409 1.00 2.90 C ATOM 0 H TRP P 56 -4.339 -8.494 6.974 1.00 1.76 H new ATOM 0 HA TRP P 56 -5.634 -9.854 8.843 1.00 1.95 H new ATOM 0 HB2 TRP P 56 -6.962 -8.623 7.475 1.00 1.73 H new ATOM 0 HB3 TRP P 56 -6.131 -9.122 6.015 1.00 1.73 H new ATOM 0 HD1 TRP P 56 -9.169 -9.978 8.144 1.00 2.41 H new ATOM 0 HE1 TRP P 56 -10.610 -11.712 6.888 1.00 2.68 H new ATOM 0 HE3 TRP P 56 -5.912 -11.157 4.421 1.00 2.02 H new ATOM 0 HZ2 TRP P 56 -10.384 -13.328 4.491 1.00 2.89 H new ATOM 0 HZ3 TRP P 56 -6.597 -12.636 2.555 1.00 2.51 H new ATOM 0 HH2 TRP P 56 -8.793 -13.803 2.630 1.00 2.90 H new