USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 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 -66:sc= 0.476 USER MOD Set 1.2: P 44 GLN : amide:sc= 0.464 K(o=0.94,f=-1.1) USER MOD Set 2.1: P 9 THR OG1 : rot 180:sc= -0.0162 USER MOD Set 2.2: P 12 GLN : amide:sc= 0.981 K(o=0.97,f=-5.5!) USER MOD Single : P 7 THR OG1 : rot -36:sc= 0.0758 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 59:sc= 1.17 USER MOD Single : P 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 21 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1.1) USER MOD Single : P 23 ASN : amide:sc= 0.132 X(o=0.13,f=-0.13) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0 USER MOD Single : P 36 HIS : no HD1:sc=-0.00537 X(o=-0.0054,f=0) USER MOD Single : P 39 SER OG : rot -26:sc= 0.715 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= -0.264 X(o=-0.26,f=-0.026) USER MOD Single : P 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 -2.180 10.333 12.762 1.00 3.73 N ATOM 1027 CA THR P 7 -2.960 11.193 13.648 1.00 4.33 C ATOM 1028 C THR P 7 -4.321 10.583 13.976 1.00 4.08 C ATOM 1029 O THR P 7 -4.902 10.913 15.008 1.00 4.52 O ATOM 1030 CB THR P 7 -3.129 12.594 13.042 1.00 5.13 C ATOM 1031 OG1 THR P 7 -3.688 12.555 11.740 1.00 6.17 O ATOM 1032 CG2 THR P 7 -1.773 13.284 12.964 1.00 5.27 C ATOM 0 HA THR P 7 -2.405 11.283 14.582 1.00 4.33 H new ATOM 0 HB THR P 7 -3.812 13.143 13.690 1.00 5.13 H new ATOM 0 HG1 THR P 7 -3.352 11.768 11.263 1.00 6.17 H new ATOM 0 HG21 THR P 7 -1.895 14.278 12.534 1.00 5.27 H new ATOM 0 HG22 THR P 7 -1.351 13.371 13.965 1.00 5.27 H new ATOM 0 HG23 THR P 7 -1.102 12.697 12.337 1.00 5.27 H new ATOM 1040 N TYR P 8 -4.815 9.764 13.048 1.00 3.66 N ATOM 1041 CA TYR P 8 -6.205 9.334 12.880 1.00 3.44 C ATOM 1042 C TYR P 8 -6.960 9.205 14.210 1.00 3.76 C ATOM 1043 O TYR P 8 -6.441 8.663 15.188 1.00 4.04 O ATOM 1044 CB TYR P 8 -6.315 8.015 12.085 1.00 3.08 C ATOM 1045 CG TYR P 8 -5.421 7.801 10.869 1.00 2.52 C ATOM 1046 CD1 TYR P 8 -4.889 8.881 10.135 1.00 2.82 C ATOM 1047 CD2 TYR P 8 -5.179 6.485 10.424 1.00 2.76 C ATOM 1048 CE1 TYR P 8 -4.088 8.643 9.006 1.00 2.77 C ATOM 1049 CE2 TYR P 8 -4.317 6.252 9.338 1.00 2.63 C ATOM 1050 CZ TYR P 8 -3.743 7.330 8.646 1.00 2.33 C ATOM 1051 OH TYR P 8 -2.969 7.116 7.547 1.00 2.64 O ATOM 0 H TYR P 8 -4.208 9.352 12.339 1.00 3.66 H new ATOM 0 HA TYR P 8 -6.681 10.129 12.305 1.00 3.44 H new ATOM 0 HB2 TYR P 8 -6.125 7.197 12.780 1.00 3.08 H new ATOM 0 HB3 TYR P 8 -7.349 7.918 11.753 1.00 3.08 H new ATOM 0 HD1 TYR P 8 -5.098 9.895 10.442 1.00 2.82 H new ATOM 0 HD2 TYR P 8 -5.658 5.653 10.919 1.00 2.76 H new ATOM 0 HE1 TYR P 8 -3.736 9.473 8.412 1.00 2.77 H new ATOM 0 HE2 TYR P 8 -4.096 5.239 9.035 1.00 2.63 H new ATOM 0 HH TYR P 8 -2.819 6.154 7.435 1.00 2.64 H new ATOM 1061 N THR P 9 -8.185 9.713 14.257 1.00 3.82 N ATOM 1062 CA THR P 9 -9.065 9.588 15.402 1.00 4.11 C ATOM 1063 C THR P 9 -9.571 8.145 15.482 1.00 3.92 C ATOM 1064 O THR P 9 -9.688 7.466 14.457 1.00 3.95 O ATOM 1065 CB THR P 9 -10.200 10.615 15.249 1.00 4.29 C ATOM 1066 OG1 THR P 9 -10.498 10.824 13.878 1.00 3.90 O ATOM 1067 CG2 THR P 9 -9.771 11.965 15.827 1.00 4.68 C ATOM 0 H THR P 9 -8.599 10.233 13.483 1.00 3.82 H new ATOM 0 HA THR P 9 -8.549 9.799 16.339 1.00 4.11 H new ATOM 0 HB THR P 9 -11.071 10.225 15.776 1.00 4.29 H new ATOM 0 HG1 THR P 9 -11.223 11.479 13.797 1.00 3.90 H new ATOM 0 HG21 THR P 9 -10.582 12.684 15.713 1.00 4.68 H new ATOM 0 HG22 THR P 9 -9.535 11.849 16.885 1.00 4.68 H new ATOM 0 HG23 THR P 9 -8.890 12.325 15.296 1.00 4.68 H new ATOM 1075 N ARG P 10 -9.858 7.663 16.693 1.00 3.91 N ATOM 1076 CA ARG P 10 -10.251 6.278 16.906 1.00 3.63 C ATOM 1077 C ARG P 10 -11.442 5.897 16.022 1.00 3.44 C ATOM 1078 O ARG P 10 -11.419 4.842 15.389 1.00 3.08 O ATOM 1079 CB ARG P 10 -10.485 5.990 18.398 1.00 3.91 C ATOM 1080 CG ARG P 10 -10.103 4.537 18.712 1.00 4.38 C ATOM 1081 CD ARG P 10 -10.101 4.241 20.219 1.00 5.02 C ATOM 1082 NE ARG P 10 -9.313 3.030 20.509 1.00 5.17 N ATOM 1083 CZ ARG P 10 -9.711 1.782 20.202 1.00 5.63 C ATOM 1084 NH1 ARG P 10 -10.991 1.517 19.937 1.00 6.44 N ATOM 1085 NH2 ARG P 10 -8.818 0.805 20.158 1.00 5.95 N ATOM 0 H ARG P 10 -9.823 8.222 17.546 1.00 3.91 H new ATOM 0 HA ARG P 10 -9.427 5.634 16.598 1.00 3.63 H new ATOM 0 HB2 ARG P 10 -9.891 6.672 19.007 1.00 3.91 H new ATOM 0 HB3 ARG P 10 -11.531 6.164 18.652 1.00 3.91 H new ATOM 0 HG2 ARG P 10 -10.802 3.865 18.214 1.00 4.38 H new ATOM 0 HG3 ARG P 10 -9.115 4.328 18.303 1.00 4.38 H new ATOM 0 HD2 ARG P 10 -9.685 5.090 20.761 1.00 5.02 H new ATOM 0 HD3 ARG P 10 -11.124 4.108 20.570 1.00 5.02 H new ATOM 0 HE ARG P 10 -8.411 3.145 20.971 1.00 5.17 H new ATOM 0 HH11 ARG P 10 -11.683 2.266 19.966 1.00 6.44 H new ATOM 0 HH12 ARG P 10 -11.278 0.566 19.706 1.00 6.44 H new ATOM 0 HH21 ARG P 10 -7.837 1.002 20.356 1.00 5.95 H new ATOM 0 HH22 ARG P 10 -9.111 -0.144 19.926 1.00 5.95 H new ATOM 1099 N TYR P 11 -12.426 6.794 15.933 1.00 3.75 N ATOM 1100 CA TYR P 11 -13.589 6.732 15.059 1.00 3.74 C ATOM 1101 C TYR P 11 -13.243 6.201 13.666 1.00 3.32 C ATOM 1102 O TYR P 11 -13.974 5.376 13.114 1.00 3.27 O ATOM 1103 CB TYR P 11 -14.192 8.143 14.957 1.00 4.09 C ATOM 1104 CG TYR P 11 -15.428 8.239 14.081 1.00 4.22 C ATOM 1105 CD1 TYR P 11 -16.668 7.789 14.575 1.00 4.53 C ATOM 1106 CD2 TYR P 11 -15.336 8.768 12.776 1.00 4.21 C ATOM 1107 CE1 TYR P 11 -17.806 7.816 13.749 1.00 4.65 C ATOM 1108 CE2 TYR P 11 -16.470 8.775 11.943 1.00 4.34 C ATOM 1109 CZ TYR P 11 -17.688 8.245 12.416 1.00 4.48 C ATOM 1110 OH TYR P 11 -18.768 8.145 11.591 1.00 4.67 O ATOM 0 H TYR P 11 -12.427 7.636 16.509 1.00 3.75 H new ATOM 0 HA TYR P 11 -14.309 6.034 15.487 1.00 3.74 H new ATOM 0 HB2 TYR P 11 -14.445 8.489 15.959 1.00 4.09 H new ATOM 0 HB3 TYR P 11 -13.433 8.821 14.567 1.00 4.09 H new ATOM 0 HD1 TYR P 11 -16.745 7.423 15.588 1.00 4.53 H new ATOM 0 HD2 TYR P 11 -14.398 9.166 12.418 1.00 4.21 H new ATOM 0 HE1 TYR P 11 -18.766 7.509 14.137 1.00 4.65 H new ATOM 0 HE2 TYR P 11 -16.408 9.185 10.946 1.00 4.34 H new ATOM 0 HH TYR P 11 -18.533 8.482 10.702 1.00 4.67 H new ATOM 1120 N GLN P 12 -12.161 6.707 13.076 1.00 3.09 N ATOM 1121 CA GLN P 12 -11.810 6.406 11.699 1.00 2.74 C ATOM 1122 C GLN P 12 -11.364 4.947 11.610 1.00 2.45 C ATOM 1123 O GLN P 12 -11.920 4.167 10.844 1.00 2.46 O ATOM 1124 CB GLN P 12 -10.730 7.390 11.226 1.00 2.66 C ATOM 1125 CG GLN P 12 -11.262 8.832 11.278 1.00 3.06 C ATOM 1126 CD GLN P 12 -10.176 9.876 11.052 1.00 2.99 C ATOM 1127 OE1 GLN P 12 -9.061 9.747 11.543 1.00 3.16 O ATOM 1128 NE2 GLN P 12 -10.491 10.957 10.350 1.00 3.30 N ATOM 0 H GLN P 12 -11.507 7.336 13.543 1.00 3.09 H new ATOM 0 HA GLN P 12 -12.667 6.527 11.037 1.00 2.74 H new ATOM 0 HB2 GLN P 12 -9.845 7.299 11.855 1.00 2.66 H new ATOM 0 HB3 GLN P 12 -10.425 7.144 10.209 1.00 2.66 H new ATOM 0 HG2 GLN P 12 -12.038 8.954 10.523 1.00 3.06 H new ATOM 0 HG3 GLN P 12 -11.730 9.006 12.247 1.00 3.06 H new ATOM 0 HE21 GLN P 12 -11.424 11.050 9.947 1.00 3.30 H new ATOM 0 HE22 GLN P 12 -9.801 11.695 10.213 1.00 3.30 H new ATOM 1137 N THR P 13 -10.376 4.572 12.422 1.00 2.38 N ATOM 1138 CA THR P 13 -9.925 3.194 12.525 1.00 2.23 C ATOM 1139 C THR P 13 -11.107 2.251 12.767 1.00 2.31 C ATOM 1140 O THR P 13 -11.215 1.201 12.142 1.00 2.23 O ATOM 1141 CB THR P 13 -8.880 3.084 13.650 1.00 2.43 C ATOM 1142 OG1 THR P 13 -8.842 4.269 14.429 1.00 3.34 O ATOM 1143 CG2 THR P 13 -7.488 2.868 13.067 1.00 2.11 C ATOM 0 H THR P 13 -9.869 5.219 13.025 1.00 2.38 H new ATOM 0 HA THR P 13 -9.462 2.894 11.585 1.00 2.23 H new ATOM 0 HB THR P 13 -9.169 2.238 14.274 1.00 2.43 H new ATOM 0 HG1 THR P 13 -9.727 4.435 14.815 1.00 3.34 H new ATOM 0 HG21 THR P 13 -6.762 2.793 13.877 1.00 2.11 H new ATOM 0 HG22 THR P 13 -7.477 1.948 12.483 1.00 2.11 H new ATOM 0 HG23 THR P 13 -7.228 3.709 12.424 1.00 2.11 H new ATOM 1151 N LEU P 14 -11.991 2.620 13.693 1.00 2.54 N ATOM 1152 CA LEU P 14 -13.039 1.736 14.162 1.00 2.69 C ATOM 1153 C LEU P 14 -13.909 1.188 13.036 1.00 2.59 C ATOM 1154 O LEU P 14 -14.184 -0.013 13.041 1.00 2.59 O ATOM 1155 CB LEU P 14 -13.896 2.424 15.227 1.00 3.05 C ATOM 1156 CG LEU P 14 -13.252 2.326 16.616 1.00 3.09 C ATOM 1157 CD1 LEU P 14 -13.942 3.326 17.541 1.00 3.40 C ATOM 1158 CD2 LEU P 14 -13.402 0.919 17.212 1.00 3.23 C ATOM 0 H LEU P 14 -11.995 3.540 14.134 1.00 2.54 H new ATOM 0 HA LEU P 14 -12.540 0.877 14.611 1.00 2.69 H new ATOM 0 HB2 LEU P 14 -14.035 3.472 14.962 1.00 3.05 H new ATOM 0 HB3 LEU P 14 -14.885 1.967 15.250 1.00 3.05 H new ATOM 0 HG LEU P 14 -12.188 2.543 16.519 1.00 3.09 H new ATOM 0 HD11 LEU P 14 -13.497 3.270 18.534 1.00 3.40 H new ATOM 0 HD12 LEU P 14 -13.819 4.334 17.144 1.00 3.40 H new ATOM 0 HD13 LEU P 14 -15.004 3.089 17.606 1.00 3.40 H new ATOM 0 HD21 LEU P 14 -12.934 0.889 18.196 1.00 3.23 H new ATOM 0 HD22 LEU P 14 -14.460 0.675 17.306 1.00 3.23 H new ATOM 0 HD23 LEU P 14 -12.919 0.193 16.558 1.00 3.23 H new ATOM 1170 N GLU P 15 -14.378 2.032 12.111 1.00 2.57 N ATOM 1171 CA GLU P 15 -15.194 1.510 11.027 1.00 2.60 C ATOM 1172 C GLU P 15 -14.334 0.836 9.973 1.00 2.24 C ATOM 1173 O GLU P 15 -14.821 -0.044 9.281 1.00 2.30 O ATOM 1174 CB GLU P 15 -16.099 2.559 10.403 1.00 2.90 C ATOM 1175 CG GLU P 15 -15.363 3.635 9.603 1.00 2.69 C ATOM 1176 CD GLU P 15 -16.420 4.615 9.143 1.00 3.08 C ATOM 1177 OE1 GLU P 15 -16.867 5.424 9.988 1.00 2.77 O ATOM 1178 OE2 GLU P 15 -16.917 4.467 8.008 1.00 4.38 O ATOM 0 H GLU P 15 -14.212 3.038 12.094 1.00 2.57 H new ATOM 0 HA GLU P 15 -15.851 0.762 11.471 1.00 2.60 H new ATOM 0 HB2 GLU P 15 -16.813 2.061 9.747 1.00 2.90 H new ATOM 0 HB3 GLU P 15 -16.674 3.041 11.193 1.00 2.90 H new ATOM 0 HG2 GLU P 15 -14.612 4.132 10.218 1.00 2.69 H new ATOM 0 HG3 GLU P 15 -14.840 3.198 8.752 1.00 2.69 H new ATOM 1185 N LEU P 16 -13.081 1.243 9.821 1.00 1.98 N ATOM 1186 CA LEU P 16 -12.197 0.615 8.861 1.00 1.76 C ATOM 1187 C LEU P 16 -11.958 -0.849 9.250 1.00 1.73 C ATOM 1188 O LEU P 16 -12.076 -1.739 8.406 1.00 1.68 O ATOM 1189 CB LEU P 16 -10.911 1.435 8.765 1.00 1.65 C ATOM 1190 CG LEU P 16 -11.035 2.667 7.867 1.00 1.66 C ATOM 1191 CD1 LEU P 16 -9.765 3.515 8.016 1.00 1.59 C ATOM 1192 CD2 LEU P 16 -11.203 2.289 6.386 1.00 1.90 C ATOM 0 H LEU P 16 -12.658 2.005 10.352 1.00 1.98 H new ATOM 0 HA LEU P 16 -12.647 0.597 7.868 1.00 1.76 H new ATOM 0 HB2 LEU P 16 -10.618 1.753 9.765 1.00 1.65 H new ATOM 0 HB3 LEU P 16 -10.112 0.798 8.386 1.00 1.65 H new ATOM 0 HG LEU P 16 -11.922 3.220 8.176 1.00 1.66 H new ATOM 0 HD11 LEU P 16 -9.840 4.397 7.381 1.00 1.59 H new ATOM 0 HD12 LEU P 16 -9.654 3.825 9.055 1.00 1.59 H new ATOM 0 HD13 LEU P 16 -8.897 2.926 7.718 1.00 1.59 H new ATOM 0 HD21 LEU P 16 -11.287 3.195 5.786 1.00 1.90 H new ATOM 0 HD22 LEU P 16 -10.337 1.715 6.056 1.00 1.90 H new ATOM 0 HD23 LEU P 16 -12.104 1.688 6.264 1.00 1.90 H new ATOM 1204 N GLU P 17 -11.696 -1.122 10.533 1.00 1.82 N ATOM 1205 CA GLU P 17 -11.662 -2.488 11.034 1.00 1.87 C ATOM 1206 C GLU P 17 -12.983 -3.224 10.762 1.00 1.99 C ATOM 1207 O GLU P 17 -12.988 -4.450 10.662 1.00 2.03 O ATOM 1208 CB GLU P 17 -11.340 -2.505 12.537 1.00 2.05 C ATOM 1209 CG GLU P 17 -9.979 -1.866 12.842 1.00 2.08 C ATOM 1210 CD GLU P 17 -9.248 -2.569 13.962 1.00 2.35 C ATOM 1211 OE1 GLU P 17 -9.776 -2.657 15.094 1.00 2.99 O ATOM 1212 OE2 GLU P 17 -8.107 -3.008 13.706 1.00 3.01 O ATOM 0 H GLU P 17 -11.505 -0.410 11.238 1.00 1.82 H new ATOM 0 HA GLU P 17 -10.872 -3.014 10.499 1.00 1.87 H new ATOM 0 HB2 GLU P 17 -12.120 -1.972 13.081 1.00 2.05 H new ATOM 0 HB3 GLU P 17 -11.346 -3.534 12.897 1.00 2.05 H new ATOM 0 HG2 GLU P 17 -9.363 -1.884 11.943 1.00 2.08 H new ATOM 0 HG3 GLU P 17 -10.124 -0.819 13.108 1.00 2.08 H new ATOM 1219 N LYS P 18 -14.095 -2.492 10.743 1.00 2.15 N ATOM 1220 CA LYS P 18 -15.440 -3.024 10.598 1.00 2.27 C ATOM 1221 C LYS P 18 -15.702 -3.411 9.137 1.00 2.21 C ATOM 1222 O LYS P 18 -16.189 -4.515 8.868 1.00 2.24 O ATOM 1223 CB LYS P 18 -16.413 -1.959 11.119 1.00 2.42 C ATOM 1224 CG LYS P 18 -17.769 -2.473 11.586 1.00 3.53 C ATOM 1225 CD LYS P 18 -18.588 -1.254 12.032 1.00 3.60 C ATOM 1226 CE LYS P 18 -19.885 -1.685 12.719 1.00 4.93 C ATOM 1227 NZ LYS P 18 -20.663 -0.523 13.184 1.00 4.94 N ATOM 0 H LYS P 18 -14.079 -1.476 10.832 1.00 2.15 H new ATOM 0 HA LYS P 18 -15.576 -3.937 11.178 1.00 2.27 H new ATOM 0 HB2 LYS P 18 -15.939 -1.435 11.949 1.00 2.42 H new ATOM 0 HB3 LYS P 18 -16.576 -1.225 10.330 1.00 2.42 H new ATOM 0 HG2 LYS P 18 -18.277 -3.004 10.781 1.00 3.53 H new ATOM 0 HG3 LYS P 18 -17.650 -3.179 12.408 1.00 3.53 H new ATOM 0 HD2 LYS P 18 -17.996 -0.644 12.715 1.00 3.60 H new ATOM 0 HD3 LYS P 18 -18.820 -0.631 11.168 1.00 3.60 H new ATOM 0 HE2 LYS P 18 -20.487 -2.273 12.026 1.00 4.93 H new ATOM 0 HE3 LYS P 18 -19.652 -2.330 13.566 1.00 4.93 H new ATOM 0 HZ1 LYS P 18 -21.536 -0.851 13.645 1.00 4.94 H new ATOM 0 HZ2 LYS P 18 -20.097 0.024 13.864 1.00 4.94 H new ATOM 0 HZ3 LYS P 18 -20.906 0.080 12.372 1.00 4.94 H new ATOM 1241 N GLU P 19 -15.370 -2.506 8.203 1.00 2.15 N ATOM 1242 CA GLU P 19 -15.378 -2.746 6.772 1.00 2.11 C ATOM 1243 C GLU P 19 -14.546 -3.992 6.526 1.00 1.97 C ATOM 1244 O GLU P 19 -15.078 -4.996 6.054 1.00 2.06 O ATOM 1245 CB GLU P 19 -14.759 -1.573 5.985 1.00 2.11 C ATOM 1246 CG GLU P 19 -15.585 -0.280 5.929 1.00 2.15 C ATOM 1247 CD GLU P 19 -16.866 -0.404 5.128 1.00 2.40 C ATOM 1248 OE1 GLU P 19 -16.955 -1.295 4.257 1.00 3.52 O ATOM 1249 OE2 GLU P 19 -17.770 0.425 5.368 1.00 2.55 O ATOM 0 H GLU P 19 -15.080 -1.558 8.443 1.00 2.15 H new ATOM 0 HA GLU P 19 -16.408 -2.860 6.433 1.00 2.11 H new ATOM 0 HB2 GLU P 19 -13.789 -1.340 6.424 1.00 2.11 H new ATOM 0 HB3 GLU P 19 -14.575 -1.906 4.964 1.00 2.11 H new ATOM 0 HG2 GLU P 19 -15.832 0.026 6.946 1.00 2.15 H new ATOM 0 HG3 GLU P 19 -14.973 0.512 5.497 1.00 2.15 H new ATOM 1256 N PHE P 20 -13.251 -3.915 6.857 1.00 1.82 N ATOM 1257 CA PHE P 20 -12.276 -4.951 6.564 1.00 1.73 C ATOM 1258 C PHE P 20 -12.362 -6.081 7.592 1.00 1.91 C ATOM 1259 O PHE P 20 -11.421 -6.398 8.326 1.00 3.01 O ATOM 1260 CB PHE P 20 -10.868 -4.361 6.431 1.00 1.70 C ATOM 1261 CG PHE P 20 -9.833 -5.394 6.022 1.00 1.59 C ATOM 1262 CD1 PHE P 20 -10.103 -6.236 4.925 1.00 1.98 C ATOM 1263 CD2 PHE P 20 -8.816 -5.744 6.931 1.00 1.85 C ATOM 1264 CE1 PHE P 20 -9.466 -7.482 4.826 1.00 2.00 C ATOM 1265 CE2 PHE P 20 -8.117 -6.951 6.779 1.00 1.70 C ATOM 1266 CZ PHE P 20 -8.466 -7.834 5.745 1.00 1.43 C ATOM 0 H PHE P 20 -12.853 -3.113 7.345 1.00 1.82 H new ATOM 0 HA PHE P 20 -12.511 -5.394 5.596 1.00 1.73 H new ATOM 0 HB2 PHE P 20 -10.884 -3.558 5.694 1.00 1.70 H new ATOM 0 HB3 PHE P 20 -10.574 -3.916 7.382 1.00 1.70 H new ATOM 0 HD1 PHE P 20 -10.799 -5.923 4.161 1.00 1.98 H new ATOM 0 HD2 PHE P 20 -8.573 -5.081 7.748 1.00 1.85 H new ATOM 0 HE1 PHE P 20 -9.745 -8.170 4.042 1.00 2.00 H new ATOM 0 HE2 PHE P 20 -7.313 -7.200 7.456 1.00 1.70 H new ATOM 0 HZ PHE P 20 -7.964 -8.786 5.657 1.00 1.43 H new ATOM 1276 N HIS P 21 -13.520 -6.718 7.589 1.00 2.26 N ATOM 1277 CA HIS P 21 -13.848 -7.943 8.281 1.00 2.36 C ATOM 1278 C HIS P 21 -15.181 -8.384 7.706 1.00 2.38 C ATOM 1279 O HIS P 21 -15.316 -9.533 7.292 1.00 2.48 O ATOM 1280 CB HIS P 21 -13.927 -7.741 9.798 1.00 2.50 C ATOM 1281 CG HIS P 21 -14.034 -9.032 10.571 1.00 3.02 C ATOM 1282 ND1 HIS P 21 -14.779 -10.150 10.231 1.00 4.34 N ATOM 1283 CD2 HIS P 21 -13.412 -9.289 11.763 1.00 3.06 C ATOM 1284 CE1 HIS P 21 -14.622 -11.051 11.217 1.00 4.43 C ATOM 1285 NE2 HIS P 21 -13.802 -10.570 12.170 1.00 3.65 N ATOM 0 H HIS P 21 -14.315 -6.360 7.059 1.00 2.26 H new ATOM 0 HA HIS P 21 -13.076 -8.699 8.136 1.00 2.36 H new ATOM 0 HB2 HIS P 21 -13.042 -7.199 10.131 1.00 2.50 H new ATOM 0 HB3 HIS P 21 -14.789 -7.116 10.029 1.00 2.50 H new ATOM 0 HD2 HIS P 21 -12.744 -8.626 12.292 1.00 3.06 H new ATOM 0 HE1 HIS P 21 -15.089 -12.025 11.241 1.00 4.43 H new ATOM 0 HE2 HIS P 21 -13.519 -11.048 13.025 1.00 3.65 H new ATOM 1293 N PHE P 22 -16.145 -7.462 7.648 1.00 2.38 N ATOM 1294 CA PHE P 22 -17.406 -7.725 6.986 1.00 2.49 C ATOM 1295 C PHE P 22 -17.152 -8.051 5.518 1.00 2.47 C ATOM 1296 O PHE P 22 -17.547 -9.113 5.035 1.00 2.62 O ATOM 1297 CB PHE P 22 -18.342 -6.516 7.118 1.00 2.52 C ATOM 1298 CG PHE P 22 -19.751 -6.784 6.624 1.00 2.87 C ATOM 1299 CD1 PHE P 22 -20.499 -7.838 7.180 1.00 3.87 C ATOM 1300 CD2 PHE P 22 -20.308 -6.005 5.594 1.00 2.94 C ATOM 1301 CE1 PHE P 22 -21.801 -8.102 6.721 1.00 4.16 C ATOM 1302 CE2 PHE P 22 -21.606 -6.275 5.128 1.00 3.40 C ATOM 1303 CZ PHE P 22 -22.357 -7.320 5.693 1.00 3.68 C ATOM 0 H PHE P 22 -16.068 -6.530 8.054 1.00 2.38 H new ATOM 0 HA PHE P 22 -17.889 -8.579 7.460 1.00 2.49 H new ATOM 0 HB2 PHE P 22 -18.384 -6.212 8.164 1.00 2.52 H new ATOM 0 HB3 PHE P 22 -17.923 -5.679 6.559 1.00 2.52 H new ATOM 0 HD1 PHE P 22 -20.071 -8.447 7.963 1.00 3.87 H new ATOM 0 HD2 PHE P 22 -19.737 -5.197 5.160 1.00 2.94 H new ATOM 0 HE1 PHE P 22 -22.375 -8.906 7.158 1.00 4.16 H new ATOM 0 HE2 PHE P 22 -22.028 -5.678 4.333 1.00 3.40 H new ATOM 0 HZ PHE P 22 -23.357 -7.522 5.339 1.00 3.68 H new ATOM 1313 N ASN P 23 -16.508 -7.117 4.823 1.00 2.36 N ATOM 1314 CA ASN P 23 -16.321 -7.109 3.378 1.00 2.34 C ATOM 1315 C ASN P 23 -14.887 -6.733 3.029 1.00 2.15 C ATOM 1316 O ASN P 23 -14.064 -6.518 3.915 1.00 2.73 O ATOM 1317 CB ASN P 23 -17.308 -6.135 2.723 1.00 2.47 C ATOM 1318 CG ASN P 23 -16.750 -4.727 2.507 1.00 2.33 C ATOM 1319 OD1 ASN P 23 -16.642 -4.282 1.367 1.00 2.72 O ATOM 1320 ND2 ASN P 23 -16.381 -4.029 3.575 1.00 2.55 N ATOM 0 H ASN P 23 -16.083 -6.308 5.275 1.00 2.36 H new ATOM 0 HA ASN P 23 -16.515 -8.111 2.995 1.00 2.34 H new ATOM 0 HB2 ASN P 23 -17.618 -6.542 1.761 1.00 2.47 H new ATOM 0 HB3 ASN P 23 -18.201 -6.068 3.344 1.00 2.47 H new ATOM 0 HD21 ASN P 23 -15.994 -3.092 3.463 1.00 2.55 H new ATOM 0 HD22 ASN P 23 -16.485 -4.430 4.507 1.00 2.55 H new ATOM 1327 N ARG P 24 -14.571 -6.690 1.735 1.00 1.89 N ATOM 1328 CA ARG P 24 -13.226 -6.467 1.255 1.00 1.86 C ATOM 1329 C ARG P 24 -13.193 -5.537 0.038 1.00 1.91 C ATOM 1330 O ARG P 24 -12.430 -4.572 0.027 1.00 1.96 O ATOM 1331 CB ARG P 24 -12.626 -7.829 0.912 1.00 1.95 C ATOM 1332 CG ARG P 24 -12.700 -8.808 2.093 1.00 2.28 C ATOM 1333 CD ARG P 24 -11.935 -10.085 1.766 1.00 2.46 C ATOM 1334 NE ARG P 24 -12.417 -10.690 0.515 1.00 2.91 N ATOM 1335 CZ ARG P 24 -11.732 -11.550 -0.244 1.00 3.88 C ATOM 1336 NH1 ARG P 24 -10.566 -12.014 0.213 1.00 4.62 N ATOM 1337 NH2 ARG P 24 -12.212 -11.909 -1.435 1.00 5.05 N ATOM 0 H ARG P 24 -15.257 -6.812 0.990 1.00 1.89 H new ATOM 0 HA ARG P 24 -12.643 -5.971 2.031 1.00 1.86 H new ATOM 0 HB2 ARG P 24 -13.154 -8.252 0.057 1.00 1.95 H new ATOM 0 HB3 ARG P 24 -11.586 -7.701 0.613 1.00 1.95 H new ATOM 0 HG2 ARG P 24 -12.282 -8.344 2.986 1.00 2.28 H new ATOM 0 HG3 ARG P 24 -13.741 -9.045 2.314 1.00 2.28 H new ATOM 0 HD2 ARG P 24 -10.872 -9.862 1.679 1.00 2.46 H new ATOM 0 HD3 ARG P 24 -12.046 -10.797 2.583 1.00 2.46 H new ATOM 0 HE ARG P 24 -13.352 -10.431 0.201 1.00 2.91 H new ATOM 0 HH11 ARG P 24 -10.218 -11.711 1.122 1.00 4.62 H new ATOM 0 HH12 ARG P 24 -10.024 -12.672 -0.347 1.00 4.62 H new ATOM 0 HH21 ARG P 24 -13.099 -11.527 -1.764 1.00 5.05 H new ATOM 0 HH22 ARG P 24 -11.692 -12.565 -2.018 1.00 5.05 H new ATOM 1351 N TYR P 25 -13.942 -5.859 -1.019 1.00 2.06 N ATOM 1352 CA TYR P 25 -13.795 -5.211 -2.320 1.00 2.25 C ATOM 1353 C TYR P 25 -14.828 -4.088 -2.426 1.00 2.36 C ATOM 1354 O TYR P 25 -16.024 -4.341 -2.266 1.00 2.69 O ATOM 1355 CB TYR P 25 -13.981 -6.237 -3.445 1.00 2.43 C ATOM 1356 CG TYR P 25 -12.917 -7.312 -3.620 1.00 2.47 C ATOM 1357 CD1 TYR P 25 -12.003 -7.647 -2.598 1.00 2.78 C ATOM 1358 CD2 TYR P 25 -12.902 -8.045 -4.822 1.00 3.50 C ATOM 1359 CE1 TYR P 25 -11.180 -8.776 -2.724 1.00 3.35 C ATOM 1360 CE2 TYR P 25 -11.990 -9.099 -4.996 1.00 3.73 C ATOM 1361 CZ TYR P 25 -11.164 -9.490 -3.929 1.00 3.34 C ATOM 1362 OH TYR P 25 -10.265 -10.492 -4.092 1.00 3.88 O ATOM 0 H TYR P 25 -14.667 -6.576 -0.995 1.00 2.06 H new ATOM 0 HA TYR P 25 -12.795 -4.789 -2.418 1.00 2.25 H new ATOM 0 HB2 TYR P 25 -14.936 -6.737 -3.286 1.00 2.43 H new ATOM 0 HB3 TYR P 25 -14.060 -5.690 -4.385 1.00 2.43 H new ATOM 0 HD1 TYR P 25 -11.937 -7.030 -1.714 1.00 2.78 H new ATOM 0 HD2 TYR P 25 -13.594 -7.796 -5.613 1.00 3.50 H new ATOM 0 HE1 TYR P 25 -10.562 -9.093 -1.897 1.00 3.35 H new ATOM 0 HE2 TYR P 25 -11.924 -9.607 -5.947 1.00 3.73 H new ATOM 0 HH TYR P 25 -10.379 -10.893 -4.979 1.00 3.88 H new ATOM 1372 N LEU P 26 -14.379 -2.853 -2.654 1.00 2.41 N ATOM 1373 CA LEU P 26 -15.237 -1.673 -2.664 1.00 2.43 C ATOM 1374 C LEU P 26 -15.547 -1.270 -4.101 1.00 2.59 C ATOM 1375 O LEU P 26 -14.626 -1.169 -4.920 1.00 2.89 O ATOM 1376 CB LEU P 26 -14.544 -0.505 -1.951 1.00 2.26 C ATOM 1377 CG LEU P 26 -14.690 -0.561 -0.424 1.00 2.25 C ATOM 1378 CD1 LEU P 26 -13.652 -1.467 0.234 1.00 2.50 C ATOM 1379 CD2 LEU P 26 -14.542 0.820 0.214 1.00 2.13 C ATOM 0 H LEU P 26 -13.398 -2.644 -2.839 1.00 2.41 H new ATOM 0 HA LEU P 26 -16.163 -1.913 -2.142 1.00 2.43 H new ATOM 0 HB2 LEU P 26 -13.485 -0.506 -2.209 1.00 2.26 H new ATOM 0 HB3 LEU P 26 -14.960 0.434 -2.316 1.00 2.26 H new ATOM 0 HG LEU P 26 -15.691 -0.959 -0.256 1.00 2.25 H new ATOM 0 HD11 LEU P 26 -13.803 -1.469 1.314 1.00 2.50 H new ATOM 0 HD12 LEU P 26 -13.760 -2.482 -0.149 1.00 2.50 H new ATOM 0 HD13 LEU P 26 -12.652 -1.098 0.008 1.00 2.50 H new ATOM 0 HD21 LEU P 26 -14.652 0.735 1.295 1.00 2.13 H new ATOM 0 HD22 LEU P 26 -13.557 1.225 -0.020 1.00 2.13 H new ATOM 0 HD23 LEU P 26 -15.311 1.486 -0.178 1.00 2.13 H new ATOM 1391 N THR P 27 -16.815 -1.003 -4.419 1.00 2.59 N ATOM 1392 CA THR P 27 -17.125 -0.325 -5.666 1.00 2.66 C ATOM 1393 C THR P 27 -16.542 1.086 -5.569 1.00 2.51 C ATOM 1394 O THR P 27 -16.390 1.602 -4.460 1.00 2.46 O ATOM 1395 CB THR P 27 -18.633 -0.361 -5.953 1.00 2.87 C ATOM 1396 OG1 THR P 27 -18.864 -0.259 -7.342 1.00 4.18 O ATOM 1397 CG2 THR P 27 -19.422 0.749 -5.260 1.00 3.03 C ATOM 0 H THR P 27 -17.622 -1.241 -3.842 1.00 2.59 H new ATOM 0 HA THR P 27 -16.674 -0.828 -6.521 1.00 2.66 H new ATOM 0 HB THR P 27 -18.983 -1.313 -5.555 1.00 2.87 H new ATOM 0 HG1 THR P 27 -19.828 -0.285 -7.516 1.00 4.18 H new ATOM 0 HG21 THR P 27 -20.478 0.656 -5.512 1.00 3.03 H new ATOM 0 HG22 THR P 27 -19.297 0.664 -4.180 1.00 3.03 H new ATOM 0 HG23 THR P 27 -19.054 1.719 -5.593 1.00 3.03 H new ATOM 1405 N ARG P 28 -16.197 1.730 -6.682 1.00 2.74 N ATOM 1406 CA ARG P 28 -15.537 3.031 -6.659 1.00 2.63 C ATOM 1407 C ARG P 28 -16.378 4.026 -5.855 1.00 2.56 C ATOM 1408 O ARG P 28 -15.882 4.675 -4.937 1.00 2.66 O ATOM 1409 CB ARG P 28 -15.256 3.532 -8.081 1.00 2.87 C ATOM 1410 CG ARG P 28 -14.219 4.658 -8.004 1.00 2.90 C ATOM 1411 CD ARG P 28 -13.995 5.335 -9.355 1.00 3.11 C ATOM 1412 NE ARG P 28 -13.015 6.420 -9.206 1.00 4.01 N ATOM 1413 CZ ARG P 28 -12.940 7.521 -9.963 1.00 4.44 C ATOM 1414 NH1 ARG P 28 -13.618 7.599 -11.105 1.00 4.53 N ATOM 1415 NH2 ARG P 28 -12.153 8.514 -9.555 1.00 5.29 N ATOM 0 H ARG P 28 -16.366 1.366 -7.620 1.00 2.74 H new ATOM 0 HA ARG P 28 -14.570 2.931 -6.166 1.00 2.63 H new ATOM 0 HB2 ARG P 28 -14.885 2.717 -8.703 1.00 2.87 H new ATOM 0 HB3 ARG P 28 -16.174 3.894 -8.544 1.00 2.87 H new ATOM 0 HG2 ARG P 28 -14.547 5.402 -7.278 1.00 2.90 H new ATOM 0 HG3 ARG P 28 -13.274 4.254 -7.642 1.00 2.90 H new ATOM 0 HD2 ARG P 28 -13.638 4.607 -10.083 1.00 3.11 H new ATOM 0 HD3 ARG P 28 -14.937 5.731 -9.735 1.00 3.11 H new ATOM 0 HE ARG P 28 -12.329 6.325 -8.457 1.00 4.01 H new ATOM 0 HH11 ARG P 28 -14.199 6.817 -11.408 1.00 4.53 H new ATOM 0 HH12 ARG P 28 -13.557 8.441 -11.678 1.00 4.53 H new ATOM 0 HH21 ARG P 28 -11.627 8.424 -8.686 1.00 5.29 H new ATOM 0 HH22 ARG P 28 -12.076 9.365 -10.112 1.00 5.29 H new ATOM 1429 N ARG P 29 -17.684 4.055 -6.117 1.00 2.78 N ATOM 1430 CA ARG P 29 -18.653 4.877 -5.399 1.00 2.87 C ATOM 1431 C ARG P 29 -18.835 4.477 -3.918 1.00 2.77 C ATOM 1432 O ARG P 29 -19.736 4.975 -3.247 1.00 3.18 O ATOM 1433 CB ARG P 29 -19.960 4.846 -6.204 1.00 3.41 C ATOM 1434 CG ARG P 29 -21.012 5.849 -5.727 1.00 3.91 C ATOM 1435 CD ARG P 29 -22.132 6.008 -6.756 1.00 4.38 C ATOM 1436 NE ARG P 29 -21.706 6.790 -7.931 1.00 5.08 N ATOM 1437 CZ ARG P 29 -22.474 7.719 -8.522 1.00 5.71 C ATOM 1438 NH1 ARG P 29 -23.786 7.760 -8.270 1.00 6.13 N ATOM 1439 NH2 ARG P 29 -21.928 8.600 -9.363 1.00 6.42 N ATOM 0 H ARG P 29 -18.107 3.492 -6.855 1.00 2.78 H new ATOM 0 HA ARG P 29 -18.282 5.900 -5.329 1.00 2.87 H new ATOM 0 HB2 ARG P 29 -19.734 5.044 -7.252 1.00 3.41 H new ATOM 0 HB3 ARG P 29 -20.382 3.842 -6.153 1.00 3.41 H new ATOM 0 HG2 ARG P 29 -21.432 5.516 -4.778 1.00 3.91 H new ATOM 0 HG3 ARG P 29 -20.541 6.815 -5.546 1.00 3.91 H new ATOM 0 HD2 ARG P 29 -22.467 5.023 -7.080 1.00 4.38 H new ATOM 0 HD3 ARG P 29 -22.986 6.497 -6.287 1.00 4.38 H new ATOM 0 HE ARG P 29 -20.778 6.616 -8.316 1.00 5.08 H new ATOM 0 HH11 ARG P 29 -24.203 7.086 -7.629 1.00 6.13 H new ATOM 0 HH12 ARG P 29 -24.370 8.466 -8.719 1.00 6.13 H new ATOM 0 HH21 ARG P 29 -20.927 8.567 -9.557 1.00 6.42 H new ATOM 0 HH22 ARG P 29 -22.512 9.306 -9.812 1.00 6.42 H new ATOM 1453 N ARG P 30 -18.001 3.595 -3.364 1.00 2.69 N ATOM 1454 CA ARG P 30 -17.785 3.470 -1.925 1.00 2.56 C ATOM 1455 C ARG P 30 -16.325 3.825 -1.622 1.00 2.42 C ATOM 1456 O ARG P 30 -16.058 4.629 -0.737 1.00 2.42 O ATOM 1457 CB ARG P 30 -18.145 2.060 -1.433 1.00 2.58 C ATOM 1458 CG ARG P 30 -18.179 1.985 0.102 1.00 2.84 C ATOM 1459 CD ARG P 30 -19.489 2.525 0.702 1.00 3.02 C ATOM 1460 NE ARG P 30 -19.313 3.015 2.083 1.00 2.92 N ATOM 1461 CZ ARG P 30 -19.101 2.255 3.169 1.00 3.32 C ATOM 1462 NH1 ARG P 30 -19.086 0.928 3.078 1.00 4.31 N ATOM 1463 NH2 ARG P 30 -18.870 2.807 4.358 1.00 3.71 N ATOM 0 H ARG P 30 -17.448 2.937 -3.914 1.00 2.69 H new ATOM 0 HA ARG P 30 -18.439 4.158 -1.389 1.00 2.56 H new ATOM 0 HB2 ARG P 30 -19.117 1.772 -1.833 1.00 2.58 H new ATOM 0 HB3 ARG P 30 -17.418 1.344 -1.816 1.00 2.58 H new ATOM 0 HG2 ARG P 30 -18.044 0.949 0.413 1.00 2.84 H new ATOM 0 HG3 ARG P 30 -17.340 2.551 0.507 1.00 2.84 H new ATOM 0 HD2 ARG P 30 -19.866 3.335 0.077 1.00 3.02 H new ATOM 0 HD3 ARG P 30 -20.242 1.737 0.692 1.00 3.02 H new ATOM 0 HE ARG P 30 -19.356 4.024 2.225 1.00 2.92 H new ATOM 0 HH11 ARG P 30 -19.237 0.477 2.176 1.00 4.31 H new ATOM 0 HH12 ARG P 30 -18.924 0.362 3.911 1.00 4.31 H new ATOM 0 HH21 ARG P 30 -18.852 3.822 4.454 1.00 3.71 H new ATOM 0 HH22 ARG P 30 -18.711 2.215 5.173 1.00 3.71 H new ATOM 1477 N ARG P 31 -15.391 3.228 -2.366 1.00 2.40 N ATOM 1478 CA ARG P 31 -13.943 3.414 -2.289 1.00 2.48 C ATOM 1479 C ARG P 31 -13.571 4.894 -2.115 1.00 2.51 C ATOM 1480 O ARG P 31 -12.734 5.234 -1.274 1.00 2.63 O ATOM 1481 CB ARG P 31 -13.296 2.758 -3.534 1.00 2.68 C ATOM 1482 CG ARG P 31 -12.165 1.750 -3.265 1.00 2.87 C ATOM 1483 CD ARG P 31 -10.779 2.373 -3.393 1.00 2.32 C ATOM 1484 NE ARG P 31 -10.573 3.385 -2.358 1.00 2.03 N ATOM 1485 CZ ARG P 31 -9.866 4.506 -2.532 1.00 3.66 C ATOM 1486 NH1 ARG P 31 -8.988 4.610 -3.527 1.00 4.82 N ATOM 1487 NH2 ARG P 31 -10.047 5.531 -1.707 1.00 4.97 N ATOM 0 H ARG P 31 -15.646 2.555 -3.088 1.00 2.40 H new ATOM 0 HA ARG P 31 -13.548 2.921 -1.401 1.00 2.48 H new ATOM 0 HB2 ARG P 31 -14.078 2.251 -4.099 1.00 2.68 H new ATOM 0 HB3 ARG P 31 -12.904 3.550 -4.173 1.00 2.68 H new ATOM 0 HG2 ARG P 31 -12.282 1.337 -2.263 1.00 2.87 H new ATOM 0 HG3 ARG P 31 -12.251 0.918 -3.964 1.00 2.87 H new ATOM 0 HD2 ARG P 31 -10.017 1.598 -3.309 1.00 2.32 H new ATOM 0 HD3 ARG P 31 -10.667 2.825 -4.379 1.00 2.32 H new ATOM 0 HE ARG P 31 -10.996 3.225 -1.444 1.00 2.03 H new ATOM 0 HH11 ARG P 31 -8.848 3.829 -4.168 1.00 4.82 H new ATOM 0 HH12 ARG P 31 -8.455 5.471 -3.649 1.00 4.82 H new ATOM 0 HH21 ARG P 31 -10.722 5.460 -0.946 1.00 4.97 H new ATOM 0 HH22 ARG P 31 -9.511 6.389 -1.834 1.00 4.97 H new ATOM 1501 N ILE P 32 -14.208 5.772 -2.889 1.00 2.46 N ATOM 1502 CA ILE P 32 -14.137 7.217 -2.723 1.00 2.45 C ATOM 1503 C ILE P 32 -14.753 7.585 -1.372 1.00 2.49 C ATOM 1504 O ILE P 32 -14.084 8.115 -0.486 1.00 2.65 O ATOM 1505 CB ILE P 32 -14.885 7.902 -3.890 1.00 2.47 C ATOM 1506 CG1 ILE P 32 -14.087 7.711 -5.193 1.00 2.53 C ATOM 1507 CG2 ILE P 32 -15.135 9.397 -3.622 1.00 2.49 C ATOM 1508 CD1 ILE P 32 -14.838 8.213 -6.429 1.00 2.55 C ATOM 0 H ILE P 32 -14.802 5.487 -3.668 1.00 2.46 H new ATOM 0 HA ILE P 32 -13.102 7.559 -2.739 1.00 2.45 H new ATOM 0 HB ILE P 32 -15.863 7.431 -3.986 1.00 2.47 H new ATOM 0 HG12 ILE P 32 -13.137 8.239 -5.112 1.00 2.53 H new ATOM 0 HG13 ILE P 32 -13.855 6.654 -5.319 1.00 2.53 H new ATOM 0 HG21 ILE P 32 -15.663 9.835 -4.469 1.00 2.49 H new ATOM 0 HG22 ILE P 32 -15.738 9.509 -2.721 1.00 2.49 H new ATOM 0 HG23 ILE P 32 -14.181 9.907 -3.486 1.00 2.49 H new ATOM 0 HD11 ILE P 32 -14.226 8.052 -7.317 1.00 2.55 H new ATOM 0 HD12 ILE P 32 -15.776 7.668 -6.531 1.00 2.55 H new ATOM 0 HD13 ILE P 32 -15.047 9.277 -6.320 1.00 2.55 H new ATOM 1520 N GLU P 33 -16.055 7.332 -1.240 1.00 2.45 N ATOM 1521 CA GLU P 33 -16.906 7.831 -0.176 1.00 2.51 C ATOM 1522 C GLU P 33 -16.325 7.621 1.219 1.00 2.38 C ATOM 1523 O GLU P 33 -16.410 8.558 2.017 1.00 2.40 O ATOM 1524 CB GLU P 33 -18.293 7.199 -0.302 1.00 2.64 C ATOM 1525 CG GLU P 33 -18.947 7.566 -1.644 1.00 2.76 C ATOM 1526 CD GLU P 33 -19.184 9.050 -1.777 1.00 3.57 C ATOM 1527 OE1 GLU P 33 -19.701 9.644 -0.802 1.00 3.92 O ATOM 1528 OE2 GLU P 33 -18.858 9.591 -2.852 1.00 4.94 O ATOM 0 H GLU P 33 -16.561 6.747 -1.905 1.00 2.45 H new ATOM 0 HA GLU P 33 -16.979 8.912 -0.295 1.00 2.51 H new ATOM 0 HB2 GLU P 33 -18.212 6.115 -0.218 1.00 2.64 H new ATOM 0 HB3 GLU P 33 -18.926 7.536 0.519 1.00 2.64 H new ATOM 0 HG2 GLU P 33 -18.310 7.227 -2.461 1.00 2.76 H new ATOM 0 HG3 GLU P 33 -19.896 7.038 -1.740 1.00 2.76 H new ATOM 1535 N ILE P 34 -15.739 6.447 1.490 1.00 2.27 N ATOM 1536 CA ILE P 34 -15.057 6.171 2.752 1.00 2.15 C ATOM 1537 C ILE P 34 -14.217 7.387 3.133 1.00 1.92 C ATOM 1538 O ILE P 34 -14.346 7.939 4.218 1.00 2.01 O ATOM 1539 CB ILE P 34 -14.122 4.942 2.649 1.00 2.03 C ATOM 1540 CG1 ILE P 34 -14.760 3.629 2.181 1.00 2.67 C ATOM 1541 CG2 ILE P 34 -13.429 4.676 3.996 1.00 1.79 C ATOM 1542 CD1 ILE P 34 -16.059 3.305 2.906 1.00 2.58 C ATOM 0 H ILE P 34 -15.727 5.664 0.837 1.00 2.27 H new ATOM 0 HA ILE P 34 -15.817 5.959 3.504 1.00 2.15 H new ATOM 0 HB ILE P 34 -13.421 5.231 1.866 1.00 2.03 H new ATOM 0 HG12 ILE P 34 -14.953 3.687 1.110 1.00 2.67 H new ATOM 0 HG13 ILE P 34 -14.053 2.814 2.333 1.00 2.67 H new ATOM 0 HG21 ILE P 34 -12.776 3.808 3.904 1.00 1.79 H new ATOM 0 HG22 ILE P 34 -12.838 5.547 4.279 1.00 1.79 H new ATOM 0 HG23 ILE P 34 -14.182 4.484 4.761 1.00 1.79 H new ATOM 0 HD11 ILE P 34 -16.461 2.364 2.530 1.00 2.58 H new ATOM 0 HD12 ILE P 34 -15.866 3.216 3.975 1.00 2.58 H new ATOM 0 HD13 ILE P 34 -16.781 4.103 2.733 1.00 2.58 H new ATOM 1554 N ALA P 35 -13.343 7.805 2.224 1.00 1.70 N ATOM 1555 CA ALA P 35 -12.332 8.804 2.500 1.00 1.62 C ATOM 1556 C ALA P 35 -12.945 10.107 2.964 1.00 1.76 C ATOM 1557 O ALA P 35 -12.480 10.694 3.938 1.00 1.86 O ATOM 1558 CB ALA P 35 -11.504 9.019 1.245 1.00 1.58 C ATOM 0 H ALA P 35 -13.321 7.453 1.267 1.00 1.70 H new ATOM 0 HA ALA P 35 -11.695 8.447 3.310 1.00 1.62 H new ATOM 0 HB1 ALA P 35 -10.738 9.770 1.439 1.00 1.58 H new ATOM 0 HB2 ALA P 35 -11.029 8.081 0.958 1.00 1.58 H new ATOM 0 HB3 ALA P 35 -12.151 9.361 0.437 1.00 1.58 H new ATOM 1564 N HIS P 36 -13.961 10.562 2.240 1.00 1.84 N ATOM 1565 CA HIS P 36 -14.653 11.787 2.573 1.00 1.96 C ATOM 1566 C HIS P 36 -15.299 11.629 3.950 1.00 2.08 C ATOM 1567 O HIS P 36 -15.091 12.469 4.826 1.00 2.13 O ATOM 1568 CB HIS P 36 -15.667 12.118 1.475 1.00 2.13 C ATOM 1569 CG HIS P 36 -15.030 12.644 0.209 1.00 2.25 C ATOM 1570 ND1 HIS P 36 -15.059 13.953 -0.217 1.00 2.37 N ATOM 1571 CD2 HIS P 36 -14.242 11.942 -0.666 1.00 2.49 C ATOM 1572 CE1 HIS P 36 -14.305 14.032 -1.327 1.00 2.58 C ATOM 1573 NE2 HIS P 36 -13.763 12.836 -1.635 1.00 2.65 N ATOM 0 H HIS P 36 -14.322 10.090 1.411 1.00 1.84 H new ATOM 0 HA HIS P 36 -13.960 12.627 2.627 1.00 1.96 H new ATOM 0 HB2 HIS P 36 -16.241 11.222 1.239 1.00 2.13 H new ATOM 0 HB3 HIS P 36 -16.372 12.858 1.853 1.00 2.13 H new ATOM 0 HD2 HIS P 36 -14.027 10.885 -0.618 1.00 2.49 H new ATOM 0 HE1 HIS P 36 -14.153 14.936 -1.898 1.00 2.58 H new ATOM 0 HE2 HIS P 36 -13.135 12.625 -2.411 1.00 2.65 H new ATOM 1581 N ALA P 37 -16.041 10.538 4.145 1.00 2.19 N ATOM 1582 CA ALA P 37 -16.756 10.256 5.382 1.00 2.39 C ATOM 1583 C ALA P 37 -15.810 10.274 6.584 1.00 2.44 C ATOM 1584 O ALA P 37 -16.038 11.007 7.547 1.00 2.60 O ATOM 1585 CB ALA P 37 -17.492 8.917 5.263 1.00 2.54 C ATOM 0 H ALA P 37 -16.161 9.816 3.434 1.00 2.19 H new ATOM 0 HA ALA P 37 -17.494 11.040 5.548 1.00 2.39 H new ATOM 0 HB1 ALA P 37 -18.025 8.711 6.191 1.00 2.54 H new ATOM 0 HB2 ALA P 37 -18.204 8.965 4.439 1.00 2.54 H new ATOM 0 HB3 ALA P 37 -16.771 8.121 5.074 1.00 2.54 H new ATOM 1591 N LEU P 38 -14.746 9.473 6.545 1.00 2.36 N ATOM 1592 CA LEU P 38 -13.786 9.406 7.636 1.00 2.49 C ATOM 1593 C LEU P 38 -13.093 10.754 7.773 1.00 2.46 C ATOM 1594 O LEU P 38 -12.868 11.224 8.886 1.00 2.85 O ATOM 1595 CB LEU P 38 -12.701 8.343 7.410 1.00 2.20 C ATOM 1596 CG LEU P 38 -13.167 6.934 7.032 1.00 2.51 C ATOM 1597 CD1 LEU P 38 -12.144 5.921 7.537 1.00 2.13 C ATOM 1598 CD2 LEU P 38 -14.543 6.518 7.548 1.00 3.61 C ATOM 0 H LEU P 38 -14.530 8.858 5.761 1.00 2.36 H new ATOM 0 HA LEU P 38 -14.344 9.140 8.533 1.00 2.49 H new ATOM 0 HB2 LEU P 38 -12.037 8.701 6.624 1.00 2.20 H new ATOM 0 HB3 LEU P 38 -12.106 8.269 8.321 1.00 2.20 H new ATOM 0 HG LEU P 38 -13.255 6.953 5.946 1.00 2.51 H new ATOM 0 HD11 LEU P 38 -12.468 4.914 7.272 1.00 2.13 H new ATOM 0 HD12 LEU P 38 -11.176 6.123 7.079 1.00 2.13 H new ATOM 0 HD13 LEU P 38 -12.057 6.001 8.621 1.00 2.13 H new ATOM 0 HD21 LEU P 38 -14.764 5.503 7.218 1.00 3.61 H new ATOM 0 HD22 LEU P 38 -14.549 6.554 8.637 1.00 3.61 H new ATOM 0 HD23 LEU P 38 -15.299 7.199 7.158 1.00 3.61 H new ATOM 1610 N SER P 39 -12.711 11.332 6.635 1.00 2.24 N ATOM 1611 CA SER P 39 -11.879 12.513 6.507 1.00 2.25 C ATOM 1612 C SER P 39 -10.420 12.201 6.861 1.00 2.37 C ATOM 1613 O SER P 39 -9.755 12.984 7.551 1.00 2.46 O ATOM 1614 CB SER P 39 -12.469 13.692 7.287 1.00 2.47 C ATOM 1615 OG SER P 39 -13.869 13.787 7.057 1.00 2.63 O ATOM 0 H SER P 39 -12.994 10.961 5.728 1.00 2.24 H new ATOM 0 HA SER P 39 -11.870 12.826 5.463 1.00 2.25 H new ATOM 0 HB2 SER P 39 -12.277 13.564 8.352 1.00 2.47 H new ATOM 0 HB3 SER P 39 -11.980 14.618 6.984 1.00 2.47 H new ATOM 0 HG SER P 39 -14.086 13.387 6.189 1.00 2.63 H new ATOM 1621 N LEU P 40 -9.916 11.077 6.340 1.00 2.48 N ATOM 1622 CA LEU P 40 -8.493 10.909 6.065 1.00 2.41 C ATOM 1623 C LEU P 40 -8.276 11.536 4.681 1.00 2.36 C ATOM 1624 O LEU P 40 -8.626 12.703 4.502 1.00 2.97 O ATOM 1625 CB LEU P 40 -8.076 9.428 6.179 1.00 2.13 C ATOM 1626 CG LEU P 40 -8.261 8.835 7.591 1.00 2.38 C ATOM 1627 CD1 LEU P 40 -7.645 7.429 7.676 1.00 2.29 C ATOM 1628 CD2 LEU P 40 -7.592 9.703 8.661 1.00 2.77 C ATOM 0 H LEU P 40 -10.484 10.264 6.100 1.00 2.48 H new ATOM 0 HA LEU P 40 -7.851 11.406 6.793 1.00 2.41 H new ATOM 0 HB2 LEU P 40 -8.659 8.841 5.469 1.00 2.13 H new ATOM 0 HB3 LEU P 40 -7.030 9.332 5.889 1.00 2.13 H new ATOM 0 HG LEU P 40 -9.335 8.794 7.772 1.00 2.38 H new ATOM 0 HD11 LEU P 40 -7.787 7.030 8.680 1.00 2.29 H new ATOM 0 HD12 LEU P 40 -8.132 6.774 6.953 1.00 2.29 H new ATOM 0 HD13 LEU P 40 -6.579 7.485 7.455 1.00 2.29 H new ATOM 0 HD21 LEU P 40 -7.744 9.253 9.642 1.00 2.77 H new ATOM 0 HD22 LEU P 40 -6.524 9.774 8.456 1.00 2.77 H new ATOM 0 HD23 LEU P 40 -8.031 10.700 8.647 1.00 2.77 H new ATOM 1640 N THR P 41 -7.789 10.788 3.687 1.00 2.10 N ATOM 1641 CA THR P 41 -7.806 11.205 2.289 1.00 2.02 C ATOM 1642 C THR P 41 -8.001 9.978 1.395 1.00 1.56 C ATOM 1643 O THR P 41 -7.853 8.846 1.862 1.00 1.32 O ATOM 1644 CB THR P 41 -6.518 11.950 1.918 1.00 2.21 C ATOM 1645 OG1 THR P 41 -5.371 11.192 2.251 1.00 2.00 O ATOM 1646 CG2 THR P 41 -6.419 13.329 2.567 1.00 2.91 C ATOM 0 H THR P 41 -7.370 9.870 3.835 1.00 2.10 H new ATOM 0 HA THR P 41 -8.636 11.895 2.137 1.00 2.02 H new ATOM 0 HB THR P 41 -6.561 12.092 0.838 1.00 2.21 H new ATOM 0 HG1 THR P 41 -5.313 11.098 3.225 1.00 2.00 H new ATOM 0 HG21 THR P 41 -5.486 13.806 2.267 1.00 2.91 H new ATOM 0 HG22 THR P 41 -7.261 13.943 2.247 1.00 2.91 H new ATOM 0 HG23 THR P 41 -6.439 13.223 3.652 1.00 2.91 H new ATOM 1654 N GLU P 42 -8.362 10.197 0.126 1.00 1.59 N ATOM 1655 CA GLU P 42 -8.737 9.134 -0.799 1.00 1.39 C ATOM 1656 C GLU P 42 -7.596 8.128 -0.935 1.00 1.12 C ATOM 1657 O GLU P 42 -7.797 6.924 -0.755 1.00 0.92 O ATOM 1658 CB GLU P 42 -9.241 9.733 -2.125 1.00 1.78 C ATOM 1659 CG GLU P 42 -10.349 8.895 -2.790 1.00 1.83 C ATOM 1660 CD GLU P 42 -9.814 7.914 -3.813 1.00 2.92 C ATOM 1661 OE1 GLU P 42 -8.790 7.260 -3.525 1.00 4.09 O ATOM 1662 OE2 GLU P 42 -10.429 7.791 -4.891 1.00 3.33 O ATOM 0 H GLU P 42 -8.401 11.129 -0.287 1.00 1.59 H new ATOM 0 HA GLU P 42 -9.578 8.563 -0.406 1.00 1.39 H new ATOM 0 HB2 GLU P 42 -9.617 10.739 -1.941 1.00 1.78 H new ATOM 0 HB3 GLU P 42 -8.403 9.827 -2.815 1.00 1.78 H new ATOM 0 HG2 GLU P 42 -10.895 8.348 -2.021 1.00 1.83 H new ATOM 0 HG3 GLU P 42 -11.062 9.563 -3.273 1.00 1.83 H new ATOM 1669 N ARG P 43 -6.381 8.636 -1.155 1.00 1.21 N ATOM 1670 CA ARG P 43 -5.190 7.801 -1.170 1.00 1.03 C ATOM 1671 C ARG P 43 -5.130 6.962 0.108 1.00 0.84 C ATOM 1672 O ARG P 43 -5.005 5.744 0.060 1.00 0.70 O ATOM 1673 CB ARG P 43 -3.941 8.685 -1.280 1.00 1.18 C ATOM 1674 CG ARG P 43 -2.641 7.858 -1.312 1.00 1.13 C ATOM 1675 CD ARG P 43 -1.573 8.504 -0.424 1.00 1.55 C ATOM 1676 NE ARG P 43 -1.321 9.901 -0.826 1.00 1.67 N ATOM 1677 CZ ARG P 43 -1.331 10.979 -0.021 1.00 2.32 C ATOM 1678 NH1 ARG P 43 -1.583 10.863 1.281 1.00 3.69 N ATOM 1679 NH2 ARG P 43 -1.094 12.188 -0.521 1.00 2.64 N ATOM 0 H ARG P 43 -6.202 9.626 -1.325 1.00 1.21 H new ATOM 0 HA ARG P 43 -5.228 7.132 -2.030 1.00 1.03 H new ATOM 0 HB2 ARG P 43 -4.006 9.291 -2.184 1.00 1.18 H new ATOM 0 HB3 ARG P 43 -3.910 9.374 -0.436 1.00 1.18 H new ATOM 0 HG2 ARG P 43 -2.841 6.842 -0.971 1.00 1.13 H new ATOM 0 HG3 ARG P 43 -2.275 7.784 -2.336 1.00 1.13 H new ATOM 0 HD2 ARG P 43 -1.895 8.474 0.617 1.00 1.55 H new ATOM 0 HD3 ARG P 43 -0.648 7.931 -0.488 1.00 1.55 H new ATOM 0 HE ARG P 43 -1.119 10.066 -1.812 1.00 1.67 H new ATOM 0 HH11 ARG P 43 -1.773 9.945 1.684 1.00 3.69 H new ATOM 0 HH12 ARG P 43 -1.586 11.692 1.876 1.00 3.69 H new ATOM 0 HH21 ARG P 43 -0.904 12.300 -1.517 1.00 2.64 H new ATOM 0 HH22 ARG P 43 -1.102 13.004 0.091 1.00 2.64 H new ATOM 1693 N GLN P 44 -5.175 7.611 1.268 1.00 0.92 N ATOM 1694 CA GLN P 44 -4.897 6.925 2.517 1.00 0.88 C ATOM 1695 C GLN P 44 -5.875 5.782 2.760 1.00 0.83 C ATOM 1696 O GLN P 44 -5.459 4.733 3.233 1.00 0.81 O ATOM 1697 CB GLN P 44 -4.881 7.926 3.673 1.00 1.15 C ATOM 1698 CG GLN P 44 -3.618 8.779 3.543 1.00 1.38 C ATOM 1699 CD GLN P 44 -3.574 9.953 4.509 1.00 1.94 C ATOM 1700 OE1 GLN P 44 -4.611 10.496 4.887 1.00 2.53 O ATOM 1701 NE2 GLN P 44 -2.371 10.383 4.850 1.00 2.31 N ATOM 0 H GLN P 44 -5.399 8.601 1.365 1.00 0.92 H new ATOM 0 HA GLN P 44 -3.908 6.472 2.451 1.00 0.88 H new ATOM 0 HB2 GLN P 44 -5.770 8.555 3.644 1.00 1.15 H new ATOM 0 HB3 GLN P 44 -4.891 7.404 4.630 1.00 1.15 H new ATOM 0 HG2 GLN P 44 -2.745 8.148 3.711 1.00 1.38 H new ATOM 0 HG3 GLN P 44 -3.548 9.156 2.523 1.00 1.38 H new ATOM 0 HE21 GLN P 44 -1.541 9.898 4.510 1.00 2.31 H new ATOM 0 HE22 GLN P 44 -2.273 11.200 5.453 1.00 2.31 H new ATOM 1710 N ILE P 45 -7.154 5.938 2.414 1.00 0.88 N ATOM 1711 CA ILE P 45 -8.072 4.809 2.505 1.00 0.86 C ATOM 1712 C ILE P 45 -7.569 3.646 1.650 1.00 0.84 C ATOM 1713 O ILE P 45 -7.467 2.524 2.147 1.00 1.08 O ATOM 1714 CB ILE P 45 -9.497 5.209 2.106 1.00 0.96 C ATOM 1715 CG1 ILE P 45 -10.073 6.306 3.011 1.00 1.22 C ATOM 1716 CG2 ILE P 45 -10.419 3.982 2.122 1.00 0.99 C ATOM 1717 CD1 ILE P 45 -9.948 6.056 4.517 1.00 1.36 C ATOM 0 H ILE P 45 -7.566 6.809 2.078 1.00 0.88 H new ATOM 0 HA ILE P 45 -8.106 4.485 3.545 1.00 0.86 H new ATOM 0 HB ILE P 45 -9.442 5.614 1.096 1.00 0.96 H new ATOM 0 HG12 ILE P 45 -9.574 7.246 2.774 1.00 1.22 H new ATOM 0 HG13 ILE P 45 -11.128 6.435 2.769 1.00 1.22 H new ATOM 0 HG21 ILE P 45 -11.428 4.281 1.837 1.00 0.99 H new ATOM 0 HG22 ILE P 45 -10.048 3.239 1.417 1.00 0.99 H new ATOM 0 HG23 ILE P 45 -10.437 3.554 3.124 1.00 0.99 H new ATOM 0 HD11 ILE P 45 -10.386 6.892 5.062 1.00 1.36 H new ATOM 0 HD12 ILE P 45 -10.473 5.137 4.778 1.00 1.36 H new ATOM 0 HD13 ILE P 45 -8.895 5.961 4.784 1.00 1.36 H new ATOM 1729 N LYS P 46 -7.257 3.907 0.374 1.00 0.72 N ATOM 1730 CA LYS P 46 -6.716 2.895 -0.532 1.00 0.71 C ATOM 1731 C LYS P 46 -5.620 2.123 0.200 1.00 0.59 C ATOM 1732 O LYS P 46 -5.703 0.911 0.381 1.00 0.58 O ATOM 1733 CB LYS P 46 -6.137 3.572 -1.789 1.00 0.97 C ATOM 1734 CG LYS P 46 -5.794 2.588 -2.908 1.00 1.39 C ATOM 1735 CD LYS P 46 -5.062 3.341 -4.032 1.00 1.67 C ATOM 1736 CE LYS P 46 -4.927 2.502 -5.311 1.00 1.82 C ATOM 1737 NZ LYS P 46 -3.839 2.992 -6.185 1.00 2.46 N ATOM 0 H LYS P 46 -7.374 4.825 -0.055 1.00 0.72 H new ATOM 0 HA LYS P 46 -7.506 2.211 -0.841 1.00 0.71 H new ATOM 0 HB2 LYS P 46 -6.856 4.300 -2.164 1.00 0.97 H new ATOM 0 HB3 LYS P 46 -5.239 4.124 -1.513 1.00 0.97 H new ATOM 0 HG2 LYS P 46 -5.166 1.784 -2.523 1.00 1.39 H new ATOM 0 HG3 LYS P 46 -6.703 2.126 -3.294 1.00 1.39 H new ATOM 0 HD2 LYS P 46 -5.601 4.261 -4.260 1.00 1.67 H new ATOM 0 HD3 LYS P 46 -4.070 3.631 -3.685 1.00 1.67 H new ATOM 0 HE2 LYS P 46 -4.737 1.463 -5.044 1.00 1.82 H new ATOM 0 HE3 LYS P 46 -5.869 2.523 -5.859 1.00 1.82 H new ATOM 0 HZ1 LYS P 46 -3.783 2.397 -7.036 1.00 2.46 H new ATOM 0 HZ2 LYS P 46 -4.032 3.976 -6.462 1.00 2.46 H new ATOM 0 HZ3 LYS P 46 -2.935 2.948 -5.672 1.00 2.46 H new ATOM 1751 N ILE P 47 -4.620 2.862 0.672 1.00 0.63 N ATOM 1752 CA ILE P 47 -3.462 2.299 1.335 1.00 0.64 C ATOM 1753 C ILE P 47 -3.854 1.537 2.592 1.00 0.59 C ATOM 1754 O ILE P 47 -3.325 0.460 2.826 1.00 0.66 O ATOM 1755 CB ILE P 47 -2.411 3.388 1.591 1.00 0.74 C ATOM 1756 CG1 ILE P 47 -2.001 4.073 0.275 1.00 0.72 C ATOM 1757 CG2 ILE P 47 -1.180 2.798 2.286 1.00 0.82 C ATOM 1758 CD1 ILE P 47 -1.759 3.111 -0.894 1.00 0.67 C ATOM 0 H ILE P 47 -4.597 3.879 0.601 1.00 0.63 H new ATOM 0 HA ILE P 47 -3.003 1.563 0.675 1.00 0.64 H new ATOM 0 HB ILE P 47 -2.855 4.137 2.246 1.00 0.74 H new ATOM 0 HG12 ILE P 47 -2.779 4.781 -0.009 1.00 0.72 H new ATOM 0 HG13 ILE P 47 -1.093 4.650 0.448 1.00 0.72 H new ATOM 0 HG21 ILE P 47 -0.447 3.586 2.458 1.00 0.82 H new ATOM 0 HG22 ILE P 47 -1.475 2.362 3.240 1.00 0.82 H new ATOM 0 HG23 ILE P 47 -0.741 2.026 1.654 1.00 0.82 H new ATOM 0 HD11 ILE P 47 -1.475 3.679 -1.780 1.00 0.67 H new ATOM 0 HD12 ILE P 47 -0.959 2.418 -0.635 1.00 0.67 H new ATOM 0 HD13 ILE P 47 -2.671 2.551 -1.099 1.00 0.67 H new ATOM 1770 N TRP P 48 -4.773 2.042 3.407 1.00 0.55 N ATOM 1771 CA TRP P 48 -5.163 1.344 4.619 1.00 0.62 C ATOM 1772 C TRP P 48 -5.715 -0.033 4.252 1.00 0.50 C ATOM 1773 O TRP P 48 -5.278 -1.047 4.788 1.00 0.63 O ATOM 1774 CB TRP P 48 -6.164 2.174 5.433 1.00 0.77 C ATOM 1775 CG TRP P 48 -6.386 1.658 6.824 1.00 0.99 C ATOM 1776 CD1 TRP P 48 -5.784 2.129 7.939 1.00 1.25 C ATOM 1777 CD2 TRP P 48 -7.214 0.537 7.261 1.00 1.05 C ATOM 1778 NE1 TRP P 48 -6.173 1.378 9.030 1.00 1.43 N ATOM 1779 CE2 TRP P 48 -7.052 0.374 8.672 1.00 1.32 C ATOM 1780 CE3 TRP P 48 -8.091 -0.356 6.607 1.00 0.98 C ATOM 1781 CZ2 TRP P 48 -7.715 -0.633 9.393 1.00 1.47 C ATOM 1782 CZ3 TRP P 48 -8.756 -1.371 7.316 1.00 1.17 C ATOM 1783 CH2 TRP P 48 -8.567 -1.510 8.703 1.00 1.38 C ATOM 0 H TRP P 48 -5.257 2.926 3.250 1.00 0.55 H new ATOM 0 HA TRP P 48 -4.290 1.203 5.257 1.00 0.62 H new ATOM 0 HB2 TRP P 48 -5.808 3.203 5.489 1.00 0.77 H new ATOM 0 HB3 TRP P 48 -7.118 2.195 4.906 1.00 0.77 H new ATOM 0 HD1 TRP P 48 -5.102 2.966 7.971 1.00 1.25 H new ATOM 0 HE1 TRP P 48 -5.851 1.544 9.983 1.00 1.43 H new ATOM 0 HE3 TRP P 48 -8.253 -0.257 5.544 1.00 0.98 H new ATOM 0 HZ2 TRP P 48 -7.572 -0.731 10.459 1.00 1.47 H new ATOM 0 HZ3 TRP P 48 -9.416 -2.048 6.793 1.00 1.17 H new ATOM 0 HH2 TRP P 48 -9.080 -2.295 9.239 1.00 1.38 H new ATOM 1794 N PHE P 49 -6.646 -0.088 3.298 1.00 0.41 N ATOM 1795 CA PHE P 49 -7.260 -1.345 2.879 1.00 0.49 C ATOM 1796 C PHE P 49 -6.190 -2.270 2.308 1.00 0.46 C ATOM 1797 O PHE P 49 -6.070 -3.418 2.729 1.00 0.50 O ATOM 1798 CB PHE P 49 -8.379 -1.106 1.854 1.00 0.70 C ATOM 1799 CG PHE P 49 -9.746 -0.888 2.474 1.00 0.90 C ATOM 1800 CD1 PHE P 49 -10.141 0.396 2.886 1.00 2.29 C ATOM 1801 CD2 PHE P 49 -10.624 -1.977 2.644 1.00 2.86 C ATOM 1802 CE1 PHE P 49 -11.446 0.611 3.362 1.00 2.28 C ATOM 1803 CE2 PHE P 49 -11.907 -1.770 3.176 1.00 3.17 C ATOM 1804 CZ PHE P 49 -12.330 -0.470 3.501 1.00 1.64 C ATOM 0 H PHE P 49 -6.992 0.731 2.799 1.00 0.41 H new ATOM 0 HA PHE P 49 -7.714 -1.818 3.750 1.00 0.49 H new ATOM 0 HB2 PHE P 49 -8.123 -0.237 1.248 1.00 0.70 H new ATOM 0 HB3 PHE P 49 -8.429 -1.961 1.180 1.00 0.70 H new ATOM 0 HD1 PHE P 49 -9.442 1.218 2.837 1.00 2.29 H new ATOM 0 HD2 PHE P 49 -10.310 -2.972 2.365 1.00 2.86 H new ATOM 0 HE1 PHE P 49 -11.769 1.609 3.621 1.00 2.28 H new ATOM 0 HE2 PHE P 49 -12.568 -2.609 3.335 1.00 3.17 H new ATOM 0 HZ PHE P 49 -13.336 -0.303 3.858 1.00 1.64 H new ATOM 1814 N GLN P 50 -5.420 -1.755 1.349 1.00 0.52 N ATOM 1815 CA GLN P 50 -4.307 -2.441 0.709 1.00 0.67 C ATOM 1816 C GLN P 50 -3.434 -3.087 1.791 1.00 0.62 C ATOM 1817 O GLN P 50 -3.361 -4.304 1.912 1.00 0.68 O ATOM 1818 CB GLN P 50 -3.542 -1.406 -0.140 1.00 0.85 C ATOM 1819 CG GLN P 50 -2.528 -2.011 -1.108 1.00 1.05 C ATOM 1820 CD GLN P 50 -1.781 -0.941 -1.896 1.00 2.60 C ATOM 1821 OE1 GLN P 50 -2.185 -0.599 -3.005 1.00 3.60 O ATOM 1822 NE2 GLN P 50 -0.672 -0.440 -1.375 1.00 3.65 N ATOM 0 H GLN P 50 -5.563 -0.813 0.986 1.00 0.52 H new ATOM 0 HA GLN P 50 -4.641 -3.241 0.049 1.00 0.67 H new ATOM 0 HB2 GLN P 50 -4.262 -0.817 -0.708 1.00 0.85 H new ATOM 0 HB3 GLN P 50 -3.023 -0.718 0.528 1.00 0.85 H new ATOM 0 HG2 GLN P 50 -1.813 -2.617 -0.552 1.00 1.05 H new ATOM 0 HG3 GLN P 50 -3.041 -2.679 -1.800 1.00 1.05 H new ATOM 0 HE21 GLN P 50 -0.360 -0.742 -0.452 1.00 3.65 H new ATOM 0 HE22 GLN P 50 -0.129 0.248 -1.897 1.00 3.65 H new ATOM 1831 N ASN P 51 -2.841 -2.255 2.640 1.00 0.64 N ATOM 1832 CA ASN P 51 -1.912 -2.667 3.683 1.00 0.85 C ATOM 1833 C ASN P 51 -2.563 -3.687 4.604 1.00 0.82 C ATOM 1834 O ASN P 51 -2.069 -4.801 4.743 1.00 1.12 O ATOM 1835 CB ASN P 51 -1.437 -1.443 4.476 1.00 1.12 C ATOM 1836 CG ASN P 51 -0.796 -1.786 5.818 1.00 2.46 C ATOM 1837 OD1 ASN P 51 -1.064 -1.112 6.808 1.00 3.69 O ATOM 1838 ND2 ASN P 51 0.022 -2.827 5.901 1.00 3.29 N ATOM 0 H ASN P 51 -2.998 -1.247 2.620 1.00 0.64 H new ATOM 0 HA ASN P 51 -1.046 -3.137 3.217 1.00 0.85 H new ATOM 0 HB2 ASN P 51 -0.719 -0.888 3.873 1.00 1.12 H new ATOM 0 HB3 ASN P 51 -2.286 -0.782 4.649 1.00 1.12 H new ATOM 0 HD21 ASN P 51 0.439 -3.078 6.798 1.00 3.29 H new ATOM 0 HD22 ASN P 51 0.234 -3.377 5.068 1.00 3.29 H new ATOM 1845 N ARG P 52 -3.671 -3.309 5.237 1.00 0.66 N ATOM 1846 CA ARG P 52 -4.313 -4.140 6.236 1.00 0.73 C ATOM 1847 C ARG P 52 -4.617 -5.514 5.655 1.00 0.68 C ATOM 1848 O ARG P 52 -4.310 -6.528 6.274 1.00 0.82 O ATOM 1849 CB ARG P 52 -5.574 -3.461 6.786 1.00 0.81 C ATOM 1850 CG ARG P 52 -6.027 -4.039 8.135 1.00 1.07 C ATOM 1851 CD ARG P 52 -5.051 -3.655 9.253 1.00 1.53 C ATOM 1852 NE ARG P 52 -5.659 -3.731 10.595 1.00 2.72 N ATOM 1853 CZ ARG P 52 -4.973 -3.404 11.704 1.00 3.32 C ATOM 1854 NH1 ARG P 52 -3.690 -3.059 11.597 1.00 3.38 N ATOM 1855 NH2 ARG P 52 -5.556 -3.432 12.894 1.00 4.48 N ATOM 0 H ARG P 52 -4.143 -2.420 5.068 1.00 0.66 H new ATOM 0 HA ARG P 52 -3.631 -4.274 7.076 1.00 0.73 H new ATOM 0 HB2 ARG P 52 -5.385 -2.394 6.899 1.00 0.81 H new ATOM 0 HB3 ARG P 52 -6.382 -3.567 6.062 1.00 0.81 H new ATOM 0 HG2 ARG P 52 -7.024 -3.671 8.376 1.00 1.07 H new ATOM 0 HG3 ARG P 52 -6.096 -5.125 8.065 1.00 1.07 H new ATOM 0 HD2 ARG P 52 -4.184 -4.314 9.214 1.00 1.53 H new ATOM 0 HD3 ARG P 52 -4.689 -2.642 9.080 1.00 1.53 H new ATOM 0 HE ARG P 52 -6.627 -4.040 10.684 1.00 2.72 H new ATOM 0 HH11 ARG P 52 -3.240 -3.045 10.682 1.00 3.38 H new ATOM 0 HH12 ARG P 52 -3.158 -2.809 12.430 1.00 3.38 H new ATOM 0 HH21 ARG P 52 -6.536 -3.704 12.976 1.00 4.48 H new ATOM 0 HH22 ARG P 52 -5.025 -3.182 13.728 1.00 4.48 H new ATOM 1869 N ARG P 53 -5.210 -5.565 4.461 1.00 0.65 N ATOM 1870 CA ARG P 53 -5.603 -6.817 3.855 1.00 0.88 C ATOM 1871 C ARG P 53 -4.378 -7.638 3.465 1.00 0.99 C ATOM 1872 O ARG P 53 -4.308 -8.832 3.736 1.00 1.15 O ATOM 1873 CB ARG P 53 -6.530 -6.543 2.670 1.00 1.28 C ATOM 1874 CG ARG P 53 -7.210 -7.848 2.259 1.00 1.58 C ATOM 1875 CD ARG P 53 -8.517 -7.586 1.504 1.00 2.04 C ATOM 1876 NE ARG P 53 -8.279 -6.938 0.211 1.00 1.76 N ATOM 1877 CZ ARG P 53 -7.923 -7.570 -0.915 1.00 2.34 C ATOM 1878 NH1 ARG P 53 -7.740 -8.887 -0.939 1.00 3.66 N ATOM 1879 NH2 ARG P 53 -7.755 -6.847 -2.011 1.00 3.26 N ATOM 0 H ARG P 53 -5.425 -4.741 3.899 1.00 0.65 H new ATOM 0 HA ARG P 53 -6.157 -7.416 4.577 1.00 0.88 H new ATOM 0 HB2 ARG P 53 -7.278 -5.798 2.941 1.00 1.28 H new ATOM 0 HB3 ARG P 53 -5.962 -6.135 1.834 1.00 1.28 H new ATOM 0 HG2 ARG P 53 -6.535 -8.429 1.630 1.00 1.58 H new ATOM 0 HG3 ARG P 53 -7.415 -8.448 3.146 1.00 1.58 H new ATOM 0 HD2 ARG P 53 -9.041 -8.529 1.347 1.00 2.04 H new ATOM 0 HD3 ARG P 53 -9.168 -6.957 2.111 1.00 2.04 H new ATOM 0 HE ARG P 53 -8.394 -5.925 0.165 1.00 1.76 H new ATOM 0 HH11 ARG P 53 -7.871 -9.436 -0.089 1.00 3.66 H new ATOM 0 HH12 ARG P 53 -7.469 -9.348 -1.807 1.00 3.66 H new ATOM 0 HH21 ARG P 53 -7.897 -5.837 -1.983 1.00 3.26 H new ATOM 0 HH22 ARG P 53 -7.484 -7.300 -2.884 1.00 3.26 H new ATOM 1893 N MET P 54 -3.385 -7.014 2.841 1.00 1.09 N ATOM 1894 CA MET P 54 -2.226 -7.747 2.356 1.00 1.47 C ATOM 1895 C MET P 54 -1.425 -8.312 3.529 1.00 1.53 C ATOM 1896 O MET P 54 -0.914 -9.434 3.476 1.00 1.84 O ATOM 1897 CB MET P 54 -1.375 -6.839 1.466 1.00 1.85 C ATOM 1898 CG MET P 54 -1.930 -6.774 0.037 1.00 2.15 C ATOM 1899 SD MET P 54 -3.710 -6.490 -0.192 1.00 3.19 S ATOM 1900 CE MET P 54 -3.827 -6.747 -1.963 1.00 2.59 C ATOM 0 H MET P 54 -3.361 -6.010 2.661 1.00 1.09 H new ATOM 0 HA MET P 54 -2.555 -8.593 1.753 1.00 1.47 H new ATOM 0 HB2 MET P 54 -1.344 -5.836 1.892 1.00 1.85 H new ATOM 0 HB3 MET P 54 -0.349 -7.208 1.443 1.00 1.85 H new ATOM 0 HG2 MET P 54 -1.398 -5.981 -0.489 1.00 2.15 H new ATOM 0 HG3 MET P 54 -1.678 -7.711 -0.459 1.00 2.15 H new ATOM 0 HE1 MET P 54 -4.860 -6.612 -2.283 1.00 2.59 H new ATOM 0 HE2 MET P 54 -3.190 -6.027 -2.478 1.00 2.59 H new ATOM 0 HE3 MET P 54 -3.502 -7.758 -2.206 1.00 2.59 H new ATOM 1910 N LYS P 55 -1.306 -7.520 4.592 1.00 1.42 N ATOM 1911 CA LYS P 55 -0.602 -7.884 5.804 1.00 1.66 C ATOM 1912 C LYS P 55 -1.407 -8.946 6.561 1.00 1.58 C ATOM 1913 O LYS P 55 -0.838 -9.903 7.087 1.00 1.91 O ATOM 1914 CB LYS P 55 -0.361 -6.609 6.625 1.00 1.76 C ATOM 1915 CG LYS P 55 0.757 -6.732 7.662 1.00 2.18 C ATOM 1916 CD LYS P 55 2.158 -6.675 7.025 1.00 3.55 C ATOM 1917 CE LYS P 55 3.244 -6.684 8.110 1.00 4.33 C ATOM 1918 NZ LYS P 55 4.604 -6.783 7.543 1.00 5.44 N ATOM 0 H LYS P 55 -1.710 -6.584 4.628 1.00 1.42 H new ATOM 0 HA LYS P 55 0.370 -8.326 5.586 1.00 1.66 H new ATOM 0 HB2 LYS P 55 -0.121 -5.792 5.944 1.00 1.76 H new ATOM 0 HB3 LYS P 55 -1.286 -6.338 7.135 1.00 1.76 H new ATOM 0 HG2 LYS P 55 0.660 -5.929 8.393 1.00 2.18 H new ATOM 0 HG3 LYS P 55 0.645 -7.671 8.203 1.00 2.18 H new ATOM 0 HD2 LYS P 55 2.295 -7.526 6.358 1.00 3.55 H new ATOM 0 HD3 LYS P 55 2.251 -5.775 6.417 1.00 3.55 H new ATOM 0 HE2 LYS P 55 3.167 -5.774 8.705 1.00 4.33 H new ATOM 0 HE3 LYS P 55 3.073 -7.522 8.785 1.00 4.33 H new ATOM 0 HZ1 LYS P 55 5.302 -6.785 8.314 1.00 5.44 H new ATOM 0 HZ2 LYS P 55 4.689 -7.664 6.996 1.00 5.44 H new ATOM 0 HZ3 LYS P 55 4.780 -5.970 6.919 1.00 5.44 H new ATOM 1932 N TRP P 56 -2.738 -8.819 6.611 1.00 1.32 N ATOM 1933 CA TRP P 56 -3.635 -9.847 7.035 1.00 1.46 C ATOM 1934 C TRP P 56 -3.318 -11.133 6.295 1.00 1.72 C ATOM 1935 O TRP P 56 -2.762 -11.211 5.200 1.00 2.92 O ATOM 1936 CB TRP P 56 -5.128 -9.443 6.855 1.00 1.28 C ATOM 1937 CG TRP P 56 -6.198 -10.522 6.779 1.00 1.68 C ATOM 1938 CD1 TRP P 56 -7.171 -10.771 7.687 1.00 1.99 C ATOM 1939 CD2 TRP P 56 -6.463 -11.467 5.690 1.00 2.04 C ATOM 1940 NE1 TRP P 56 -7.948 -11.834 7.282 1.00 2.47 N ATOM 1941 CE2 TRP P 56 -7.556 -12.309 6.054 1.00 2.51 C ATOM 1942 CE3 TRP P 56 -5.871 -11.718 4.439 1.00 2.19 C ATOM 1943 CZ2 TRP P 56 -8.014 -13.354 5.234 1.00 3.02 C ATOM 1944 CZ3 TRP P 56 -6.327 -12.749 3.597 1.00 2.73 C ATOM 1945 CH2 TRP P 56 -7.374 -13.590 4.007 1.00 3.11 C ATOM 0 H TRP P 56 -3.216 -7.958 6.343 1.00 1.32 H new ATOM 0 HA TRP P 56 -3.490 -10.003 8.104 1.00 1.46 H new ATOM 0 HB2 TRP P 56 -5.389 -8.784 7.683 1.00 1.28 H new ATOM 0 HB3 TRP P 56 -5.197 -8.851 5.942 1.00 1.28 H new ATOM 0 HD1 TRP P 56 -7.317 -10.214 8.601 1.00 1.99 H new ATOM 0 HE1 TRP P 56 -8.719 -12.221 7.827 1.00 2.47 H new ATOM 0 HE3 TRP P 56 -5.044 -11.103 4.116 1.00 2.19 H new ATOM 0 HZ2 TRP P 56 -8.847 -13.967 5.543 1.00 3.02 H new ATOM 0 HZ3 TRP P 56 -5.869 -12.894 2.630 1.00 2.73 H new ATOM 0 HH2 TRP P 56 -7.685 -14.414 3.382 1.00 3.11 H new