USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: P 44 GLN : amide:sc= 0.888 K(o=0.89,f=-5.6!) USER MOD Set 2.1: P 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: P 50 GLN : amide:sc= -0.162 X(o=-0.25,f=-0.38) USER MOD Set 2.3: P 54 MET CE :methyl -118:sc= -0.0853 (180deg=-0.354) USER MOD Set 3.1: P 9 THR OG1 : rot -74:sc= 0.774 USER MOD Set 3.2: P 12 GLN : amide:sc= 0.704 K(o=1.5,f=-1.5!) USER MOD Single : P 7 THR OG1 : rot 35:sc= 0.469 USER MOD Single : P 8 TYR OH : rot 30:sc= 0 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 13 THR OG1 : rot 92:sc= 0.905 USER MOD Single : P 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 23 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.12) USER MOD Single : P 27 THR OG1 : rot 180:sc= 0 USER MOD Single : P 36 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : P 39 SER OG : rot 180:sc= 0 USER MOD Single : P 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 0.712 10.813 8.711 1.00 3.35 N ATOM 1027 CA THR P 7 0.495 10.617 10.144 1.00 3.43 C ATOM 1028 C THR P 7 -0.982 10.616 10.549 1.00 3.24 C ATOM 1029 O THR P 7 -1.530 11.618 11.017 1.00 3.35 O ATOM 1030 CB THR P 7 1.278 11.681 10.910 1.00 4.15 C ATOM 1031 OG1 THR P 7 2.558 11.847 10.329 1.00 5.14 O ATOM 1032 CG2 THR P 7 1.441 11.307 12.388 1.00 3.82 C ATOM 0 HA THR P 7 0.859 9.622 10.400 1.00 3.43 H new ATOM 0 HB THR P 7 0.715 12.612 10.851 1.00 4.15 H new ATOM 0 HG1 THR P 7 2.496 11.723 9.359 1.00 5.14 H new ATOM 0 HG21 THR P 7 2.003 12.087 12.901 1.00 3.82 H new ATOM 0 HG22 THR P 7 0.458 11.206 12.848 1.00 3.82 H new ATOM 0 HG23 THR P 7 1.978 10.362 12.467 1.00 3.82 H new ATOM 1040 N TYR P 8 -1.624 9.474 10.355 1.00 3.04 N ATOM 1041 CA TYR P 8 -3.017 9.289 10.726 1.00 2.88 C ATOM 1042 C TYR P 8 -3.095 9.449 12.245 1.00 3.20 C ATOM 1043 O TYR P 8 -2.215 8.955 12.954 1.00 3.56 O ATOM 1044 CB TYR P 8 -3.521 7.898 10.309 1.00 2.54 C ATOM 1045 CG TYR P 8 -3.732 7.598 8.827 1.00 2.11 C ATOM 1046 CD1 TYR P 8 -2.917 8.154 7.817 1.00 2.87 C ATOM 1047 CD2 TYR P 8 -4.702 6.640 8.471 1.00 2.25 C ATOM 1048 CE1 TYR P 8 -3.025 7.704 6.488 1.00 2.61 C ATOM 1049 CE2 TYR P 8 -4.844 6.238 7.131 1.00 2.27 C ATOM 1050 CZ TYR P 8 -3.957 6.711 6.153 1.00 1.75 C ATOM 1051 OH TYR P 8 -4.021 6.196 4.892 1.00 1.85 O ATOM 0 H TYR P 8 -1.193 8.650 9.936 1.00 3.04 H new ATOM 0 HA TYR P 8 -3.647 10.020 10.219 1.00 2.88 H new ATOM 0 HB2 TYR P 8 -2.815 7.163 10.696 1.00 2.54 H new ATOM 0 HB3 TYR P 8 -4.470 7.726 10.817 1.00 2.54 H new ATOM 0 HD1 TYR P 8 -2.207 8.929 8.066 1.00 2.87 H new ATOM 0 HD2 TYR P 8 -5.339 6.212 9.231 1.00 2.25 H new ATOM 0 HE1 TYR P 8 -2.388 8.125 5.724 1.00 2.61 H new ATOM 0 HE2 TYR P 8 -5.639 5.562 6.854 1.00 2.27 H new ATOM 0 HH TYR P 8 -3.132 6.226 4.481 1.00 1.85 H new ATOM 1061 N THR P 9 -4.100 10.154 12.753 1.00 3.16 N ATOM 1062 CA THR P 9 -4.389 10.129 14.177 1.00 3.33 C ATOM 1063 C THR P 9 -4.923 8.741 14.531 1.00 3.38 C ATOM 1064 O THR P 9 -5.336 7.987 13.641 1.00 3.46 O ATOM 1065 CB THR P 9 -5.427 11.211 14.498 1.00 3.23 C ATOM 1066 OG1 THR P 9 -6.546 11.077 13.641 1.00 3.00 O ATOM 1067 CG2 THR P 9 -4.826 12.612 14.351 1.00 3.37 C ATOM 0 H THR P 9 -4.723 10.745 12.202 1.00 3.16 H new ATOM 0 HA THR P 9 -3.491 10.330 14.762 1.00 3.33 H new ATOM 0 HB THR P 9 -5.744 11.081 15.533 1.00 3.23 H new ATOM 0 HG1 THR P 9 -6.308 11.385 12.742 1.00 3.00 H new ATOM 0 HG21 THR P 9 -5.584 13.359 14.585 1.00 3.37 H new ATOM 0 HG22 THR P 9 -3.986 12.721 15.036 1.00 3.37 H new ATOM 0 HG23 THR P 9 -4.480 12.754 13.327 1.00 3.37 H new ATOM 1075 N ARG P 10 -4.974 8.399 15.820 1.00 3.54 N ATOM 1076 CA ARG P 10 -5.708 7.204 16.207 1.00 3.55 C ATOM 1077 C ARG P 10 -7.154 7.347 15.743 1.00 3.49 C ATOM 1078 O ARG P 10 -7.646 6.477 15.038 1.00 3.38 O ATOM 1079 CB ARG P 10 -5.605 6.914 17.713 1.00 3.80 C ATOM 1080 CG ARG P 10 -4.240 6.317 18.089 1.00 5.11 C ATOM 1081 CD ARG P 10 -4.176 4.830 17.706 1.00 5.54 C ATOM 1082 NE ARG P 10 -2.800 4.299 17.715 1.00 6.98 N ATOM 1083 CZ ARG P 10 -2.469 3.146 17.115 1.00 8.03 C ATOM 1084 NH1 ARG P 10 -3.430 2.360 16.646 1.00 8.06 N ATOM 1085 NH2 ARG P 10 -1.201 2.772 16.981 1.00 9.37 N ATOM 0 H ARG P 10 -4.533 8.912 16.583 1.00 3.54 H new ATOM 0 HA ARG P 10 -5.260 6.339 15.719 1.00 3.55 H new ATOM 0 HB2 ARG P 10 -5.764 7.836 18.272 1.00 3.80 H new ATOM 0 HB3 ARG P 10 -6.396 6.223 18.005 1.00 3.80 H new ATOM 0 HG2 ARG P 10 -3.446 6.864 17.581 1.00 5.11 H new ATOM 0 HG3 ARG P 10 -4.070 6.430 19.160 1.00 5.11 H new ATOM 0 HD2 ARG P 10 -4.788 4.254 18.400 1.00 5.54 H new ATOM 0 HD3 ARG P 10 -4.607 4.696 16.714 1.00 5.54 H new ATOM 0 HE ARG P 10 -2.073 4.829 18.196 1.00 6.98 H new ATOM 0 HH11 ARG P 10 -4.407 2.635 16.744 1.00 8.06 H new ATOM 0 HH12 ARG P 10 -3.191 1.481 16.188 1.00 8.06 H new ATOM 0 HH21 ARG P 10 -0.453 3.367 17.338 1.00 9.37 H new ATOM 0 HH22 ARG P 10 -0.975 1.890 16.521 1.00 9.37 H new ATOM 1099 N TYR P 11 -7.809 8.456 16.082 1.00 3.59 N ATOM 1100 CA TYR P 11 -9.190 8.761 15.728 1.00 3.58 C ATOM 1101 C TYR P 11 -9.556 8.333 14.299 1.00 3.24 C ATOM 1102 O TYR P 11 -10.596 7.705 14.108 1.00 3.22 O ATOM 1103 CB TYR P 11 -9.423 10.257 15.976 1.00 3.78 C ATOM 1104 CG TYR P 11 -10.641 10.859 15.307 1.00 3.91 C ATOM 1105 CD1 TYR P 11 -11.888 10.871 15.956 1.00 4.16 C ATOM 1106 CD2 TYR P 11 -10.501 11.465 14.046 1.00 4.09 C ATOM 1107 CE1 TYR P 11 -12.990 11.490 15.340 1.00 4.43 C ATOM 1108 CE2 TYR P 11 -11.594 12.107 13.444 1.00 4.36 C ATOM 1109 CZ TYR P 11 -12.836 12.126 14.098 1.00 4.47 C ATOM 1110 OH TYR P 11 -13.927 12.657 13.481 1.00 4.78 O ATOM 0 H TYR P 11 -7.373 9.195 16.633 1.00 3.59 H new ATOM 0 HA TYR P 11 -9.859 8.176 16.359 1.00 3.58 H new ATOM 0 HB2 TYR P 11 -9.507 10.418 17.051 1.00 3.78 H new ATOM 0 HB3 TYR P 11 -8.541 10.802 15.639 1.00 3.78 H new ATOM 0 HD1 TYR P 11 -11.999 10.406 16.925 1.00 4.16 H new ATOM 0 HD2 TYR P 11 -9.548 11.436 13.539 1.00 4.09 H new ATOM 0 HE1 TYR P 11 -13.956 11.476 15.823 1.00 4.43 H new ATOM 0 HE2 TYR P 11 -11.480 12.584 12.482 1.00 4.36 H new ATOM 0 HH TYR P 11 -13.657 13.063 12.631 1.00 4.78 H new ATOM 1120 N GLN P 12 -8.730 8.651 13.299 1.00 3.02 N ATOM 1121 CA GLN P 12 -8.945 8.149 11.944 1.00 2.67 C ATOM 1122 C GLN P 12 -8.966 6.612 11.955 1.00 2.43 C ATOM 1123 O GLN P 12 -9.973 5.972 11.669 1.00 2.33 O ATOM 1124 CB GLN P 12 -7.836 8.678 11.021 1.00 2.59 C ATOM 1125 CG GLN P 12 -7.937 10.192 10.795 1.00 2.88 C ATOM 1126 CD GLN P 12 -6.620 10.749 10.274 1.00 3.07 C ATOM 1127 OE1 GLN P 12 -5.945 11.525 10.950 1.00 3.54 O ATOM 1128 NE2 GLN P 12 -6.214 10.328 9.087 1.00 3.42 N ATOM 0 H GLN P 12 -7.911 9.250 13.403 1.00 3.02 H new ATOM 0 HA GLN P 12 -9.906 8.500 11.568 1.00 2.67 H new ATOM 0 HB2 GLN P 12 -6.864 8.442 11.453 1.00 2.59 H new ATOM 0 HB3 GLN P 12 -7.891 8.165 10.061 1.00 2.59 H new ATOM 0 HG2 GLN P 12 -8.734 10.406 10.083 1.00 2.88 H new ATOM 0 HG3 GLN P 12 -8.202 10.687 11.729 1.00 2.88 H new ATOM 0 HE21 GLN P 12 -6.794 9.685 8.548 1.00 3.42 H new ATOM 0 HE22 GLN P 12 -5.321 10.647 8.711 1.00 3.42 H new ATOM 1137 N THR P 13 -7.827 6.025 12.300 1.00 2.59 N ATOM 1138 CA THR P 13 -7.589 4.594 12.388 1.00 2.49 C ATOM 1139 C THR P 13 -8.707 3.832 13.120 1.00 2.67 C ATOM 1140 O THR P 13 -9.073 2.732 12.719 1.00 2.61 O ATOM 1141 CB THR P 13 -6.219 4.411 13.052 1.00 2.66 C ATOM 1142 OG1 THR P 13 -5.358 5.435 12.578 1.00 2.78 O ATOM 1143 CG2 THR P 13 -5.594 3.061 12.705 1.00 2.51 C ATOM 0 H THR P 13 -6.998 6.569 12.539 1.00 2.59 H new ATOM 0 HA THR P 13 -7.592 4.158 11.389 1.00 2.49 H new ATOM 0 HB THR P 13 -6.352 4.458 14.133 1.00 2.66 H new ATOM 0 HG1 THR P 13 -5.397 6.202 13.186 1.00 2.78 H new ATOM 0 HG21 THR P 13 -4.625 2.972 13.196 1.00 2.51 H new ATOM 0 HG22 THR P 13 -6.248 2.259 13.046 1.00 2.51 H new ATOM 0 HG23 THR P 13 -5.462 2.988 11.625 1.00 2.51 H new ATOM 1151 N LEU P 14 -9.257 4.400 14.192 1.00 2.94 N ATOM 1152 CA LEU P 14 -10.266 3.759 15.024 1.00 3.17 C ATOM 1153 C LEU P 14 -11.470 3.278 14.209 1.00 3.07 C ATOM 1154 O LEU P 14 -11.840 2.103 14.295 1.00 3.10 O ATOM 1155 CB LEU P 14 -10.702 4.707 16.154 1.00 3.50 C ATOM 1156 CG LEU P 14 -9.643 4.950 17.243 1.00 4.30 C ATOM 1157 CD1 LEU P 14 -10.298 5.635 18.439 1.00 4.37 C ATOM 1158 CD2 LEU P 14 -8.945 3.680 17.729 1.00 5.11 C ATOM 0 H LEU P 14 -9.007 5.336 14.510 1.00 2.94 H new ATOM 0 HA LEU P 14 -9.815 2.870 15.465 1.00 3.17 H new ATOM 0 HB2 LEU P 14 -10.979 5.666 15.717 1.00 3.50 H new ATOM 0 HB3 LEU P 14 -11.598 4.301 16.624 1.00 3.50 H new ATOM 0 HG LEU P 14 -8.877 5.576 16.786 1.00 4.30 H new ATOM 0 HD11 LEU P 14 -9.550 5.809 19.213 1.00 4.37 H new ATOM 0 HD12 LEU P 14 -10.723 6.588 18.124 1.00 4.37 H new ATOM 0 HD13 LEU P 14 -11.089 4.998 18.835 1.00 4.37 H new ATOM 0 HD21 LEU P 14 -8.214 3.937 18.495 1.00 5.11 H new ATOM 0 HD22 LEU P 14 -9.684 2.996 18.147 1.00 5.11 H new ATOM 0 HD23 LEU P 14 -8.439 3.200 16.891 1.00 5.11 H new ATOM 1170 N GLU P 15 -12.095 4.169 13.438 1.00 2.98 N ATOM 1171 CA GLU P 15 -13.279 3.785 12.690 1.00 2.95 C ATOM 1172 C GLU P 15 -12.910 2.903 11.503 1.00 2.66 C ATOM 1173 O GLU P 15 -13.713 2.076 11.075 1.00 2.67 O ATOM 1174 CB GLU P 15 -14.076 5.016 12.276 1.00 3.02 C ATOM 1175 CG GLU P 15 -13.366 5.956 11.301 1.00 3.24 C ATOM 1176 CD GLU P 15 -14.257 7.163 11.110 1.00 3.65 C ATOM 1177 OE1 GLU P 15 -14.380 7.953 12.075 1.00 4.81 O ATOM 1178 OE2 GLU P 15 -14.947 7.220 10.075 1.00 3.30 O ATOM 0 H GLU P 15 -11.805 5.140 13.320 1.00 2.98 H new ATOM 0 HA GLU P 15 -13.924 3.189 13.336 1.00 2.95 H new ATOM 0 HB2 GLU P 15 -15.011 4.688 11.823 1.00 3.02 H new ATOM 0 HB3 GLU P 15 -14.337 5.578 13.173 1.00 3.02 H new ATOM 0 HG2 GLU P 15 -12.394 6.254 11.694 1.00 3.24 H new ATOM 0 HG3 GLU P 15 -13.186 5.457 10.349 1.00 3.24 H new ATOM 1185 N LEU P 16 -11.705 3.091 10.973 1.00 2.44 N ATOM 1186 CA LEU P 16 -11.174 2.301 9.883 1.00 2.21 C ATOM 1187 C LEU P 16 -10.992 0.835 10.317 1.00 2.20 C ATOM 1188 O LEU P 16 -11.397 -0.068 9.584 1.00 2.11 O ATOM 1189 CB LEU P 16 -9.882 2.959 9.387 1.00 2.07 C ATOM 1190 CG LEU P 16 -10.062 4.307 8.665 1.00 2.06 C ATOM 1191 CD1 LEU P 16 -8.688 4.966 8.485 1.00 2.06 C ATOM 1192 CD2 LEU P 16 -10.699 4.138 7.280 1.00 2.11 C ATOM 0 H LEU P 16 -11.063 3.813 11.300 1.00 2.44 H new ATOM 0 HA LEU P 16 -11.873 2.274 9.047 1.00 2.21 H new ATOM 0 HB2 LEU P 16 -9.220 3.109 10.240 1.00 2.07 H new ATOM 0 HB3 LEU P 16 -9.379 2.268 8.710 1.00 2.07 H new ATOM 0 HG LEU P 16 -10.723 4.923 9.275 1.00 2.06 H new ATOM 0 HD11 LEU P 16 -8.807 5.922 7.974 1.00 2.06 H new ATOM 0 HD12 LEU P 16 -8.233 5.131 9.462 1.00 2.06 H new ATOM 0 HD13 LEU P 16 -8.047 4.314 7.891 1.00 2.06 H new ATOM 0 HD21 LEU P 16 -10.807 5.114 6.808 1.00 2.11 H new ATOM 0 HD22 LEU P 16 -10.063 3.504 6.662 1.00 2.11 H new ATOM 0 HD23 LEU P 16 -11.680 3.675 7.385 1.00 2.11 H new ATOM 1204 N GLU P 17 -10.444 0.561 11.509 1.00 2.35 N ATOM 1205 CA GLU P 17 -10.443 -0.793 12.064 1.00 2.41 C ATOM 1206 C GLU P 17 -11.863 -1.350 12.146 1.00 2.63 C ATOM 1207 O GLU P 17 -12.089 -2.525 11.834 1.00 2.60 O ATOM 1208 CB GLU P 17 -9.765 -0.856 13.444 1.00 2.64 C ATOM 1209 CG GLU P 17 -8.229 -0.769 13.375 1.00 2.61 C ATOM 1210 CD GLU P 17 -7.524 -1.493 14.517 1.00 2.80 C ATOM 1211 OE1 GLU P 17 -8.168 -2.283 15.237 1.00 2.76 O ATOM 1212 OE2 GLU P 17 -6.299 -1.305 14.689 1.00 3.83 O ATOM 0 H GLU P 17 -9.998 1.259 12.104 1.00 2.35 H new ATOM 0 HA GLU P 17 -9.859 -1.413 11.383 1.00 2.41 H new ATOM 0 HB2 GLU P 17 -10.140 -0.041 14.063 1.00 2.64 H new ATOM 0 HB3 GLU P 17 -10.047 -1.786 13.937 1.00 2.64 H new ATOM 0 HG2 GLU P 17 -7.892 -1.189 12.427 1.00 2.61 H new ATOM 0 HG3 GLU P 17 -7.932 0.280 13.383 1.00 2.61 H new ATOM 1219 N LYS P 18 -12.800 -0.515 12.587 1.00 2.93 N ATOM 1220 CA LYS P 18 -14.200 -0.896 12.659 1.00 3.18 C ATOM 1221 C LYS P 18 -14.700 -1.310 11.265 1.00 3.02 C ATOM 1222 O LYS P 18 -15.296 -2.377 11.115 1.00 3.12 O ATOM 1223 CB LYS P 18 -15.029 0.218 13.321 1.00 3.49 C ATOM 1224 CG LYS P 18 -16.290 -0.350 13.981 1.00 3.09 C ATOM 1225 CD LYS P 18 -17.213 0.748 14.529 1.00 3.37 C ATOM 1226 CE LYS P 18 -16.601 1.527 15.709 1.00 4.46 C ATOM 1227 NZ LYS P 18 -17.575 2.452 16.326 1.00 5.06 N ATOM 0 H LYS P 18 -12.609 0.436 12.901 1.00 2.93 H new ATOM 0 HA LYS P 18 -14.321 -1.770 13.299 1.00 3.18 H new ATOM 0 HB2 LYS P 18 -14.423 0.731 14.068 1.00 3.49 H new ATOM 0 HB3 LYS P 18 -15.309 0.960 12.573 1.00 3.49 H new ATOM 0 HG2 LYS P 18 -16.837 -0.951 13.254 1.00 3.09 H new ATOM 0 HG3 LYS P 18 -16.002 -1.017 14.794 1.00 3.09 H new ATOM 0 HD2 LYS P 18 -17.451 1.446 13.727 1.00 3.37 H new ATOM 0 HD3 LYS P 18 -18.152 0.297 14.849 1.00 3.37 H new ATOM 0 HE2 LYS P 18 -16.242 0.824 16.461 1.00 4.46 H new ATOM 0 HE3 LYS P 18 -15.735 2.091 15.361 1.00 4.46 H new ATOM 0 HZ1 LYS P 18 -17.123 2.956 17.115 1.00 5.06 H new ATOM 0 HZ2 LYS P 18 -17.899 3.140 15.616 1.00 5.06 H new ATOM 0 HZ3 LYS P 18 -18.390 1.912 16.681 1.00 5.06 H new ATOM 1241 N GLU P 19 -14.433 -0.508 10.228 1.00 2.79 N ATOM 1242 CA GLU P 19 -14.777 -0.895 8.869 1.00 2.64 C ATOM 1243 C GLU P 19 -14.131 -2.234 8.508 1.00 2.55 C ATOM 1244 O GLU P 19 -14.837 -3.091 7.982 1.00 2.62 O ATOM 1245 CB GLU P 19 -14.395 0.170 7.834 1.00 2.36 C ATOM 1246 CG GLU P 19 -15.238 1.452 7.888 1.00 2.81 C ATOM 1247 CD GLU P 19 -16.721 1.233 7.643 1.00 3.13 C ATOM 1248 OE1 GLU P 19 -17.088 0.485 6.710 1.00 2.91 O ATOM 1249 OE2 GLU P 19 -17.538 1.755 8.431 1.00 4.14 O ATOM 0 H GLU P 19 -13.984 0.404 10.310 1.00 2.79 H new ATOM 0 HA GLU P 19 -15.862 -0.997 8.841 1.00 2.64 H new ATOM 0 HB2 GLU P 19 -13.347 0.435 7.976 1.00 2.36 H new ATOM 0 HB3 GLU P 19 -14.482 -0.264 6.838 1.00 2.36 H new ATOM 0 HG2 GLU P 19 -15.108 1.918 8.865 1.00 2.81 H new ATOM 0 HG3 GLU P 19 -14.858 2.155 7.146 1.00 2.81 H new ATOM 1256 N PHE P 20 -12.825 -2.404 8.749 1.00 2.42 N ATOM 1257 CA PHE P 20 -12.108 -3.633 8.405 1.00 2.38 C ATOM 1258 C PHE P 20 -12.831 -4.842 8.985 1.00 2.56 C ATOM 1259 O PHE P 20 -12.981 -5.857 8.309 1.00 2.60 O ATOM 1260 CB PHE P 20 -10.651 -3.606 8.901 1.00 2.34 C ATOM 1261 CG PHE P 20 -9.778 -4.759 8.411 1.00 2.18 C ATOM 1262 CD1 PHE P 20 -9.772 -5.984 9.106 1.00 2.55 C ATOM 1263 CD2 PHE P 20 -8.974 -4.620 7.261 1.00 2.32 C ATOM 1264 CE1 PHE P 20 -9.012 -7.067 8.633 1.00 2.44 C ATOM 1265 CE2 PHE P 20 -8.167 -5.690 6.819 1.00 2.15 C ATOM 1266 CZ PHE P 20 -8.181 -6.921 7.507 1.00 1.85 C ATOM 0 H PHE P 20 -12.239 -1.694 9.187 1.00 2.42 H new ATOM 0 HA PHE P 20 -12.087 -3.707 7.318 1.00 2.38 H new ATOM 0 HB2 PHE P 20 -10.195 -2.667 8.588 1.00 2.34 H new ATOM 0 HB3 PHE P 20 -10.655 -3.611 9.991 1.00 2.34 H new ATOM 0 HD1 PHE P 20 -10.355 -6.092 10.008 1.00 2.55 H new ATOM 0 HD2 PHE P 20 -8.976 -3.688 6.715 1.00 2.32 H new ATOM 0 HE1 PHE P 20 -9.066 -8.020 9.138 1.00 2.44 H new ATOM 0 HE2 PHE P 20 -7.537 -5.566 5.951 1.00 2.15 H new ATOM 0 HZ PHE P 20 -7.562 -7.741 7.174 1.00 1.85 H new ATOM 1276 N HIS P 21 -13.248 -4.746 10.250 1.00 2.82 N ATOM 1277 CA HIS P 21 -13.944 -5.832 10.916 1.00 3.07 C ATOM 1278 C HIS P 21 -15.153 -6.261 10.082 1.00 3.06 C ATOM 1279 O HIS P 21 -15.270 -7.426 9.706 1.00 3.08 O ATOM 1280 CB HIS P 21 -14.357 -5.416 12.333 1.00 3.24 C ATOM 1281 CG HIS P 21 -14.982 -6.549 13.105 1.00 3.66 C ATOM 1282 ND1 HIS P 21 -16.318 -6.684 13.415 1.00 4.49 N ATOM 1283 CD2 HIS P 21 -14.338 -7.683 13.524 1.00 3.77 C ATOM 1284 CE1 HIS P 21 -16.467 -7.875 14.021 1.00 4.77 C ATOM 1285 NE2 HIS P 21 -15.291 -8.524 14.107 1.00 4.22 N ATOM 0 H HIS P 21 -13.111 -3.919 10.830 1.00 2.82 H new ATOM 0 HA HIS P 21 -13.273 -6.686 11.008 1.00 3.07 H new ATOM 0 HB2 HIS P 21 -13.482 -5.052 12.872 1.00 3.24 H new ATOM 0 HB3 HIS P 21 -15.062 -4.587 12.274 1.00 3.24 H new ATOM 0 HD2 HIS P 21 -13.283 -7.890 13.422 1.00 3.77 H new ATOM 0 HE1 HIS P 21 -17.406 -8.260 14.390 1.00 4.77 H new ATOM 0 HE2 HIS P 21 -15.128 -9.444 14.515 1.00 4.22 H new ATOM 1293 N PHE P 22 -16.045 -5.317 9.789 1.00 3.08 N ATOM 1294 CA PHE P 22 -17.270 -5.571 9.085 1.00 3.15 C ATOM 1295 C PHE P 22 -16.998 -6.031 7.654 1.00 3.10 C ATOM 1296 O PHE P 22 -17.505 -7.072 7.239 1.00 3.24 O ATOM 1297 CB PHE P 22 -18.098 -4.289 9.162 1.00 3.18 C ATOM 1298 CG PHE P 22 -18.972 -4.242 10.396 1.00 4.67 C ATOM 1299 CD1 PHE P 22 -18.416 -3.850 11.625 1.00 6.45 C ATOM 1300 CD2 PHE P 22 -20.250 -4.830 10.362 1.00 4.85 C ATOM 1301 CE1 PHE P 22 -19.113 -4.080 12.823 1.00 8.03 C ATOM 1302 CE2 PHE P 22 -20.946 -5.064 11.560 1.00 6.25 C ATOM 1303 CZ PHE P 22 -20.371 -4.707 12.792 1.00 7.76 C ATOM 0 H PHE P 22 -15.920 -4.338 10.046 1.00 3.08 H new ATOM 0 HA PHE P 22 -17.830 -6.389 9.538 1.00 3.15 H new ATOM 0 HB2 PHE P 22 -17.430 -3.427 9.160 1.00 3.18 H new ATOM 0 HB3 PHE P 22 -18.724 -4.210 8.273 1.00 3.18 H new ATOM 0 HD1 PHE P 22 -17.449 -3.370 11.649 1.00 6.45 H new ATOM 0 HD2 PHE P 22 -20.695 -5.101 9.416 1.00 4.85 H new ATOM 0 HE1 PHE P 22 -18.683 -3.776 13.766 1.00 8.03 H new ATOM 0 HE2 PHE P 22 -21.925 -5.519 11.534 1.00 6.25 H new ATOM 0 HZ PHE P 22 -20.895 -4.914 13.713 1.00 7.76 H new ATOM 1313 N ASN P 23 -16.224 -5.271 6.884 1.00 2.94 N ATOM 1314 CA ASN P 23 -15.896 -5.587 5.500 1.00 2.89 C ATOM 1315 C ASN P 23 -14.508 -5.038 5.206 1.00 2.83 C ATOM 1316 O ASN P 23 -14.308 -3.826 5.224 1.00 2.88 O ATOM 1317 CB ASN P 23 -16.874 -4.959 4.499 1.00 2.78 C ATOM 1318 CG ASN P 23 -18.338 -5.171 4.819 1.00 3.45 C ATOM 1319 OD1 ASN P 23 -18.983 -6.082 4.299 1.00 4.41 O ATOM 1320 ND2 ASN P 23 -18.881 -4.303 5.659 1.00 3.86 N ATOM 0 H ASN P 23 -15.800 -4.403 7.212 1.00 2.94 H new ATOM 0 HA ASN P 23 -15.950 -6.670 5.386 1.00 2.89 H new ATOM 0 HB2 ASN P 23 -16.680 -3.888 4.447 1.00 2.78 H new ATOM 0 HB3 ASN P 23 -16.671 -5.368 3.509 1.00 2.78 H new ATOM 0 HD21 ASN P 23 -19.870 -4.375 5.898 1.00 3.86 H new ATOM 0 HD22 ASN P 23 -18.310 -3.563 6.067 1.00 3.86 H new ATOM 1327 N ARG P 24 -13.562 -5.913 4.894 1.00 3.12 N ATOM 1328 CA ARG P 24 -12.200 -5.536 4.570 1.00 3.19 C ATOM 1329 C ARG P 24 -12.179 -4.805 3.220 1.00 3.03 C ATOM 1330 O ARG P 24 -11.455 -3.818 3.041 1.00 2.95 O ATOM 1331 CB ARG P 24 -11.319 -6.793 4.605 1.00 3.59 C ATOM 1332 CG ARG P 24 -11.412 -7.475 5.980 1.00 3.93 C ATOM 1333 CD ARG P 24 -10.651 -8.804 6.040 1.00 3.90 C ATOM 1334 NE ARG P 24 -11.297 -9.840 5.220 1.00 3.83 N ATOM 1335 CZ ARG P 24 -12.366 -10.580 5.557 1.00 4.37 C ATOM 1336 NH1 ARG P 24 -12.959 -10.425 6.741 1.00 5.64 N ATOM 1337 NH2 ARG P 24 -12.809 -11.487 4.692 1.00 4.28 N ATOM 0 H ARG P 24 -13.725 -6.919 4.859 1.00 3.12 H new ATOM 0 HA ARG P 24 -11.793 -4.839 5.302 1.00 3.19 H new ATOM 0 HB2 ARG P 24 -11.634 -7.487 3.826 1.00 3.59 H new ATOM 0 HB3 ARG P 24 -10.284 -6.525 4.394 1.00 3.59 H new ATOM 0 HG2 ARG P 24 -11.018 -6.802 6.741 1.00 3.93 H new ATOM 0 HG3 ARG P 24 -12.460 -7.651 6.222 1.00 3.93 H new ATOM 0 HD2 ARG P 24 -9.628 -8.653 5.695 1.00 3.90 H new ATOM 0 HD3 ARG P 24 -10.592 -9.143 7.074 1.00 3.90 H new ATOM 0 HE ARG P 24 -10.891 -10.015 4.301 1.00 3.83 H new ATOM 0 HH11 ARG P 24 -12.602 -9.737 7.404 1.00 5.64 H new ATOM 0 HH12 ARG P 24 -13.770 -10.994 6.984 1.00 5.64 H new ATOM 0 HH21 ARG P 24 -12.339 -11.609 3.795 1.00 4.28 H new ATOM 0 HH22 ARG P 24 -13.619 -12.061 4.925 1.00 4.28 H new ATOM 1351 N TYR P 25 -12.983 -5.259 2.256 1.00 3.09 N ATOM 1352 CA TYR P 25 -13.251 -4.505 1.041 1.00 3.12 C ATOM 1353 C TYR P 25 -14.580 -3.779 1.182 1.00 3.12 C ATOM 1354 O TYR P 25 -15.609 -4.422 1.388 1.00 3.49 O ATOM 1355 CB TYR P 25 -13.185 -5.377 -0.225 1.00 3.17 C ATOM 1356 CG TYR P 25 -12.024 -4.958 -1.100 1.00 3.27 C ATOM 1357 CD1 TYR P 25 -10.730 -5.201 -0.609 1.00 4.40 C ATOM 1358 CD2 TYR P 25 -12.224 -3.980 -2.092 1.00 3.93 C ATOM 1359 CE1 TYR P 25 -9.647 -4.454 -1.089 1.00 5.39 C ATOM 1360 CE2 TYR P 25 -11.133 -3.245 -2.587 1.00 5.43 C ATOM 1361 CZ TYR P 25 -9.839 -3.526 -2.122 1.00 5.81 C ATOM 1362 OH TYR P 25 -8.764 -2.877 -2.646 1.00 7.32 O ATOM 0 H TYR P 25 -13.463 -6.158 2.300 1.00 3.09 H new ATOM 0 HA TYR P 25 -12.462 -3.764 0.913 1.00 3.12 H new ATOM 0 HB2 TYR P 25 -13.077 -6.425 0.054 1.00 3.17 H new ATOM 0 HB3 TYR P 25 -14.118 -5.290 -0.782 1.00 3.17 H new ATOM 0 HD1 TYR P 25 -10.571 -5.964 0.139 1.00 4.40 H new ATOM 0 HD2 TYR P 25 -13.217 -3.794 -2.473 1.00 3.93 H new ATOM 0 HE1 TYR P 25 -8.664 -4.593 -0.663 1.00 5.39 H new ATOM 0 HE2 TYR P 25 -11.290 -2.468 -3.321 1.00 5.43 H new ATOM 0 HH TYR P 25 -9.062 -2.268 -3.354 1.00 7.32 H new ATOM 1372 N LEU P 26 -14.542 -2.449 1.078 1.00 3.02 N ATOM 1373 CA LEU P 26 -15.710 -1.601 0.871 1.00 2.95 C ATOM 1374 C LEU P 26 -16.095 -1.654 -0.610 1.00 3.03 C ATOM 1375 O LEU P 26 -15.258 -1.980 -1.459 1.00 3.20 O ATOM 1376 CB LEU P 26 -15.382 -0.143 1.232 1.00 2.83 C ATOM 1377 CG LEU P 26 -15.435 0.199 2.726 1.00 2.92 C ATOM 1378 CD1 LEU P 26 -14.519 -0.668 3.578 1.00 2.97 C ATOM 1379 CD2 LEU P 26 -14.966 1.640 2.904 1.00 2.77 C ATOM 0 H LEU P 26 -13.672 -1.921 1.138 1.00 3.02 H new ATOM 0 HA LEU P 26 -16.525 -1.956 1.502 1.00 2.95 H new ATOM 0 HB2 LEU P 26 -14.384 0.089 0.860 1.00 2.83 H new ATOM 0 HB3 LEU P 26 -16.078 0.508 0.704 1.00 2.83 H new ATOM 0 HG LEU P 26 -16.462 0.034 3.050 1.00 2.92 H new ATOM 0 HD11 LEU P 26 -14.607 -0.372 4.623 1.00 2.97 H new ATOM 0 HD12 LEU P 26 -14.806 -1.714 3.472 1.00 2.97 H new ATOM 0 HD13 LEU P 26 -13.488 -0.540 3.250 1.00 2.97 H new ATOM 0 HD21 LEU P 26 -14.996 1.904 3.961 1.00 2.77 H new ATOM 0 HD22 LEU P 26 -13.946 1.739 2.534 1.00 2.77 H new ATOM 0 HD23 LEU P 26 -15.621 2.308 2.344 1.00 2.77 H new ATOM 1391 N THR P 27 -17.332 -1.272 -0.906 1.00 3.09 N ATOM 1392 CA THR P 27 -17.878 -1.054 -2.235 1.00 3.18 C ATOM 1393 C THR P 27 -17.679 0.428 -2.615 1.00 3.09 C ATOM 1394 O THR P 27 -17.396 1.267 -1.750 1.00 3.15 O ATOM 1395 CB THR P 27 -19.343 -1.524 -2.179 1.00 3.50 C ATOM 1396 OG1 THR P 27 -19.410 -2.883 -1.769 1.00 4.39 O ATOM 1397 CG2 THR P 27 -20.097 -1.440 -3.504 1.00 3.33 C ATOM 0 H THR P 27 -18.022 -1.096 -0.176 1.00 3.09 H new ATOM 0 HA THR P 27 -17.379 -1.619 -3.022 1.00 3.18 H new ATOM 0 HB THR P 27 -19.814 -0.840 -1.473 1.00 3.50 H new ATOM 0 HG1 THR P 27 -20.347 -3.169 -1.736 1.00 4.39 H new ATOM 0 HG21 THR P 27 -21.119 -1.792 -3.364 1.00 3.33 H new ATOM 0 HG22 THR P 27 -20.113 -0.406 -3.848 1.00 3.33 H new ATOM 0 HG23 THR P 27 -19.598 -2.062 -4.247 1.00 3.33 H new ATOM 1405 N ARG P 28 -17.747 0.759 -3.910 1.00 3.23 N ATOM 1406 CA ARG P 28 -17.379 2.074 -4.426 1.00 3.18 C ATOM 1407 C ARG P 28 -18.529 3.072 -4.276 1.00 3.23 C ATOM 1408 O ARG P 28 -19.003 3.662 -5.243 1.00 3.94 O ATOM 1409 CB ARG P 28 -16.859 1.976 -5.872 1.00 3.26 C ATOM 1410 CG ARG P 28 -16.089 3.254 -6.248 1.00 3.19 C ATOM 1411 CD ARG P 28 -15.363 3.142 -7.590 1.00 3.33 C ATOM 1412 NE ARG P 28 -16.267 3.260 -8.739 1.00 4.09 N ATOM 1413 CZ ARG P 28 -15.876 3.463 -10.005 1.00 4.42 C ATOM 1414 NH1 ARG P 28 -14.592 3.669 -10.313 1.00 4.73 N ATOM 1415 NH2 ARG P 28 -16.808 3.460 -10.954 1.00 4.99 N ATOM 0 H ARG P 28 -18.063 0.112 -4.633 1.00 3.23 H new ATOM 0 HA ARG P 28 -16.556 2.460 -3.824 1.00 3.18 H new ATOM 0 HB2 ARG P 28 -16.208 1.107 -5.974 1.00 3.26 H new ATOM 0 HB3 ARG P 28 -17.694 1.831 -6.557 1.00 3.26 H new ATOM 0 HG2 ARG P 28 -16.784 4.092 -6.286 1.00 3.19 H new ATOM 0 HG3 ARG P 28 -15.363 3.477 -5.466 1.00 3.19 H new ATOM 0 HD2 ARG P 28 -14.602 3.920 -7.652 1.00 3.33 H new ATOM 0 HD3 ARG P 28 -14.845 2.184 -7.638 1.00 3.33 H new ATOM 0 HE ARG P 28 -17.268 3.182 -8.561 1.00 4.09 H new ATOM 0 HH11 ARG P 28 -13.886 3.674 -9.577 1.00 4.73 H new ATOM 0 HH12 ARG P 28 -14.318 3.821 -11.284 1.00 4.73 H new ATOM 0 HH21 ARG P 28 -17.786 3.306 -10.708 1.00 4.99 H new ATOM 0 HH22 ARG P 28 -16.545 3.611 -11.928 1.00 4.99 H new ATOM 1429 N ARG P 29 -18.957 3.299 -3.041 1.00 3.58 N ATOM 1430 CA ARG P 29 -19.744 4.458 -2.650 1.00 3.48 C ATOM 1431 C ARG P 29 -19.242 4.810 -1.252 1.00 3.09 C ATOM 1432 O ARG P 29 -18.599 5.836 -1.044 1.00 3.01 O ATOM 1433 CB ARG P 29 -21.256 4.147 -2.715 1.00 4.29 C ATOM 1434 CG ARG P 29 -22.092 5.365 -3.133 1.00 4.84 C ATOM 1435 CD ARG P 29 -23.591 5.019 -3.198 1.00 5.84 C ATOM 1436 NE ARG P 29 -24.185 4.774 -1.870 1.00 7.32 N ATOM 1437 CZ ARG P 29 -24.617 5.713 -1.012 1.00 8.16 C ATOM 1438 NH1 ARG P 29 -24.466 7.006 -1.299 1.00 8.17 N ATOM 1439 NH2 ARG P 29 -25.216 5.384 0.131 1.00 9.36 N ATOM 0 H ARG P 29 -18.761 2.666 -2.266 1.00 3.58 H new ATOM 0 HA ARG P 29 -19.624 5.309 -3.321 1.00 3.48 H new ATOM 0 HB2 ARG P 29 -21.426 3.335 -3.422 1.00 4.29 H new ATOM 0 HB3 ARG P 29 -21.593 3.797 -1.739 1.00 4.29 H new ATOM 0 HG2 ARG P 29 -21.935 6.178 -2.424 1.00 4.84 H new ATOM 0 HG3 ARG P 29 -21.756 5.722 -4.107 1.00 4.84 H new ATOM 0 HD2 ARG P 29 -24.126 5.835 -3.684 1.00 5.84 H new ATOM 0 HD3 ARG P 29 -23.727 4.134 -3.820 1.00 5.84 H new ATOM 0 HE ARG P 29 -24.276 3.802 -1.576 1.00 7.32 H new ATOM 0 HH11 ARG P 29 -24.021 7.286 -2.173 1.00 8.17 H new ATOM 0 HH12 ARG P 29 -24.796 7.716 -0.645 1.00 8.17 H new ATOM 0 HH21 ARG P 29 -25.355 4.402 0.370 1.00 9.36 H new ATOM 0 HH22 ARG P 29 -25.536 6.114 0.768 1.00 9.36 H new ATOM 1453 N ARG P 30 -19.414 3.880 -0.314 1.00 3.34 N ATOM 1454 CA ARG P 30 -19.016 4.020 1.080 1.00 3.15 C ATOM 1455 C ARG P 30 -17.584 4.549 1.221 1.00 2.82 C ATOM 1456 O ARG P 30 -17.330 5.441 2.027 1.00 2.69 O ATOM 1457 CB ARG P 30 -19.193 2.655 1.762 1.00 3.32 C ATOM 1458 CG ARG P 30 -18.820 2.591 3.249 1.00 3.79 C ATOM 1459 CD ARG P 30 -19.610 3.566 4.132 1.00 3.88 C ATOM 1460 NE ARG P 30 -19.282 3.353 5.553 1.00 3.90 N ATOM 1461 CZ ARG P 30 -19.478 4.247 6.537 1.00 4.23 C ATOM 1462 NH1 ARG P 30 -20.175 5.359 6.308 1.00 4.67 N ATOM 1463 NH2 ARG P 30 -18.958 4.033 7.744 1.00 5.08 N ATOM 0 H ARG P 30 -19.849 2.979 -0.513 1.00 3.34 H new ATOM 0 HA ARG P 30 -19.648 4.761 1.568 1.00 3.15 H new ATOM 0 HB2 ARG P 30 -20.234 2.351 1.656 1.00 3.32 H new ATOM 0 HB3 ARG P 30 -18.591 1.922 1.225 1.00 3.32 H new ATOM 0 HG2 ARG P 30 -18.983 1.576 3.611 1.00 3.79 H new ATOM 0 HG3 ARG P 30 -17.756 2.801 3.356 1.00 3.79 H new ATOM 0 HD2 ARG P 30 -19.378 4.593 3.849 1.00 3.88 H new ATOM 0 HD3 ARG P 30 -20.679 3.425 3.974 1.00 3.88 H new ATOM 0 HE ARG P 30 -18.873 2.455 5.810 1.00 3.90 H new ATOM 0 HH11 ARG P 30 -20.563 5.536 5.382 1.00 4.67 H new ATOM 0 HH12 ARG P 30 -20.320 6.034 7.059 1.00 4.67 H new ATOM 0 HH21 ARG P 30 -18.411 3.191 7.922 1.00 5.08 H new ATOM 0 HH22 ARG P 30 -19.107 4.711 8.491 1.00 5.08 H new ATOM 1477 N ARG P 31 -16.628 4.003 0.463 1.00 2.75 N ATOM 1478 CA ARG P 31 -15.242 4.420 0.571 1.00 2.53 C ATOM 1479 C ARG P 31 -15.098 5.925 0.291 1.00 2.33 C ATOM 1480 O ARG P 31 -14.378 6.619 1.009 1.00 2.17 O ATOM 1481 CB ARG P 31 -14.367 3.572 -0.363 1.00 2.68 C ATOM 1482 CG ARG P 31 -12.918 3.688 0.114 1.00 2.72 C ATOM 1483 CD ARG P 31 -11.892 2.980 -0.775 1.00 1.83 C ATOM 1484 NE ARG P 31 -12.016 1.512 -0.741 1.00 2.48 N ATOM 1485 CZ ARG P 31 -12.815 0.764 -1.518 1.00 3.37 C ATOM 1486 NH1 ARG P 31 -13.516 1.322 -2.508 1.00 3.89 N ATOM 1487 NH2 ARG P 31 -12.925 -0.539 -1.260 1.00 4.71 N ATOM 0 H ARG P 31 -16.796 3.273 -0.229 1.00 2.75 H new ATOM 0 HA ARG P 31 -14.898 4.256 1.592 1.00 2.53 H new ATOM 0 HB2 ARG P 31 -14.691 2.531 -0.348 1.00 2.68 H new ATOM 0 HB3 ARG P 31 -14.459 3.920 -1.392 1.00 2.68 H new ATOM 0 HG2 ARG P 31 -12.655 4.744 0.179 1.00 2.72 H new ATOM 0 HG3 ARG P 31 -12.848 3.279 1.122 1.00 2.72 H new ATOM 0 HD2 ARG P 31 -12.010 3.325 -1.802 1.00 1.83 H new ATOM 0 HD3 ARG P 31 -10.888 3.262 -0.457 1.00 1.83 H new ATOM 0 HE ARG P 31 -11.439 1.016 -0.061 1.00 2.48 H new ATOM 0 HH11 ARG P 31 -13.447 2.325 -2.679 1.00 3.89 H new ATOM 0 HH12 ARG P 31 -14.120 0.745 -3.093 1.00 3.89 H new ATOM 0 HH21 ARG P 31 -12.407 -0.951 -0.484 1.00 4.71 H new ATOM 0 HH22 ARG P 31 -13.527 -1.124 -1.839 1.00 4.71 H new ATOM 1501 N ILE P 32 -15.777 6.427 -0.743 1.00 2.40 N ATOM 1502 CA ILE P 32 -15.776 7.848 -1.068 1.00 2.27 C ATOM 1503 C ILE P 32 -16.357 8.608 0.120 1.00 2.19 C ATOM 1504 O ILE P 32 -15.708 9.499 0.664 1.00 2.07 O ATOM 1505 CB ILE P 32 -16.566 8.097 -2.368 1.00 2.48 C ATOM 1506 CG1 ILE P 32 -15.789 7.549 -3.575 1.00 2.67 C ATOM 1507 CG2 ILE P 32 -16.859 9.590 -2.572 1.00 2.42 C ATOM 1508 CD1 ILE P 32 -16.726 7.133 -4.709 1.00 3.10 C ATOM 0 H ILE P 32 -16.341 5.858 -1.375 1.00 2.40 H new ATOM 0 HA ILE P 32 -14.762 8.205 -1.248 1.00 2.27 H new ATOM 0 HB ILE P 32 -17.518 7.574 -2.282 1.00 2.48 H new ATOM 0 HG12 ILE P 32 -15.095 8.308 -3.936 1.00 2.67 H new ATOM 0 HG13 ILE P 32 -15.191 6.692 -3.264 1.00 2.67 H new ATOM 0 HG21 ILE P 32 -17.417 9.728 -3.498 1.00 2.42 H new ATOM 0 HG22 ILE P 32 -17.448 9.963 -1.734 1.00 2.42 H new ATOM 0 HG23 ILE P 32 -15.920 10.141 -2.629 1.00 2.42 H new ATOM 0 HD11 ILE P 32 -16.139 6.751 -5.544 1.00 3.10 H new ATOM 0 HD12 ILE P 32 -17.403 6.355 -4.355 1.00 3.10 H new ATOM 0 HD13 ILE P 32 -17.305 7.996 -5.037 1.00 3.10 H new ATOM 1520 N GLU P 33 -17.564 8.233 0.551 1.00 2.34 N ATOM 1521 CA GLU P 33 -18.220 8.880 1.677 1.00 2.40 C ATOM 1522 C GLU P 33 -17.270 8.988 2.888 1.00 2.26 C ATOM 1523 O GLU P 33 -17.234 10.024 3.553 1.00 2.28 O ATOM 1524 CB GLU P 33 -19.553 8.175 1.984 1.00 2.71 C ATOM 1525 CG GLU P 33 -20.490 8.144 0.762 1.00 2.92 C ATOM 1526 CD GLU P 33 -21.901 7.738 1.131 1.00 3.56 C ATOM 1527 OE1 GLU P 33 -22.105 6.561 1.502 1.00 4.31 O ATOM 1528 OE2 GLU P 33 -22.789 8.619 1.076 1.00 4.19 O ATOM 0 H GLU P 33 -18.106 7.478 0.130 1.00 2.34 H new ATOM 0 HA GLU P 33 -18.468 9.909 1.417 1.00 2.40 H new ATOM 0 HB2 GLU P 33 -19.355 7.155 2.314 1.00 2.71 H new ATOM 0 HB3 GLU P 33 -20.051 8.686 2.808 1.00 2.71 H new ATOM 0 HG2 GLU P 33 -20.508 9.129 0.295 1.00 2.92 H new ATOM 0 HG3 GLU P 33 -20.096 7.448 0.022 1.00 2.92 H new ATOM 1535 N ILE P 34 -16.463 7.957 3.147 1.00 2.17 N ATOM 1536 CA ILE P 34 -15.463 7.948 4.212 1.00 2.11 C ATOM 1537 C ILE P 34 -14.315 8.912 3.927 1.00 1.82 C ATOM 1538 O ILE P 34 -13.871 9.629 4.821 1.00 1.88 O ATOM 1539 CB ILE P 34 -14.980 6.514 4.450 1.00 2.18 C ATOM 1540 CG1 ILE P 34 -16.124 5.817 5.194 1.00 3.05 C ATOM 1541 CG2 ILE P 34 -13.667 6.402 5.248 1.00 1.92 C ATOM 1542 CD1 ILE P 34 -15.836 4.338 5.287 1.00 2.13 C ATOM 0 H ILE P 34 -16.488 7.089 2.611 1.00 2.17 H new ATOM 0 HA ILE P 34 -15.926 8.308 5.131 1.00 2.11 H new ATOM 0 HB ILE P 34 -14.743 6.052 3.491 1.00 2.18 H new ATOM 0 HG12 ILE P 34 -16.234 6.240 6.192 1.00 3.05 H new ATOM 0 HG13 ILE P 34 -17.066 5.983 4.672 1.00 3.05 H new ATOM 0 HG21 ILE P 34 -13.403 5.351 5.368 1.00 1.92 H new ATOM 0 HG22 ILE P 34 -12.870 6.918 4.712 1.00 1.92 H new ATOM 0 HG23 ILE P 34 -13.798 6.857 6.230 1.00 1.92 H new ATOM 0 HD11 ILE P 34 -16.649 3.842 5.816 1.00 2.13 H new ATOM 0 HD12 ILE P 34 -15.748 3.921 4.284 1.00 2.13 H new ATOM 0 HD13 ILE P 34 -14.903 4.182 5.828 1.00 2.13 H new ATOM 1554 N ALA P 35 -13.806 8.916 2.698 1.00 1.63 N ATOM 1555 CA ALA P 35 -12.805 9.900 2.293 1.00 1.52 C ATOM 1556 C ALA P 35 -13.253 11.318 2.668 1.00 1.67 C ATOM 1557 O ALA P 35 -12.437 12.120 3.125 1.00 1.81 O ATOM 1558 CB ALA P 35 -12.476 9.793 0.801 1.00 1.49 C ATOM 0 H ALA P 35 -14.068 8.253 1.968 1.00 1.63 H new ATOM 0 HA ALA P 35 -11.887 9.682 2.838 1.00 1.52 H new ATOM 0 HB1 ALA P 35 -11.728 10.541 0.539 1.00 1.49 H new ATOM 0 HB2 ALA P 35 -12.086 8.798 0.585 1.00 1.49 H new ATOM 0 HB3 ALA P 35 -13.380 9.963 0.216 1.00 1.49 H new ATOM 1564 N HIS P 36 -14.543 11.627 2.498 1.00 1.76 N ATOM 1565 CA HIS P 36 -15.099 12.879 2.999 1.00 1.89 C ATOM 1566 C HIS P 36 -15.128 12.888 4.534 1.00 1.96 C ATOM 1567 O HIS P 36 -14.621 13.827 5.142 1.00 1.99 O ATOM 1568 CB HIS P 36 -16.455 13.187 2.361 1.00 2.06 C ATOM 1569 CG HIS P 36 -16.308 13.462 0.887 1.00 2.09 C ATOM 1570 ND1 HIS P 36 -15.719 14.571 0.326 1.00 2.10 N ATOM 1571 CD2 HIS P 36 -16.432 12.530 -0.101 1.00 2.51 C ATOM 1572 CE1 HIS P 36 -15.501 14.309 -0.973 1.00 2.25 C ATOM 1573 NE2 HIS P 36 -15.895 13.060 -1.280 1.00 2.49 N ATOM 0 H HIS P 36 -15.215 11.028 2.019 1.00 1.76 H new ATOM 0 HA HIS P 36 -14.442 13.695 2.699 1.00 1.89 H new ATOM 0 HB2 HIS P 36 -17.131 12.346 2.512 1.00 2.06 H new ATOM 0 HB3 HIS P 36 -16.905 14.050 2.853 1.00 2.06 H new ATOM 0 HD2 HIS P 36 -16.870 11.549 0.008 1.00 2.51 H new ATOM 0 HE1 HIS P 36 -15.068 15.006 -1.675 1.00 2.25 H new ATOM 0 HE2 HIS P 36 -15.818 12.595 -2.185 1.00 2.49 H new ATOM 1581 N ALA P 37 -15.696 11.843 5.146 1.00 2.07 N ATOM 1582 CA ALA P 37 -15.857 11.691 6.593 1.00 2.24 C ATOM 1583 C ALA P 37 -14.594 12.090 7.363 1.00 2.25 C ATOM 1584 O ALA P 37 -14.628 12.960 8.234 1.00 2.41 O ATOM 1585 CB ALA P 37 -16.253 10.244 6.938 1.00 2.39 C ATOM 0 H ALA P 37 -16.070 11.050 4.625 1.00 2.07 H new ATOM 0 HA ALA P 37 -16.654 12.368 6.901 1.00 2.24 H new ATOM 0 HB1 ALA P 37 -16.369 10.146 8.017 1.00 2.39 H new ATOM 0 HB2 ALA P 37 -17.195 9.998 6.448 1.00 2.39 H new ATOM 0 HB3 ALA P 37 -15.476 9.562 6.593 1.00 2.39 H new ATOM 1591 N LEU P 38 -13.467 11.453 7.042 1.00 2.14 N ATOM 1592 CA LEU P 38 -12.182 11.722 7.685 1.00 2.24 C ATOM 1593 C LEU P 38 -11.439 12.884 7.022 1.00 2.15 C ATOM 1594 O LEU P 38 -10.436 13.356 7.560 1.00 2.35 O ATOM 1595 CB LEU P 38 -11.324 10.452 7.669 1.00 2.17 C ATOM 1596 CG LEU P 38 -11.928 9.309 8.499 1.00 2.38 C ATOM 1597 CD1 LEU P 38 -10.988 8.102 8.433 1.00 2.35 C ATOM 1598 CD2 LEU P 38 -12.131 9.719 9.965 1.00 2.87 C ATOM 0 H LEU P 38 -13.421 10.731 6.323 1.00 2.14 H new ATOM 0 HA LEU P 38 -12.376 12.018 8.716 1.00 2.24 H new ATOM 0 HB2 LEU P 38 -11.198 10.118 6.639 1.00 2.17 H new ATOM 0 HB3 LEU P 38 -10.331 10.686 8.052 1.00 2.17 H new ATOM 0 HG LEU P 38 -12.905 9.060 8.084 1.00 2.38 H new ATOM 0 HD11 LEU P 38 -11.406 7.283 9.019 1.00 2.35 H new ATOM 0 HD12 LEU P 38 -10.874 7.786 7.396 1.00 2.35 H new ATOM 0 HD13 LEU P 38 -10.014 8.377 8.837 1.00 2.35 H new ATOM 0 HD21 LEU P 38 -12.560 8.885 10.520 1.00 2.87 H new ATOM 0 HD22 LEU P 38 -11.171 9.991 10.403 1.00 2.87 H new ATOM 0 HD23 LEU P 38 -12.807 10.573 10.014 1.00 2.87 H new ATOM 1610 N SER P 39 -11.910 13.335 5.860 1.00 1.97 N ATOM 1611 CA SER P 39 -11.328 14.434 5.105 1.00 1.96 C ATOM 1612 C SER P 39 -9.925 14.070 4.615 1.00 1.96 C ATOM 1613 O SER P 39 -8.997 14.880 4.676 1.00 2.27 O ATOM 1614 CB SER P 39 -11.355 15.727 5.928 1.00 2.18 C ATOM 1615 OG SER P 39 -12.543 15.795 6.705 1.00 2.23 O ATOM 0 H SER P 39 -12.731 12.931 5.409 1.00 1.97 H new ATOM 0 HA SER P 39 -11.932 14.615 4.216 1.00 1.96 H new ATOM 0 HB2 SER P 39 -10.483 15.768 6.581 1.00 2.18 H new ATOM 0 HB3 SER P 39 -11.297 16.589 5.264 1.00 2.18 H new ATOM 0 HG SER P 39 -12.546 16.625 7.226 1.00 2.23 H new ATOM 1621 N LEU P 40 -9.784 12.842 4.119 1.00 1.74 N ATOM 1622 CA LEU P 40 -8.604 12.415 3.382 1.00 1.79 C ATOM 1623 C LEU P 40 -8.981 12.426 1.902 1.00 1.76 C ATOM 1624 O LEU P 40 -9.994 13.024 1.525 1.00 1.95 O ATOM 1625 CB LEU P 40 -8.129 11.032 3.856 1.00 1.80 C ATOM 1626 CG LEU P 40 -7.922 10.914 5.375 1.00 1.85 C ATOM 1627 CD1 LEU P 40 -7.198 9.595 5.668 1.00 2.23 C ATOM 1628 CD2 LEU P 40 -7.095 12.069 5.956 1.00 2.07 C ATOM 0 H LEU P 40 -10.491 12.114 4.220 1.00 1.74 H new ATOM 0 HA LEU P 40 -7.764 13.087 3.555 1.00 1.79 H new ATOM 0 HB2 LEU P 40 -8.858 10.285 3.542 1.00 1.80 H new ATOM 0 HB3 LEU P 40 -7.191 10.793 3.355 1.00 1.80 H new ATOM 0 HG LEU P 40 -8.905 10.949 5.844 1.00 1.85 H new ATOM 0 HD11 LEU P 40 -7.043 9.496 6.742 1.00 2.23 H new ATOM 0 HD12 LEU P 40 -7.802 8.761 5.310 1.00 2.23 H new ATOM 0 HD13 LEU P 40 -6.233 9.589 5.160 1.00 2.23 H new ATOM 0 HD21 LEU P 40 -6.982 11.931 7.031 1.00 2.07 H new ATOM 0 HD22 LEU P 40 -6.111 12.084 5.487 1.00 2.07 H new ATOM 0 HD23 LEU P 40 -7.603 13.014 5.763 1.00 2.07 H new ATOM 1640 N THR P 41 -8.202 11.748 1.067 1.00 1.71 N ATOM 1641 CA THR P 41 -8.529 11.492 -0.326 1.00 1.78 C ATOM 1642 C THR P 41 -8.593 9.973 -0.482 1.00 1.32 C ATOM 1643 O THR P 41 -8.094 9.242 0.378 1.00 1.08 O ATOM 1644 CB THR P 41 -7.497 12.166 -1.255 1.00 2.29 C ATOM 1645 OG1 THR P 41 -6.398 12.680 -0.522 1.00 2.62 O ATOM 1646 CG2 THR P 41 -8.133 13.343 -1.996 1.00 3.61 C ATOM 0 H THR P 41 -7.305 11.353 1.349 1.00 1.71 H new ATOM 0 HA THR P 41 -9.489 11.922 -0.613 1.00 1.78 H new ATOM 0 HB THR P 41 -7.157 11.401 -1.953 1.00 2.29 H new ATOM 0 HG1 THR P 41 -5.761 13.099 -1.138 1.00 2.62 H new ATOM 0 HG21 THR P 41 -7.392 13.807 -2.647 1.00 3.61 H new ATOM 0 HG22 THR P 41 -8.970 12.986 -2.596 1.00 3.61 H new ATOM 0 HG23 THR P 41 -8.492 14.077 -1.274 1.00 3.61 H new ATOM 1654 N GLU P 42 -9.250 9.482 -1.529 1.00 1.41 N ATOM 1655 CA GLU P 42 -9.467 8.055 -1.670 1.00 1.26 C ATOM 1656 C GLU P 42 -8.173 7.255 -1.615 1.00 0.99 C ATOM 1657 O GLU P 42 -8.192 6.196 -0.993 1.00 0.83 O ATOM 1658 CB GLU P 42 -10.246 7.744 -2.939 1.00 1.82 C ATOM 1659 CG GLU P 42 -11.742 7.966 -2.711 1.00 2.72 C ATOM 1660 CD GLU P 42 -12.428 8.014 -4.046 1.00 3.57 C ATOM 1661 OE1 GLU P 42 -12.587 6.924 -4.644 1.00 4.69 O ATOM 1662 OE2 GLU P 42 -12.717 9.151 -4.482 1.00 3.76 O ATOM 0 H GLU P 42 -9.636 10.049 -2.283 1.00 1.41 H new ATOM 0 HA GLU P 42 -10.064 7.744 -0.812 1.00 1.26 H new ATOM 0 HB2 GLU P 42 -9.897 8.379 -3.753 1.00 1.82 H new ATOM 0 HB3 GLU P 42 -10.066 6.712 -3.241 1.00 1.82 H new ATOM 0 HG2 GLU P 42 -12.155 7.162 -2.102 1.00 2.72 H new ATOM 0 HG3 GLU P 42 -11.908 8.896 -2.167 1.00 2.72 H new ATOM 1669 N ARG P 43 -7.077 7.713 -2.236 1.00 1.10 N ATOM 1670 CA ARG P 43 -5.836 6.944 -2.230 1.00 1.10 C ATOM 1671 C ARG P 43 -5.503 6.503 -0.814 1.00 0.78 C ATOM 1672 O ARG P 43 -5.243 5.331 -0.598 1.00 0.59 O ATOM 1673 CB ARG P 43 -4.650 7.683 -2.871 1.00 1.48 C ATOM 1674 CG ARG P 43 -3.380 6.797 -2.901 1.00 1.78 C ATOM 1675 CD ARG P 43 -2.325 7.139 -1.836 1.00 1.80 C ATOM 1676 NE ARG P 43 -1.845 8.518 -1.989 1.00 1.61 N ATOM 1677 CZ ARG P 43 -1.583 9.376 -0.997 1.00 2.05 C ATOM 1678 NH1 ARG P 43 -1.801 9.039 0.272 1.00 3.64 N ATOM 1679 NH2 ARG P 43 -1.075 10.571 -1.262 1.00 2.07 N ATOM 0 H ARG P 43 -7.029 8.599 -2.740 1.00 1.10 H new ATOM 0 HA ARG P 43 -6.008 6.067 -2.854 1.00 1.10 H new ATOM 0 HB2 ARG P 43 -4.911 7.981 -3.886 1.00 1.48 H new ATOM 0 HB3 ARG P 43 -4.445 8.597 -2.313 1.00 1.48 H new ATOM 0 HG2 ARG P 43 -3.678 5.756 -2.775 1.00 1.78 H new ATOM 0 HG3 ARG P 43 -2.921 6.880 -3.886 1.00 1.78 H new ATOM 0 HD2 ARG P 43 -2.752 7.008 -0.842 1.00 1.80 H new ATOM 0 HD3 ARG P 43 -1.486 6.448 -1.916 1.00 1.80 H new ATOM 0 HE ARG P 43 -1.698 8.853 -2.941 1.00 1.61 H new ATOM 0 HH11 ARG P 43 -2.172 8.116 0.498 1.00 3.64 H new ATOM 0 HH12 ARG P 43 -1.597 9.703 1.018 1.00 3.64 H new ATOM 0 HH21 ARG P 43 -0.882 10.841 -2.227 1.00 2.07 H new ATOM 0 HH22 ARG P 43 -0.877 11.221 -0.501 1.00 2.07 H new ATOM 1693 N GLN P 44 -5.531 7.413 0.155 1.00 0.83 N ATOM 1694 CA GLN P 44 -5.257 7.075 1.542 1.00 0.76 C ATOM 1695 C GLN P 44 -6.193 5.961 2.020 1.00 0.65 C ATOM 1696 O GLN P 44 -5.756 4.959 2.574 1.00 0.64 O ATOM 1697 CB GLN P 44 -5.486 8.314 2.437 1.00 0.98 C ATOM 1698 CG GLN P 44 -4.440 9.428 2.341 1.00 1.44 C ATOM 1699 CD GLN P 44 -4.688 10.452 1.238 1.00 2.84 C ATOM 1700 OE1 GLN P 44 -5.278 10.162 0.200 1.00 3.97 O ATOM 1701 NE2 GLN P 44 -4.253 11.683 1.449 1.00 3.45 N ATOM 0 H GLN P 44 -5.743 8.399 -0.000 1.00 0.83 H new ATOM 0 HA GLN P 44 -4.222 6.740 1.611 1.00 0.76 H new ATOM 0 HB2 GLN P 44 -6.460 8.738 2.191 1.00 0.98 H new ATOM 0 HB3 GLN P 44 -5.536 7.981 3.474 1.00 0.98 H new ATOM 0 HG2 GLN P 44 -4.398 9.949 3.297 1.00 1.44 H new ATOM 0 HG3 GLN P 44 -3.462 8.974 2.182 1.00 1.44 H new ATOM 0 HE21 GLN P 44 -3.765 11.910 2.315 1.00 3.45 H new ATOM 0 HE22 GLN P 44 -4.406 12.406 0.745 1.00 3.45 H new ATOM 1710 N ILE P 45 -7.502 6.125 1.830 1.00 0.69 N ATOM 1711 CA ILE P 45 -8.470 5.164 2.348 1.00 0.79 C ATOM 1712 C ILE P 45 -8.214 3.787 1.723 1.00 0.85 C ATOM 1713 O ILE P 45 -8.005 2.793 2.418 1.00 1.08 O ATOM 1714 CB ILE P 45 -9.911 5.658 2.098 1.00 0.95 C ATOM 1715 CG1 ILE P 45 -10.176 7.083 2.619 1.00 1.11 C ATOM 1716 CG2 ILE P 45 -10.909 4.678 2.726 1.00 1.16 C ATOM 1717 CD1 ILE P 45 -9.901 7.264 4.114 1.00 1.28 C ATOM 0 H ILE P 45 -7.913 6.910 1.324 1.00 0.69 H new ATOM 0 HA ILE P 45 -8.350 5.070 3.427 1.00 0.79 H new ATOM 0 HB ILE P 45 -10.042 5.698 1.017 1.00 0.95 H new ATOM 0 HG12 ILE P 45 -9.557 7.784 2.059 1.00 1.11 H new ATOM 0 HG13 ILE P 45 -11.215 7.344 2.417 1.00 1.11 H new ATOM 0 HG21 ILE P 45 -11.925 5.030 2.548 1.00 1.16 H new ATOM 0 HG22 ILE P 45 -10.782 3.692 2.278 1.00 1.16 H new ATOM 0 HG23 ILE P 45 -10.730 4.614 3.799 1.00 1.16 H new ATOM 0 HD11 ILE P 45 -10.112 8.294 4.401 1.00 1.28 H new ATOM 0 HD12 ILE P 45 -10.539 6.590 4.686 1.00 1.28 H new ATOM 0 HD13 ILE P 45 -8.855 7.036 4.322 1.00 1.28 H new ATOM 1729 N LYS P 46 -8.236 3.737 0.391 1.00 0.99 N ATOM 1730 CA LYS P 46 -7.883 2.589 -0.438 1.00 1.08 C ATOM 1731 C LYS P 46 -6.632 1.914 0.133 1.00 0.87 C ATOM 1732 O LYS P 46 -6.662 0.743 0.520 1.00 0.82 O ATOM 1733 CB LYS P 46 -7.678 3.126 -1.871 1.00 1.37 C ATOM 1734 CG LYS P 46 -6.840 2.294 -2.854 1.00 1.26 C ATOM 1735 CD LYS P 46 -6.903 2.974 -4.234 1.00 1.72 C ATOM 1736 CE LYS P 46 -5.953 2.398 -5.299 1.00 1.53 C ATOM 1737 NZ LYS P 46 -4.531 2.771 -5.120 1.00 2.33 N ATOM 0 H LYS P 46 -8.517 4.543 -0.168 1.00 0.99 H new ATOM 0 HA LYS P 46 -8.661 1.826 -0.452 1.00 1.08 H new ATOM 0 HB2 LYS P 46 -8.663 3.270 -2.315 1.00 1.37 H new ATOM 0 HB3 LYS P 46 -7.217 4.110 -1.793 1.00 1.37 H new ATOM 0 HG2 LYS P 46 -5.808 2.226 -2.511 1.00 1.26 H new ATOM 0 HG3 LYS P 46 -7.224 1.276 -2.914 1.00 1.26 H new ATOM 0 HD2 LYS P 46 -7.925 2.905 -4.608 1.00 1.72 H new ATOM 0 HD3 LYS P 46 -6.681 4.034 -4.108 1.00 1.72 H new ATOM 0 HE2 LYS P 46 -6.034 1.311 -5.290 1.00 1.53 H new ATOM 0 HE3 LYS P 46 -6.283 2.734 -6.282 1.00 1.53 H new ATOM 0 HZ1 LYS P 46 -3.962 2.343 -5.878 1.00 2.33 H new ATOM 0 HZ2 LYS P 46 -4.436 3.806 -5.159 1.00 2.33 H new ATOM 0 HZ3 LYS P 46 -4.195 2.427 -4.198 1.00 2.33 H new ATOM 1751 N ILE P 47 -5.559 2.693 0.233 1.00 0.86 N ATOM 1752 CA ILE P 47 -4.273 2.280 0.756 1.00 0.84 C ATOM 1753 C ILE P 47 -4.426 1.609 2.097 1.00 0.68 C ATOM 1754 O ILE P 47 -3.943 0.497 2.267 1.00 0.75 O ATOM 1755 CB ILE P 47 -3.312 3.479 0.848 1.00 0.96 C ATOM 1756 CG1 ILE P 47 -2.737 3.765 -0.537 1.00 0.96 C ATOM 1757 CG2 ILE P 47 -2.192 3.340 1.890 1.00 1.06 C ATOM 1758 CD1 ILE P 47 -1.684 2.747 -0.937 1.00 0.74 C ATOM 0 H ILE P 47 -5.569 3.669 -0.062 1.00 0.86 H new ATOM 0 HA ILE P 47 -3.844 1.554 0.065 1.00 0.84 H new ATOM 0 HB ILE P 47 -3.906 4.321 1.204 1.00 0.96 H new ATOM 0 HG12 ILE P 47 -3.542 3.761 -1.272 1.00 0.96 H new ATOM 0 HG13 ILE P 47 -2.299 4.763 -0.549 1.00 0.96 H new ATOM 0 HG21 ILE P 47 -1.570 4.235 1.877 1.00 1.06 H new ATOM 0 HG22 ILE P 47 -2.630 3.217 2.881 1.00 1.06 H new ATOM 0 HG23 ILE P 47 -1.580 2.470 1.653 1.00 1.06 H new ATOM 0 HD11 ILE P 47 -1.302 2.989 -1.929 1.00 0.74 H new ATOM 0 HD12 ILE P 47 -0.865 2.769 -0.218 1.00 0.74 H new ATOM 0 HD13 ILE P 47 -2.128 1.751 -0.952 1.00 0.74 H new ATOM 1770 N TRP P 48 -5.058 2.265 3.061 1.00 0.52 N ATOM 1771 CA TRP P 48 -5.143 1.741 4.406 1.00 0.55 C ATOM 1772 C TRP P 48 -5.698 0.317 4.352 1.00 0.47 C ATOM 1773 O TRP P 48 -5.075 -0.622 4.842 1.00 0.59 O ATOM 1774 CB TRP P 48 -5.980 2.684 5.272 1.00 0.72 C ATOM 1775 CG TRP P 48 -5.936 2.370 6.729 1.00 1.01 C ATOM 1776 CD1 TRP P 48 -5.051 2.867 7.621 1.00 1.33 C ATOM 1777 CD2 TRP P 48 -6.754 1.419 7.465 1.00 1.11 C ATOM 1778 NE1 TRP P 48 -5.307 2.335 8.865 1.00 1.53 N ATOM 1779 CE2 TRP P 48 -6.322 1.402 8.823 1.00 1.41 C ATOM 1780 CE3 TRP P 48 -7.813 0.557 7.111 1.00 1.10 C ATOM 1781 CZ2 TRP P 48 -6.896 0.552 9.779 1.00 1.60 C ATOM 1782 CZ3 TRP P 48 -8.379 -0.313 8.055 1.00 1.35 C ATOM 1783 CH2 TRP P 48 -7.891 -0.349 9.373 1.00 1.54 C ATOM 0 H TRP P 48 -5.520 3.165 2.929 1.00 0.52 H new ATOM 0 HA TRP P 48 -4.157 1.686 4.868 1.00 0.55 H new ATOM 0 HB2 TRP P 48 -5.631 3.705 5.120 1.00 0.72 H new ATOM 0 HB3 TRP P 48 -7.016 2.648 4.934 1.00 0.72 H new ATOM 0 HD1 TRP P 48 -4.265 3.572 7.394 1.00 1.33 H new ATOM 0 HE1 TRP P 48 -4.807 2.599 9.714 1.00 1.53 H new ATOM 0 HE3 TRP P 48 -8.193 0.567 6.100 1.00 1.10 H new ATOM 0 HZ2 TRP P 48 -6.577 0.590 10.810 1.00 1.60 H new ATOM 0 HZ3 TRP P 48 -9.195 -0.959 7.767 1.00 1.35 H new ATOM 0 HH2 TRP P 48 -8.283 -1.071 10.074 1.00 1.54 H new ATOM 1794 N PHE P 49 -6.815 0.125 3.652 1.00 0.47 N ATOM 1795 CA PHE P 49 -7.426 -1.191 3.512 1.00 0.59 C ATOM 1796 C PHE P 49 -6.449 -2.168 2.864 1.00 0.53 C ATOM 1797 O PHE P 49 -6.174 -3.226 3.426 1.00 0.59 O ATOM 1798 CB PHE P 49 -8.741 -1.114 2.727 1.00 0.81 C ATOM 1799 CG PHE P 49 -9.886 -0.508 3.519 1.00 0.97 C ATOM 1800 CD1 PHE P 49 -10.481 -1.244 4.561 1.00 1.59 C ATOM 1801 CD2 PHE P 49 -10.350 0.787 3.229 1.00 1.20 C ATOM 1802 CE1 PHE P 49 -11.472 -0.653 5.365 1.00 1.89 C ATOM 1803 CE2 PHE P 49 -11.333 1.377 4.040 1.00 1.47 C ATOM 1804 CZ PHE P 49 -11.865 0.677 5.132 1.00 1.68 C ATOM 0 H PHE P 49 -7.316 0.872 3.171 1.00 0.47 H new ATOM 0 HA PHE P 49 -7.665 -1.562 4.509 1.00 0.59 H new ATOM 0 HB2 PHE P 49 -8.582 -0.524 1.825 1.00 0.81 H new ATOM 0 HB3 PHE P 49 -9.023 -2.117 2.406 1.00 0.81 H new ATOM 0 HD1 PHE P 49 -10.176 -2.264 4.743 1.00 1.59 H new ATOM 0 HD2 PHE P 49 -9.951 1.328 2.383 1.00 1.20 H new ATOM 0 HE1 PHE P 49 -11.931 -1.220 6.161 1.00 1.89 H new ATOM 0 HE2 PHE P 49 -11.681 2.376 3.821 1.00 1.47 H new ATOM 0 HZ PHE P 49 -12.573 1.157 5.791 1.00 1.68 H new ATOM 1814 N GLN P 50 -5.933 -1.831 1.681 1.00 0.59 N ATOM 1815 CA GLN P 50 -5.026 -2.681 0.921 1.00 0.76 C ATOM 1816 C GLN P 50 -3.861 -3.123 1.815 1.00 0.63 C ATOM 1817 O GLN P 50 -3.649 -4.302 2.088 1.00 0.70 O ATOM 1818 CB GLN P 50 -4.548 -1.880 -0.312 1.00 1.03 C ATOM 1819 CG GLN P 50 -3.731 -2.712 -1.306 1.00 1.52 C ATOM 1820 CD GLN P 50 -4.574 -3.848 -1.875 1.00 3.74 C ATOM 1821 OE1 GLN P 50 -4.352 -5.010 -1.559 1.00 4.81 O ATOM 1822 NE2 GLN P 50 -5.580 -3.519 -2.673 1.00 5.15 N ATOM 0 H GLN P 50 -6.139 -0.945 1.220 1.00 0.59 H new ATOM 0 HA GLN P 50 -5.524 -3.588 0.578 1.00 0.76 H new ATOM 0 HB2 GLN P 50 -5.416 -1.466 -0.825 1.00 1.03 H new ATOM 0 HB3 GLN P 50 -3.945 -1.037 0.025 1.00 1.03 H new ATOM 0 HG2 GLN P 50 -3.375 -2.075 -2.116 1.00 1.52 H new ATOM 0 HG3 GLN P 50 -2.850 -3.119 -0.810 1.00 1.52 H new ATOM 0 HE21 GLN P 50 -5.738 -2.541 -2.917 1.00 5.15 H new ATOM 0 HE22 GLN P 50 -6.196 -4.243 -3.043 1.00 5.15 H new ATOM 1831 N ASN P 51 -3.132 -2.134 2.317 1.00 0.68 N ATOM 1832 CA ASN P 51 -1.883 -2.289 3.050 1.00 1.02 C ATOM 1833 C ASN P 51 -2.122 -3.086 4.329 1.00 1.05 C ATOM 1834 O ASN P 51 -1.342 -3.961 4.689 1.00 1.38 O ATOM 1835 CB ASN P 51 -1.313 -0.899 3.366 1.00 1.44 C ATOM 1836 CG ASN P 51 0.186 -0.914 3.643 1.00 2.43 C ATOM 1837 OD1 ASN P 51 0.962 -1.457 2.861 1.00 4.08 O ATOM 1838 ND2 ASN P 51 0.628 -0.259 4.707 1.00 2.45 N ATOM 0 H ASN P 51 -3.409 -1.157 2.219 1.00 0.68 H new ATOM 0 HA ASN P 51 -1.162 -2.838 2.444 1.00 1.02 H new ATOM 0 HB2 ASN P 51 -1.515 -0.232 2.528 1.00 1.44 H new ATOM 0 HB3 ASN P 51 -1.832 -0.489 4.232 1.00 1.44 H new ATOM 0 HD21 ASN P 51 1.630 -0.199 4.889 1.00 2.45 H new ATOM 0 HD22 ASN P 51 -0.034 0.185 5.344 1.00 2.45 H new ATOM 1845 N ARG P 52 -3.223 -2.787 5.017 1.00 0.95 N ATOM 1846 CA ARG P 52 -3.627 -3.495 6.217 1.00 1.20 C ATOM 1847 C ARG P 52 -3.966 -4.956 5.874 1.00 1.10 C ATOM 1848 O ARG P 52 -3.625 -5.862 6.636 1.00 1.29 O ATOM 1849 CB ARG P 52 -4.777 -2.710 6.884 1.00 1.44 C ATOM 1850 CG ARG P 52 -5.113 -3.093 8.327 1.00 1.29 C ATOM 1851 CD ARG P 52 -4.005 -2.714 9.328 1.00 1.69 C ATOM 1852 NE ARG P 52 -4.044 -1.307 9.785 1.00 1.83 N ATOM 1853 CZ ARG P 52 -3.240 -0.293 9.419 1.00 2.38 C ATOM 1854 NH1 ARG P 52 -2.511 -0.350 8.308 1.00 3.39 N ATOM 1855 NH2 ARG P 52 -3.146 0.802 10.166 1.00 3.07 N ATOM 0 H ARG P 52 -3.862 -2.038 4.749 1.00 0.95 H new ATOM 0 HA ARG P 52 -2.818 -3.550 6.945 1.00 1.20 H new ATOM 0 HB2 ARG P 52 -4.525 -1.650 6.861 1.00 1.44 H new ATOM 0 HB3 ARG P 52 -5.674 -2.838 6.279 1.00 1.44 H new ATOM 0 HG2 ARG P 52 -6.042 -2.603 8.620 1.00 1.29 H new ATOM 0 HG3 ARG P 52 -5.289 -4.167 8.379 1.00 1.29 H new ATOM 0 HD2 ARG P 52 -4.080 -3.367 10.197 1.00 1.69 H new ATOM 0 HD3 ARG P 52 -3.036 -2.906 8.867 1.00 1.69 H new ATOM 0 HE ARG P 52 -4.772 -1.078 10.462 1.00 1.83 H new ATOM 0 HH11 ARG P 52 -2.554 -1.176 7.712 1.00 3.39 H new ATOM 0 HH12 ARG P 52 -1.909 0.433 8.052 1.00 3.39 H new ATOM 0 HH21 ARG P 52 -3.687 0.880 11.027 1.00 3.07 H new ATOM 0 HH22 ARG P 52 -2.533 1.565 9.878 1.00 3.07 H new ATOM 1869 N ARG P 53 -4.620 -5.216 4.734 1.00 0.93 N ATOM 1870 CA ARG P 53 -5.011 -6.560 4.333 1.00 1.08 C ATOM 1871 C ARG P 53 -3.801 -7.476 4.136 1.00 1.04 C ATOM 1872 O ARG P 53 -3.769 -8.534 4.753 1.00 1.44 O ATOM 1873 CB ARG P 53 -5.893 -6.534 3.078 1.00 1.23 C ATOM 1874 CG ARG P 53 -6.741 -7.810 3.042 1.00 1.82 C ATOM 1875 CD ARG P 53 -7.542 -7.937 1.742 1.00 2.04 C ATOM 1876 NE ARG P 53 -6.648 -8.067 0.581 1.00 2.29 N ATOM 1877 CZ ARG P 53 -6.970 -7.752 -0.679 1.00 2.59 C ATOM 1878 NH1 ARG P 53 -8.226 -7.407 -0.939 1.00 2.90 N ATOM 1879 NH2 ARG P 53 -6.058 -7.782 -1.649 1.00 3.87 N ATOM 0 H ARG P 53 -4.890 -4.493 4.067 1.00 0.93 H new ATOM 0 HA ARG P 53 -5.601 -6.976 5.150 1.00 1.08 H new ATOM 0 HB2 ARG P 53 -6.536 -5.654 3.087 1.00 1.23 H new ATOM 0 HB3 ARG P 53 -5.274 -6.467 2.183 1.00 1.23 H new ATOM 0 HG2 ARG P 53 -6.092 -8.679 3.153 1.00 1.82 H new ATOM 0 HG3 ARG P 53 -7.426 -7.813 3.890 1.00 1.82 H new ATOM 0 HD2 ARG P 53 -8.198 -8.805 1.799 1.00 2.04 H new ATOM 0 HD3 ARG P 53 -8.180 -7.062 1.617 1.00 2.04 H new ATOM 0 HE ARG P 53 -5.708 -8.426 0.750 1.00 2.29 H new ATOM 0 HH11 ARG P 53 -8.915 -7.387 -0.188 1.00 2.90 H new ATOM 0 HH12 ARG P 53 -8.501 -7.162 -1.890 1.00 2.90 H new ATOM 0 HH21 ARG P 53 -5.096 -8.048 -1.437 1.00 3.87 H new ATOM 0 HH22 ARG P 53 -6.321 -7.539 -2.604 1.00 3.87 H new ATOM 1893 N MET P 54 -2.818 -7.067 3.317 1.00 0.82 N ATOM 1894 CA MET P 54 -1.564 -7.802 3.085 1.00 1.02 C ATOM 1895 C MET P 54 -1.093 -8.495 4.372 1.00 1.18 C ATOM 1896 O MET P 54 -0.785 -9.690 4.424 1.00 1.48 O ATOM 1897 CB MET P 54 -0.455 -6.803 2.682 1.00 1.09 C ATOM 1898 CG MET P 54 -0.213 -6.494 1.198 1.00 1.19 C ATOM 1899 SD MET P 54 -1.553 -5.824 0.192 1.00 2.13 S ATOM 1900 CE MET P 54 -2.288 -7.353 -0.397 1.00 1.38 C ATOM 0 H MET P 54 -2.874 -6.198 2.787 1.00 0.82 H new ATOM 0 HA MET P 54 -1.747 -8.540 2.304 1.00 1.02 H new ATOM 0 HB2 MET P 54 -0.671 -5.858 3.180 1.00 1.09 H new ATOM 0 HB3 MET P 54 0.483 -7.174 3.095 1.00 1.09 H new ATOM 0 HG2 MET P 54 0.618 -5.790 1.144 1.00 1.19 H new ATOM 0 HG3 MET P 54 0.120 -7.417 0.724 1.00 1.19 H new ATOM 0 HE1 MET P 54 -2.217 -7.396 -1.484 1.00 1.38 H new ATOM 0 HE2 MET P 54 -1.758 -8.202 0.035 1.00 1.38 H new ATOM 0 HE3 MET P 54 -3.336 -7.391 -0.100 1.00 1.38 H new ATOM 1910 N LYS P 55 -0.992 -7.665 5.402 1.00 1.12 N ATOM 1911 CA LYS P 55 -0.301 -7.933 6.645 1.00 1.41 C ATOM 1912 C LYS P 55 -1.167 -8.804 7.556 1.00 1.49 C ATOM 1913 O LYS P 55 -0.708 -9.731 8.227 1.00 1.81 O ATOM 1914 CB LYS P 55 0.036 -6.555 7.235 1.00 1.69 C ATOM 1915 CG LYS P 55 1.075 -5.905 6.313 1.00 2.90 C ATOM 1916 CD LYS P 55 1.408 -4.452 6.666 1.00 3.42 C ATOM 1917 CE LYS P 55 1.979 -3.722 5.437 1.00 5.06 C ATOM 1918 NZ LYS P 55 3.246 -4.294 4.924 1.00 5.96 N ATOM 0 H LYS P 55 -1.415 -6.737 5.386 1.00 1.12 H new ATOM 0 HA LYS P 55 0.618 -8.504 6.510 1.00 1.41 H new ATOM 0 HB2 LYS P 55 -0.859 -5.936 7.302 1.00 1.69 H new ATOM 0 HB3 LYS P 55 0.430 -6.656 8.246 1.00 1.69 H new ATOM 0 HG2 LYS P 55 1.992 -6.494 6.345 1.00 2.90 H new ATOM 0 HG3 LYS P 55 0.708 -5.943 5.287 1.00 2.90 H new ATOM 0 HD2 LYS P 55 0.511 -3.941 7.017 1.00 3.42 H new ATOM 0 HD3 LYS P 55 2.130 -4.425 7.482 1.00 3.42 H new ATOM 0 HE2 LYS P 55 1.236 -3.741 4.640 1.00 5.06 H new ATOM 0 HE3 LYS P 55 2.144 -2.676 5.694 1.00 5.06 H new ATOM 0 HZ1 LYS P 55 3.564 -3.748 4.098 1.00 5.96 H new ATOM 0 HZ2 LYS P 55 3.972 -4.252 5.668 1.00 5.96 H new ATOM 0 HZ3 LYS P 55 3.092 -5.284 4.646 1.00 5.96 H new ATOM 1932 N TRP P 56 -2.470 -8.540 7.553 1.00 1.43 N ATOM 1933 CA TRP P 56 -3.443 -9.385 8.190 1.00 1.70 C ATOM 1934 C TRP P 56 -3.250 -10.781 7.610 1.00 1.86 C ATOM 1935 O TRP P 56 -3.461 -11.027 6.422 1.00 2.28 O ATOM 1936 CB TRP P 56 -4.862 -8.852 7.966 1.00 1.67 C ATOM 1937 CG TRP P 56 -5.918 -9.493 8.813 1.00 2.41 C ATOM 1938 CD1 TRP P 56 -6.570 -8.896 9.831 1.00 2.82 C ATOM 1939 CD2 TRP P 56 -6.465 -10.846 8.733 1.00 3.17 C ATOM 1940 NE1 TRP P 56 -7.511 -9.760 10.345 1.00 3.57 N ATOM 1941 CE2 TRP P 56 -7.478 -10.989 9.725 1.00 3.88 C ATOM 1942 CE3 TRP P 56 -6.228 -11.959 7.904 1.00 3.54 C ATOM 1943 CZ2 TRP P 56 -8.209 -12.176 9.883 1.00 4.80 C ATOM 1944 CZ3 TRP P 56 -6.893 -13.182 8.106 1.00 4.61 C ATOM 1945 CH2 TRP P 56 -7.882 -13.293 9.099 1.00 5.20 C ATOM 0 H TRP P 56 -2.873 -7.720 7.099 1.00 1.43 H new ATOM 0 HA TRP P 56 -3.306 -9.407 9.271 1.00 1.70 H new ATOM 0 HB2 TRP P 56 -4.866 -7.779 8.157 1.00 1.67 H new ATOM 0 HB3 TRP P 56 -5.125 -8.990 6.917 1.00 1.67 H new ATOM 0 HD1 TRP P 56 -6.383 -7.894 10.188 1.00 2.82 H new ATOM 0 HE1 TRP P 56 -8.157 -9.518 11.097 1.00 3.57 H new ATOM 0 HE3 TRP P 56 -5.519 -11.872 7.094 1.00 3.54 H new ATOM 0 HZ2 TRP P 56 -9.015 -12.230 10.600 1.00 4.80 H new ATOM 0 HZ3 TRP P 56 -6.643 -14.038 7.497 1.00 4.61 H new ATOM 0 HH2 TRP P 56 -8.388 -14.234 9.258 1.00 5.20 H new