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 51 ASN : amide:sc= -0.424 K(o=-0.42,f=-9.7!) USER MOD Set 1.2: P 55 LYS NZ :NH3+ -143:sc= 0 (180deg=0) USER MOD Set 2.1: P 41 THR OG1 : rot 180:sc= 0.391 USER MOD Set 2.2: P 44 GLN : amide:sc= 0.0981 K(o=0.49,f=-2.6) USER MOD Single : P 7 THR OG1 : rot -15:sc= 0.695 USER MOD Single : P 8 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 180:sc= 0 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 12 GLN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : P 13 THR OG1 : rot 82:sc= 0.915 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= 0.959 K(o=0.96,f=-0.11) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : P 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 39 SER OG : rot -7:sc= 0.439 USER MOD Single : P 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : P 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 -2.137 10.699 9.456 1.00 3.35 N ATOM 1027 CA THR P 7 -2.653 9.918 10.559 1.00 3.51 C ATOM 1028 C THR P 7 -4.171 9.852 10.413 1.00 3.61 C ATOM 1029 O THR P 7 -4.802 10.797 9.927 1.00 4.18 O ATOM 1030 CB THR P 7 -2.217 10.551 11.884 1.00 3.89 C ATOM 1031 OG1 THR P 7 -2.153 11.951 11.726 1.00 4.93 O ATOM 1032 CG2 THR P 7 -0.811 10.096 12.258 1.00 3.61 C ATOM 0 HA THR P 7 -2.259 8.902 10.551 1.00 3.51 H new ATOM 0 HB THR P 7 -2.933 10.256 12.651 1.00 3.89 H new ATOM 0 HG1 THR P 7 -2.162 12.173 10.772 1.00 4.93 H new ATOM 0 HG21 THR P 7 -0.519 10.556 13.202 1.00 3.61 H new ATOM 0 HG22 THR P 7 -0.795 9.011 12.363 1.00 3.61 H new ATOM 0 HG23 THR P 7 -0.112 10.395 11.477 1.00 3.61 H new ATOM 1040 N TYR P 8 -4.739 8.706 10.774 1.00 3.22 N ATOM 1041 CA TYR P 8 -6.108 8.326 10.476 1.00 3.31 C ATOM 1042 C TYR P 8 -6.853 8.279 11.819 1.00 3.72 C ATOM 1043 O TYR P 8 -6.363 7.656 12.768 1.00 3.86 O ATOM 1044 CB TYR P 8 -6.059 6.971 9.745 1.00 2.92 C ATOM 1045 CG TYR P 8 -5.401 6.973 8.361 1.00 2.46 C ATOM 1046 CD1 TYR P 8 -4.010 7.138 8.211 1.00 2.13 C ATOM 1047 CD2 TYR P 8 -6.160 6.659 7.219 1.00 3.51 C ATOM 1048 CE1 TYR P 8 -3.403 7.016 6.947 1.00 2.18 C ATOM 1049 CE2 TYR P 8 -5.523 6.392 5.991 1.00 3.10 C ATOM 1050 CZ TYR P 8 -4.146 6.598 5.835 1.00 1.95 C ATOM 1051 OH TYR P 8 -3.489 6.043 4.770 1.00 1.97 O ATOM 0 H TYR P 8 -4.236 7.992 11.302 1.00 3.22 H new ATOM 0 HA TYR P 8 -6.635 9.024 9.825 1.00 3.31 H new ATOM 0 HB2 TYR P 8 -5.527 6.260 10.377 1.00 2.92 H new ATOM 0 HB3 TYR P 8 -7.079 6.602 9.639 1.00 2.92 H new ATOM 0 HD1 TYR P 8 -3.402 7.361 9.076 1.00 2.13 H new ATOM 0 HD2 TYR P 8 -7.237 6.622 7.284 1.00 3.51 H new ATOM 0 HE1 TYR P 8 -2.354 7.247 6.833 1.00 2.18 H new ATOM 0 HE2 TYR P 8 -6.104 6.024 5.159 1.00 3.10 H new ATOM 0 HH TYR P 8 -4.137 5.802 4.076 1.00 1.97 H new ATOM 1061 N THR P 9 -7.978 8.985 11.943 1.00 3.93 N ATOM 1062 CA THR P 9 -8.689 9.174 13.201 1.00 4.16 C ATOM 1063 C THR P 9 -9.775 8.120 13.430 1.00 4.46 C ATOM 1064 O THR P 9 -10.337 7.561 12.488 1.00 4.90 O ATOM 1065 CB THR P 9 -9.281 10.590 13.274 1.00 4.07 C ATOM 1066 OG1 THR P 9 -10.180 10.855 12.215 1.00 4.17 O ATOM 1067 CG2 THR P 9 -8.179 11.644 13.240 1.00 3.96 C ATOM 0 H THR P 9 -8.427 9.449 11.153 1.00 3.93 H new ATOM 0 HA THR P 9 -7.960 9.050 14.001 1.00 4.16 H new ATOM 0 HB THR P 9 -9.825 10.640 14.217 1.00 4.07 H new ATOM 0 HG1 THR P 9 -10.532 11.765 12.304 1.00 4.17 H new ATOM 0 HG21 THR P 9 -8.624 12.638 13.293 1.00 3.96 H new ATOM 0 HG22 THR P 9 -7.511 11.500 14.089 1.00 3.96 H new ATOM 0 HG23 THR P 9 -7.613 11.549 12.313 1.00 3.96 H new ATOM 1075 N ARG P 10 -10.089 7.898 14.706 1.00 4.37 N ATOM 1076 CA ARG P 10 -11.013 6.905 15.231 1.00 4.48 C ATOM 1077 C ARG P 10 -12.291 6.816 14.394 1.00 4.43 C ATOM 1078 O ARG P 10 -12.643 5.729 13.930 1.00 4.22 O ATOM 1079 CB ARG P 10 -11.287 7.263 16.702 1.00 4.93 C ATOM 1080 CG ARG P 10 -11.835 6.153 17.600 1.00 5.75 C ATOM 1081 CD ARG P 10 -13.301 5.758 17.391 1.00 7.49 C ATOM 1082 NE ARG P 10 -14.248 6.893 17.430 1.00 8.90 N ATOM 1083 CZ ARG P 10 -15.575 6.750 17.599 1.00 10.10 C ATOM 1084 NH1 ARG P 10 -16.089 5.541 17.823 1.00 10.12 N ATOM 1085 NH2 ARG P 10 -16.368 7.815 17.540 1.00 11.54 N ATOM 0 H ARG P 10 -9.670 8.452 15.453 1.00 4.37 H new ATOM 0 HA ARG P 10 -10.574 5.909 15.175 1.00 4.48 H new ATOM 0 HB2 ARG P 10 -10.357 7.625 17.141 1.00 4.93 H new ATOM 0 HB3 ARG P 10 -11.993 8.093 16.722 1.00 4.93 H new ATOM 0 HG2 ARG P 10 -11.220 5.265 17.457 1.00 5.75 H new ATOM 0 HG3 ARG P 10 -11.711 6.463 18.638 1.00 5.75 H new ATOM 0 HD2 ARG P 10 -13.396 5.254 16.429 1.00 7.49 H new ATOM 0 HD3 ARG P 10 -13.584 5.037 18.158 1.00 7.49 H new ATOM 0 HE ARG P 10 -13.875 7.836 17.323 1.00 8.90 H new ATOM 0 HH11 ARG P 10 -15.477 4.726 17.866 1.00 10.12 H new ATOM 0 HH12 ARG P 10 -17.095 5.430 17.951 1.00 10.12 H new ATOM 0 HH21 ARG P 10 -15.970 8.738 17.367 1.00 11.54 H new ATOM 0 HH22 ARG P 10 -17.374 7.709 17.668 1.00 11.54 H new ATOM 1099 N TYR P 11 -12.993 7.938 14.202 1.00 4.67 N ATOM 1100 CA TYR P 11 -14.288 7.910 13.525 1.00 4.70 C ATOM 1101 C TYR P 11 -14.152 7.427 12.078 1.00 4.41 C ATOM 1102 O TYR P 11 -14.883 6.545 11.625 1.00 4.29 O ATOM 1103 CB TYR P 11 -14.970 9.287 13.559 1.00 5.09 C ATOM 1104 CG TYR P 11 -16.203 9.337 12.673 1.00 5.18 C ATOM 1105 CD1 TYR P 11 -17.327 8.569 13.022 1.00 5.36 C ATOM 1106 CD2 TYR P 11 -16.092 9.835 11.361 1.00 5.21 C ATOM 1107 CE1 TYR P 11 -18.290 8.246 12.050 1.00 5.47 C ATOM 1108 CE2 TYR P 11 -17.047 9.501 10.387 1.00 5.30 C ATOM 1109 CZ TYR P 11 -18.135 8.687 10.727 1.00 5.38 C ATOM 1110 OH TYR P 11 -18.894 8.107 9.754 1.00 5.60 O ATOM 0 H TYR P 11 -12.689 8.864 14.502 1.00 4.67 H new ATOM 0 HA TYR P 11 -14.915 7.202 14.067 1.00 4.70 H new ATOM 0 HB2 TYR P 11 -15.251 9.526 14.585 1.00 5.09 H new ATOM 0 HB3 TYR P 11 -14.261 10.050 13.237 1.00 5.09 H new ATOM 0 HD1 TYR P 11 -17.451 8.226 14.039 1.00 5.36 H new ATOM 0 HD2 TYR P 11 -15.265 10.480 11.101 1.00 5.21 H new ATOM 0 HE1 TYR P 11 -19.153 7.656 12.323 1.00 5.47 H new ATOM 0 HE2 TYR P 11 -16.943 9.871 9.378 1.00 5.30 H new ATOM 0 HH TYR P 11 -18.681 8.513 8.888 1.00 5.60 H new ATOM 1120 N GLN P 12 -13.257 8.061 11.324 1.00 4.37 N ATOM 1121 CA GLN P 12 -13.089 7.755 9.915 1.00 4.16 C ATOM 1122 C GLN P 12 -12.513 6.348 9.728 1.00 3.80 C ATOM 1123 O GLN P 12 -12.796 5.698 8.726 1.00 3.75 O ATOM 1124 CB GLN P 12 -12.259 8.864 9.246 1.00 4.36 C ATOM 1125 CG GLN P 12 -13.145 10.035 8.781 1.00 5.24 C ATOM 1126 CD GLN P 12 -12.753 11.391 9.362 1.00 5.45 C ATOM 1127 OE1 GLN P 12 -12.935 11.638 10.554 1.00 6.22 O ATOM 1128 NE2 GLN P 12 -12.268 12.304 8.535 1.00 5.29 N ATOM 0 H GLN P 12 -12.637 8.792 11.672 1.00 4.37 H new ATOM 0 HA GLN P 12 -14.057 7.739 9.414 1.00 4.16 H new ATOM 0 HB2 GLN P 12 -11.509 9.231 9.947 1.00 4.36 H new ATOM 0 HB3 GLN P 12 -11.722 8.452 8.392 1.00 4.36 H new ATOM 0 HG2 GLN P 12 -13.106 10.094 7.693 1.00 5.24 H new ATOM 0 HG3 GLN P 12 -14.179 9.822 9.052 1.00 5.24 H new ATOM 0 HE21 GLN P 12 -12.126 12.076 7.551 1.00 5.29 H new ATOM 0 HE22 GLN P 12 -12.037 13.235 8.882 1.00 5.29 H new ATOM 1137 N THR P 13 -11.712 5.861 10.672 1.00 3.74 N ATOM 1138 CA THR P 13 -11.263 4.478 10.690 1.00 3.54 C ATOM 1139 C THR P 13 -12.455 3.532 10.908 1.00 3.67 C ATOM 1140 O THR P 13 -12.553 2.528 10.210 1.00 3.60 O ATOM 1141 CB THR P 13 -10.142 4.365 11.734 1.00 3.61 C ATOM 1142 OG1 THR P 13 -9.116 5.281 11.376 1.00 3.66 O ATOM 1143 CG2 THR P 13 -9.531 2.968 11.816 1.00 3.42 C ATOM 0 H THR P 13 -11.356 6.420 11.448 1.00 3.74 H new ATOM 0 HA THR P 13 -10.844 4.168 9.733 1.00 3.54 H new ATOM 0 HB THR P 13 -10.578 4.584 12.709 1.00 3.61 H new ATOM 0 HG1 THR P 13 -9.350 6.176 11.699 1.00 3.66 H new ATOM 0 HG21 THR P 13 -8.746 2.958 12.572 1.00 3.42 H new ATOM 0 HG22 THR P 13 -10.304 2.248 12.086 1.00 3.42 H new ATOM 0 HG23 THR P 13 -9.106 2.699 10.849 1.00 3.42 H new ATOM 1151 N LEU P 14 -13.365 3.849 11.836 1.00 3.92 N ATOM 1152 CA LEU P 14 -14.505 3.011 12.216 1.00 4.16 C ATOM 1153 C LEU P 14 -15.214 2.360 11.018 1.00 4.00 C ATOM 1154 O LEU P 14 -15.434 1.148 11.008 1.00 3.91 O ATOM 1155 CB LEU P 14 -15.496 3.844 13.046 1.00 4.71 C ATOM 1156 CG LEU P 14 -15.987 3.119 14.301 1.00 5.44 C ATOM 1157 CD1 LEU P 14 -16.892 4.073 15.080 1.00 6.00 C ATOM 1158 CD2 LEU P 14 -16.770 1.839 13.991 1.00 6.19 C ATOM 0 H LEU P 14 -13.326 4.724 12.359 1.00 3.92 H new ATOM 0 HA LEU P 14 -14.114 2.187 12.812 1.00 4.16 H new ATOM 0 HB2 LEU P 14 -15.019 4.780 13.338 1.00 4.71 H new ATOM 0 HB3 LEU P 14 -16.353 4.103 12.425 1.00 4.71 H new ATOM 0 HG LEU P 14 -15.109 2.824 14.876 1.00 5.44 H new ATOM 0 HD11 LEU P 14 -17.255 3.577 15.980 1.00 6.00 H new ATOM 0 HD12 LEU P 14 -16.328 4.963 15.358 1.00 6.00 H new ATOM 0 HD13 LEU P 14 -17.740 4.360 14.458 1.00 6.00 H new ATOM 0 HD21 LEU P 14 -17.090 1.373 14.923 1.00 6.19 H new ATOM 0 HD22 LEU P 14 -17.645 2.085 13.389 1.00 6.19 H new ATOM 0 HD23 LEU P 14 -16.133 1.147 13.440 1.00 6.19 H new ATOM 1170 N GLU P 15 -15.575 3.170 10.017 1.00 4.01 N ATOM 1171 CA GLU P 15 -16.185 2.711 8.773 1.00 4.01 C ATOM 1172 C GLU P 15 -15.420 1.505 8.241 1.00 3.39 C ATOM 1173 O GLU P 15 -15.980 0.461 7.901 1.00 3.28 O ATOM 1174 CB GLU P 15 -16.110 3.855 7.740 1.00 4.26 C ATOM 1175 CG GLU P 15 -16.440 3.441 6.293 1.00 5.13 C ATOM 1176 CD GLU P 15 -17.935 3.439 6.020 1.00 5.91 C ATOM 1177 OE1 GLU P 15 -18.694 2.989 6.905 1.00 5.73 O ATOM 1178 OE2 GLU P 15 -18.358 3.918 4.946 1.00 7.10 O ATOM 0 H GLU P 15 -15.447 4.181 10.053 1.00 4.01 H new ATOM 0 HA GLU P 15 -17.222 2.428 8.951 1.00 4.01 H new ATOM 0 HB2 GLU P 15 -16.797 4.645 8.043 1.00 4.26 H new ATOM 0 HB3 GLU P 15 -15.107 4.280 7.762 1.00 4.26 H new ATOM 0 HG2 GLU P 15 -15.948 4.124 5.601 1.00 5.13 H new ATOM 0 HG3 GLU P 15 -16.037 2.447 6.101 1.00 5.13 H new ATOM 1185 N LEU P 16 -14.127 1.726 8.087 1.00 3.08 N ATOM 1186 CA LEU P 16 -13.254 0.881 7.323 1.00 2.70 C ATOM 1187 C LEU P 16 -12.921 -0.385 8.107 1.00 2.32 C ATOM 1188 O LEU P 16 -12.757 -1.442 7.494 1.00 2.03 O ATOM 1189 CB LEU P 16 -12.029 1.703 6.936 1.00 2.71 C ATOM 1190 CG LEU P 16 -12.301 2.811 5.913 1.00 3.02 C ATOM 1191 CD1 LEU P 16 -10.955 3.398 5.488 1.00 3.23 C ATOM 1192 CD2 LEU P 16 -13.001 2.286 4.657 1.00 3.20 C ATOM 0 H LEU P 16 -13.650 2.524 8.506 1.00 3.08 H new ATOM 0 HA LEU P 16 -13.732 0.536 6.406 1.00 2.70 H new ATOM 0 HB2 LEU P 16 -11.610 2.153 7.836 1.00 2.71 H new ATOM 0 HB3 LEU P 16 -11.270 1.032 6.532 1.00 2.71 H new ATOM 0 HG LEU P 16 -12.952 3.550 6.380 1.00 3.02 H new ATOM 0 HD11 LEU P 16 -11.118 4.191 4.758 1.00 3.23 H new ATOM 0 HD12 LEU P 16 -10.445 3.807 6.360 1.00 3.23 H new ATOM 0 HD13 LEU P 16 -10.341 2.615 5.042 1.00 3.23 H new ATOM 0 HD21 LEU P 16 -13.171 3.110 3.964 1.00 3.20 H new ATOM 0 HD22 LEU P 16 -12.374 1.533 4.179 1.00 3.20 H new ATOM 0 HD23 LEU P 16 -13.957 1.841 4.933 1.00 3.20 H new ATOM 1204 N GLU P 17 -12.874 -0.305 9.442 1.00 2.49 N ATOM 1205 CA GLU P 17 -12.820 -1.506 10.259 1.00 2.39 C ATOM 1206 C GLU P 17 -13.970 -2.444 9.870 1.00 2.43 C ATOM 1207 O GLU P 17 -13.737 -3.636 9.670 1.00 2.22 O ATOM 1208 CB GLU P 17 -12.837 -1.181 11.764 1.00 2.86 C ATOM 1209 CG GLU P 17 -11.761 -0.152 12.146 1.00 3.28 C ATOM 1210 CD GLU P 17 -11.362 -0.227 13.603 1.00 3.80 C ATOM 1211 OE1 GLU P 17 -12.085 0.385 14.417 1.00 5.16 O ATOM 1212 OE2 GLU P 17 -10.350 -0.876 13.945 1.00 3.48 O ATOM 0 H GLU P 17 -12.873 0.570 9.967 1.00 2.49 H new ATOM 0 HA GLU P 17 -11.873 -2.011 10.067 1.00 2.39 H new ATOM 0 HB2 GLU P 17 -13.819 -0.797 12.040 1.00 2.86 H new ATOM 0 HB3 GLU P 17 -12.681 -2.097 12.334 1.00 2.86 H new ATOM 0 HG2 GLU P 17 -10.879 -0.309 11.525 1.00 3.28 H new ATOM 0 HG3 GLU P 17 -12.130 0.850 11.927 1.00 3.28 H new ATOM 1219 N LYS P 18 -15.192 -1.910 9.786 1.00 2.82 N ATOM 1220 CA LYS P 18 -16.374 -2.690 9.439 1.00 2.98 C ATOM 1221 C LYS P 18 -16.277 -3.236 8.014 1.00 2.78 C ATOM 1222 O LYS P 18 -16.450 -4.444 7.822 1.00 2.69 O ATOM 1223 CB LYS P 18 -17.651 -1.860 9.598 1.00 3.54 C ATOM 1224 CG LYS P 18 -17.910 -1.420 11.040 1.00 3.66 C ATOM 1225 CD LYS P 18 -19.247 -0.678 11.127 1.00 4.32 C ATOM 1226 CE LYS P 18 -19.166 0.761 10.602 1.00 5.38 C ATOM 1227 NZ LYS P 18 -20.441 1.483 10.774 1.00 6.07 N ATOM 0 H LYS P 18 -15.385 -0.923 9.958 1.00 2.82 H new ATOM 0 HA LYS P 18 -16.421 -3.532 10.129 1.00 2.98 H new ATOM 0 HB2 LYS P 18 -17.584 -0.977 8.962 1.00 3.54 H new ATOM 0 HB3 LYS P 18 -18.502 -2.443 9.245 1.00 3.54 H new ATOM 0 HG2 LYS P 18 -17.923 -2.289 11.698 1.00 3.66 H new ATOM 0 HG3 LYS P 18 -17.102 -0.773 11.383 1.00 3.66 H new ATOM 0 HD2 LYS P 18 -19.998 -1.225 10.558 1.00 4.32 H new ATOM 0 HD3 LYS P 18 -19.582 -0.663 12.164 1.00 4.32 H new ATOM 0 HE2 LYS P 18 -18.373 1.295 11.127 1.00 5.38 H new ATOM 0 HE3 LYS P 18 -18.896 0.747 9.546 1.00 5.38 H new ATOM 0 HZ1 LYS P 18 -20.344 2.451 10.407 1.00 6.07 H new ATOM 0 HZ2 LYS P 18 -21.193 0.989 10.253 1.00 6.07 H new ATOM 0 HZ3 LYS P 18 -20.686 1.519 11.784 1.00 6.07 H new ATOM 1241 N GLU P 19 -16.013 -2.368 7.029 1.00 2.81 N ATOM 1242 CA GLU P 19 -15.860 -2.787 5.641 1.00 2.73 C ATOM 1243 C GLU P 19 -14.904 -3.973 5.578 1.00 2.36 C ATOM 1244 O GLU P 19 -15.286 -5.065 5.174 1.00 2.36 O ATOM 1245 CB GLU P 19 -15.318 -1.644 4.765 1.00 2.78 C ATOM 1246 CG GLU P 19 -16.396 -0.637 4.334 1.00 3.12 C ATOM 1247 CD GLU P 19 -17.215 -1.095 3.142 1.00 3.77 C ATOM 1248 OE1 GLU P 19 -17.083 -2.278 2.743 1.00 4.42 O ATOM 1249 OE2 GLU P 19 -17.956 -0.267 2.573 1.00 4.31 O ATOM 0 H GLU P 19 -15.901 -1.365 7.176 1.00 2.81 H new ATOM 0 HA GLU P 19 -16.841 -3.070 5.258 1.00 2.73 H new ATOM 0 HB2 GLU P 19 -14.537 -1.116 5.313 1.00 2.78 H new ATOM 0 HB3 GLU P 19 -14.852 -2.068 3.876 1.00 2.78 H new ATOM 0 HG2 GLU P 19 -17.065 -0.452 5.174 1.00 3.12 H new ATOM 0 HG3 GLU P 19 -15.918 0.312 4.092 1.00 3.12 H new ATOM 1256 N PHE P 20 -13.655 -3.755 5.978 1.00 2.13 N ATOM 1257 CA PHE P 20 -12.604 -4.743 5.818 1.00 1.86 C ATOM 1258 C PHE P 20 -12.945 -6.054 6.526 1.00 1.86 C ATOM 1259 O PHE P 20 -12.715 -7.137 5.983 1.00 2.01 O ATOM 1260 CB PHE P 20 -11.287 -4.150 6.307 1.00 1.72 C ATOM 1261 CG PHE P 20 -10.117 -5.084 6.116 1.00 1.46 C ATOM 1262 CD1 PHE P 20 -9.543 -5.205 4.841 1.00 1.74 C ATOM 1263 CD2 PHE P 20 -9.837 -6.046 7.099 1.00 1.79 C ATOM 1264 CE1 PHE P 20 -8.744 -6.315 4.534 1.00 1.63 C ATOM 1265 CE2 PHE P 20 -9.081 -7.180 6.773 1.00 1.78 C ATOM 1266 CZ PHE P 20 -8.542 -7.324 5.486 1.00 1.27 C ATOM 0 H PHE P 20 -13.348 -2.889 6.421 1.00 2.13 H new ATOM 0 HA PHE P 20 -12.505 -4.993 4.762 1.00 1.86 H new ATOM 0 HB2 PHE P 20 -11.093 -3.219 5.774 1.00 1.72 H new ATOM 0 HB3 PHE P 20 -11.377 -3.900 7.364 1.00 1.72 H new ATOM 0 HD1 PHE P 20 -9.717 -4.443 4.096 1.00 1.74 H new ATOM 0 HD2 PHE P 20 -10.204 -5.912 8.106 1.00 1.79 H new ATOM 0 HE1 PHE P 20 -8.282 -6.393 3.561 1.00 1.63 H new ATOM 0 HE2 PHE P 20 -8.913 -7.946 7.515 1.00 1.78 H new ATOM 0 HZ PHE P 20 -7.975 -8.207 5.230 1.00 1.27 H new ATOM 1276 N HIS P 21 -13.499 -5.964 7.736 1.00 1.92 N ATOM 1277 CA HIS P 21 -13.938 -7.134 8.480 1.00 2.02 C ATOM 1278 C HIS P 21 -14.889 -7.991 7.637 1.00 2.25 C ATOM 1279 O HIS P 21 -14.851 -9.222 7.731 1.00 2.38 O ATOM 1280 CB HIS P 21 -14.594 -6.692 9.792 1.00 2.19 C ATOM 1281 CG HIS P 21 -15.018 -7.836 10.673 1.00 2.67 C ATOM 1282 ND1 HIS P 21 -14.198 -8.553 11.512 1.00 3.59 N ATOM 1283 CD2 HIS P 21 -16.278 -8.363 10.768 1.00 3.34 C ATOM 1284 CE1 HIS P 21 -14.957 -9.497 12.095 1.00 3.83 C ATOM 1285 NE2 HIS P 21 -16.228 -9.436 11.663 1.00 3.67 N ATOM 0 H HIS P 21 -13.653 -5.080 8.222 1.00 1.92 H new ATOM 0 HA HIS P 21 -13.073 -7.753 8.718 1.00 2.02 H new ATOM 0 HB2 HIS P 21 -13.896 -6.061 10.342 1.00 2.19 H new ATOM 0 HB3 HIS P 21 -15.466 -6.079 9.563 1.00 2.19 H new ATOM 0 HD2 HIS P 21 -17.155 -8.012 10.244 1.00 3.34 H new ATOM 0 HE1 HIS P 21 -14.592 -10.212 12.817 1.00 3.83 H new ATOM 0 HE2 HIS P 21 -16.999 -10.047 11.933 1.00 3.67 H new ATOM 1293 N PHE P 22 -15.738 -7.354 6.832 1.00 2.53 N ATOM 1294 CA PHE P 22 -16.787 -8.007 6.064 1.00 2.87 C ATOM 1295 C PHE P 22 -16.302 -8.445 4.680 1.00 2.95 C ATOM 1296 O PHE P 22 -16.587 -9.566 4.253 1.00 3.16 O ATOM 1297 CB PHE P 22 -17.958 -7.026 5.940 1.00 3.08 C ATOM 1298 CG PHE P 22 -19.251 -7.629 5.435 1.00 3.68 C ATOM 1299 CD1 PHE P 22 -20.069 -8.392 6.283 1.00 4.11 C ATOM 1300 CD2 PHE P 22 -19.668 -7.386 4.118 1.00 4.66 C ATOM 1301 CE1 PHE P 22 -21.281 -8.917 5.802 1.00 4.59 C ATOM 1302 CE2 PHE P 22 -20.852 -7.954 3.628 1.00 5.19 C ATOM 1303 CZ PHE P 22 -21.664 -8.727 4.467 1.00 4.79 C ATOM 0 H PHE P 22 -15.711 -6.344 6.695 1.00 2.53 H new ATOM 0 HA PHE P 22 -17.097 -8.915 6.581 1.00 2.87 H new ATOM 0 HB2 PHE P 22 -18.141 -6.578 6.917 1.00 3.08 H new ATOM 0 HB3 PHE P 22 -17.666 -6.218 5.269 1.00 3.08 H new ATOM 0 HD1 PHE P 22 -19.768 -8.575 7.304 1.00 4.11 H new ATOM 0 HD2 PHE P 22 -19.071 -6.755 3.476 1.00 4.66 H new ATOM 0 HE1 PHE P 22 -21.924 -9.473 6.468 1.00 4.59 H new ATOM 0 HE2 PHE P 22 -21.139 -7.795 2.599 1.00 5.19 H new ATOM 0 HZ PHE P 22 -22.574 -9.171 4.090 1.00 4.79 H new ATOM 1313 N ASN P 23 -15.638 -7.548 3.954 1.00 2.87 N ATOM 1314 CA ASN P 23 -15.420 -7.615 2.505 1.00 2.91 C ATOM 1315 C ASN P 23 -14.274 -6.704 2.048 1.00 2.45 C ATOM 1316 O ASN P 23 -14.053 -5.644 2.636 1.00 2.45 O ATOM 1317 CB ASN P 23 -16.714 -7.273 1.745 1.00 3.36 C ATOM 1318 CG ASN P 23 -17.239 -5.834 1.872 1.00 3.05 C ATOM 1319 OD1 ASN P 23 -18.158 -5.449 1.155 1.00 3.22 O ATOM 1320 ND2 ASN P 23 -16.747 -5.022 2.800 1.00 3.13 N ATOM 0 H ASN P 23 -15.218 -6.719 4.374 1.00 2.87 H new ATOM 0 HA ASN P 23 -15.132 -8.640 2.272 1.00 2.91 H new ATOM 0 HB2 ASN P 23 -16.551 -7.482 0.688 1.00 3.36 H new ATOM 0 HB3 ASN P 23 -17.497 -7.950 2.087 1.00 3.36 H new ATOM 0 HD21 ASN P 23 -17.133 -4.085 2.914 1.00 3.13 H new ATOM 0 HD22 ASN P 23 -15.983 -5.336 3.399 1.00 3.13 H new ATOM 1327 N ARG P 24 -13.524 -7.123 1.022 1.00 2.44 N ATOM 1328 CA ARG P 24 -12.280 -6.498 0.588 1.00 2.24 C ATOM 1329 C ARG P 24 -12.453 -5.732 -0.730 1.00 2.37 C ATOM 1330 O ARG P 24 -12.416 -4.504 -0.732 1.00 2.36 O ATOM 1331 CB ARG P 24 -11.187 -7.577 0.488 1.00 2.27 C ATOM 1332 CG ARG P 24 -10.868 -8.156 1.876 1.00 2.13 C ATOM 1333 CD ARG P 24 -9.984 -9.414 1.823 1.00 2.55 C ATOM 1334 NE ARG P 24 -10.628 -10.539 1.121 1.00 2.83 N ATOM 1335 CZ ARG P 24 -11.666 -11.261 1.574 1.00 2.95 C ATOM 1336 NH1 ARG P 24 -12.197 -10.987 2.764 1.00 3.30 N ATOM 1337 NH2 ARG P 24 -12.175 -12.254 0.855 1.00 3.86 N ATOM 0 H ARG P 24 -13.779 -7.933 0.456 1.00 2.44 H new ATOM 0 HA ARG P 24 -11.979 -5.755 1.326 1.00 2.24 H new ATOM 0 HB2 ARG P 24 -11.516 -8.375 -0.178 1.00 2.27 H new ATOM 0 HB3 ARG P 24 -10.285 -7.149 0.051 1.00 2.27 H new ATOM 0 HG2 ARG P 24 -10.368 -7.394 2.473 1.00 2.13 H new ATOM 0 HG3 ARG P 24 -11.801 -8.398 2.384 1.00 2.13 H new ATOM 0 HD2 ARG P 24 -9.045 -9.171 1.325 1.00 2.55 H new ATOM 0 HD3 ARG P 24 -9.736 -9.721 2.839 1.00 2.55 H new ATOM 0 HE ARG P 24 -10.251 -10.792 0.208 1.00 2.83 H new ATOM 0 HH11 ARG P 24 -11.815 -10.229 3.331 1.00 3.30 H new ATOM 0 HH12 ARG P 24 -12.985 -11.535 3.109 1.00 3.30 H new ATOM 0 HH21 ARG P 24 -11.778 -12.479 -0.057 1.00 3.86 H new ATOM 0 HH22 ARG P 24 -12.963 -12.792 1.215 1.00 3.86 H new ATOM 1351 N TYR P 25 -12.623 -6.430 -1.853 1.00 2.83 N ATOM 1352 CA TYR P 25 -12.549 -5.820 -3.182 1.00 3.13 C ATOM 1353 C TYR P 25 -13.677 -4.805 -3.368 1.00 3.33 C ATOM 1354 O TYR P 25 -14.842 -5.148 -3.167 1.00 3.52 O ATOM 1355 CB TYR P 25 -12.673 -6.893 -4.272 1.00 3.35 C ATOM 1356 CG TYR P 25 -11.381 -7.575 -4.669 1.00 3.45 C ATOM 1357 CD1 TYR P 25 -10.924 -8.697 -3.961 1.00 3.78 C ATOM 1358 CD2 TYR P 25 -10.716 -7.186 -5.844 1.00 4.15 C ATOM 1359 CE1 TYR P 25 -9.883 -9.482 -4.484 1.00 4.21 C ATOM 1360 CE2 TYR P 25 -9.702 -7.992 -6.383 1.00 4.51 C ATOM 1361 CZ TYR P 25 -9.311 -9.165 -5.721 1.00 4.27 C ATOM 1362 OH TYR P 25 -8.364 -9.982 -6.258 1.00 4.76 O ATOM 0 H TYR P 25 -12.815 -7.432 -1.868 1.00 2.83 H new ATOM 0 HA TYR P 25 -11.585 -5.319 -3.266 1.00 3.13 H new ATOM 0 HB2 TYR P 25 -13.374 -7.654 -3.929 1.00 3.35 H new ATOM 0 HB3 TYR P 25 -13.109 -6.435 -5.160 1.00 3.35 H new ATOM 0 HD1 TYR P 25 -11.373 -8.957 -3.014 1.00 3.78 H new ATOM 0 HD2 TYR P 25 -10.987 -6.263 -6.334 1.00 4.15 H new ATOM 0 HE1 TYR P 25 -9.522 -10.335 -3.928 1.00 4.21 H new ATOM 0 HE2 TYR P 25 -9.222 -7.709 -7.308 1.00 4.51 H new ATOM 0 HH TYR P 25 -8.070 -9.620 -7.120 1.00 4.76 H new ATOM 1372 N LEU P 26 -13.374 -3.571 -3.761 1.00 3.57 N ATOM 1373 CA LEU P 26 -14.387 -2.583 -4.120 1.00 3.87 C ATOM 1374 C LEU P 26 -14.517 -2.483 -5.641 1.00 4.19 C ATOM 1375 O LEU P 26 -13.668 -2.962 -6.403 1.00 4.51 O ATOM 1376 CB LEU P 26 -14.055 -1.213 -3.507 1.00 3.65 C ATOM 1377 CG LEU P 26 -14.137 -1.225 -1.972 1.00 3.60 C ATOM 1378 CD1 LEU P 26 -12.749 -1.283 -1.325 1.00 3.74 C ATOM 1379 CD2 LEU P 26 -14.854 0.016 -1.442 1.00 3.51 C ATOM 0 H LEU P 26 -12.417 -3.227 -3.840 1.00 3.57 H new ATOM 0 HA LEU P 26 -15.345 -2.908 -3.714 1.00 3.87 H new ATOM 0 HB2 LEU P 26 -13.052 -0.914 -3.813 1.00 3.65 H new ATOM 0 HB3 LEU P 26 -14.744 -0.465 -3.900 1.00 3.65 H new ATOM 0 HG LEU P 26 -14.698 -2.121 -1.709 1.00 3.60 H new ATOM 0 HD11 LEU P 26 -12.853 -1.290 -0.240 1.00 3.74 H new ATOM 0 HD12 LEU P 26 -12.236 -2.189 -1.646 1.00 3.74 H new ATOM 0 HD13 LEU P 26 -12.169 -0.411 -1.628 1.00 3.74 H new ATOM 0 HD21 LEU P 26 -14.895 -0.024 -0.354 1.00 3.51 H new ATOM 0 HD22 LEU P 26 -14.312 0.910 -1.752 1.00 3.51 H new ATOM 0 HD23 LEU P 26 -15.867 0.049 -1.842 1.00 3.51 H new ATOM 1391 N THR P 27 -15.610 -1.872 -6.087 1.00 4.21 N ATOM 1392 CA THR P 27 -15.706 -1.277 -7.404 1.00 4.39 C ATOM 1393 C THR P 27 -15.122 0.138 -7.330 1.00 4.21 C ATOM 1394 O THR P 27 -15.182 0.777 -6.270 1.00 3.92 O ATOM 1395 CB THR P 27 -17.170 -1.261 -7.851 1.00 4.70 C ATOM 1396 OG1 THR P 27 -17.982 -0.723 -6.828 1.00 3.94 O ATOM 1397 CG2 THR P 27 -17.661 -2.666 -8.207 1.00 5.45 C ATOM 0 H THR P 27 -16.461 -1.778 -5.533 1.00 4.21 H new ATOM 0 HA THR P 27 -15.144 -1.854 -8.139 1.00 4.39 H new ATOM 0 HB THR P 27 -17.239 -0.638 -8.743 1.00 4.70 H new ATOM 0 HG1 THR P 27 -18.917 -0.715 -7.123 1.00 3.94 H new ATOM 0 HG21 THR P 27 -18.704 -2.618 -8.520 1.00 5.45 H new ATOM 0 HG22 THR P 27 -17.056 -3.068 -9.020 1.00 5.45 H new ATOM 0 HG23 THR P 27 -17.573 -3.314 -7.335 1.00 5.45 H new ATOM 1405 N ARG P 28 -14.610 0.638 -8.462 1.00 4.54 N ATOM 1406 CA ARG P 28 -14.025 1.967 -8.590 1.00 4.44 C ATOM 1407 C ARG P 28 -14.822 2.997 -7.798 1.00 4.34 C ATOM 1408 O ARG P 28 -14.329 3.620 -6.855 1.00 4.24 O ATOM 1409 CB ARG P 28 -13.978 2.361 -10.082 1.00 4.55 C ATOM 1410 CG ARG P 28 -13.603 3.839 -10.284 1.00 4.20 C ATOM 1411 CD ARG P 28 -13.268 4.168 -11.747 1.00 4.61 C ATOM 1412 NE ARG P 28 -12.247 5.228 -11.827 1.00 5.03 N ATOM 1413 CZ ARG P 28 -12.054 6.082 -12.844 1.00 5.37 C ATOM 1414 NH1 ARG P 28 -12.841 6.058 -13.918 1.00 5.66 N ATOM 1415 NH2 ARG P 28 -11.042 6.946 -12.759 1.00 5.85 N ATOM 0 H ARG P 28 -14.594 0.110 -9.335 1.00 4.54 H new ATOM 0 HA ARG P 28 -13.014 1.945 -8.184 1.00 4.44 H new ATOM 0 HB2 ARG P 28 -13.254 1.731 -10.599 1.00 4.55 H new ATOM 0 HB3 ARG P 28 -14.950 2.170 -10.537 1.00 4.55 H new ATOM 0 HG2 ARG P 28 -14.430 4.468 -9.954 1.00 4.20 H new ATOM 0 HG3 ARG P 28 -12.746 4.082 -9.655 1.00 4.20 H new ATOM 0 HD2 ARG P 28 -12.908 3.272 -12.252 1.00 4.61 H new ATOM 0 HD3 ARG P 28 -14.171 4.487 -12.268 1.00 4.61 H new ATOM 0 HE ARG P 28 -11.622 5.322 -11.026 1.00 5.03 H new ATOM 0 HH11 ARG P 28 -13.604 5.384 -13.976 1.00 5.66 H new ATOM 0 HH12 ARG P 28 -12.681 6.714 -14.682 1.00 5.66 H new ATOM 0 HH21 ARG P 28 -10.439 6.946 -11.936 1.00 5.85 H new ATOM 0 HH22 ARG P 28 -10.871 7.607 -13.517 1.00 5.85 H new ATOM 1429 N ARG P 29 -16.065 3.202 -8.219 1.00 4.66 N ATOM 1430 CA ARG P 29 -16.843 4.320 -7.751 1.00 4.79 C ATOM 1431 C ARG P 29 -17.118 4.186 -6.264 1.00 4.56 C ATOM 1432 O ARG P 29 -16.987 5.176 -5.560 1.00 4.62 O ATOM 1433 CB ARG P 29 -18.100 4.474 -8.596 1.00 5.28 C ATOM 1434 CG ARG P 29 -18.761 5.845 -8.428 1.00 5.19 C ATOM 1435 CD ARG P 29 -19.859 6.031 -9.481 1.00 5.70 C ATOM 1436 NE ARG P 29 -20.935 5.039 -9.326 1.00 6.27 N ATOM 1437 CZ ARG P 29 -21.032 3.845 -9.935 1.00 7.71 C ATOM 1438 NH1 ARG P 29 -20.128 3.434 -10.817 1.00 9.02 N ATOM 1439 NH2 ARG P 29 -22.058 3.043 -9.667 1.00 8.33 N ATOM 0 H ARG P 29 -16.548 2.600 -8.886 1.00 4.66 H new ATOM 0 HA ARG P 29 -16.278 5.244 -7.871 1.00 4.79 H new ATOM 0 HB2 ARG P 29 -17.848 4.323 -9.646 1.00 5.28 H new ATOM 0 HB3 ARG P 29 -18.813 3.696 -8.324 1.00 5.28 H new ATOM 0 HG2 ARG P 29 -19.186 5.933 -7.428 1.00 5.19 H new ATOM 0 HG3 ARG P 29 -18.014 6.633 -8.527 1.00 5.19 H new ATOM 0 HD2 ARG P 29 -20.275 7.035 -9.399 1.00 5.70 H new ATOM 0 HD3 ARG P 29 -19.426 5.945 -10.478 1.00 5.70 H new ATOM 0 HE ARG P 29 -21.690 5.285 -8.686 1.00 6.27 H new ATOM 0 HH11 ARG P 29 -19.333 4.030 -11.048 1.00 9.02 H new ATOM 0 HH12 ARG P 29 -20.228 2.522 -11.263 1.00 9.02 H new ATOM 0 HH21 ARG P 29 -22.772 3.334 -8.999 1.00 8.33 H new ATOM 0 HH22 ARG P 29 -22.131 2.137 -10.129 1.00 8.33 H new ATOM 1453 N ARG P 30 -17.435 2.995 -5.748 1.00 4.53 N ATOM 1454 CA ARG P 30 -17.540 2.811 -4.300 1.00 4.40 C ATOM 1455 C ARG P 30 -16.277 3.334 -3.615 1.00 3.98 C ATOM 1456 O ARG P 30 -16.345 4.130 -2.682 1.00 3.92 O ATOM 1457 CB ARG P 30 -17.724 1.328 -3.942 1.00 4.54 C ATOM 1458 CG ARG P 30 -19.178 0.856 -4.059 1.00 5.86 C ATOM 1459 CD ARG P 30 -20.133 1.503 -3.041 1.00 5.83 C ATOM 1460 NE ARG P 30 -19.577 1.635 -1.680 1.00 5.66 N ATOM 1461 CZ ARG P 30 -19.079 0.657 -0.906 1.00 6.40 C ATOM 1462 NH1 ARG P 30 -19.218 -0.619 -1.246 1.00 7.82 N ATOM 1463 NH2 ARG P 30 -18.408 0.990 0.192 1.00 6.26 N ATOM 0 H ARG P 30 -17.620 2.158 -6.301 1.00 4.53 H new ATOM 0 HA ARG P 30 -18.411 3.368 -3.955 1.00 4.40 H new ATOM 0 HB2 ARG P 30 -17.098 0.722 -4.597 1.00 4.54 H new ATOM 0 HB3 ARG P 30 -17.375 1.161 -2.923 1.00 4.54 H new ATOM 0 HG2 ARG P 30 -19.538 1.070 -5.065 1.00 5.86 H new ATOM 0 HG3 ARG P 30 -19.209 -0.226 -3.933 1.00 5.86 H new ATOM 0 HD2 ARG P 30 -20.414 2.492 -3.403 1.00 5.83 H new ATOM 0 HD3 ARG P 30 -21.047 0.911 -2.991 1.00 5.83 H new ATOM 0 HE ARG P 30 -19.570 2.574 -1.283 1.00 5.66 H new ATOM 0 HH11 ARG P 30 -19.708 -0.867 -2.105 1.00 7.82 H new ATOM 0 HH12 ARG P 30 -18.834 -1.351 -0.648 1.00 7.82 H new ATOM 0 HH21 ARG P 30 -18.280 1.973 0.433 1.00 6.26 H new ATOM 0 HH22 ARG P 30 -18.022 0.263 0.794 1.00 6.26 H new ATOM 1477 N ARG P 31 -15.114 2.892 -4.079 1.00 3.74 N ATOM 1478 CA ARG P 31 -13.848 3.263 -3.478 1.00 3.37 C ATOM 1479 C ARG P 31 -13.586 4.778 -3.606 1.00 3.55 C ATOM 1480 O ARG P 31 -12.883 5.357 -2.773 1.00 3.54 O ATOM 1481 CB ARG P 31 -12.759 2.329 -4.046 1.00 3.29 C ATOM 1482 CG ARG P 31 -11.684 1.892 -3.031 1.00 2.76 C ATOM 1483 CD ARG P 31 -10.356 2.651 -3.080 1.00 2.21 C ATOM 1484 NE ARG P 31 -10.560 4.056 -3.432 1.00 2.76 N ATOM 1485 CZ ARG P 31 -10.436 4.570 -4.665 1.00 4.11 C ATOM 1486 NH1 ARG P 31 -10.111 3.800 -5.703 1.00 4.75 N ATOM 1487 NH2 ARG P 31 -10.664 5.872 -4.840 1.00 5.51 N ATOM 0 H ARG P 31 -15.027 2.268 -4.881 1.00 3.74 H new ATOM 0 HA ARG P 31 -13.851 3.112 -2.398 1.00 3.37 H new ATOM 0 HB2 ARG P 31 -13.240 1.438 -4.450 1.00 3.29 H new ATOM 0 HB3 ARG P 31 -12.268 2.832 -4.879 1.00 3.29 H new ATOM 0 HG2 ARG P 31 -12.099 1.993 -2.028 1.00 2.76 H new ATOM 0 HG3 ARG P 31 -11.478 0.833 -3.185 1.00 2.76 H new ATOM 0 HD2 ARG P 31 -9.861 2.585 -2.111 1.00 2.21 H new ATOM 0 HD3 ARG P 31 -9.694 2.184 -3.809 1.00 2.21 H new ATOM 0 HE ARG P 31 -10.817 4.696 -2.680 1.00 2.76 H new ATOM 0 HH11 ARG P 31 -9.952 2.802 -5.567 1.00 4.75 H new ATOM 0 HH12 ARG P 31 -10.021 4.209 -6.633 1.00 4.75 H new ATOM 0 HH21 ARG P 31 -10.927 6.455 -4.045 1.00 5.51 H new ATOM 0 HH22 ARG P 31 -10.576 6.285 -5.768 1.00 5.51 H new ATOM 1501 N ILE P 32 -14.143 5.445 -4.620 1.00 3.73 N ATOM 1502 CA ILE P 32 -14.182 6.906 -4.690 1.00 3.80 C ATOM 1503 C ILE P 32 -15.131 7.467 -3.615 1.00 3.88 C ATOM 1504 O ILE P 32 -14.729 8.330 -2.836 1.00 3.78 O ATOM 1505 CB ILE P 32 -14.497 7.386 -6.127 1.00 4.12 C ATOM 1506 CG1 ILE P 32 -13.352 6.969 -7.074 1.00 4.13 C ATOM 1507 CG2 ILE P 32 -14.699 8.908 -6.185 1.00 4.30 C ATOM 1508 CD1 ILE P 32 -13.601 7.332 -8.542 1.00 4.37 C ATOM 0 H ILE P 32 -14.581 4.984 -5.418 1.00 3.73 H new ATOM 0 HA ILE P 32 -13.195 7.309 -4.463 1.00 3.80 H new ATOM 0 HB ILE P 32 -15.428 6.917 -6.444 1.00 4.12 H new ATOM 0 HG12 ILE P 32 -12.428 7.444 -6.743 1.00 4.13 H new ATOM 0 HG13 ILE P 32 -13.202 5.892 -6.996 1.00 4.13 H new ATOM 0 HG21 ILE P 32 -14.918 9.207 -7.210 1.00 4.30 H new ATOM 0 HG22 ILE P 32 -15.531 9.190 -5.539 1.00 4.30 H new ATOM 0 HG23 ILE P 32 -13.792 9.409 -5.847 1.00 4.30 H new ATOM 0 HD11 ILE P 32 -12.754 7.008 -9.146 1.00 4.37 H new ATOM 0 HD12 ILE P 32 -14.506 6.836 -8.891 1.00 4.37 H new ATOM 0 HD13 ILE P 32 -13.720 8.411 -8.635 1.00 4.37 H new ATOM 1520 N GLU P 33 -16.377 6.991 -3.549 1.00 4.08 N ATOM 1521 CA GLU P 33 -17.370 7.447 -2.590 1.00 4.21 C ATOM 1522 C GLU P 33 -16.794 7.419 -1.174 1.00 4.04 C ATOM 1523 O GLU P 33 -16.894 8.422 -0.478 1.00 4.12 O ATOM 1524 CB GLU P 33 -18.665 6.624 -2.700 1.00 4.39 C ATOM 1525 CG GLU P 33 -19.403 6.890 -4.026 1.00 4.46 C ATOM 1526 CD GLU P 33 -20.750 6.205 -4.073 1.00 4.81 C ATOM 1527 OE1 GLU P 33 -21.473 6.287 -3.060 1.00 4.26 O ATOM 1528 OE2 GLU P 33 -21.087 5.624 -5.131 1.00 6.14 O ATOM 0 H GLU P 33 -16.724 6.264 -4.175 1.00 4.08 H new ATOM 0 HA GLU P 33 -17.630 8.480 -2.822 1.00 4.21 H new ATOM 0 HB2 GLU P 33 -18.429 5.563 -2.623 1.00 4.39 H new ATOM 0 HB3 GLU P 33 -19.321 6.866 -1.864 1.00 4.39 H new ATOM 0 HG2 GLU P 33 -19.538 7.964 -4.157 1.00 4.46 H new ATOM 0 HG3 GLU P 33 -18.790 6.542 -4.858 1.00 4.46 H new ATOM 1535 N ILE P 34 -16.180 6.301 -0.773 1.00 3.84 N ATOM 1536 CA ILE P 34 -15.520 6.159 0.529 1.00 3.64 C ATOM 1537 C ILE P 34 -14.644 7.396 0.779 1.00 3.41 C ATOM 1538 O ILE P 34 -14.721 8.053 1.813 1.00 3.46 O ATOM 1539 CB ILE P 34 -14.632 4.890 0.496 1.00 3.49 C ATOM 1540 CG1 ILE P 34 -15.450 3.592 0.393 1.00 3.85 C ATOM 1541 CG2 ILE P 34 -13.724 4.814 1.734 1.00 3.19 C ATOM 1542 CD1 ILE P 34 -15.940 3.096 1.750 1.00 3.47 C ATOM 0 H ILE P 34 -16.127 5.461 -1.349 1.00 3.84 H new ATOM 0 HA ILE P 34 -16.259 6.071 1.325 1.00 3.64 H new ATOM 0 HB ILE P 34 -14.023 4.978 -0.404 1.00 3.49 H new ATOM 0 HG12 ILE P 34 -16.307 3.758 -0.260 1.00 3.85 H new ATOM 0 HG13 ILE P 34 -14.840 2.819 -0.073 1.00 3.85 H new ATOM 0 HG21 ILE P 34 -13.113 3.913 1.682 1.00 3.19 H new ATOM 0 HG22 ILE P 34 -13.076 5.690 1.765 1.00 3.19 H new ATOM 0 HG23 ILE P 34 -14.338 4.785 2.634 1.00 3.19 H new ATOM 0 HD11 ILE P 34 -16.511 2.177 1.617 1.00 3.47 H new ATOM 0 HD12 ILE P 34 -15.085 2.901 2.397 1.00 3.47 H new ATOM 0 HD13 ILE P 34 -16.575 3.855 2.207 1.00 3.47 H new ATOM 1554 N ALA P 35 -13.768 7.686 -0.181 1.00 3.20 N ATOM 1555 CA ALA P 35 -12.822 8.794 -0.081 1.00 2.97 C ATOM 1556 C ALA P 35 -13.514 10.125 0.225 1.00 3.21 C ATOM 1557 O ALA P 35 -13.023 10.888 1.059 1.00 3.20 O ATOM 1558 CB ALA P 35 -11.975 8.901 -1.353 1.00 2.79 C ATOM 0 H ALA P 35 -13.695 7.158 -1.051 1.00 3.20 H new ATOM 0 HA ALA P 35 -12.164 8.577 0.760 1.00 2.97 H new ATOM 0 HB1 ALA P 35 -11.277 9.733 -1.257 1.00 2.79 H new ATOM 0 HB2 ALA P 35 -11.418 7.975 -1.498 1.00 2.79 H new ATOM 0 HB3 ALA P 35 -12.626 9.071 -2.210 1.00 2.79 H new ATOM 1564 N HIS P 36 -14.620 10.425 -0.463 1.00 3.46 N ATOM 1565 CA HIS P 36 -15.373 11.638 -0.166 1.00 3.67 C ATOM 1566 C HIS P 36 -16.010 11.546 1.223 1.00 3.83 C ATOM 1567 O HIS P 36 -15.833 12.431 2.055 1.00 3.82 O ATOM 1568 CB HIS P 36 -16.410 11.958 -1.245 1.00 3.89 C ATOM 1569 CG HIS P 36 -15.792 12.451 -2.530 1.00 3.90 C ATOM 1570 ND1 HIS P 36 -15.468 13.753 -2.850 1.00 3.94 N ATOM 1571 CD2 HIS P 36 -15.471 11.672 -3.605 1.00 4.07 C ATOM 1572 CE1 HIS P 36 -14.974 13.745 -4.101 1.00 4.07 C ATOM 1573 NE2 HIS P 36 -14.960 12.499 -4.612 1.00 4.13 N ATOM 0 H HIS P 36 -15.005 9.854 -1.215 1.00 3.46 H new ATOM 0 HA HIS P 36 -14.669 12.470 -0.164 1.00 3.67 H new ATOM 0 HB2 HIS P 36 -16.999 11.064 -1.451 1.00 3.89 H new ATOM 0 HB3 HIS P 36 -17.099 12.713 -0.866 1.00 3.89 H new ATOM 0 HD2 HIS P 36 -15.591 10.601 -3.667 1.00 4.07 H new ATOM 0 HE1 HIS P 36 -14.633 14.624 -4.628 1.00 4.07 H new ATOM 0 HE2 HIS P 36 -14.643 12.217 -5.540 1.00 4.13 H new ATOM 1581 N ALA P 37 -16.742 10.463 1.482 1.00 4.02 N ATOM 1582 CA ALA P 37 -17.457 10.228 2.731 1.00 4.23 C ATOM 1583 C ALA P 37 -16.551 10.490 3.932 1.00 4.11 C ATOM 1584 O ALA P 37 -16.898 11.256 4.829 1.00 4.27 O ATOM 1585 CB ALA P 37 -18.000 8.794 2.756 1.00 4.35 C ATOM 0 H ALA P 37 -16.856 9.705 0.809 1.00 4.02 H new ATOM 0 HA ALA P 37 -18.296 10.921 2.793 1.00 4.23 H new ATOM 0 HB1 ALA P 37 -18.533 8.623 3.691 1.00 4.35 H new ATOM 0 HB2 ALA P 37 -18.681 8.648 1.918 1.00 4.35 H new ATOM 0 HB3 ALA P 37 -17.172 8.090 2.677 1.00 4.35 H new ATOM 1591 N LEU P 38 -15.376 9.870 3.934 1.00 3.85 N ATOM 1592 CA LEU P 38 -14.404 10.003 5.005 1.00 3.74 C ATOM 1593 C LEU P 38 -13.590 11.295 4.882 1.00 3.56 C ATOM 1594 O LEU P 38 -12.889 11.660 5.824 1.00 3.53 O ATOM 1595 CB LEU P 38 -13.505 8.761 5.013 1.00 3.57 C ATOM 1596 CG LEU P 38 -14.310 7.454 5.134 1.00 3.89 C ATOM 1597 CD1 LEU P 38 -13.332 6.288 5.257 1.00 3.66 C ATOM 1598 CD2 LEU P 38 -15.259 7.441 6.338 1.00 4.35 C ATOM 0 H LEU P 38 -15.071 9.254 3.181 1.00 3.85 H new ATOM 0 HA LEU P 38 -14.930 10.071 5.957 1.00 3.74 H new ATOM 0 HB2 LEU P 38 -12.915 8.737 4.097 1.00 3.57 H new ATOM 0 HB3 LEU P 38 -12.802 8.830 5.843 1.00 3.57 H new ATOM 0 HG LEU P 38 -14.928 7.367 4.240 1.00 3.89 H new ATOM 0 HD11 LEU P 38 -13.888 5.354 5.344 1.00 3.66 H new ATOM 0 HD12 LEU P 38 -12.697 6.251 4.372 1.00 3.66 H new ATOM 0 HD13 LEU P 38 -12.712 6.425 6.143 1.00 3.66 H new ATOM 0 HD21 LEU P 38 -15.797 6.493 6.367 1.00 4.35 H new ATOM 0 HD22 LEU P 38 -14.684 7.560 7.256 1.00 4.35 H new ATOM 0 HD23 LEU P 38 -15.972 8.260 6.248 1.00 4.35 H new ATOM 1610 N SER P 39 -13.679 11.986 3.745 1.00 3.46 N ATOM 1611 CA SER P 39 -12.980 13.233 3.483 1.00 3.27 C ATOM 1612 C SER P 39 -11.477 13.023 3.664 1.00 2.85 C ATOM 1613 O SER P 39 -10.830 13.662 4.495 1.00 2.76 O ATOM 1614 CB SER P 39 -13.577 14.357 4.340 1.00 3.61 C ATOM 1615 OG SER P 39 -14.978 14.422 4.103 1.00 4.11 O ATOM 0 H SER P 39 -14.257 11.680 2.962 1.00 3.46 H new ATOM 0 HA SER P 39 -13.117 13.550 2.449 1.00 3.27 H new ATOM 0 HB2 SER P 39 -13.382 14.170 5.396 1.00 3.61 H new ATOM 0 HB3 SER P 39 -13.108 15.309 4.093 1.00 3.61 H new ATOM 0 HG SER P 39 -15.214 13.815 3.370 1.00 4.11 H new ATOM 1621 N LEU P 40 -10.950 12.080 2.884 1.00 2.69 N ATOM 1622 CA LEU P 40 -9.543 11.734 2.790 1.00 2.27 C ATOM 1623 C LEU P 40 -9.211 11.637 1.302 1.00 2.10 C ATOM 1624 O LEU P 40 -10.117 11.650 0.462 1.00 2.51 O ATOM 1625 CB LEU P 40 -9.295 10.389 3.492 1.00 2.10 C ATOM 1626 CG LEU P 40 -9.470 10.444 5.018 1.00 2.31 C ATOM 1627 CD1 LEU P 40 -9.590 9.023 5.580 1.00 2.36 C ATOM 1628 CD2 LEU P 40 -8.285 11.147 5.691 1.00 2.29 C ATOM 0 H LEU P 40 -11.530 11.509 2.269 1.00 2.69 H new ATOM 0 HA LEU P 40 -8.913 12.481 3.273 1.00 2.27 H new ATOM 0 HB2 LEU P 40 -9.979 9.645 3.084 1.00 2.10 H new ATOM 0 HB3 LEU P 40 -8.284 10.052 3.264 1.00 2.10 H new ATOM 0 HG LEU P 40 -10.377 11.010 5.228 1.00 2.31 H new ATOM 0 HD11 LEU P 40 -9.714 9.069 6.662 1.00 2.36 H new ATOM 0 HD12 LEU P 40 -10.454 8.528 5.137 1.00 2.36 H new ATOM 0 HD13 LEU P 40 -8.688 8.460 5.342 1.00 2.36 H new ATOM 0 HD21 LEU P 40 -8.440 11.169 6.770 1.00 2.29 H new ATOM 0 HD22 LEU P 40 -7.366 10.605 5.467 1.00 2.29 H new ATOM 0 HD23 LEU P 40 -8.206 12.167 5.315 1.00 2.29 H new ATOM 1640 N THR P 41 -7.928 11.547 0.954 1.00 1.68 N ATOM 1641 CA THR P 41 -7.548 11.369 -0.441 1.00 1.63 C ATOM 1642 C THR P 41 -8.026 9.995 -0.923 1.00 1.52 C ATOM 1643 O THR P 41 -8.212 9.071 -0.126 1.00 1.41 O ATOM 1644 CB THR P 41 -6.031 11.515 -0.623 1.00 1.54 C ATOM 1645 OG1 THR P 41 -5.370 10.519 0.124 1.00 1.58 O ATOM 1646 CG2 THR P 41 -5.533 12.898 -0.189 1.00 1.91 C ATOM 0 H THR P 41 -7.147 11.594 1.609 1.00 1.68 H new ATOM 0 HA THR P 41 -8.023 12.145 -1.041 1.00 1.63 H new ATOM 0 HB THR P 41 -5.809 11.400 -1.684 1.00 1.54 H new ATOM 0 HG1 THR P 41 -4.401 10.611 0.007 1.00 1.58 H new ATOM 0 HG21 THR P 41 -4.454 12.958 -0.334 1.00 1.91 H new ATOM 0 HG22 THR P 41 -6.023 13.666 -0.788 1.00 1.91 H new ATOM 0 HG23 THR P 41 -5.766 13.055 0.864 1.00 1.91 H new ATOM 1654 N GLU P 42 -8.181 9.834 -2.236 1.00 1.70 N ATOM 1655 CA GLU P 42 -8.435 8.544 -2.850 1.00 1.72 C ATOM 1656 C GLU P 42 -7.347 7.556 -2.417 1.00 1.28 C ATOM 1657 O GLU P 42 -7.646 6.412 -2.067 1.00 1.19 O ATOM 1658 CB GLU P 42 -8.458 8.709 -4.373 1.00 2.14 C ATOM 1659 CG GLU P 42 -9.602 9.609 -4.869 1.00 2.50 C ATOM 1660 CD GLU P 42 -9.227 10.283 -6.173 1.00 3.23 C ATOM 1661 OE1 GLU P 42 -9.421 9.646 -7.238 1.00 3.70 O ATOM 1662 OE2 GLU P 42 -8.724 11.424 -6.114 1.00 4.09 O ATOM 0 H GLU P 42 -8.132 10.604 -2.903 1.00 1.70 H new ATOM 0 HA GLU P 42 -9.401 8.153 -2.530 1.00 1.72 H new ATOM 0 HB2 GLU P 42 -7.507 9.128 -4.701 1.00 2.14 H new ATOM 0 HB3 GLU P 42 -8.550 7.727 -4.837 1.00 2.14 H new ATOM 0 HG2 GLU P 42 -10.505 9.014 -5.008 1.00 2.50 H new ATOM 0 HG3 GLU P 42 -9.830 10.364 -4.116 1.00 2.50 H new ATOM 1669 N ARG P 43 -6.085 7.991 -2.448 1.00 1.12 N ATOM 1670 CA ARG P 43 -4.972 7.155 -2.039 1.00 0.91 C ATOM 1671 C ARG P 43 -5.165 6.637 -0.619 1.00 0.62 C ATOM 1672 O ARG P 43 -5.089 5.433 -0.403 1.00 0.51 O ATOM 1673 CB ARG P 43 -3.625 7.876 -2.161 1.00 1.14 C ATOM 1674 CG ARG P 43 -2.514 6.842 -1.909 1.00 1.33 C ATOM 1675 CD ARG P 43 -1.141 7.460 -1.704 1.00 1.59 C ATOM 1676 NE ARG P 43 -1.139 8.391 -0.559 1.00 2.13 N ATOM 1677 CZ ARG P 43 -0.928 9.713 -0.659 1.00 2.07 C ATOM 1678 NH1 ARG P 43 -0.456 10.231 -1.791 1.00 2.30 N ATOM 1679 NH2 ARG P 43 -1.186 10.532 0.359 1.00 3.13 N ATOM 0 H ARG P 43 -5.815 8.925 -2.756 1.00 1.12 H new ATOM 0 HA ARG P 43 -4.954 6.307 -2.723 1.00 0.91 H new ATOM 0 HB2 ARG P 43 -3.517 8.319 -3.151 1.00 1.14 H new ATOM 0 HB3 ARG P 43 -3.560 8.690 -1.439 1.00 1.14 H new ATOM 0 HG2 ARG P 43 -2.772 6.251 -1.030 1.00 1.33 H new ATOM 0 HG3 ARG P 43 -2.471 6.154 -2.754 1.00 1.33 H new ATOM 0 HD2 ARG P 43 -0.406 6.672 -1.537 1.00 1.59 H new ATOM 0 HD3 ARG P 43 -0.840 7.990 -2.607 1.00 1.59 H new ATOM 0 HE ARG P 43 -1.309 8.005 0.370 1.00 2.13 H new ATOM 0 HH11 ARG P 43 -0.254 9.623 -2.585 1.00 2.30 H new ATOM 0 HH12 ARG P 43 -0.297 11.236 -1.865 1.00 2.30 H new ATOM 0 HH21 ARG P 43 -1.551 10.158 1.235 1.00 3.13 H new ATOM 0 HH22 ARG P 43 -1.019 11.534 0.263 1.00 3.13 H new ATOM 1693 N GLN P 44 -5.345 7.523 0.356 1.00 0.68 N ATOM 1694 CA GLN P 44 -5.349 7.121 1.759 1.00 0.69 C ATOM 1695 C GLN P 44 -6.311 5.950 1.991 1.00 0.69 C ATOM 1696 O GLN P 44 -5.957 4.976 2.653 1.00 0.68 O ATOM 1697 CB GLN P 44 -5.620 8.356 2.632 1.00 0.94 C ATOM 1698 CG GLN P 44 -4.293 9.117 2.802 1.00 1.18 C ATOM 1699 CD GLN P 44 -4.394 10.625 2.966 1.00 1.72 C ATOM 1700 OE1 GLN P 44 -5.478 11.203 2.890 1.00 2.32 O ATOM 1701 NE2 GLN P 44 -3.249 11.278 3.125 1.00 2.11 N ATOM 0 H GLN P 44 -5.490 8.521 0.201 1.00 0.68 H new ATOM 0 HA GLN P 44 -4.373 6.737 2.054 1.00 0.69 H new ATOM 0 HB2 GLN P 44 -6.369 8.996 2.166 1.00 0.94 H new ATOM 0 HB3 GLN P 44 -6.015 8.057 3.603 1.00 0.94 H new ATOM 0 HG2 GLN P 44 -3.777 8.713 3.673 1.00 1.18 H new ATOM 0 HG3 GLN P 44 -3.666 8.909 1.935 1.00 1.18 H new ATOM 0 HE21 GLN P 44 -2.371 10.762 3.184 1.00 2.11 H new ATOM 0 HE22 GLN P 44 -3.247 12.296 3.189 1.00 2.11 H new ATOM 1710 N ILE P 45 -7.482 5.976 1.349 1.00 0.87 N ATOM 1711 CA ILE P 45 -8.379 4.828 1.378 1.00 1.04 C ATOM 1712 C ILE P 45 -7.671 3.568 0.874 1.00 0.88 C ATOM 1713 O ILE P 45 -7.656 2.552 1.566 1.00 0.99 O ATOM 1714 CB ILE P 45 -9.648 5.075 0.549 1.00 1.57 C ATOM 1715 CG1 ILE P 45 -10.354 6.395 0.895 1.00 2.00 C ATOM 1716 CG2 ILE P 45 -10.596 3.880 0.725 1.00 1.73 C ATOM 1717 CD1 ILE P 45 -10.538 6.626 2.398 1.00 2.09 C ATOM 0 H ILE P 45 -7.824 6.771 0.810 1.00 0.87 H new ATOM 0 HA ILE P 45 -8.673 4.681 2.417 1.00 1.04 H new ATOM 0 HB ILE P 45 -9.350 5.170 -0.495 1.00 1.57 H new ATOM 0 HG12 ILE P 45 -9.780 7.223 0.478 1.00 2.00 H new ATOM 0 HG13 ILE P 45 -11.331 6.410 0.413 1.00 2.00 H new ATOM 0 HG21 ILE P 45 -11.501 4.044 0.140 1.00 1.73 H new ATOM 0 HG22 ILE P 45 -10.103 2.971 0.382 1.00 1.73 H new ATOM 0 HG23 ILE P 45 -10.858 3.775 1.778 1.00 1.73 H new ATOM 0 HD11 ILE P 45 -11.043 7.578 2.561 1.00 2.09 H new ATOM 0 HD12 ILE P 45 -11.138 5.820 2.819 1.00 2.09 H new ATOM 0 HD13 ILE P 45 -9.563 6.645 2.885 1.00 2.09 H new ATOM 1729 N LYS P 46 -7.122 3.618 -0.349 1.00 0.89 N ATOM 1730 CA LYS P 46 -6.405 2.495 -0.940 1.00 0.94 C ATOM 1731 C LYS P 46 -5.444 1.914 0.092 1.00 0.71 C ATOM 1732 O LYS P 46 -5.518 0.728 0.403 1.00 0.72 O ATOM 1733 CB LYS P 46 -5.596 2.909 -2.181 1.00 1.29 C ATOM 1734 CG LYS P 46 -6.417 3.358 -3.390 1.00 1.28 C ATOM 1735 CD LYS P 46 -5.433 3.808 -4.481 1.00 1.67 C ATOM 1736 CE LYS P 46 -6.139 4.122 -5.804 1.00 2.19 C ATOM 1737 NZ LYS P 46 -5.367 5.068 -6.634 1.00 3.15 N ATOM 0 H LYS P 46 -7.167 4.441 -0.950 1.00 0.89 H new ATOM 0 HA LYS P 46 -7.147 1.759 -1.248 1.00 0.94 H new ATOM 0 HB2 LYS P 46 -4.924 3.720 -1.900 1.00 1.29 H new ATOM 0 HB3 LYS P 46 -4.971 2.068 -2.482 1.00 1.29 H new ATOM 0 HG2 LYS P 46 -7.043 2.542 -3.752 1.00 1.28 H new ATOM 0 HG3 LYS P 46 -7.085 4.175 -3.117 1.00 1.28 H new ATOM 0 HD2 LYS P 46 -4.895 4.692 -4.140 1.00 1.67 H new ATOM 0 HD3 LYS P 46 -4.691 3.026 -4.644 1.00 1.67 H new ATOM 0 HE2 LYS P 46 -6.296 3.197 -6.359 1.00 2.19 H new ATOM 0 HE3 LYS P 46 -7.124 4.541 -5.598 1.00 2.19 H new ATOM 0 HZ1 LYS P 46 -5.881 5.253 -7.519 1.00 3.15 H new ATOM 0 HZ2 LYS P 46 -5.239 5.960 -6.115 1.00 3.15 H new ATOM 0 HZ3 LYS P 46 -4.436 4.658 -6.853 1.00 3.15 H new ATOM 1751 N ILE P 47 -4.574 2.754 0.656 1.00 0.65 N ATOM 1752 CA ILE P 47 -3.542 2.258 1.556 1.00 0.74 C ATOM 1753 C ILE P 47 -4.170 1.614 2.778 1.00 0.66 C ATOM 1754 O ILE P 47 -3.724 0.560 3.217 1.00 0.85 O ATOM 1755 CB ILE P 47 -2.497 3.310 1.943 1.00 0.95 C ATOM 1756 CG1 ILE P 47 -1.993 4.067 0.711 1.00 1.02 C ATOM 1757 CG2 ILE P 47 -1.322 2.604 2.634 1.00 1.02 C ATOM 1758 CD1 ILE P 47 -1.567 3.152 -0.442 1.00 0.99 C ATOM 0 H ILE P 47 -4.565 3.763 0.507 1.00 0.65 H new ATOM 0 HA ILE P 47 -2.988 1.500 1.003 1.00 0.74 H new ATOM 0 HB ILE P 47 -2.955 4.034 2.617 1.00 0.95 H new ATOM 0 HG12 ILE P 47 -2.778 4.737 0.361 1.00 1.02 H new ATOM 0 HG13 ILE P 47 -1.147 4.691 1.000 1.00 1.02 H new ATOM 0 HG21 ILE P 47 -0.570 3.341 2.915 1.00 1.02 H new ATOM 0 HG22 ILE P 47 -1.680 2.091 3.527 1.00 1.02 H new ATOM 0 HG23 ILE P 47 -0.881 1.878 1.951 1.00 1.02 H new ATOM 0 HD11 ILE P 47 -1.222 3.758 -1.279 1.00 0.99 H new ATOM 0 HD12 ILE P 47 -0.760 2.500 -0.109 1.00 0.99 H new ATOM 0 HD13 ILE P 47 -2.416 2.546 -0.758 1.00 0.99 H new ATOM 1770 N TRP P 48 -5.220 2.218 3.329 1.00 0.59 N ATOM 1771 CA TRP P 48 -5.910 1.624 4.456 1.00 0.87 C ATOM 1772 C TRP P 48 -6.295 0.168 4.139 1.00 0.72 C ATOM 1773 O TRP P 48 -6.015 -0.745 4.918 1.00 0.95 O ATOM 1774 CB TRP P 48 -7.100 2.504 4.859 1.00 1.15 C ATOM 1775 CG TRP P 48 -7.541 2.297 6.270 1.00 1.46 C ATOM 1776 CD1 TRP P 48 -7.201 3.070 7.325 1.00 1.83 C ATOM 1777 CD2 TRP P 48 -8.254 1.157 6.822 1.00 1.42 C ATOM 1778 NE1 TRP P 48 -7.654 2.486 8.489 1.00 2.00 N ATOM 1779 CE2 TRP P 48 -8.277 1.281 8.242 1.00 1.74 C ATOM 1780 CE3 TRP P 48 -8.852 0.013 6.261 1.00 1.22 C ATOM 1781 CZ2 TRP P 48 -8.839 0.296 9.068 1.00 1.79 C ATOM 1782 CZ3 TRP P 48 -9.360 -1.005 7.084 1.00 1.31 C ATOM 1783 CH2 TRP P 48 -9.362 -0.864 8.482 1.00 1.57 C ATOM 0 H TRP P 48 -5.604 3.109 3.013 1.00 0.59 H new ATOM 0 HA TRP P 48 -5.250 1.579 5.322 1.00 0.87 H new ATOM 0 HB2 TRP P 48 -6.831 3.551 4.720 1.00 1.15 H new ATOM 0 HB3 TRP P 48 -7.937 2.299 4.191 1.00 1.15 H new ATOM 0 HD1 TRP P 48 -6.658 4.002 7.266 1.00 1.83 H new ATOM 0 HE1 TRP P 48 -7.542 2.894 9.417 1.00 2.00 H new ATOM 0 HE3 TRP P 48 -8.921 -0.083 5.187 1.00 1.22 H new ATOM 0 HZ2 TRP P 48 -8.868 0.430 10.139 1.00 1.79 H new ATOM 0 HZ3 TRP P 48 -9.754 -1.906 6.638 1.00 1.31 H new ATOM 0 HH2 TRP P 48 -9.766 -1.649 9.104 1.00 1.57 H new ATOM 1794 N PHE P 49 -6.892 -0.067 2.966 1.00 0.60 N ATOM 1795 CA PHE P 49 -7.270 -1.411 2.532 1.00 0.75 C ATOM 1796 C PHE P 49 -6.033 -2.276 2.293 1.00 0.53 C ATOM 1797 O PHE P 49 -5.875 -3.295 2.952 1.00 0.49 O ATOM 1798 CB PHE P 49 -8.181 -1.379 1.297 1.00 1.20 C ATOM 1799 CG PHE P 49 -9.635 -1.109 1.630 1.00 1.59 C ATOM 1800 CD1 PHE P 49 -10.479 -2.164 2.016 1.00 1.99 C ATOM 1801 CD2 PHE P 49 -10.142 0.197 1.596 1.00 1.89 C ATOM 1802 CE1 PHE P 49 -11.808 -1.908 2.395 1.00 2.38 C ATOM 1803 CE2 PHE P 49 -11.480 0.448 1.934 1.00 2.31 C ATOM 1804 CZ PHE P 49 -12.311 -0.599 2.352 1.00 2.46 C ATOM 0 H PHE P 49 -7.125 0.666 2.296 1.00 0.60 H new ATOM 0 HA PHE P 49 -7.846 -1.865 3.338 1.00 0.75 H new ATOM 0 HB2 PHE P 49 -7.824 -0.611 0.611 1.00 1.20 H new ATOM 0 HB3 PHE P 49 -8.106 -2.333 0.774 1.00 1.20 H new ATOM 0 HD1 PHE P 49 -10.105 -3.177 2.021 1.00 1.99 H new ATOM 0 HD2 PHE P 49 -9.499 1.015 1.308 1.00 1.89 H new ATOM 0 HE1 PHE P 49 -12.442 -2.720 2.720 1.00 2.38 H new ATOM 0 HE2 PHE P 49 -11.871 1.453 1.872 1.00 2.31 H new ATOM 0 HZ PHE P 49 -13.333 -0.400 2.639 1.00 2.46 H new ATOM 1814 N GLN P 50 -5.160 -1.877 1.364 1.00 0.68 N ATOM 1815 CA GLN P 50 -3.867 -2.493 1.056 1.00 0.99 C ATOM 1816 C GLN P 50 -3.194 -3.013 2.325 1.00 0.89 C ATOM 1817 O GLN P 50 -2.893 -4.196 2.428 1.00 1.01 O ATOM 1818 CB GLN P 50 -2.996 -1.418 0.379 1.00 1.34 C ATOM 1819 CG GLN P 50 -1.515 -1.751 0.109 1.00 2.01 C ATOM 1820 CD GLN P 50 -0.551 -0.814 0.841 1.00 3.94 C ATOM 1821 OE1 GLN P 50 -0.554 -0.775 2.069 1.00 5.35 O ATOM 1822 NE2 GLN P 50 0.260 -0.038 0.131 1.00 4.64 N ATOM 0 H GLN P 50 -5.348 -1.068 0.772 1.00 0.68 H new ATOM 0 HA GLN P 50 -4.003 -3.349 0.395 1.00 0.99 H new ATOM 0 HB2 GLN P 50 -3.460 -1.164 -0.574 1.00 1.34 H new ATOM 0 HB3 GLN P 50 -3.029 -0.522 0.999 1.00 1.34 H new ATOM 0 HG2 GLN P 50 -1.317 -2.778 0.414 1.00 2.01 H new ATOM 0 HG3 GLN P 50 -1.325 -1.695 -0.963 1.00 2.01 H new ATOM 0 HE21 GLN P 50 0.248 -0.085 -0.888 1.00 4.64 H new ATOM 0 HE22 GLN P 50 0.895 0.605 0.605 1.00 4.64 H new ATOM 1831 N ASN P 51 -2.979 -2.144 3.305 1.00 0.95 N ATOM 1832 CA ASN P 51 -2.198 -2.491 4.483 1.00 1.28 C ATOM 1833 C ASN P 51 -2.918 -3.571 5.296 1.00 1.16 C ATOM 1834 O ASN P 51 -2.316 -4.584 5.655 1.00 1.40 O ATOM 1835 CB ASN P 51 -1.820 -1.236 5.291 1.00 1.61 C ATOM 1836 CG ASN P 51 -2.578 -1.097 6.606 1.00 3.37 C ATOM 1837 OD1 ASN P 51 -3.676 -0.546 6.649 1.00 4.53 O ATOM 1838 ND2 ASN P 51 -2.008 -1.610 7.685 1.00 4.30 N ATOM 0 H ASN P 51 -3.337 -1.189 3.306 1.00 0.95 H new ATOM 0 HA ASN P 51 -1.247 -2.926 4.176 1.00 1.28 H new ATOM 0 HB2 ASN P 51 -0.750 -1.259 5.500 1.00 1.61 H new ATOM 0 HB3 ASN P 51 -2.007 -0.353 4.680 1.00 1.61 H new ATOM 0 HD21 ASN P 51 -2.481 -1.555 8.587 1.00 4.30 H new ATOM 0 HD22 ASN P 51 -1.096 -2.061 7.614 1.00 4.30 H new ATOM 1845 N ARG P 52 -4.212 -3.383 5.563 1.00 0.96 N ATOM 1846 CA ARG P 52 -5.008 -4.369 6.287 1.00 1.07 C ATOM 1847 C ARG P 52 -5.009 -5.701 5.521 1.00 0.86 C ATOM 1848 O ARG P 52 -4.914 -6.773 6.118 1.00 1.14 O ATOM 1849 CB ARG P 52 -6.426 -3.820 6.532 1.00 1.21 C ATOM 1850 CG ARG P 52 -6.877 -3.792 8.002 1.00 1.41 C ATOM 1851 CD ARG P 52 -5.976 -3.038 8.997 1.00 1.67 C ATOM 1852 NE ARG P 52 -5.586 -1.693 8.533 1.00 1.87 N ATOM 1853 CZ ARG P 52 -5.246 -0.659 9.326 1.00 2.27 C ATOM 1854 NH1 ARG P 52 -5.236 -0.780 10.651 1.00 2.74 N ATOM 1855 NH2 ARG P 52 -4.910 0.499 8.760 1.00 3.43 N ATOM 0 H ARG P 52 -4.731 -2.550 5.285 1.00 0.96 H new ATOM 0 HA ARG P 52 -4.568 -4.562 7.265 1.00 1.07 H new ATOM 0 HB2 ARG P 52 -6.479 -2.807 6.134 1.00 1.21 H new ATOM 0 HB3 ARG P 52 -7.134 -4.423 5.964 1.00 1.21 H new ATOM 0 HG2 ARG P 52 -7.872 -3.348 8.042 1.00 1.41 H new ATOM 0 HG3 ARG P 52 -6.974 -4.822 8.346 1.00 1.41 H new ATOM 0 HD2 ARG P 52 -6.496 -2.948 9.951 1.00 1.67 H new ATOM 0 HD3 ARG P 52 -5.077 -3.626 9.179 1.00 1.67 H new ATOM 0 HE ARG P 52 -5.573 -1.533 7.526 1.00 1.87 H new ATOM 0 HH11 ARG P 52 -5.489 -1.668 11.084 1.00 2.74 H new ATOM 0 HH12 ARG P 52 -4.975 0.015 11.234 1.00 2.74 H new ATOM 0 HH21 ARG P 52 -4.914 0.590 7.744 1.00 3.43 H new ATOM 0 HH22 ARG P 52 -4.649 1.295 9.343 1.00 3.43 H new ATOM 1869 N ARG P 53 -5.075 -5.644 4.189 1.00 0.60 N ATOM 1870 CA ARG P 53 -5.009 -6.809 3.319 1.00 0.84 C ATOM 1871 C ARG P 53 -3.682 -7.544 3.477 1.00 0.91 C ATOM 1872 O ARG P 53 -3.685 -8.731 3.773 1.00 1.11 O ATOM 1873 CB ARG P 53 -5.219 -6.428 1.845 1.00 1.18 C ATOM 1874 CG ARG P 53 -6.685 -6.506 1.419 1.00 1.44 C ATOM 1875 CD ARG P 53 -6.822 -6.591 -0.103 1.00 1.87 C ATOM 1876 NE ARG P 53 -6.318 -7.884 -0.618 1.00 2.37 N ATOM 1877 CZ ARG P 53 -7.065 -8.847 -1.193 1.00 3.12 C ATOM 1878 NH1 ARG P 53 -8.337 -8.612 -1.510 1.00 3.26 N ATOM 1879 NH2 ARG P 53 -6.529 -10.043 -1.449 1.00 4.75 N ATOM 0 H ARG P 53 -5.178 -4.766 3.680 1.00 0.60 H new ATOM 0 HA ARG P 53 -5.817 -7.474 3.622 1.00 0.84 H new ATOM 0 HB2 ARG P 53 -4.850 -5.416 1.679 1.00 1.18 H new ATOM 0 HB3 ARG P 53 -4.626 -7.091 1.215 1.00 1.18 H new ATOM 0 HG2 ARG P 53 -7.152 -7.378 1.877 1.00 1.44 H new ATOM 0 HG3 ARG P 53 -7.219 -5.629 1.785 1.00 1.44 H new ATOM 0 HD2 ARG P 53 -7.868 -6.469 -0.383 1.00 1.87 H new ATOM 0 HD3 ARG P 53 -6.270 -5.773 -0.566 1.00 1.87 H new ATOM 0 HE ARG P 53 -5.317 -8.062 -0.530 1.00 2.37 H new ATOM 0 HH11 ARG P 53 -8.750 -7.700 -1.318 1.00 3.26 H new ATOM 0 HH12 ARG P 53 -8.898 -9.344 -1.945 1.00 3.26 H new ATOM 0 HH21 ARG P 53 -5.555 -10.227 -1.209 1.00 4.75 H new ATOM 0 HH22 ARG P 53 -7.094 -10.772 -1.884 1.00 4.75 H new ATOM 1893 N MET P 54 -2.553 -6.874 3.249 1.00 0.89 N ATOM 1894 CA MET P 54 -1.241 -7.508 3.303 1.00 1.11 C ATOM 1895 C MET P 54 -1.091 -8.262 4.631 1.00 1.18 C ATOM 1896 O MET P 54 -0.818 -9.465 4.633 1.00 1.45 O ATOM 1897 CB MET P 54 -0.127 -6.478 3.058 1.00 1.28 C ATOM 1898 CG MET P 54 -0.019 -5.927 1.626 1.00 1.46 C ATOM 1899 SD MET P 54 0.060 -7.112 0.256 1.00 2.21 S ATOM 1900 CE MET P 54 -1.674 -7.165 -0.238 1.00 1.56 C ATOM 0 H MET P 54 -2.524 -5.880 3.023 1.00 0.89 H new ATOM 0 HA MET P 54 -1.149 -8.242 2.503 1.00 1.11 H new ATOM 0 HB2 MET P 54 -0.279 -5.640 3.738 1.00 1.28 H new ATOM 0 HB3 MET P 54 0.827 -6.934 3.323 1.00 1.28 H new ATOM 0 HG2 MET P 54 -0.876 -5.276 1.454 1.00 1.46 H new ATOM 0 HG3 MET P 54 0.872 -5.301 1.576 1.00 1.46 H new ATOM 0 HE1 MET P 54 -1.793 -7.853 -1.075 1.00 1.56 H new ATOM 0 HE2 MET P 54 -2.281 -7.505 0.601 1.00 1.56 H new ATOM 0 HE3 MET P 54 -1.997 -6.168 -0.539 1.00 1.56 H new ATOM 1910 N LYS P 55 -1.379 -7.585 5.747 1.00 1.12 N ATOM 1911 CA LYS P 55 -1.480 -8.201 7.070 1.00 1.44 C ATOM 1912 C LYS P 55 -2.344 -9.467 7.029 1.00 1.54 C ATOM 1913 O LYS P 55 -1.927 -10.551 7.431 1.00 1.91 O ATOM 1914 CB LYS P 55 -2.109 -7.192 8.044 1.00 1.88 C ATOM 1915 CG LYS P 55 -1.079 -6.213 8.605 1.00 2.03 C ATOM 1916 CD LYS P 55 -1.813 -5.018 9.236 1.00 3.52 C ATOM 1917 CE LYS P 55 -0.966 -4.156 10.189 1.00 4.13 C ATOM 1918 NZ LYS P 55 0.196 -3.490 9.561 1.00 4.09 N ATOM 0 H LYS P 55 -1.551 -6.580 5.755 1.00 1.12 H new ATOM 0 HA LYS P 55 -0.479 -8.480 7.399 1.00 1.44 H new ATOM 0 HB2 LYS P 55 -2.895 -6.636 7.532 1.00 1.88 H new ATOM 0 HB3 LYS P 55 -2.582 -7.729 8.866 1.00 1.88 H new ATOM 0 HG2 LYS P 55 -0.456 -6.708 9.350 1.00 2.03 H new ATOM 0 HG3 LYS P 55 -0.415 -5.870 7.812 1.00 2.03 H new ATOM 0 HD2 LYS P 55 -2.192 -4.382 8.436 1.00 3.52 H new ATOM 0 HD3 LYS P 55 -2.679 -5.392 9.783 1.00 3.52 H new ATOM 0 HE2 LYS P 55 -1.607 -3.394 10.632 1.00 4.13 H new ATOM 0 HE3 LYS P 55 -0.609 -4.786 11.004 1.00 4.13 H new ATOM 0 HZ1 LYS P 55 0.994 -3.483 10.228 1.00 4.09 H new ATOM 0 HZ2 LYS P 55 0.469 -4.006 8.700 1.00 4.09 H new ATOM 0 HZ3 LYS P 55 -0.057 -2.512 9.313 1.00 4.09 H new ATOM 1932 N TRP P 56 -3.580 -9.329 6.565 1.00 1.50 N ATOM 1933 CA TRP P 56 -4.577 -10.367 6.528 1.00 1.83 C ATOM 1934 C TRP P 56 -4.167 -11.419 5.498 1.00 2.15 C ATOM 1935 O TRP P 56 -4.295 -11.264 4.283 1.00 3.41 O ATOM 1936 CB TRP P 56 -5.942 -9.739 6.271 1.00 1.67 C ATOM 1937 CG TRP P 56 -7.147 -10.555 6.612 1.00 1.78 C ATOM 1938 CD1 TRP P 56 -7.949 -10.381 7.683 1.00 1.84 C ATOM 1939 CD2 TRP P 56 -7.809 -11.548 5.788 1.00 2.05 C ATOM 1940 NE1 TRP P 56 -9.115 -11.095 7.503 1.00 2.09 N ATOM 1941 CE2 TRP P 56 -9.098 -11.812 6.326 1.00 2.22 C ATOM 1942 CE3 TRP P 56 -7.443 -12.223 4.618 1.00 2.30 C ATOM 1943 CZ2 TRP P 56 -10.024 -12.641 5.675 1.00 2.57 C ATOM 1944 CZ3 TRP P 56 -8.373 -13.026 3.931 1.00 2.68 C ATOM 1945 CH2 TRP P 56 -9.670 -13.217 4.443 1.00 2.79 C ATOM 0 H TRP P 56 -3.921 -8.444 6.189 1.00 1.50 H new ATOM 0 HA TRP P 56 -4.653 -10.887 7.483 1.00 1.83 H new ATOM 0 HB2 TRP P 56 -5.996 -8.807 6.833 1.00 1.67 H new ATOM 0 HB3 TRP P 56 -6.000 -9.478 5.214 1.00 1.67 H new ATOM 0 HD1 TRP P 56 -7.714 -9.777 8.547 1.00 1.84 H new ATOM 0 HE1 TRP P 56 -9.895 -11.093 8.161 1.00 2.09 H new ATOM 0 HE3 TRP P 56 -6.437 -12.127 4.238 1.00 2.30 H new ATOM 0 HZ2 TRP P 56 -10.992 -12.833 6.113 1.00 2.57 H new ATOM 0 HZ3 TRP P 56 -8.089 -13.500 3.003 1.00 2.68 H new ATOM 0 HH2 TRP P 56 -10.390 -13.804 3.892 1.00 2.79 H new