USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 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 50 GLN : amide:sc= -0.0966 K(o=-0.097,f=-4.3!) USER MOD Set 1.2: P 54 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 2.1: P 41 THR OG1 : rot -64:sc= 0.485 USER MOD Set 2.2: P 44 GLN : amide:sc= 1.23 K(o=1.7,f=-4.2!) USER MOD Single : P 7 THR OG1 : rot -18:sc= 0.377 USER MOD Single : P 8 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.166 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 12 GLN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : P 13 THR OG1 : rot 77:sc= 0.713 USER MOD Single : P 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00725) USER MOD Single : P 21 HIS : no HD1:sc=-0.00133 X(o=-0.0013,f=0) USER MOD Single : P 23 ASN : amide:sc= 1.43 K(o=1.4,f=-0.096) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0 USER MOD Single : P 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 39 SER OG : rot 180:sc= -0.0401 USER MOD Single : P 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0203) USER MOD Single : P 51 ASN : amide:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 -1.114 10.666 10.237 1.00 2.59 N ATOM 1027 CA THR P 7 -1.613 10.361 11.567 1.00 2.83 C ATOM 1028 C THR P 7 -3.041 9.840 11.472 1.00 2.65 C ATOM 1029 O THR P 7 -4.013 10.590 11.577 1.00 3.02 O ATOM 1030 CB THR P 7 -1.500 11.588 12.474 1.00 3.70 C ATOM 1031 OG1 THR P 7 -1.786 12.800 11.789 1.00 5.10 O ATOM 1032 CG2 THR P 7 -0.080 11.608 13.033 1.00 3.67 C ATOM 0 HA THR P 7 -1.004 9.577 12.018 1.00 2.83 H new ATOM 0 HB THR P 7 -2.239 11.516 13.272 1.00 3.70 H new ATOM 0 HG1 THR P 7 -1.719 12.653 10.822 1.00 5.10 H new ATOM 0 HG21 THR P 7 0.041 12.471 13.687 1.00 3.67 H new ATOM 0 HG22 THR P 7 0.101 10.695 13.600 1.00 3.67 H new ATOM 0 HG23 THR P 7 0.634 11.672 12.212 1.00 3.67 H new ATOM 1040 N TYR P 8 -3.166 8.533 11.308 1.00 2.27 N ATOM 1041 CA TYR P 8 -4.454 7.868 11.385 1.00 2.24 C ATOM 1042 C TYR P 8 -4.782 7.689 12.863 1.00 2.44 C ATOM 1043 O TYR P 8 -4.356 6.733 13.504 1.00 2.76 O ATOM 1044 CB TYR P 8 -4.427 6.547 10.616 1.00 2.06 C ATOM 1045 CG TYR P 8 -4.133 6.662 9.127 1.00 1.83 C ATOM 1046 CD1 TYR P 8 -4.837 7.581 8.330 1.00 2.10 C ATOM 1047 CD2 TYR P 8 -3.273 5.737 8.508 1.00 2.47 C ATOM 1048 CE1 TYR P 8 -4.711 7.552 6.931 1.00 2.11 C ATOM 1049 CE2 TYR P 8 -3.154 5.701 7.105 1.00 2.34 C ATOM 1050 CZ TYR P 8 -3.899 6.591 6.312 1.00 1.66 C ATOM 1051 OH TYR P 8 -4.107 6.335 4.992 1.00 1.78 O ATOM 0 H TYR P 8 -2.383 7.908 11.119 1.00 2.27 H new ATOM 0 HA TYR P 8 -5.238 8.463 10.915 1.00 2.24 H new ATOM 0 HB2 TYR P 8 -3.676 5.899 11.068 1.00 2.06 H new ATOM 0 HB3 TYR P 8 -5.391 6.054 10.741 1.00 2.06 H new ATOM 0 HD1 TYR P 8 -5.479 8.314 8.796 1.00 2.10 H new ATOM 0 HD2 TYR P 8 -2.700 5.050 9.113 1.00 2.47 H new ATOM 0 HE1 TYR P 8 -5.243 8.274 6.329 1.00 2.11 H new ATOM 0 HE2 TYR P 8 -2.490 4.989 6.638 1.00 2.34 H new ATOM 0 HH TYR P 8 -3.476 5.649 4.688 1.00 1.78 H new ATOM 1061 N THR P 9 -5.492 8.664 13.405 1.00 2.35 N ATOM 1062 CA THR P 9 -5.907 8.733 14.791 1.00 2.45 C ATOM 1063 C THR P 9 -6.887 7.605 15.119 1.00 2.48 C ATOM 1064 O THR P 9 -7.581 7.113 14.227 1.00 2.80 O ATOM 1065 CB THR P 9 -6.536 10.117 14.997 1.00 2.52 C ATOM 1066 OG1 THR P 9 -7.050 10.607 13.768 1.00 2.66 O ATOM 1067 CG2 THR P 9 -5.474 11.108 15.464 1.00 2.70 C ATOM 0 H THR P 9 -5.809 9.467 12.862 1.00 2.35 H new ATOM 0 HA THR P 9 -5.060 8.603 15.465 1.00 2.45 H new ATOM 0 HB THR P 9 -7.330 10.018 15.738 1.00 2.52 H new ATOM 0 HG1 THR P 9 -7.451 11.490 13.910 1.00 2.66 H new ATOM 0 HG21 THR P 9 -5.929 12.088 15.608 1.00 2.70 H new ATOM 0 HG22 THR P 9 -5.045 10.765 16.406 1.00 2.70 H new ATOM 0 HG23 THR P 9 -4.688 11.180 14.712 1.00 2.70 H new ATOM 1075 N ARG P 10 -6.947 7.192 16.389 1.00 2.48 N ATOM 1076 CA ARG P 10 -7.865 6.157 16.856 1.00 2.54 C ATOM 1077 C ARG P 10 -9.281 6.371 16.325 1.00 2.52 C ATOM 1078 O ARG P 10 -9.833 5.454 15.731 1.00 2.45 O ATOM 1079 CB ARG P 10 -7.877 6.074 18.386 1.00 2.78 C ATOM 1080 CG ARG P 10 -6.713 5.224 18.895 1.00 3.63 C ATOM 1081 CD ARG P 10 -6.727 5.211 20.426 1.00 4.47 C ATOM 1082 NE ARG P 10 -5.927 4.112 20.980 1.00 5.30 N ATOM 1083 CZ ARG P 10 -6.271 2.817 20.972 1.00 5.75 C ATOM 1084 NH1 ARG P 10 -7.419 2.424 20.422 1.00 5.79 N ATOM 1085 NH2 ARG P 10 -5.466 1.905 21.503 1.00 6.77 N ATOM 0 H ARG P 10 -6.353 7.572 17.126 1.00 2.48 H new ATOM 0 HA ARG P 10 -7.500 5.209 16.461 1.00 2.54 H new ATOM 0 HB2 ARG P 10 -7.813 7.076 18.809 1.00 2.78 H new ATOM 0 HB3 ARG P 10 -8.821 5.645 18.724 1.00 2.78 H new ATOM 0 HG2 ARG P 10 -6.795 4.207 18.511 1.00 3.63 H new ATOM 0 HG3 ARG P 10 -5.768 5.627 18.532 1.00 3.63 H new ATOM 0 HD2 ARG P 10 -6.344 6.161 20.799 1.00 4.47 H new ATOM 0 HD3 ARG P 10 -7.755 5.122 20.777 1.00 4.47 H new ATOM 0 HE ARG P 10 -5.033 4.355 21.407 1.00 5.30 H new ATOM 0 HH11 ARG P 10 -8.045 3.111 20.002 1.00 5.79 H new ATOM 0 HH12 ARG P 10 -7.672 1.436 20.421 1.00 5.79 H new ATOM 0 HH21 ARG P 10 -4.580 2.188 21.920 1.00 6.77 H new ATOM 0 HH22 ARG P 10 -5.734 0.921 21.494 1.00 6.77 H new ATOM 1099 N TYR P 11 -9.857 7.560 16.507 1.00 2.64 N ATOM 1100 CA TYR P 11 -11.183 7.904 15.992 1.00 2.68 C ATOM 1101 C TYR P 11 -11.381 7.432 14.549 1.00 2.46 C ATOM 1102 O TYR P 11 -12.407 6.843 14.217 1.00 2.50 O ATOM 1103 CB TYR P 11 -11.367 9.427 16.092 1.00 2.83 C ATOM 1104 CG TYR P 11 -12.582 9.969 15.360 1.00 2.89 C ATOM 1105 CD1 TYR P 11 -13.858 9.847 15.935 1.00 3.22 C ATOM 1106 CD2 TYR P 11 -12.449 10.503 14.064 1.00 2.93 C ATOM 1107 CE1 TYR P 11 -14.997 10.231 15.208 1.00 3.31 C ATOM 1108 CE2 TYR P 11 -13.591 10.852 13.322 1.00 3.01 C ATOM 1109 CZ TYR P 11 -14.867 10.697 13.889 1.00 3.09 C ATOM 1110 OH TYR P 11 -15.988 11.013 13.179 1.00 3.24 O ATOM 0 H TYR P 11 -9.411 8.319 17.022 1.00 2.64 H new ATOM 0 HA TYR P 11 -11.935 7.392 16.593 1.00 2.68 H new ATOM 0 HB2 TYR P 11 -11.441 9.702 17.144 1.00 2.83 H new ATOM 0 HB3 TYR P 11 -10.475 9.914 15.697 1.00 2.83 H new ATOM 0 HD1 TYR P 11 -13.963 9.458 16.937 1.00 3.22 H new ATOM 0 HD2 TYR P 11 -11.467 10.645 13.639 1.00 2.93 H new ATOM 0 HE1 TYR P 11 -15.974 10.168 15.664 1.00 3.31 H new ATOM 0 HE2 TYR P 11 -13.488 11.238 12.319 1.00 3.01 H new ATOM 0 HH TYR P 11 -15.733 11.321 12.284 1.00 3.24 H new ATOM 1120 N GLN P 12 -10.413 7.710 13.680 1.00 2.29 N ATOM 1121 CA GLN P 12 -10.527 7.356 12.277 1.00 2.11 C ATOM 1122 C GLN P 12 -10.368 5.841 12.141 1.00 1.97 C ATOM 1123 O GLN P 12 -11.196 5.154 11.551 1.00 2.01 O ATOM 1124 CB GLN P 12 -9.476 8.122 11.466 1.00 2.07 C ATOM 1125 CG GLN P 12 -9.568 9.638 11.704 1.00 2.34 C ATOM 1126 CD GLN P 12 -8.529 10.454 10.946 1.00 2.31 C ATOM 1127 OE1 GLN P 12 -8.360 11.640 11.227 1.00 3.08 O ATOM 1128 NE2 GLN P 12 -7.811 9.877 9.988 1.00 2.61 N ATOM 0 H GLN P 12 -9.542 8.180 13.927 1.00 2.29 H new ATOM 0 HA GLN P 12 -11.505 7.634 11.884 1.00 2.11 H new ATOM 0 HB2 GLN P 12 -8.480 7.771 11.737 1.00 2.07 H new ATOM 0 HB3 GLN P 12 -9.610 7.911 10.405 1.00 2.07 H new ATOM 0 HG2 GLN P 12 -10.562 9.980 11.416 1.00 2.34 H new ATOM 0 HG3 GLN P 12 -9.460 9.834 12.771 1.00 2.34 H new ATOM 0 HE21 GLN P 12 -7.959 8.893 9.762 1.00 2.61 H new ATOM 0 HE22 GLN P 12 -7.112 10.418 9.478 1.00 2.61 H new ATOM 1137 N THR P 13 -9.288 5.321 12.724 1.00 2.01 N ATOM 1138 CA THR P 13 -8.970 3.904 12.696 1.00 1.94 C ATOM 1139 C THR P 13 -10.156 3.059 13.183 1.00 2.05 C ATOM 1140 O THR P 13 -10.342 1.942 12.720 1.00 2.06 O ATOM 1141 CB THR P 13 -7.699 3.642 13.524 1.00 2.02 C ATOM 1142 OG1 THR P 13 -6.713 4.624 13.262 1.00 2.10 O ATOM 1143 CG2 THR P 13 -7.068 2.299 13.160 1.00 1.95 C ATOM 0 H THR P 13 -8.605 5.883 13.233 1.00 2.01 H new ATOM 0 HA THR P 13 -8.775 3.604 11.667 1.00 1.94 H new ATOM 0 HB THR P 13 -8.007 3.659 14.569 1.00 2.02 H new ATOM 0 HG1 THR P 13 -6.942 5.452 13.734 1.00 2.10 H new ATOM 0 HG21 THR P 13 -6.173 2.143 13.761 1.00 1.95 H new ATOM 0 HG22 THR P 13 -7.780 1.497 13.355 1.00 1.95 H new ATOM 0 HG23 THR P 13 -6.800 2.297 12.103 1.00 1.95 H new ATOM 1151 N LEU P 14 -10.936 3.556 14.140 1.00 2.19 N ATOM 1152 CA LEU P 14 -12.018 2.824 14.767 1.00 2.34 C ATOM 1153 C LEU P 14 -13.042 2.379 13.733 1.00 2.25 C ATOM 1154 O LEU P 14 -13.275 1.180 13.578 1.00 2.24 O ATOM 1155 CB LEU P 14 -12.663 3.693 15.858 1.00 2.57 C ATOM 1156 CG LEU P 14 -12.104 3.364 17.245 1.00 2.85 C ATOM 1157 CD1 LEU P 14 -12.478 4.512 18.178 1.00 3.17 C ATOM 1158 CD2 LEU P 14 -12.686 2.051 17.793 1.00 3.05 C ATOM 0 H LEU P 14 -10.825 4.502 14.505 1.00 2.19 H new ATOM 0 HA LEU P 14 -11.618 1.923 15.232 1.00 2.34 H new ATOM 0 HB2 LEU P 14 -12.489 4.746 15.635 1.00 2.57 H new ATOM 0 HB3 LEU P 14 -13.742 3.541 15.855 1.00 2.57 H new ATOM 0 HG LEU P 14 -11.023 3.240 17.177 1.00 2.85 H new ATOM 0 HD11 LEU P 14 -12.094 4.309 19.177 1.00 3.17 H new ATOM 0 HD12 LEU P 14 -12.045 5.440 17.805 1.00 3.17 H new ATOM 0 HD13 LEU P 14 -13.563 4.609 18.219 1.00 3.17 H new ATOM 0 HD21 LEU P 14 -12.266 1.850 18.779 1.00 3.05 H new ATOM 0 HD22 LEU P 14 -13.770 2.138 17.871 1.00 3.05 H new ATOM 0 HD23 LEU P 14 -12.435 1.232 17.118 1.00 3.05 H new ATOM 1170 N GLU P 15 -13.677 3.327 13.042 1.00 2.23 N ATOM 1171 CA GLU P 15 -14.745 2.954 12.134 1.00 2.24 C ATOM 1172 C GLU P 15 -14.197 2.141 10.961 1.00 2.00 C ATOM 1173 O GLU P 15 -14.908 1.308 10.398 1.00 2.02 O ATOM 1174 CB GLU P 15 -15.530 4.189 11.703 1.00 2.40 C ATOM 1175 CG GLU P 15 -14.757 5.177 10.832 1.00 2.48 C ATOM 1176 CD GLU P 15 -15.724 6.287 10.493 1.00 2.79 C ATOM 1177 OE1 GLU P 15 -16.546 6.071 9.582 1.00 3.47 O ATOM 1178 OE2 GLU P 15 -15.774 7.281 11.250 1.00 3.29 O ATOM 0 H GLU P 15 -13.475 4.325 13.094 1.00 2.23 H new ATOM 0 HA GLU P 15 -15.451 2.303 12.650 1.00 2.24 H new ATOM 0 HB2 GLU P 15 -16.417 3.865 11.158 1.00 2.40 H new ATOM 0 HB3 GLU P 15 -15.877 4.710 12.596 1.00 2.40 H new ATOM 0 HG2 GLU P 15 -13.888 5.566 11.363 1.00 2.48 H new ATOM 0 HG3 GLU P 15 -14.388 4.693 9.928 1.00 2.48 H new ATOM 1185 N LEU P 16 -12.937 2.386 10.613 1.00 1.84 N ATOM 1186 CA LEU P 16 -12.227 1.695 9.560 1.00 1.68 C ATOM 1187 C LEU P 16 -11.958 0.228 9.932 1.00 1.64 C ATOM 1188 O LEU P 16 -12.255 -0.660 9.140 1.00 1.60 O ATOM 1189 CB LEU P 16 -10.953 2.484 9.243 1.00 1.63 C ATOM 1190 CG LEU P 16 -11.207 3.785 8.465 1.00 1.60 C ATOM 1191 CD1 LEU P 16 -9.913 4.605 8.426 1.00 1.68 C ATOM 1192 CD2 LEU P 16 -11.616 3.501 7.017 1.00 1.63 C ATOM 0 H LEU P 16 -12.370 3.096 11.076 1.00 1.84 H new ATOM 0 HA LEU P 16 -12.837 1.649 8.658 1.00 1.68 H new ATOM 0 HB2 LEU P 16 -10.443 2.723 10.176 1.00 1.63 H new ATOM 0 HB3 LEU P 16 -10.279 1.851 8.665 1.00 1.63 H new ATOM 0 HG LEU P 16 -12.011 4.323 8.968 1.00 1.60 H new ATOM 0 HD11 LEU P 16 -10.085 5.530 7.876 1.00 1.68 H new ATOM 0 HD12 LEU P 16 -9.601 4.841 9.443 1.00 1.68 H new ATOM 0 HD13 LEU P 16 -9.132 4.028 7.931 1.00 1.68 H new ATOM 0 HD21 LEU P 16 -11.788 4.443 6.496 1.00 1.63 H new ATOM 0 HD22 LEU P 16 -10.821 2.949 6.516 1.00 1.63 H new ATOM 0 HD23 LEU P 16 -12.531 2.909 7.007 1.00 1.63 H new ATOM 1204 N GLU P 17 -11.443 -0.068 11.128 1.00 1.73 N ATOM 1205 CA GLU P 17 -11.230 -1.440 11.597 1.00 1.80 C ATOM 1206 C GLU P 17 -12.552 -2.194 11.788 1.00 2.04 C ATOM 1207 O GLU P 17 -12.567 -3.430 11.836 1.00 2.29 O ATOM 1208 CB GLU P 17 -10.340 -1.438 12.857 1.00 2.05 C ATOM 1209 CG GLU P 17 -8.923 -1.059 12.407 1.00 2.11 C ATOM 1210 CD GLU P 17 -7.825 -1.177 13.450 1.00 2.60 C ATOM 1211 OE1 GLU P 17 -8.144 -1.236 14.659 1.00 2.97 O ATOM 1212 OE2 GLU P 17 -6.637 -1.174 13.039 1.00 3.47 O ATOM 0 H GLU P 17 -11.160 0.642 11.803 1.00 1.73 H new ATOM 0 HA GLU P 17 -10.696 -1.994 10.825 1.00 1.80 H new ATOM 0 HB2 GLU P 17 -10.714 -0.725 13.592 1.00 2.05 H new ATOM 0 HB3 GLU P 17 -10.344 -2.419 13.333 1.00 2.05 H new ATOM 0 HG2 GLU P 17 -8.655 -1.688 11.558 1.00 2.11 H new ATOM 0 HG3 GLU P 17 -8.943 -0.030 12.048 1.00 2.11 H new ATOM 1219 N LYS P 18 -13.650 -1.452 11.909 1.00 2.10 N ATOM 1220 CA LYS P 18 -15.019 -1.958 11.835 1.00 2.26 C ATOM 1221 C LYS P 18 -15.390 -2.306 10.379 1.00 2.14 C ATOM 1222 O LYS P 18 -15.725 -3.458 10.103 1.00 2.19 O ATOM 1223 CB LYS P 18 -15.988 -0.936 12.451 1.00 2.46 C ATOM 1224 CG LYS P 18 -16.376 -1.188 13.915 1.00 2.88 C ATOM 1225 CD LYS P 18 -15.183 -1.411 14.856 1.00 3.89 C ATOM 1226 CE LYS P 18 -15.467 -0.877 16.268 1.00 4.92 C ATOM 1227 NZ LYS P 18 -16.679 -1.446 16.895 1.00 5.32 N ATOM 0 H LYS P 18 -13.610 -0.445 12.067 1.00 2.10 H new ATOM 0 HA LYS P 18 -15.096 -2.879 12.413 1.00 2.26 H new ATOM 0 HB2 LYS P 18 -15.538 0.054 12.378 1.00 2.46 H new ATOM 0 HB3 LYS P 18 -16.898 -0.917 11.851 1.00 2.46 H new ATOM 0 HG2 LYS P 18 -16.955 -0.338 14.277 1.00 2.88 H new ATOM 0 HG3 LYS P 18 -17.028 -2.060 13.961 1.00 2.88 H new ATOM 0 HD2 LYS P 18 -14.955 -2.476 14.908 1.00 3.89 H new ATOM 0 HD3 LYS P 18 -14.301 -0.915 14.450 1.00 3.89 H new ATOM 0 HE2 LYS P 18 -14.608 -1.089 16.905 1.00 4.92 H new ATOM 0 HE3 LYS P 18 -15.570 0.207 16.221 1.00 4.92 H new ATOM 0 HZ1 LYS P 18 -16.775 -1.077 17.862 1.00 5.32 H new ATOM 0 HZ2 LYS P 18 -17.516 -1.180 16.338 1.00 5.32 H new ATOM 0 HZ3 LYS P 18 -16.600 -2.482 16.927 1.00 5.32 H new ATOM 1241 N GLU P 19 -15.342 -1.343 9.447 1.00 2.03 N ATOM 1242 CA GLU P 19 -15.561 -1.568 8.014 1.00 1.94 C ATOM 1243 C GLU P 19 -14.785 -2.796 7.547 1.00 1.82 C ATOM 1244 O GLU P 19 -15.372 -3.737 7.022 1.00 1.89 O ATOM 1245 CB GLU P 19 -15.109 -0.345 7.198 1.00 1.85 C ATOM 1246 CG GLU P 19 -16.189 0.733 7.046 1.00 2.15 C ATOM 1247 CD GLU P 19 -17.254 0.375 6.024 1.00 2.22 C ATOM 1248 OE1 GLU P 19 -17.064 -0.572 5.229 1.00 2.62 O ATOM 1249 OE2 GLU P 19 -18.322 1.012 6.061 1.00 2.88 O ATOM 0 H GLU P 19 -15.146 -0.368 9.674 1.00 2.03 H new ATOM 0 HA GLU P 19 -16.628 -1.729 7.857 1.00 1.94 H new ATOM 0 HB2 GLU P 19 -14.234 0.096 7.676 1.00 1.85 H new ATOM 0 HB3 GLU P 19 -14.798 -0.676 6.207 1.00 1.85 H new ATOM 0 HG2 GLU P 19 -16.664 0.900 8.013 1.00 2.15 H new ATOM 0 HG3 GLU P 19 -15.717 1.672 6.756 1.00 2.15 H new ATOM 1256 N PHE P 20 -13.473 -2.773 7.765 1.00 1.71 N ATOM 1257 CA PHE P 20 -12.527 -3.808 7.384 1.00 1.67 C ATOM 1258 C PHE P 20 -13.068 -5.203 7.686 1.00 1.73 C ATOM 1259 O PHE P 20 -13.049 -6.085 6.828 1.00 1.80 O ATOM 1260 CB PHE P 20 -11.204 -3.563 8.113 1.00 1.76 C ATOM 1261 CG PHE P 20 -10.109 -4.516 7.693 1.00 1.67 C ATOM 1262 CD1 PHE P 20 -9.409 -4.310 6.490 1.00 1.90 C ATOM 1263 CD2 PHE P 20 -9.901 -5.692 8.434 1.00 2.08 C ATOM 1264 CE1 PHE P 20 -8.549 -5.306 5.997 1.00 1.77 C ATOM 1265 CE2 PHE P 20 -9.017 -6.668 7.958 1.00 1.94 C ATOM 1266 CZ PHE P 20 -8.387 -6.506 6.714 1.00 1.32 C ATOM 0 H PHE P 20 -13.021 -1.990 8.237 1.00 1.71 H new ATOM 0 HA PHE P 20 -12.365 -3.760 6.307 1.00 1.67 H new ATOM 0 HB2 PHE P 20 -10.878 -2.540 7.927 1.00 1.76 H new ATOM 0 HB3 PHE P 20 -11.366 -3.656 9.187 1.00 1.76 H new ATOM 0 HD1 PHE P 20 -9.533 -3.386 5.945 1.00 1.90 H new ATOM 0 HD2 PHE P 20 -10.422 -5.842 9.368 1.00 2.08 H new ATOM 0 HE1 PHE P 20 -8.014 -5.151 5.071 1.00 1.77 H new ATOM 0 HE2 PHE P 20 -8.819 -7.549 8.550 1.00 1.94 H new ATOM 0 HZ PHE P 20 -7.779 -7.301 6.308 1.00 1.32 H new ATOM 1276 N HIS P 21 -13.544 -5.400 8.915 1.00 1.90 N ATOM 1277 CA HIS P 21 -14.074 -6.674 9.364 1.00 2.03 C ATOM 1278 C HIS P 21 -15.217 -7.121 8.439 1.00 2.04 C ATOM 1279 O HIS P 21 -15.296 -8.293 8.059 1.00 2.12 O ATOM 1280 CB HIS P 21 -14.472 -6.534 10.844 1.00 2.19 C ATOM 1281 CG HIS P 21 -14.887 -7.797 11.558 1.00 2.71 C ATOM 1282 ND1 HIS P 21 -15.838 -7.867 12.554 1.00 3.79 N ATOM 1283 CD2 HIS P 21 -14.276 -9.024 11.486 1.00 2.79 C ATOM 1284 CE1 HIS P 21 -15.824 -9.122 13.036 1.00 4.06 C ATOM 1285 NE2 HIS P 21 -14.884 -9.871 12.426 1.00 3.42 N ATOM 0 H HIS P 21 -13.570 -4.671 9.628 1.00 1.90 H new ATOM 0 HA HIS P 21 -13.329 -7.467 9.305 1.00 2.03 H new ATOM 0 HB2 HIS P 21 -13.630 -6.100 11.383 1.00 2.19 H new ATOM 0 HB3 HIS P 21 -15.294 -5.821 10.909 1.00 2.19 H new ATOM 0 HD2 HIS P 21 -13.468 -9.291 10.821 1.00 2.79 H new ATOM 0 HE1 HIS P 21 -16.482 -9.484 13.813 1.00 4.06 H new ATOM 0 HE2 HIS P 21 -14.661 -10.849 12.609 1.00 3.42 H new ATOM 1293 N PHE P 22 -16.083 -6.196 8.024 1.00 2.02 N ATOM 1294 CA PHE P 22 -17.139 -6.485 7.063 1.00 2.10 C ATOM 1295 C PHE P 22 -16.546 -6.753 5.675 1.00 2.13 C ATOM 1296 O PHE P 22 -16.782 -7.813 5.099 1.00 2.31 O ATOM 1297 CB PHE P 22 -18.167 -5.342 7.023 1.00 2.13 C ATOM 1298 CG PHE P 22 -19.505 -5.731 6.414 1.00 2.55 C ATOM 1299 CD1 PHE P 22 -19.693 -5.688 5.020 1.00 3.76 C ATOM 1300 CD2 PHE P 22 -20.554 -6.174 7.240 1.00 2.97 C ATOM 1301 CE1 PHE P 22 -20.935 -6.031 4.460 1.00 4.24 C ATOM 1302 CE2 PHE P 22 -21.787 -6.552 6.680 1.00 3.31 C ATOM 1303 CZ PHE P 22 -21.985 -6.460 5.291 1.00 3.54 C ATOM 0 H PHE P 22 -16.069 -5.228 8.346 1.00 2.02 H new ATOM 0 HA PHE P 22 -17.660 -7.387 7.383 1.00 2.10 H new ATOM 0 HB2 PHE P 22 -18.333 -4.982 8.038 1.00 2.13 H new ATOM 0 HB3 PHE P 22 -17.749 -4.511 6.454 1.00 2.13 H new ATOM 0 HD1 PHE P 22 -18.878 -5.390 4.377 1.00 3.76 H new ATOM 0 HD2 PHE P 22 -20.412 -6.224 8.309 1.00 2.97 H new ATOM 0 HE1 PHE P 22 -21.083 -5.965 3.392 1.00 4.24 H new ATOM 0 HE2 PHE P 22 -22.582 -6.913 7.316 1.00 3.31 H new ATOM 0 HZ PHE P 22 -22.942 -6.718 4.863 1.00 3.54 H new ATOM 1313 N ASN P 23 -15.823 -5.783 5.117 1.00 2.06 N ATOM 1314 CA ASN P 23 -15.429 -5.749 3.707 1.00 2.09 C ATOM 1315 C ASN P 23 -14.027 -5.185 3.526 1.00 1.98 C ATOM 1316 O ASN P 23 -13.597 -4.318 4.282 1.00 2.34 O ATOM 1317 CB ASN P 23 -16.422 -4.925 2.873 1.00 2.22 C ATOM 1318 CG ASN P 23 -16.852 -3.600 3.502 1.00 2.28 C ATOM 1319 OD1 ASN P 23 -18.033 -3.264 3.476 1.00 2.93 O ATOM 1320 ND2 ASN P 23 -15.957 -2.819 4.091 1.00 2.61 N ATOM 0 H ASN P 23 -15.486 -4.978 5.645 1.00 2.06 H new ATOM 0 HA ASN P 23 -15.436 -6.781 3.355 1.00 2.09 H new ATOM 0 HB2 ASN P 23 -15.974 -4.720 1.901 1.00 2.22 H new ATOM 0 HB3 ASN P 23 -17.311 -5.530 2.693 1.00 2.22 H new ATOM 0 HD21 ASN P 23 -16.250 -1.942 4.521 1.00 2.61 H new ATOM 0 HD22 ASN P 23 -14.975 -3.095 4.114 1.00 2.61 H new ATOM 1327 N ARG P 24 -13.326 -5.659 2.498 1.00 1.85 N ATOM 1328 CA ARG P 24 -11.985 -5.236 2.147 1.00 1.89 C ATOM 1329 C ARG P 24 -12.069 -4.111 1.118 1.00 1.99 C ATOM 1330 O ARG P 24 -11.342 -3.121 1.217 1.00 2.12 O ATOM 1331 CB ARG P 24 -11.196 -6.411 1.552 1.00 2.05 C ATOM 1332 CG ARG P 24 -10.798 -7.491 2.569 1.00 2.05 C ATOM 1333 CD ARG P 24 -11.953 -8.385 3.030 1.00 2.05 C ATOM 1334 NE ARG P 24 -12.637 -9.005 1.889 1.00 2.35 N ATOM 1335 CZ ARG P 24 -13.779 -9.700 1.921 1.00 3.08 C ATOM 1336 NH1 ARG P 24 -14.445 -9.896 3.061 1.00 3.96 N ATOM 1337 NH2 ARG P 24 -14.252 -10.211 0.791 1.00 3.93 N ATOM 0 H ARG P 24 -13.695 -6.372 1.869 1.00 1.85 H new ATOM 0 HA ARG P 24 -11.474 -4.885 3.044 1.00 1.89 H new ATOM 0 HB2 ARG P 24 -11.794 -6.873 0.766 1.00 2.05 H new ATOM 0 HB3 ARG P 24 -10.293 -6.024 1.080 1.00 2.05 H new ATOM 0 HG2 ARG P 24 -10.023 -8.118 2.129 1.00 2.05 H new ATOM 0 HG3 ARG P 24 -10.359 -7.007 3.441 1.00 2.05 H new ATOM 0 HD2 ARG P 24 -11.572 -9.161 3.694 1.00 2.05 H new ATOM 0 HD3 ARG P 24 -12.665 -7.794 3.606 1.00 2.05 H new ATOM 0 HE ARG P 24 -12.195 -8.894 0.976 1.00 2.35 H new ATOM 0 HH11 ARG P 24 -14.085 -9.512 3.935 1.00 3.96 H new ATOM 0 HH12 ARG P 24 -15.314 -10.430 3.059 1.00 3.96 H new ATOM 0 HH21 ARG P 24 -13.746 -10.071 -0.083 1.00 3.93 H new ATOM 0 HH22 ARG P 24 -15.122 -10.744 0.797 1.00 3.93 H new ATOM 1351 N TYR P 25 -12.869 -4.303 0.068 1.00 2.08 N ATOM 1352 CA TYR P 25 -13.042 -3.299 -0.968 1.00 2.33 C ATOM 1353 C TYR P 25 -14.102 -2.317 -0.477 1.00 2.36 C ATOM 1354 O TYR P 25 -15.168 -2.737 -0.024 1.00 2.63 O ATOM 1355 CB TYR P 25 -13.492 -3.935 -2.294 1.00 2.56 C ATOM 1356 CG TYR P 25 -12.545 -4.880 -3.022 1.00 2.55 C ATOM 1357 CD1 TYR P 25 -11.305 -5.269 -2.481 1.00 3.25 C ATOM 1358 CD2 TYR P 25 -13.017 -5.511 -4.188 1.00 3.00 C ATOM 1359 CE1 TYR P 25 -10.603 -6.346 -3.045 1.00 3.36 C ATOM 1360 CE2 TYR P 25 -12.318 -6.593 -4.747 1.00 3.31 C ATOM 1361 CZ TYR P 25 -11.142 -7.051 -4.137 1.00 3.00 C ATOM 1362 OH TYR P 25 -10.497 -8.127 -4.666 1.00 3.42 O ATOM 0 H TYR P 25 -13.409 -5.155 -0.082 1.00 2.08 H new ATOM 0 HA TYR P 25 -12.094 -2.795 -1.156 1.00 2.33 H new ATOM 0 HB2 TYR P 25 -14.415 -4.481 -2.100 1.00 2.56 H new ATOM 0 HB3 TYR P 25 -13.739 -3.125 -2.980 1.00 2.56 H new ATOM 0 HD1 TYR P 25 -10.894 -4.740 -1.634 1.00 3.25 H new ATOM 0 HD2 TYR P 25 -13.924 -5.160 -4.657 1.00 3.00 H new ATOM 0 HE1 TYR P 25 -9.645 -6.635 -2.639 1.00 3.36 H new ATOM 0 HE2 TYR P 25 -12.685 -7.070 -5.643 1.00 3.31 H new ATOM 0 HH TYR P 25 -11.019 -8.487 -5.413 1.00 3.42 H new ATOM 1372 N LEU P 26 -13.842 -1.017 -0.596 1.00 2.45 N ATOM 1373 CA LEU P 26 -14.872 0.006 -0.465 1.00 2.48 C ATOM 1374 C LEU P 26 -15.203 0.429 -1.884 1.00 2.75 C ATOM 1375 O LEU P 26 -14.280 0.720 -2.646 1.00 3.30 O ATOM 1376 CB LEU P 26 -14.361 1.202 0.345 1.00 2.49 C ATOM 1377 CG LEU P 26 -14.754 1.111 1.823 1.00 2.35 C ATOM 1378 CD1 LEU P 26 -14.200 -0.154 2.476 1.00 2.20 C ATOM 1379 CD2 LEU P 26 -14.235 2.350 2.555 1.00 2.61 C ATOM 0 H LEU P 26 -12.911 -0.645 -0.786 1.00 2.45 H new ATOM 0 HA LEU P 26 -15.746 -0.374 0.063 1.00 2.48 H new ATOM 0 HB2 LEU P 26 -13.276 1.257 0.262 1.00 2.49 H new ATOM 0 HB3 LEU P 26 -14.760 2.123 -0.079 1.00 2.49 H new ATOM 0 HG LEU P 26 -15.841 1.064 1.890 1.00 2.35 H new ATOM 0 HD11 LEU P 26 -14.499 -0.184 3.524 1.00 2.20 H new ATOM 0 HD12 LEU P 26 -14.593 -1.031 1.961 1.00 2.20 H new ATOM 0 HD13 LEU P 26 -13.112 -0.151 2.409 1.00 2.20 H new ATOM 0 HD21 LEU P 26 -14.511 2.293 3.608 1.00 2.61 H new ATOM 0 HD22 LEU P 26 -13.150 2.397 2.466 1.00 2.61 H new ATOM 0 HD23 LEU P 26 -14.674 3.244 2.113 1.00 2.61 H new ATOM 1391 N THR P 27 -16.473 0.427 -2.279 1.00 2.51 N ATOM 1392 CA THR P 27 -16.793 0.703 -3.670 1.00 2.51 C ATOM 1393 C THR P 27 -16.734 2.204 -3.967 1.00 2.50 C ATOM 1394 O THR P 27 -16.731 3.043 -3.063 1.00 2.79 O ATOM 1395 CB THR P 27 -18.113 0.023 -4.076 1.00 2.45 C ATOM 1396 OG1 THR P 27 -18.193 -0.056 -5.490 1.00 3.17 O ATOM 1397 CG2 THR P 27 -19.359 0.701 -3.489 1.00 3.21 C ATOM 0 H THR P 27 -17.274 0.243 -1.674 1.00 2.51 H new ATOM 0 HA THR P 27 -16.029 0.258 -4.307 1.00 2.51 H new ATOM 0 HB THR P 27 -18.100 -0.981 -3.651 1.00 2.45 H new ATOM 0 HG1 THR P 27 -19.033 -0.491 -5.746 1.00 3.17 H new ATOM 0 HG21 THR P 27 -20.252 0.168 -3.817 1.00 3.21 H new ATOM 0 HG22 THR P 27 -19.305 0.682 -2.401 1.00 3.21 H new ATOM 0 HG23 THR P 27 -19.407 1.735 -3.832 1.00 3.21 H new ATOM 1405 N ARG P 28 -16.717 2.554 -5.250 1.00 2.53 N ATOM 1406 CA ARG P 28 -17.003 3.876 -5.735 1.00 2.75 C ATOM 1407 C ARG P 28 -18.396 4.221 -5.224 1.00 2.94 C ATOM 1408 O ARG P 28 -19.371 3.510 -5.463 1.00 4.30 O ATOM 1409 CB ARG P 28 -16.893 3.914 -7.260 1.00 2.81 C ATOM 1410 CG ARG P 28 -17.173 5.313 -7.819 1.00 3.46 C ATOM 1411 CD ARG P 28 -16.805 5.354 -9.305 1.00 3.62 C ATOM 1412 NE ARG P 28 -15.349 5.321 -9.516 1.00 3.40 N ATOM 1413 CZ ARG P 28 -14.546 6.394 -9.595 1.00 3.69 C ATOM 1414 NH1 ARG P 28 -15.004 7.589 -9.234 1.00 4.44 N ATOM 1415 NH2 ARG P 28 -13.293 6.288 -10.043 1.00 4.15 N ATOM 0 H ARG P 28 -16.495 1.894 -5.995 1.00 2.53 H new ATOM 0 HA ARG P 28 -16.289 4.618 -5.376 1.00 2.75 H new ATOM 0 HB2 ARG P 28 -15.894 3.597 -7.560 1.00 2.81 H new ATOM 0 HB3 ARG P 28 -17.597 3.203 -7.692 1.00 2.81 H new ATOM 0 HG2 ARG P 28 -18.225 5.565 -7.687 1.00 3.46 H new ATOM 0 HG3 ARG P 28 -16.596 6.057 -7.270 1.00 3.46 H new ATOM 0 HD2 ARG P 28 -17.264 4.507 -9.815 1.00 3.62 H new ATOM 0 HD3 ARG P 28 -17.216 6.258 -9.755 1.00 3.62 H new ATOM 0 HE ARG P 28 -14.912 4.404 -9.610 1.00 3.40 H new ATOM 0 HH11 ARG P 28 -15.962 7.688 -8.899 1.00 4.44 H new ATOM 0 HH12 ARG P 28 -14.397 8.407 -9.292 1.00 4.44 H new ATOM 0 HH21 ARG P 28 -12.930 5.380 -10.333 1.00 4.15 H new ATOM 0 HH22 ARG P 28 -12.698 7.115 -10.096 1.00 4.15 H new ATOM 1429 N ARG P 29 -18.406 5.283 -4.440 1.00 2.83 N ATOM 1430 CA ARG P 29 -19.484 5.891 -3.683 1.00 2.93 C ATOM 1431 C ARG P 29 -19.653 5.232 -2.309 1.00 2.82 C ATOM 1432 O ARG P 29 -20.734 5.245 -1.720 1.00 3.58 O ATOM 1433 CB ARG P 29 -20.754 5.956 -4.528 1.00 3.25 C ATOM 1434 CG ARG P 29 -21.761 6.983 -3.981 1.00 4.30 C ATOM 1435 CD ARG P 29 -22.522 7.689 -5.107 1.00 4.36 C ATOM 1436 NE ARG P 29 -21.608 8.467 -5.961 1.00 4.61 N ATOM 1437 CZ ARG P 29 -21.893 9.555 -6.692 1.00 5.26 C ATOM 1438 NH1 ARG P 29 -23.080 10.158 -6.613 1.00 5.89 N ATOM 1439 NH2 ARG P 29 -20.948 10.027 -7.503 1.00 5.83 N ATOM 0 H ARG P 29 -17.542 5.808 -4.302 1.00 2.83 H new ATOM 0 HA ARG P 29 -19.229 6.925 -3.453 1.00 2.93 H new ATOM 0 HB2 ARG P 29 -20.493 6.215 -5.554 1.00 3.25 H new ATOM 0 HB3 ARG P 29 -21.221 4.971 -4.557 1.00 3.25 H new ATOM 0 HG2 ARG P 29 -22.470 6.482 -3.322 1.00 4.30 H new ATOM 0 HG3 ARG P 29 -21.234 7.723 -3.379 1.00 4.30 H new ATOM 0 HD2 ARG P 29 -23.049 6.951 -5.712 1.00 4.36 H new ATOM 0 HD3 ARG P 29 -23.277 8.350 -4.681 1.00 4.36 H new ATOM 0 HE ARG P 29 -20.643 8.139 -6.001 1.00 4.61 H new ATOM 0 HH11 ARG P 29 -23.797 9.793 -5.986 1.00 5.89 H new ATOM 0 HH12 ARG P 29 -23.271 10.984 -7.180 1.00 5.89 H new ATOM 0 HH21 ARG P 29 -20.041 9.563 -7.554 1.00 5.83 H new ATOM 0 HH22 ARG P 29 -21.131 10.853 -8.073 1.00 5.83 H new ATOM 1453 N ARG P 30 -18.552 4.708 -1.765 1.00 2.48 N ATOM 1454 CA ARG P 30 -18.347 4.502 -0.334 1.00 2.35 C ATOM 1455 C ARG P 30 -16.930 4.963 0.007 1.00 2.10 C ATOM 1456 O ARG P 30 -16.720 5.724 0.944 1.00 2.07 O ATOM 1457 CB ARG P 30 -18.565 3.032 0.054 1.00 2.37 C ATOM 1458 CG ARG P 30 -18.348 2.764 1.555 1.00 2.89 C ATOM 1459 CD ARG P 30 -19.340 3.523 2.445 1.00 2.98 C ATOM 1460 NE ARG P 30 -19.281 3.095 3.855 1.00 2.94 N ATOM 1461 CZ ARG P 30 -19.966 3.685 4.849 1.00 3.29 C ATOM 1462 NH1 ARG P 30 -20.760 4.722 4.591 1.00 3.79 N ATOM 1463 NH2 ARG P 30 -19.833 3.233 6.092 1.00 3.81 N ATOM 0 H ARG P 30 -17.756 4.407 -2.327 1.00 2.48 H new ATOM 0 HA ARG P 30 -19.074 5.082 0.235 1.00 2.35 H new ATOM 0 HB2 ARG P 30 -19.578 2.737 -0.219 1.00 2.37 H new ATOM 0 HB3 ARG P 30 -17.885 2.406 -0.523 1.00 2.37 H new ATOM 0 HG2 ARG P 30 -18.441 1.695 1.745 1.00 2.89 H new ATOM 0 HG3 ARG P 30 -17.332 3.049 1.827 1.00 2.89 H new ATOM 0 HD2 ARG P 30 -19.132 4.591 2.385 1.00 2.98 H new ATOM 0 HD3 ARG P 30 -20.351 3.373 2.066 1.00 2.98 H new ATOM 0 HE ARG P 30 -18.684 2.302 4.090 1.00 2.94 H new ATOM 0 HH11 ARG P 30 -20.850 5.071 3.637 1.00 3.79 H new ATOM 0 HH12 ARG P 30 -21.279 5.168 5.348 1.00 3.79 H new ATOM 0 HH21 ARG P 30 -19.215 2.445 6.285 1.00 3.81 H new ATOM 0 HH22 ARG P 30 -20.349 3.674 6.853 1.00 3.81 H new ATOM 1477 N ARG P 31 -15.951 4.527 -0.791 1.00 1.98 N ATOM 1478 CA ARG P 31 -14.556 4.911 -0.673 1.00 1.78 C ATOM 1479 C ARG P 31 -14.442 6.439 -0.605 1.00 1.80 C ATOM 1480 O ARG P 31 -13.899 6.970 0.361 1.00 1.80 O ATOM 1481 CB ARG P 31 -13.772 4.310 -1.856 1.00 1.84 C ATOM 1482 CG ARG P 31 -12.323 4.003 -1.466 1.00 1.87 C ATOM 1483 CD ARG P 31 -11.501 3.525 -2.674 1.00 1.69 C ATOM 1484 NE ARG P 31 -12.119 2.366 -3.357 1.00 2.17 N ATOM 1485 CZ ARG P 31 -12.489 2.282 -4.649 1.00 3.39 C ATOM 1486 NH1 ARG P 31 -12.121 3.215 -5.531 1.00 4.55 N ATOM 1487 NH2 ARG P 31 -13.219 1.239 -5.043 1.00 4.26 N ATOM 0 H ARG P 31 -16.121 3.877 -1.558 1.00 1.98 H new ATOM 0 HA ARG P 31 -14.123 4.520 0.248 1.00 1.78 H new ATOM 0 HB2 ARG P 31 -14.262 3.396 -2.192 1.00 1.84 H new ATOM 0 HB3 ARG P 31 -13.785 5.006 -2.695 1.00 1.84 H new ATOM 0 HG2 ARG P 31 -11.863 4.896 -1.042 1.00 1.87 H new ATOM 0 HG3 ARG P 31 -12.309 3.238 -0.690 1.00 1.87 H new ATOM 0 HD2 ARG P 31 -11.393 4.345 -3.383 1.00 1.69 H new ATOM 0 HD3 ARG P 31 -10.498 3.255 -2.343 1.00 1.69 H new ATOM 0 HE ARG P 31 -12.283 1.538 -2.784 1.00 2.17 H new ATOM 0 HH11 ARG P 31 -11.551 4.006 -5.229 1.00 4.55 H new ATOM 0 HH12 ARG P 31 -12.409 3.137 -6.506 1.00 4.55 H new ATOM 0 HH21 ARG P 31 -13.488 0.521 -4.370 1.00 4.26 H new ATOM 0 HH22 ARG P 31 -13.509 1.158 -6.018 1.00 4.26 H new ATOM 1501 N ILE P 32 -14.982 7.130 -1.616 1.00 1.90 N ATOM 1502 CA ILE P 32 -15.079 8.586 -1.639 1.00 1.93 C ATOM 1503 C ILE P 32 -15.731 9.070 -0.349 1.00 1.95 C ATOM 1504 O ILE P 32 -15.273 10.016 0.281 1.00 1.95 O ATOM 1505 CB ILE P 32 -15.923 9.063 -2.843 1.00 2.11 C ATOM 1506 CG1 ILE P 32 -15.151 9.024 -4.171 1.00 2.22 C ATOM 1507 CG2 ILE P 32 -16.386 10.513 -2.650 1.00 2.20 C ATOM 1508 CD1 ILE P 32 -15.048 7.627 -4.770 1.00 2.47 C ATOM 0 H ILE P 32 -15.367 6.684 -2.449 1.00 1.90 H new ATOM 0 HA ILE P 32 -14.074 8.998 -1.731 1.00 1.93 H new ATOM 0 HB ILE P 32 -16.766 8.373 -2.889 1.00 2.11 H new ATOM 0 HG12 ILE P 32 -15.641 9.683 -4.887 1.00 2.22 H new ATOM 0 HG13 ILE P 32 -14.147 9.418 -4.011 1.00 2.22 H new ATOM 0 HG21 ILE P 32 -16.978 10.824 -3.511 1.00 2.20 H new ATOM 0 HG22 ILE P 32 -16.993 10.584 -1.748 1.00 2.20 H new ATOM 0 HG23 ILE P 32 -15.516 11.163 -2.554 1.00 2.20 H new ATOM 0 HD11 ILE P 32 -14.491 7.673 -5.706 1.00 2.47 H new ATOM 0 HD12 ILE P 32 -14.531 6.969 -4.072 1.00 2.47 H new ATOM 0 HD13 ILE P 32 -16.048 7.239 -4.962 1.00 2.47 H new ATOM 1520 N GLU P 33 -16.858 8.464 0.004 1.00 2.03 N ATOM 1521 CA GLU P 33 -17.718 8.993 1.032 1.00 2.13 C ATOM 1522 C GLU P 33 -16.995 9.044 2.372 1.00 2.08 C ATOM 1523 O GLU P 33 -17.070 10.068 3.046 1.00 2.15 O ATOM 1524 CB GLU P 33 -19.010 8.177 1.065 1.00 2.30 C ATOM 1525 CG GLU P 33 -19.693 8.218 -0.316 1.00 2.41 C ATOM 1526 CD GLU P 33 -20.165 9.614 -0.648 1.00 3.28 C ATOM 1527 OE1 GLU P 33 -20.951 10.140 0.172 1.00 4.00 O ATOM 1528 OE2 GLU P 33 -19.770 10.158 -1.702 1.00 4.24 O ATOM 0 H GLU P 33 -17.192 7.597 -0.417 1.00 2.03 H new ATOM 0 HA GLU P 33 -17.987 10.025 0.809 1.00 2.13 H new ATOM 0 HB2 GLU P 33 -18.792 7.146 1.342 1.00 2.30 H new ATOM 0 HB3 GLU P 33 -19.682 8.575 1.825 1.00 2.30 H new ATOM 0 HG2 GLU P 33 -18.996 7.875 -1.080 1.00 2.41 H new ATOM 0 HG3 GLU P 33 -20.540 7.532 -0.327 1.00 2.41 H new ATOM 1535 N ILE P 34 -16.293 7.970 2.723 1.00 2.00 N ATOM 1536 CA ILE P 34 -15.466 7.907 3.918 1.00 1.99 C ATOM 1537 C ILE P 34 -14.230 8.780 3.768 1.00 1.72 C ATOM 1538 O ILE P 34 -13.832 9.445 4.716 1.00 1.78 O ATOM 1539 CB ILE P 34 -15.137 6.445 4.239 1.00 2.10 C ATOM 1540 CG1 ILE P 34 -16.316 5.935 5.072 1.00 3.08 C ATOM 1541 CG2 ILE P 34 -13.822 6.233 5.008 1.00 1.77 C ATOM 1542 CD1 ILE P 34 -16.374 4.426 4.982 1.00 2.14 C ATOM 0 H ILE P 34 -16.284 7.109 2.176 1.00 2.00 H new ATOM 0 HA ILE P 34 -16.015 8.310 4.769 1.00 1.99 H new ATOM 0 HB ILE P 34 -14.992 5.904 3.304 1.00 2.10 H new ATOM 0 HG12 ILE P 34 -16.204 6.245 6.111 1.00 3.08 H new ATOM 0 HG13 ILE P 34 -17.248 6.369 4.709 1.00 3.08 H new ATOM 0 HG21 ILE P 34 -13.674 5.168 5.189 1.00 1.77 H new ATOM 0 HG22 ILE P 34 -12.990 6.620 4.420 1.00 1.77 H new ATOM 0 HG23 ILE P 34 -13.869 6.760 5.961 1.00 1.77 H new ATOM 0 HD11 ILE P 34 -17.212 4.058 5.574 1.00 2.14 H new ATOM 0 HD12 ILE P 34 -16.506 4.128 3.942 1.00 2.14 H new ATOM 0 HD13 ILE P 34 -15.446 4.003 5.366 1.00 2.14 H new ATOM 1554 N ALA P 35 -13.618 8.783 2.585 1.00 1.55 N ATOM 1555 CA ALA P 35 -12.531 9.724 2.296 1.00 1.43 C ATOM 1556 C ALA P 35 -12.937 11.144 2.719 1.00 1.58 C ATOM 1557 O ALA P 35 -12.228 11.790 3.485 1.00 1.63 O ATOM 1558 CB ALA P 35 -12.066 9.655 0.832 1.00 1.36 C ATOM 0 H ALA P 35 -13.851 8.153 1.817 1.00 1.55 H new ATOM 0 HA ALA P 35 -11.664 9.431 2.888 1.00 1.43 H new ATOM 0 HB1 ALA P 35 -11.260 10.372 0.672 1.00 1.36 H new ATOM 0 HB2 ALA P 35 -11.707 8.650 0.611 1.00 1.36 H new ATOM 0 HB3 ALA P 35 -12.901 9.895 0.173 1.00 1.36 H new ATOM 1564 N HIS P 36 -14.108 11.607 2.290 1.00 1.69 N ATOM 1565 CA HIS P 36 -14.662 12.869 2.754 1.00 1.82 C ATOM 1566 C HIS P 36 -14.917 12.839 4.263 1.00 1.91 C ATOM 1567 O HIS P 36 -14.464 13.733 4.977 1.00 1.96 O ATOM 1568 CB HIS P 36 -15.917 13.214 1.943 1.00 1.94 C ATOM 1569 CG HIS P 36 -15.566 13.930 0.667 1.00 2.01 C ATOM 1570 ND1 HIS P 36 -15.570 15.295 0.493 1.00 2.21 N ATOM 1571 CD2 HIS P 36 -14.989 13.372 -0.442 1.00 2.13 C ATOM 1572 CE1 HIS P 36 -15.052 15.548 -0.721 1.00 2.34 C ATOM 1573 NE2 HIS P 36 -14.677 14.406 -1.332 1.00 2.27 N ATOM 0 H HIS P 36 -14.695 11.118 1.614 1.00 1.69 H new ATOM 0 HA HIS P 36 -13.936 13.665 2.588 1.00 1.82 H new ATOM 0 HB2 HIS P 36 -16.465 12.301 1.711 1.00 1.94 H new ATOM 0 HB3 HIS P 36 -16.579 13.839 2.542 1.00 1.94 H new ATOM 0 HD2 HIS P 36 -14.807 12.320 -0.602 1.00 2.13 H new ATOM 0 HE1 HIS P 36 -14.950 16.534 -1.150 1.00 2.34 H new ATOM 0 HE2 HIS P 36 -14.252 14.314 -2.255 1.00 2.27 H new ATOM 1581 N ALA P 37 -15.631 11.827 4.760 1.00 1.99 N ATOM 1582 CA ALA P 37 -16.019 11.718 6.162 1.00 2.12 C ATOM 1583 C ALA P 37 -14.834 11.965 7.098 1.00 2.11 C ATOM 1584 O ALA P 37 -14.901 12.825 7.974 1.00 2.26 O ATOM 1585 CB ALA P 37 -16.651 10.349 6.445 1.00 2.20 C ATOM 0 H ALA P 37 -15.960 11.049 4.188 1.00 1.99 H new ATOM 0 HA ALA P 37 -16.761 12.493 6.357 1.00 2.12 H new ATOM 0 HB1 ALA P 37 -16.933 10.289 7.496 1.00 2.20 H new ATOM 0 HB2 ALA P 37 -17.537 10.222 5.824 1.00 2.20 H new ATOM 0 HB3 ALA P 37 -15.932 9.562 6.217 1.00 2.20 H new ATOM 1591 N LEU P 38 -13.747 11.223 6.905 1.00 1.97 N ATOM 1592 CA LEU P 38 -12.546 11.263 7.731 1.00 1.94 C ATOM 1593 C LEU P 38 -11.541 12.317 7.249 1.00 1.88 C ATOM 1594 O LEU P 38 -10.517 12.531 7.901 1.00 1.98 O ATOM 1595 CB LEU P 38 -11.913 9.865 7.756 1.00 1.80 C ATOM 1596 CG LEU P 38 -12.860 8.790 8.319 1.00 1.93 C ATOM 1597 CD1 LEU P 38 -12.177 7.423 8.261 1.00 1.83 C ATOM 1598 CD2 LEU P 38 -13.246 9.080 9.773 1.00 2.24 C ATOM 0 H LEU P 38 -13.677 10.552 6.140 1.00 1.97 H new ATOM 0 HA LEU P 38 -12.831 11.557 8.741 1.00 1.94 H new ATOM 0 HB2 LEU P 38 -11.617 9.587 6.744 1.00 1.80 H new ATOM 0 HB3 LEU P 38 -11.005 9.893 8.358 1.00 1.80 H new ATOM 0 HG LEU P 38 -13.764 8.797 7.710 1.00 1.93 H new ATOM 0 HD11 LEU P 38 -12.849 6.663 8.660 1.00 1.83 H new ATOM 0 HD12 LEU P 38 -11.931 7.183 7.227 1.00 1.83 H new ATOM 0 HD13 LEU P 38 -11.263 7.447 8.855 1.00 1.83 H new ATOM 0 HD21 LEU P 38 -13.915 8.299 10.135 1.00 2.24 H new ATOM 0 HD22 LEU P 38 -12.348 9.103 10.390 1.00 2.24 H new ATOM 0 HD23 LEU P 38 -13.750 10.045 9.830 1.00 2.24 H new ATOM 1610 N SER P 39 -11.827 12.985 6.133 1.00 1.81 N ATOM 1611 CA SER P 39 -11.072 14.125 5.634 1.00 1.76 C ATOM 1612 C SER P 39 -9.696 13.690 5.113 1.00 1.64 C ATOM 1613 O SER P 39 -8.658 14.129 5.609 1.00 1.63 O ATOM 1614 CB SER P 39 -10.985 15.235 6.698 1.00 1.98 C ATOM 1615 OG SER P 39 -12.131 15.241 7.539 1.00 2.34 O ATOM 0 H SER P 39 -12.615 12.737 5.535 1.00 1.81 H new ATOM 0 HA SER P 39 -11.605 14.549 4.783 1.00 1.76 H new ATOM 0 HB2 SER P 39 -10.089 15.092 7.303 1.00 1.98 H new ATOM 0 HB3 SER P 39 -10.887 16.204 6.208 1.00 1.98 H new ATOM 0 HG SER P 39 -12.045 15.955 8.204 1.00 2.34 H new ATOM 1621 N LEU P 40 -9.698 12.811 4.115 1.00 1.70 N ATOM 1622 CA LEU P 40 -8.536 12.279 3.422 1.00 1.68 C ATOM 1623 C LEU P 40 -8.852 12.288 1.924 1.00 1.65 C ATOM 1624 O LEU P 40 -9.949 12.694 1.530 1.00 1.79 O ATOM 1625 CB LEU P 40 -8.273 10.845 3.909 1.00 1.66 C ATOM 1626 CG LEU P 40 -7.809 10.756 5.372 1.00 1.80 C ATOM 1627 CD1 LEU P 40 -8.072 9.346 5.906 1.00 1.73 C ATOM 1628 CD2 LEU P 40 -6.312 11.067 5.497 1.00 2.10 C ATOM 0 H LEU P 40 -10.569 12.429 3.748 1.00 1.70 H new ATOM 0 HA LEU P 40 -7.646 12.877 3.619 1.00 1.68 H new ATOM 0 HB2 LEU P 40 -9.185 10.260 3.792 1.00 1.66 H new ATOM 0 HB3 LEU P 40 -7.517 10.388 3.270 1.00 1.66 H new ATOM 0 HG LEU P 40 -8.368 11.491 5.952 1.00 1.80 H new ATOM 0 HD11 LEU P 40 -7.743 9.283 6.943 1.00 1.73 H new ATOM 0 HD12 LEU P 40 -9.139 9.129 5.850 1.00 1.73 H new ATOM 0 HD13 LEU P 40 -7.522 8.621 5.306 1.00 1.73 H new ATOM 0 HD21 LEU P 40 -6.012 10.997 6.542 1.00 2.10 H new ATOM 0 HD22 LEU P 40 -5.741 10.351 4.906 1.00 2.10 H new ATOM 0 HD23 LEU P 40 -6.118 12.075 5.131 1.00 2.10 H new ATOM 1640 N THR P 41 -7.916 11.820 1.096 1.00 1.61 N ATOM 1641 CA THR P 41 -8.145 11.577 -0.324 1.00 1.61 C ATOM 1642 C THR P 41 -8.542 10.108 -0.545 1.00 1.32 C ATOM 1643 O THR P 41 -8.283 9.260 0.312 1.00 1.14 O ATOM 1644 CB THR P 41 -6.875 11.939 -1.107 1.00 1.87 C ATOM 1645 OG1 THR P 41 -5.746 11.258 -0.588 1.00 1.90 O ATOM 1646 CG2 THR P 41 -6.579 13.440 -1.074 1.00 2.28 C ATOM 0 H THR P 41 -6.968 11.597 1.399 1.00 1.61 H new ATOM 0 HA THR P 41 -8.963 12.200 -0.684 1.00 1.61 H new ATOM 0 HB THR P 41 -7.062 11.636 -2.137 1.00 1.87 H new ATOM 0 HG1 THR P 41 -5.579 11.555 0.331 1.00 1.90 H new ATOM 0 HG21 THR P 41 -5.671 13.644 -1.642 1.00 2.28 H new ATOM 0 HG22 THR P 41 -7.413 13.985 -1.515 1.00 2.28 H new ATOM 0 HG23 THR P 41 -6.441 13.761 -0.042 1.00 2.28 H new ATOM 1654 N GLU P 42 -9.140 9.797 -1.703 1.00 1.36 N ATOM 1655 CA GLU P 42 -9.461 8.432 -2.112 1.00 1.24 C ATOM 1656 C GLU P 42 -8.276 7.491 -1.878 1.00 1.01 C ATOM 1657 O GLU P 42 -8.436 6.426 -1.278 1.00 0.87 O ATOM 1658 CB GLU P 42 -9.807 8.400 -3.604 1.00 1.46 C ATOM 1659 CG GLU P 42 -11.222 8.863 -3.956 1.00 2.11 C ATOM 1660 CD GLU P 42 -11.383 8.859 -5.461 1.00 2.87 C ATOM 1661 OE1 GLU P 42 -11.031 9.885 -6.082 1.00 3.41 O ATOM 1662 OE2 GLU P 42 -11.822 7.836 -6.031 1.00 3.78 O ATOM 0 H GLU P 42 -9.416 10.500 -2.388 1.00 1.36 H new ATOM 0 HA GLU P 42 -10.310 8.101 -1.514 1.00 1.24 H new ATOM 0 HB2 GLU P 42 -9.094 9.027 -4.139 1.00 1.46 H new ATOM 0 HB3 GLU P 42 -9.674 7.382 -3.969 1.00 1.46 H new ATOM 0 HG2 GLU P 42 -11.959 8.204 -3.497 1.00 2.11 H new ATOM 0 HG3 GLU P 42 -11.400 9.863 -3.561 1.00 2.11 H new ATOM 1669 N ARG P 43 -7.098 7.866 -2.392 1.00 1.11 N ATOM 1670 CA ARG P 43 -5.907 7.037 -2.301 1.00 1.12 C ATOM 1671 C ARG P 43 -5.705 6.573 -0.868 1.00 0.86 C ATOM 1672 O ARG P 43 -5.479 5.399 -0.635 1.00 0.65 O ATOM 1673 CB ARG P 43 -4.680 7.799 -2.821 1.00 1.40 C ATOM 1674 CG ARG P 43 -3.341 7.047 -2.663 1.00 1.49 C ATOM 1675 CD ARG P 43 -2.465 7.549 -1.498 1.00 1.55 C ATOM 1676 NE ARG P 43 -2.246 8.996 -1.620 1.00 1.50 N ATOM 1677 CZ ARG P 43 -1.782 9.846 -0.696 1.00 1.99 C ATOM 1678 NH1 ARG P 43 -1.259 9.411 0.450 1.00 3.53 N ATOM 1679 NH2 ARG P 43 -1.876 11.148 -0.925 1.00 2.25 N ATOM 0 H ARG P 43 -6.952 8.750 -2.879 1.00 1.11 H new ATOM 0 HA ARG P 43 -6.038 6.155 -2.928 1.00 1.12 H new ATOM 0 HB2 ARG P 43 -4.831 8.027 -3.876 1.00 1.40 H new ATOM 0 HB3 ARG P 43 -4.611 8.751 -2.296 1.00 1.40 H new ATOM 0 HG2 ARG P 43 -3.548 5.987 -2.516 1.00 1.49 H new ATOM 0 HG3 ARG P 43 -2.776 7.136 -3.591 1.00 1.49 H new ATOM 0 HD2 ARG P 43 -2.948 7.325 -0.547 1.00 1.55 H new ATOM 0 HD3 ARG P 43 -1.508 7.027 -1.501 1.00 1.55 H new ATOM 0 HE ARG P 43 -2.477 9.406 -2.525 1.00 1.50 H new ATOM 0 HH11 ARG P 43 -1.206 8.410 0.639 1.00 3.53 H new ATOM 0 HH12 ARG P 43 -0.912 10.079 1.138 1.00 3.53 H new ATOM 0 HH21 ARG P 43 -2.296 11.484 -1.792 1.00 2.25 H new ATOM 0 HH22 ARG P 43 -1.529 11.814 -0.234 1.00 2.25 H new ATOM 1693 N GLN P 44 -5.764 7.477 0.098 1.00 0.94 N ATOM 1694 CA GLN P 44 -5.393 7.143 1.463 1.00 0.84 C ATOM 1695 C GLN P 44 -6.342 6.093 2.040 1.00 0.71 C ATOM 1696 O GLN P 44 -5.906 5.134 2.672 1.00 0.70 O ATOM 1697 CB GLN P 44 -5.365 8.440 2.275 1.00 1.07 C ATOM 1698 CG GLN P 44 -4.212 9.294 1.746 1.00 1.74 C ATOM 1699 CD GLN P 44 -4.166 10.689 2.339 1.00 1.98 C ATOM 1700 OE1 GLN P 44 -5.091 11.480 2.138 1.00 2.64 O ATOM 1701 NE2 GLN P 44 -3.074 11.021 3.006 1.00 2.06 N ATOM 0 H GLN P 44 -6.064 8.443 -0.037 1.00 0.94 H new ATOM 0 HA GLN P 44 -4.401 6.692 1.499 1.00 0.84 H new ATOM 0 HB2 GLN P 44 -6.311 8.972 2.178 1.00 1.07 H new ATOM 0 HB3 GLN P 44 -5.227 8.225 3.335 1.00 1.07 H new ATOM 0 HG2 GLN P 44 -3.270 8.788 1.957 1.00 1.74 H new ATOM 0 HG3 GLN P 44 -4.297 9.372 0.662 1.00 1.74 H new ATOM 0 HE21 GLN P 44 -2.334 10.333 3.148 1.00 2.06 H new ATOM 0 HE22 GLN P 44 -2.971 11.965 3.379 1.00 2.06 H new ATOM 1710 N ILE P 45 -7.643 6.220 1.778 1.00 0.76 N ATOM 1711 CA ILE P 45 -8.587 5.179 2.159 1.00 0.79 C ATOM 1712 C ILE P 45 -8.193 3.863 1.474 1.00 0.77 C ATOM 1713 O ILE P 45 -8.011 2.837 2.129 1.00 0.96 O ATOM 1714 CB ILE P 45 -10.028 5.615 1.834 1.00 0.92 C ATOM 1715 CG1 ILE P 45 -10.429 6.901 2.579 1.00 1.09 C ATOM 1716 CG2 ILE P 45 -11.035 4.503 2.152 1.00 0.96 C ATOM 1717 CD1 ILE P 45 -10.208 6.868 4.097 1.00 1.16 C ATOM 0 H ILE P 45 -8.060 7.024 1.309 1.00 0.76 H new ATOM 0 HA ILE P 45 -8.551 5.014 3.236 1.00 0.79 H new ATOM 0 HB ILE P 45 -10.050 5.820 0.764 1.00 0.92 H new ATOM 0 HG12 ILE P 45 -9.864 7.735 2.163 1.00 1.09 H new ATOM 0 HG13 ILE P 45 -11.483 7.102 2.385 1.00 1.09 H new ATOM 0 HG21 ILE P 45 -12.042 4.844 1.911 1.00 0.96 H new ATOM 0 HG22 ILE P 45 -10.800 3.619 1.560 1.00 0.96 H new ATOM 0 HG23 ILE P 45 -10.980 4.255 3.212 1.00 0.96 H new ATOM 0 HD11 ILE P 45 -10.520 7.818 4.531 1.00 1.16 H new ATOM 0 HD12 ILE P 45 -10.795 6.060 4.533 1.00 1.16 H new ATOM 0 HD13 ILE P 45 -9.151 6.703 4.307 1.00 1.16 H new ATOM 1729 N LYS P 46 -8.050 3.877 0.145 1.00 0.80 N ATOM 1730 CA LYS P 46 -7.663 2.703 -0.640 1.00 0.86 C ATOM 1731 C LYS P 46 -6.464 1.993 0.016 1.00 0.73 C ATOM 1732 O LYS P 46 -6.556 0.821 0.390 1.00 0.72 O ATOM 1733 CB LYS P 46 -7.373 3.153 -2.083 1.00 1.11 C ATOM 1734 CG LYS P 46 -7.150 2.025 -3.100 1.00 1.49 C ATOM 1735 CD LYS P 46 -6.565 2.660 -4.374 1.00 1.64 C ATOM 1736 CE LYS P 46 -6.396 1.692 -5.553 1.00 1.91 C ATOM 1737 NZ LYS P 46 -5.725 0.434 -5.179 1.00 3.47 N ATOM 0 H LYS P 46 -8.201 4.712 -0.420 1.00 0.80 H new ATOM 0 HA LYS P 46 -8.472 1.974 -0.668 1.00 0.86 H new ATOM 0 HB2 LYS P 46 -8.205 3.768 -2.426 1.00 1.11 H new ATOM 0 HB3 LYS P 46 -6.488 3.790 -2.075 1.00 1.11 H new ATOM 0 HG2 LYS P 46 -6.469 1.275 -2.698 1.00 1.49 H new ATOM 0 HG3 LYS P 46 -8.089 1.517 -3.321 1.00 1.49 H new ATOM 0 HD2 LYS P 46 -7.212 3.480 -4.685 1.00 1.64 H new ATOM 0 HD3 LYS P 46 -5.594 3.093 -4.135 1.00 1.64 H new ATOM 0 HE2 LYS P 46 -7.377 1.463 -5.970 1.00 1.91 H new ATOM 0 HE3 LYS P 46 -5.822 2.183 -6.339 1.00 1.91 H new ATOM 0 HZ1 LYS P 46 -5.549 -0.133 -6.033 1.00 3.47 H new ATOM 0 HZ2 LYS P 46 -4.820 0.648 -4.713 1.00 3.47 H new ATOM 0 HZ3 LYS P 46 -6.332 -0.102 -4.526 1.00 3.47 H new ATOM 1751 N ILE P 47 -5.372 2.736 0.191 1.00 0.72 N ATOM 1752 CA ILE P 47 -4.152 2.323 0.861 1.00 0.71 C ATOM 1753 C ILE P 47 -4.466 1.696 2.201 1.00 0.67 C ATOM 1754 O ILE P 47 -4.099 0.548 2.414 1.00 0.78 O ATOM 1755 CB ILE P 47 -3.186 3.519 1.005 1.00 0.81 C ATOM 1756 CG1 ILE P 47 -2.609 3.977 -0.343 1.00 0.75 C ATOM 1757 CG2 ILE P 47 -2.029 3.227 1.967 1.00 0.91 C ATOM 1758 CD1 ILE P 47 -2.172 2.831 -1.247 1.00 0.72 C ATOM 0 H ILE P 47 -5.318 3.695 -0.152 1.00 0.72 H new ATOM 0 HA ILE P 47 -3.656 1.566 0.253 1.00 0.71 H new ATOM 0 HB ILE P 47 -3.795 4.323 1.419 1.00 0.81 H new ATOM 0 HG12 ILE P 47 -3.358 4.573 -0.864 1.00 0.75 H new ATOM 0 HG13 ILE P 47 -1.755 4.628 -0.159 1.00 0.75 H new ATOM 0 HG21 ILE P 47 -1.380 4.100 2.032 1.00 0.91 H new ATOM 0 HG22 ILE P 47 -2.427 2.997 2.955 1.00 0.91 H new ATOM 0 HG23 ILE P 47 -1.456 2.376 1.599 1.00 0.91 H new ATOM 0 HD11 ILE P 47 -1.776 3.234 -2.179 1.00 0.72 H new ATOM 0 HD12 ILE P 47 -1.399 2.247 -0.747 1.00 0.72 H new ATOM 0 HD13 ILE P 47 -3.028 2.191 -1.463 1.00 0.72 H new ATOM 1770 N TRP P 48 -5.114 2.419 3.109 1.00 0.56 N ATOM 1771 CA TRP P 48 -5.340 1.929 4.458 1.00 0.62 C ATOM 1772 C TRP P 48 -5.911 0.509 4.413 1.00 0.58 C ATOM 1773 O TRP P 48 -5.378 -0.412 5.030 1.00 0.68 O ATOM 1774 CB TRP P 48 -6.239 2.904 5.226 1.00 0.75 C ATOM 1775 CG TRP P 48 -6.434 2.539 6.662 1.00 0.91 C ATOM 1776 CD1 TRP P 48 -5.693 2.987 7.699 1.00 1.09 C ATOM 1777 CD2 TRP P 48 -7.331 1.537 7.222 1.00 0.99 C ATOM 1778 NE1 TRP P 48 -6.071 2.344 8.857 1.00 1.24 N ATOM 1779 CE2 TRP P 48 -7.072 1.422 8.618 1.00 1.17 C ATOM 1780 CE3 TRP P 48 -8.317 0.689 6.679 1.00 1.03 C ATOM 1781 CZ2 TRP P 48 -7.754 0.500 9.424 1.00 1.31 C ATOM 1782 CZ3 TRP P 48 -8.979 -0.261 7.468 1.00 1.21 C ATOM 1783 CH2 TRP P 48 -8.687 -0.370 8.836 1.00 1.32 C ATOM 0 H TRP P 48 -5.492 3.349 2.931 1.00 0.56 H new ATOM 0 HA TRP P 48 -4.393 1.875 4.996 1.00 0.62 H new ATOM 0 HB2 TRP P 48 -5.807 3.903 5.170 1.00 0.75 H new ATOM 0 HB3 TRP P 48 -7.212 2.949 4.737 1.00 0.75 H new ATOM 0 HD1 TRP P 48 -4.919 3.738 7.630 1.00 1.09 H new ATOM 0 HE1 TRP P 48 -5.664 2.525 9.774 1.00 1.24 H new ATOM 0 HE3 TRP P 48 -8.568 0.773 5.632 1.00 1.03 H new ATOM 0 HZ2 TRP P 48 -7.564 0.459 10.486 1.00 1.31 H new ATOM 0 HZ3 TRP P 48 -9.717 -0.912 7.022 1.00 1.21 H new ATOM 0 HH2 TRP P 48 -9.179 -1.121 9.436 1.00 1.32 H new ATOM 1794 N PHE P 49 -6.957 0.301 3.611 1.00 0.55 N ATOM 1795 CA PHE P 49 -7.601 -1.002 3.519 1.00 0.69 C ATOM 1796 C PHE P 49 -6.644 -2.025 2.908 1.00 0.66 C ATOM 1797 O PHE P 49 -6.519 -3.133 3.424 1.00 0.71 O ATOM 1798 CB PHE P 49 -8.920 -0.933 2.733 1.00 0.89 C ATOM 1799 CG PHE P 49 -10.115 -0.424 3.519 1.00 1.05 C ATOM 1800 CD1 PHE P 49 -10.397 0.951 3.571 1.00 1.36 C ATOM 1801 CD2 PHE P 49 -10.961 -1.327 4.195 1.00 1.40 C ATOM 1802 CE1 PHE P 49 -11.460 1.429 4.349 1.00 1.61 C ATOM 1803 CE2 PHE P 49 -12.026 -0.846 4.977 1.00 1.63 C ATOM 1804 CZ PHE P 49 -12.256 0.537 5.079 1.00 1.61 C ATOM 0 H PHE P 49 -7.373 1.020 3.018 1.00 0.55 H new ATOM 0 HA PHE P 49 -7.852 -1.324 4.530 1.00 0.69 H new ATOM 0 HB2 PHE P 49 -8.774 -0.289 1.866 1.00 0.89 H new ATOM 0 HB3 PHE P 49 -9.152 -1.929 2.355 1.00 0.89 H new ATOM 0 HD1 PHE P 49 -9.790 1.645 3.008 1.00 1.36 H new ATOM 0 HD2 PHE P 49 -10.791 -2.390 4.112 1.00 1.40 H new ATOM 0 HE1 PHE P 49 -11.666 2.488 4.386 1.00 1.61 H new ATOM 0 HE2 PHE P 49 -12.668 -1.540 5.500 1.00 1.63 H new ATOM 0 HZ PHE P 49 -13.043 0.910 5.717 1.00 1.61 H new ATOM 1814 N GLN P 50 -5.992 -1.691 1.789 1.00 0.67 N ATOM 1815 CA GLN P 50 -5.088 -2.609 1.107 1.00 0.83 C ATOM 1816 C GLN P 50 -3.975 -3.053 2.068 1.00 0.72 C ATOM 1817 O GLN P 50 -3.806 -4.242 2.333 1.00 0.83 O ATOM 1818 CB GLN P 50 -4.557 -1.941 -0.180 1.00 1.05 C ATOM 1819 CG GLN P 50 -3.663 -2.856 -1.033 1.00 1.49 C ATOM 1820 CD GLN P 50 -4.414 -4.102 -1.505 1.00 3.77 C ATOM 1821 OE1 GLN P 50 -4.441 -5.117 -0.818 1.00 4.99 O ATOM 1822 NE2 GLN P 50 -5.078 -4.029 -2.656 1.00 5.04 N ATOM 0 H GLN P 50 -6.079 -0.781 1.337 1.00 0.67 H new ATOM 0 HA GLN P 50 -5.613 -3.514 0.803 1.00 0.83 H new ATOM 0 HB2 GLN P 50 -5.403 -1.612 -0.783 1.00 1.05 H new ATOM 0 HB3 GLN P 50 -3.993 -1.049 0.092 1.00 1.05 H new ATOM 0 HG2 GLN P 50 -3.296 -2.303 -1.898 1.00 1.49 H new ATOM 0 HG3 GLN P 50 -2.790 -3.155 -0.453 1.00 1.49 H new ATOM 0 HE21 GLN P 50 -5.042 -3.175 -3.212 1.00 5.04 H new ATOM 0 HE22 GLN P 50 -5.623 -4.827 -2.982 1.00 5.04 H new ATOM 1831 N ASN P 51 -3.257 -2.091 2.641 1.00 0.66 N ATOM 1832 CA ASN P 51 -2.163 -2.323 3.585 1.00 0.86 C ATOM 1833 C ASN P 51 -2.656 -3.165 4.762 1.00 0.90 C ATOM 1834 O ASN P 51 -2.113 -4.232 5.041 1.00 1.12 O ATOM 1835 CB ASN P 51 -1.563 -0.985 4.050 1.00 1.13 C ATOM 1836 CG ASN P 51 -0.820 -1.086 5.385 1.00 2.12 C ATOM 1837 OD1 ASN P 51 -1.115 -0.320 6.299 1.00 3.48 O ATOM 1838 ND2 ASN P 51 0.111 -2.020 5.529 1.00 2.71 N ATOM 0 H ASN P 51 -3.423 -1.101 2.458 1.00 0.66 H new ATOM 0 HA ASN P 51 -1.370 -2.880 3.087 1.00 0.86 H new ATOM 0 HB2 ASN P 51 -0.877 -0.618 3.287 1.00 1.13 H new ATOM 0 HB3 ASN P 51 -2.362 -0.249 4.141 1.00 1.13 H new ATOM 0 HD21 ASN P 51 0.604 -2.117 6.417 1.00 2.71 H new ATOM 0 HD22 ASN P 51 0.334 -2.642 4.752 1.00 2.71 H new ATOM 1845 N ARG P 52 -3.733 -2.726 5.414 1.00 0.90 N ATOM 1846 CA ARG P 52 -4.317 -3.451 6.536 1.00 1.09 C ATOM 1847 C ARG P 52 -4.625 -4.900 6.126 1.00 1.10 C ATOM 1848 O ARG P 52 -4.366 -5.842 6.869 1.00 1.28 O ATOM 1849 CB ARG P 52 -5.539 -2.674 7.067 1.00 1.24 C ATOM 1850 CG ARG P 52 -6.146 -3.216 8.370 1.00 1.06 C ATOM 1851 CD ARG P 52 -5.237 -3.067 9.606 1.00 1.55 C ATOM 1852 NE ARG P 52 -5.505 -1.854 10.403 1.00 1.88 N ATOM 1853 CZ ARG P 52 -4.859 -0.680 10.324 1.00 1.95 C ATOM 1854 NH1 ARG P 52 -4.047 -0.423 9.303 1.00 2.56 N ATOM 1855 NH2 ARG P 52 -5.048 0.226 11.281 1.00 2.80 N ATOM 0 H ARG P 52 -4.221 -1.862 5.179 1.00 0.90 H new ATOM 0 HA ARG P 52 -3.610 -3.521 7.363 1.00 1.09 H new ATOM 0 HB2 ARG P 52 -5.248 -1.636 7.226 1.00 1.24 H new ATOM 0 HB3 ARG P 52 -6.311 -2.675 6.298 1.00 1.24 H new ATOM 0 HG2 ARG P 52 -7.086 -2.699 8.561 1.00 1.06 H new ATOM 0 HG3 ARG P 52 -6.384 -4.271 8.234 1.00 1.06 H new ATOM 0 HD2 ARG P 52 -5.360 -3.943 10.243 1.00 1.55 H new ATOM 0 HD3 ARG P 52 -4.197 -3.053 9.280 1.00 1.55 H new ATOM 0 HE ARG P 52 -6.261 -1.914 11.086 1.00 1.88 H new ATOM 0 HH11 ARG P 52 -3.911 -1.121 8.572 1.00 2.56 H new ATOM 0 HH12 ARG P 52 -3.560 0.472 9.251 1.00 2.56 H new ATOM 0 HH21 ARG P 52 -5.676 0.023 12.059 1.00 2.80 H new ATOM 0 HH22 ARG P 52 -4.565 1.123 11.236 1.00 2.80 H new ATOM 1869 N ARG P 53 -5.118 -5.125 4.906 1.00 1.00 N ATOM 1870 CA ARG P 53 -5.327 -6.477 4.413 1.00 1.15 C ATOM 1871 C ARG P 53 -4.015 -7.263 4.291 1.00 1.19 C ATOM 1872 O ARG P 53 -3.943 -8.420 4.693 1.00 1.42 O ATOM 1873 CB ARG P 53 -6.065 -6.461 3.074 1.00 1.27 C ATOM 1874 CG ARG P 53 -6.867 -7.761 2.932 1.00 1.73 C ATOM 1875 CD ARG P 53 -7.028 -8.114 1.455 1.00 2.10 C ATOM 1876 NE ARG P 53 -7.494 -6.950 0.698 1.00 1.75 N ATOM 1877 CZ ARG P 53 -7.133 -6.646 -0.556 1.00 2.46 C ATOM 1878 NH1 ARG P 53 -6.320 -7.415 -1.274 1.00 3.55 N ATOM 1879 NH2 ARG P 53 -7.605 -5.538 -1.093 1.00 3.37 N ATOM 0 H ARG P 53 -5.377 -4.389 4.249 1.00 1.00 H new ATOM 0 HA ARG P 53 -5.945 -6.989 5.151 1.00 1.15 H new ATOM 0 HB2 ARG P 53 -6.731 -5.600 3.021 1.00 1.27 H new ATOM 0 HB3 ARG P 53 -5.354 -6.365 2.253 1.00 1.27 H new ATOM 0 HG2 ARG P 53 -6.359 -8.571 3.455 1.00 1.73 H new ATOM 0 HG3 ARG P 53 -7.846 -7.647 3.396 1.00 1.73 H new ATOM 0 HD2 ARG P 53 -6.076 -8.460 1.052 1.00 2.10 H new ATOM 0 HD3 ARG P 53 -7.738 -8.934 1.346 1.00 2.10 H new ATOM 0 HE ARG P 53 -8.147 -6.319 1.163 1.00 1.75 H new ATOM 0 HH11 ARG P 53 -5.945 -8.275 -0.873 1.00 3.55 H new ATOM 0 HH12 ARG P 53 -6.071 -7.145 -2.226 1.00 3.55 H new ATOM 0 HH21 ARG P 53 -8.229 -4.936 -0.555 1.00 3.37 H new ATOM 0 HH22 ARG P 53 -7.346 -5.283 -2.046 1.00 3.37 H new ATOM 1893 N MET P 54 -2.988 -6.669 3.687 1.00 1.04 N ATOM 1894 CA MET P 54 -1.702 -7.335 3.515 1.00 1.17 C ATOM 1895 C MET P 54 -1.162 -7.788 4.881 1.00 1.35 C ATOM 1896 O MET P 54 -0.782 -8.949 5.038 1.00 1.60 O ATOM 1897 CB MET P 54 -0.738 -6.428 2.733 1.00 1.17 C ATOM 1898 CG MET P 54 -1.184 -6.269 1.270 1.00 1.27 C ATOM 1899 SD MET P 54 -1.045 -7.763 0.252 1.00 1.97 S ATOM 1900 CE MET P 54 -2.338 -7.449 -0.962 1.00 1.41 C ATOM 0 H MET P 54 -3.024 -5.723 3.307 1.00 1.04 H new ATOM 0 HA MET P 54 -1.818 -8.239 2.917 1.00 1.17 H new ATOM 0 HB2 MET P 54 -0.690 -5.449 3.209 1.00 1.17 H new ATOM 0 HB3 MET P 54 0.267 -6.848 2.765 1.00 1.17 H new ATOM 0 HG2 MET P 54 -2.222 -5.936 1.258 1.00 1.27 H new ATOM 0 HG3 MET P 54 -0.590 -5.479 0.810 1.00 1.27 H new ATOM 0 HE1 MET P 54 -2.349 -8.253 -1.698 1.00 1.41 H new ATOM 0 HE2 MET P 54 -3.305 -7.403 -0.460 1.00 1.41 H new ATOM 0 HE3 MET P 54 -2.144 -6.501 -1.463 1.00 1.41 H new ATOM 1910 N LYS P 55 -1.226 -6.908 5.882 1.00 1.31 N ATOM 1911 CA LYS P 55 -0.918 -7.218 7.276 1.00 1.52 C ATOM 1912 C LYS P 55 -1.730 -8.421 7.775 1.00 1.49 C ATOM 1913 O LYS P 55 -1.172 -9.440 8.194 1.00 1.72 O ATOM 1914 CB LYS P 55 -1.179 -5.957 8.112 1.00 1.59 C ATOM 1915 CG LYS P 55 -1.034 -6.115 9.634 1.00 2.54 C ATOM 1916 CD LYS P 55 -1.568 -4.825 10.270 1.00 3.85 C ATOM 1917 CE LYS P 55 -1.446 -4.770 11.798 1.00 5.07 C ATOM 1918 NZ LYS P 55 -1.735 -3.417 12.312 1.00 6.05 N ATOM 0 H LYS P 55 -1.501 -5.936 5.740 1.00 1.31 H new ATOM 0 HA LYS P 55 0.129 -7.505 7.373 1.00 1.52 H new ATOM 0 HB2 LYS P 55 -0.493 -5.177 7.781 1.00 1.59 H new ATOM 0 HB3 LYS P 55 -2.188 -5.606 7.898 1.00 1.59 H new ATOM 0 HG2 LYS P 55 -1.595 -6.980 9.987 1.00 2.54 H new ATOM 0 HG3 LYS P 55 0.009 -6.277 9.908 1.00 2.54 H new ATOM 0 HD2 LYS P 55 -1.032 -3.977 9.845 1.00 3.85 H new ATOM 0 HD3 LYS P 55 -2.617 -4.708 9.998 1.00 3.85 H new ATOM 0 HE2 LYS P 55 -2.135 -5.486 12.246 1.00 5.07 H new ATOM 0 HE3 LYS P 55 -0.440 -5.067 12.095 1.00 5.07 H new ATOM 0 HZ1 LYS P 55 -1.644 -3.412 13.348 1.00 6.05 H new ATOM 0 HZ2 LYS P 55 -1.061 -2.739 11.902 1.00 6.05 H new ATOM 0 HZ3 LYS P 55 -2.704 -3.145 12.048 1.00 6.05 H new ATOM 1932 N TRP P 56 -3.058 -8.300 7.715 1.00 1.43 N ATOM 1933 CA TRP P 56 -4.050 -9.263 8.190 1.00 1.59 C ATOM 1934 C TRP P 56 -3.726 -10.722 7.837 1.00 1.87 C ATOM 1935 O TRP P 56 -4.141 -11.631 8.567 1.00 2.85 O ATOM 1936 CB TRP P 56 -5.435 -8.797 7.709 1.00 1.42 C ATOM 1937 CG TRP P 56 -6.544 -9.793 7.572 1.00 1.52 C ATOM 1938 CD1 TRP P 56 -7.599 -9.933 8.404 1.00 1.68 C ATOM 1939 CD2 TRP P 56 -6.778 -10.724 6.477 1.00 1.76 C ATOM 1940 NE1 TRP P 56 -8.489 -10.848 7.876 1.00 1.94 N ATOM 1941 CE2 TRP P 56 -8.026 -11.379 6.690 1.00 2.01 C ATOM 1942 CE3 TRP P 56 -6.061 -11.070 5.314 1.00 2.00 C ATOM 1943 CZ2 TRP P 56 -8.536 -12.326 5.789 1.00 2.41 C ATOM 1944 CZ3 TRP P 56 -6.551 -12.031 4.411 1.00 2.44 C ATOM 1945 CH2 TRP P 56 -7.791 -12.655 4.644 1.00 2.62 C ATOM 0 H TRP P 56 -3.495 -7.474 7.307 1.00 1.43 H new ATOM 0 HA TRP P 56 -4.037 -9.278 9.280 1.00 1.59 H new ATOM 0 HB2 TRP P 56 -5.775 -8.023 8.396 1.00 1.42 H new ATOM 0 HB3 TRP P 56 -5.300 -8.323 6.737 1.00 1.42 H new ATOM 0 HD1 TRP P 56 -7.727 -9.409 9.340 1.00 1.68 H new ATOM 0 HE1 TRP P 56 -9.378 -11.100 8.309 1.00 1.94 H new ATOM 0 HE3 TRP P 56 -5.116 -10.588 5.112 1.00 2.00 H new ATOM 0 HZ2 TRP P 56 -9.490 -12.797 5.973 1.00 2.41 H new ATOM 0 HZ3 TRP P 56 -5.974 -12.291 3.536 1.00 2.44 H new ATOM 0 HH2 TRP P 56 -8.169 -13.385 3.944 1.00 2.62 H new