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 50 GLN : amide:sc= 0.92 K(o=1.7,f=0) USER MOD Set 1.2: P 51 ASN : amide:sc= 0.811 K(o=1.7,f=-1.6) USER MOD Set 2.1: P 41 THR OG1 : rot -120:sc= 0.0108 USER MOD Set 2.2: P 44 GLN : amide:sc= 0.823 K(o=0.83,f=-6!) USER MOD Set 3.1: P 9 THR OG1 : rot -17:sc= 0.816 USER MOD Set 3.2: P 12 GLN : amide:sc= 0.987 K(o=1.8,f=-2.3) USER MOD Single : P 7 THR OG1 : rot -31:sc= 0.575 USER MOD Single : P 8 TYR OH : rot 180:sc= -0.52 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 13 THR OG1 : rot 180:sc= 0.145 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= 1.06 K(o=1.1,f=-6.1!) 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 -18:sc= 0.857 USER MOD Single : P 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0453) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 1.207 10.510 8.920 1.00 3.38 N ATOM 1027 CA THR P 7 1.267 9.559 10.016 1.00 3.68 C ATOM 1028 C THR P 7 -0.027 9.682 10.823 1.00 3.43 C ATOM 1029 O THR P 7 -0.349 10.762 11.323 1.00 3.69 O ATOM 1030 CB THR P 7 2.536 9.834 10.841 1.00 4.46 C ATOM 1031 OG1 THR P 7 2.874 11.216 10.821 1.00 4.90 O ATOM 1032 CG2 THR P 7 3.705 9.060 10.229 1.00 5.82 C ATOM 0 HA THR P 7 1.337 8.529 9.668 1.00 3.68 H new ATOM 0 HB THR P 7 2.345 9.524 11.868 1.00 4.46 H new ATOM 0 HG1 THR P 7 2.597 11.608 9.967 1.00 4.90 H new ATOM 0 HG21 THR P 7 4.609 9.249 10.808 1.00 5.82 H new ATOM 0 HG22 THR P 7 3.482 7.993 10.243 1.00 5.82 H new ATOM 0 HG23 THR P 7 3.858 9.386 9.200 1.00 5.82 H new ATOM 1040 N TYR P 8 -0.820 8.614 10.892 1.00 3.07 N ATOM 1041 CA TYR P 8 -2.143 8.678 11.491 1.00 3.00 C ATOM 1042 C TYR P 8 -2.021 8.644 13.007 1.00 3.49 C ATOM 1043 O TYR P 8 -1.408 7.727 13.566 1.00 3.62 O ATOM 1044 CB TYR P 8 -3.021 7.511 11.027 1.00 2.55 C ATOM 1045 CG TYR P 8 -3.495 7.509 9.585 1.00 1.98 C ATOM 1046 CD1 TYR P 8 -3.140 8.525 8.672 1.00 3.10 C ATOM 1047 CD2 TYR P 8 -4.354 6.472 9.177 1.00 2.10 C ATOM 1048 CE1 TYR P 8 -3.564 8.446 7.335 1.00 2.91 C ATOM 1049 CE2 TYR P 8 -4.825 6.427 7.855 1.00 2.12 C ATOM 1050 CZ TYR P 8 -4.376 7.378 6.927 1.00 1.68 C ATOM 1051 OH TYR P 8 -4.788 7.286 5.637 1.00 2.00 O ATOM 0 H TYR P 8 -0.564 7.693 10.538 1.00 3.07 H new ATOM 0 HA TYR P 8 -2.612 9.609 11.174 1.00 3.00 H new ATOM 0 HB2 TYR P 8 -2.468 6.588 11.199 1.00 2.55 H new ATOM 0 HB3 TYR P 8 -3.902 7.479 11.669 1.00 2.55 H new ATOM 0 HD1 TYR P 8 -2.543 9.363 9.001 1.00 3.10 H new ATOM 0 HD2 TYR P 8 -4.651 5.710 9.882 1.00 2.10 H new ATOM 0 HE1 TYR P 8 -3.266 9.204 6.625 1.00 2.91 H new ATOM 0 HE2 TYR P 8 -5.529 5.665 7.555 1.00 2.12 H new ATOM 0 HH TYR P 8 -5.342 6.485 5.527 1.00 2.00 H new ATOM 1061 N THR P 9 -2.657 9.601 13.678 1.00 3.81 N ATOM 1062 CA THR P 9 -3.031 9.409 15.064 1.00 3.98 C ATOM 1063 C THR P 9 -4.084 8.301 15.105 1.00 3.77 C ATOM 1064 O THR P 9 -4.944 8.227 14.225 1.00 3.68 O ATOM 1065 CB THR P 9 -3.560 10.717 15.668 1.00 4.36 C ATOM 1066 OG1 THR P 9 -4.592 11.281 14.877 1.00 4.35 O ATOM 1067 CG2 THR P 9 -2.429 11.741 15.798 1.00 4.72 C ATOM 0 H THR P 9 -2.919 10.505 13.284 1.00 3.81 H new ATOM 0 HA THR P 9 -2.167 9.119 15.662 1.00 3.98 H new ATOM 0 HB THR P 9 -3.963 10.474 16.651 1.00 4.36 H new ATOM 0 HG1 THR P 9 -4.574 10.881 13.982 1.00 4.35 H new ATOM 0 HG21 THR P 9 -2.821 12.663 16.228 1.00 4.72 H new ATOM 0 HG22 THR P 9 -1.649 11.341 16.446 1.00 4.72 H new ATOM 0 HG23 THR P 9 -2.011 11.949 14.813 1.00 4.72 H new ATOM 1075 N ARG P 10 -4.018 7.446 16.121 1.00 4.02 N ATOM 1076 CA ARG P 10 -4.879 6.285 16.266 1.00 3.96 C ATOM 1077 C ARG P 10 -6.351 6.640 16.072 1.00 3.88 C ATOM 1078 O ARG P 10 -7.088 5.857 15.489 1.00 3.59 O ATOM 1079 CB ARG P 10 -4.640 5.610 17.622 1.00 4.34 C ATOM 1080 CG ARG P 10 -3.186 5.159 17.854 1.00 5.82 C ATOM 1081 CD ARG P 10 -2.586 4.366 16.686 1.00 7.01 C ATOM 1082 NE ARG P 10 -3.432 3.221 16.338 1.00 7.02 N ATOM 1083 CZ ARG P 10 -3.234 2.366 15.332 1.00 8.25 C ATOM 1084 NH1 ARG P 10 -2.210 2.564 14.506 1.00 9.85 N ATOM 1085 NH2 ARG P 10 -4.081 1.344 15.166 1.00 8.22 N ATOM 0 H ARG P 10 -3.347 7.547 16.883 1.00 4.02 H new ATOM 0 HA ARG P 10 -4.621 5.577 15.479 1.00 3.96 H new ATOM 0 HB2 ARG P 10 -4.925 6.301 18.415 1.00 4.34 H new ATOM 0 HB3 ARG P 10 -5.295 4.743 17.704 1.00 4.34 H new ATOM 0 HG2 ARG P 10 -2.569 6.038 18.038 1.00 5.82 H new ATOM 0 HG3 ARG P 10 -3.145 4.546 18.755 1.00 5.82 H new ATOM 0 HD2 ARG P 10 -2.475 5.017 15.819 1.00 7.01 H new ATOM 0 HD3 ARG P 10 -1.588 4.018 16.953 1.00 7.01 H new ATOM 0 HE ARG P 10 -4.253 3.062 16.922 1.00 7.02 H new ATOM 0 HH11 ARG P 10 -1.589 3.361 14.646 1.00 9.85 H new ATOM 0 HH12 ARG P 10 -2.046 1.919 13.733 1.00 9.85 H new ATOM 0 HH21 ARG P 10 -4.868 1.225 15.804 1.00 8.22 H new ATOM 0 HH22 ARG P 10 -3.940 0.684 14.401 1.00 8.22 H new ATOM 1099 N TYR P 11 -6.789 7.816 16.529 1.00 4.18 N ATOM 1100 CA TYR P 11 -8.152 8.306 16.322 1.00 4.24 C ATOM 1101 C TYR P 11 -8.682 8.084 14.895 1.00 3.83 C ATOM 1102 O TYR P 11 -9.848 7.730 14.708 1.00 3.82 O ATOM 1103 CB TYR P 11 -8.223 9.794 16.691 1.00 4.59 C ATOM 1104 CG TYR P 11 -9.579 10.419 16.421 1.00 4.71 C ATOM 1105 CD1 TYR P 11 -10.731 9.855 17.001 1.00 4.83 C ATOM 1106 CD2 TYR P 11 -9.714 11.407 15.427 1.00 4.84 C ATOM 1107 CE1 TYR P 11 -12.004 10.200 16.518 1.00 4.89 C ATOM 1108 CE2 TYR P 11 -10.989 11.770 14.965 1.00 4.92 C ATOM 1109 CZ TYR P 11 -12.127 11.111 15.460 1.00 4.85 C ATOM 1110 OH TYR P 11 -13.354 11.415 14.944 1.00 4.96 O ATOM 0 H TYR P 11 -6.201 8.460 17.058 1.00 4.18 H new ATOM 0 HA TYR P 11 -8.799 7.720 16.975 1.00 4.24 H new ATOM 0 HB2 TYR P 11 -7.982 9.910 17.748 1.00 4.59 H new ATOM 0 HB3 TYR P 11 -7.463 10.337 16.129 1.00 4.59 H new ATOM 0 HD1 TYR P 11 -10.636 9.156 17.819 1.00 4.83 H new ATOM 0 HD2 TYR P 11 -8.836 11.886 15.020 1.00 4.84 H new ATOM 0 HE1 TYR P 11 -12.887 9.764 16.961 1.00 4.89 H new ATOM 0 HE2 TYR P 11 -11.095 12.554 14.230 1.00 4.92 H new ATOM 0 HH TYR P 11 -13.252 12.065 14.217 1.00 4.96 H new ATOM 1120 N GLN P 12 -7.847 8.334 13.886 1.00 3.56 N ATOM 1121 CA GLN P 12 -8.232 8.161 12.491 1.00 3.20 C ATOM 1122 C GLN P 12 -8.372 6.660 12.220 1.00 2.85 C ATOM 1123 O GLN P 12 -9.437 6.184 11.838 1.00 2.73 O ATOM 1124 CB GLN P 12 -7.186 8.845 11.590 1.00 3.10 C ATOM 1125 CG GLN P 12 -7.168 10.375 11.791 1.00 3.45 C ATOM 1126 CD GLN P 12 -5.797 10.988 11.510 1.00 3.69 C ATOM 1127 OE1 GLN P 12 -4.830 10.679 12.203 1.00 4.21 O ATOM 1128 NE2 GLN P 12 -5.678 11.884 10.538 1.00 3.75 N ATOM 0 H GLN P 12 -6.889 8.661 14.015 1.00 3.56 H new ATOM 0 HA GLN P 12 -9.191 8.631 12.271 1.00 3.20 H new ATOM 0 HB2 GLN P 12 -6.198 8.438 11.807 1.00 3.10 H new ATOM 0 HB3 GLN P 12 -7.402 8.618 10.546 1.00 3.10 H new ATOM 0 HG2 GLN P 12 -7.908 10.833 11.135 1.00 3.45 H new ATOM 0 HG3 GLN P 12 -7.463 10.607 12.814 1.00 3.45 H new ATOM 0 HE21 GLN P 12 -6.489 12.131 9.970 1.00 3.75 H new ATOM 0 HE22 GLN P 12 -4.776 12.325 10.359 1.00 3.75 H new ATOM 1137 N THR P 13 -7.299 5.912 12.465 1.00 2.91 N ATOM 1138 CA THR P 13 -7.222 4.472 12.283 1.00 2.69 C ATOM 1139 C THR P 13 -8.361 3.715 12.982 1.00 2.84 C ATOM 1140 O THR P 13 -8.819 2.692 12.485 1.00 2.71 O ATOM 1141 CB THR P 13 -5.858 4.022 12.826 1.00 2.80 C ATOM 1142 OG1 THR P 13 -4.879 5.016 12.557 1.00 2.97 O ATOM 1143 CG2 THR P 13 -5.445 2.698 12.192 1.00 2.55 C ATOM 0 H THR P 13 -6.426 6.312 12.809 1.00 2.91 H new ATOM 0 HA THR P 13 -7.328 4.240 11.223 1.00 2.69 H new ATOM 0 HB THR P 13 -5.938 3.882 13.904 1.00 2.80 H new ATOM 0 HG1 THR P 13 -4.012 4.724 12.907 1.00 2.97 H new ATOM 0 HG21 THR P 13 -4.476 2.392 12.587 1.00 2.55 H new ATOM 0 HG22 THR P 13 -6.189 1.936 12.424 1.00 2.55 H new ATOM 0 HG23 THR P 13 -5.375 2.819 11.111 1.00 2.55 H new ATOM 1151 N LEU P 14 -8.785 4.187 14.154 1.00 3.17 N ATOM 1152 CA LEU P 14 -9.691 3.514 15.079 1.00 3.47 C ATOM 1153 C LEU P 14 -10.927 2.968 14.365 1.00 3.34 C ATOM 1154 O LEU P 14 -11.295 1.806 14.555 1.00 3.42 O ATOM 1155 CB LEU P 14 -10.060 4.491 16.215 1.00 3.85 C ATOM 1156 CG LEU P 14 -9.552 4.005 17.580 1.00 4.10 C ATOM 1157 CD1 LEU P 14 -9.276 5.187 18.514 1.00 4.91 C ATOM 1158 CD2 LEU P 14 -10.595 3.079 18.211 1.00 3.97 C ATOM 0 H LEU P 14 -8.488 5.099 14.501 1.00 3.17 H new ATOM 0 HA LEU P 14 -9.189 2.647 15.508 1.00 3.47 H new ATOM 0 HB2 LEU P 14 -9.638 5.473 16.000 1.00 3.85 H new ATOM 0 HB3 LEU P 14 -11.143 4.611 16.253 1.00 3.85 H new ATOM 0 HG LEU P 14 -8.618 3.463 17.431 1.00 4.10 H new ATOM 0 HD11 LEU P 14 -8.917 4.816 19.474 1.00 4.91 H new ATOM 0 HD12 LEU P 14 -8.519 5.833 18.069 1.00 4.91 H new ATOM 0 HD13 LEU P 14 -10.195 5.754 18.664 1.00 4.91 H new ATOM 0 HD21 LEU P 14 -10.236 2.733 19.180 1.00 3.97 H new ATOM 0 HD22 LEU P 14 -11.531 3.622 18.344 1.00 3.97 H new ATOM 0 HD23 LEU P 14 -10.762 2.222 17.559 1.00 3.97 H new ATOM 1170 N GLU P 15 -11.530 3.813 13.527 1.00 3.23 N ATOM 1171 CA GLU P 15 -12.604 3.442 12.620 1.00 3.19 C ATOM 1172 C GLU P 15 -12.219 2.166 11.876 1.00 3.00 C ATOM 1173 O GLU P 15 -12.916 1.145 11.894 1.00 3.26 O ATOM 1174 CB GLU P 15 -12.743 4.596 11.609 1.00 3.46 C ATOM 1175 CG GLU P 15 -13.635 4.277 10.401 1.00 2.59 C ATOM 1176 CD GLU P 15 -15.102 4.446 10.736 1.00 2.99 C ATOM 1177 OE1 GLU P 15 -15.461 5.533 11.237 1.00 3.57 O ATOM 1178 OE2 GLU P 15 -15.885 3.500 10.522 1.00 3.63 O ATOM 0 H GLU P 15 -11.274 4.798 13.463 1.00 3.23 H new ATOM 0 HA GLU P 15 -13.536 3.268 13.158 1.00 3.19 H new ATOM 0 HB2 GLU P 15 -13.148 5.467 12.124 1.00 3.46 H new ATOM 0 HB3 GLU P 15 -11.751 4.870 11.250 1.00 3.46 H new ATOM 0 HG2 GLU P 15 -13.372 4.932 9.570 1.00 2.59 H new ATOM 0 HG3 GLU P 15 -13.451 3.254 10.071 1.00 2.59 H new ATOM 1185 N LEU P 16 -11.127 2.316 11.135 1.00 2.64 N ATOM 1186 CA LEU P 16 -10.713 1.455 10.063 1.00 2.36 C ATOM 1187 C LEU P 16 -10.358 0.074 10.609 1.00 2.52 C ATOM 1188 O LEU P 16 -10.590 -0.922 9.928 1.00 2.54 O ATOM 1189 CB LEU P 16 -9.534 2.095 9.325 1.00 2.08 C ATOM 1190 CG LEU P 16 -9.718 3.525 8.797 1.00 2.12 C ATOM 1191 CD1 LEU P 16 -8.421 3.970 8.108 1.00 1.94 C ATOM 1192 CD2 LEU P 16 -10.857 3.586 7.779 1.00 2.10 C ATOM 0 H LEU P 16 -10.479 3.089 11.285 1.00 2.64 H new ATOM 0 HA LEU P 16 -11.529 1.326 9.352 1.00 2.36 H new ATOM 0 HB2 LEU P 16 -8.676 2.093 9.997 1.00 2.08 H new ATOM 0 HB3 LEU P 16 -9.279 1.455 8.480 1.00 2.08 H new ATOM 0 HG LEU P 16 -9.957 4.179 9.635 1.00 2.12 H new ATOM 0 HD11 LEU P 16 -8.540 4.985 7.729 1.00 1.94 H new ATOM 0 HD12 LEU P 16 -7.601 3.945 8.825 1.00 1.94 H new ATOM 0 HD13 LEU P 16 -8.200 3.297 7.280 1.00 1.94 H new ATOM 0 HD21 LEU P 16 -10.969 4.609 7.419 1.00 2.10 H new ATOM 0 HD22 LEU P 16 -10.630 2.928 6.940 1.00 2.10 H new ATOM 0 HD23 LEU P 16 -11.785 3.264 8.252 1.00 2.10 H new ATOM 1204 N GLU P 17 -9.821 -0.010 11.831 1.00 2.71 N ATOM 1205 CA GLU P 17 -9.586 -1.295 12.474 1.00 2.96 C ATOM 1206 C GLU P 17 -10.881 -2.118 12.525 1.00 3.15 C ATOM 1207 O GLU P 17 -10.887 -3.288 12.136 1.00 3.17 O ATOM 1208 CB GLU P 17 -8.982 -1.119 13.876 1.00 3.22 C ATOM 1209 CG GLU P 17 -7.713 -0.257 13.854 1.00 3.26 C ATOM 1210 CD GLU P 17 -6.862 -0.484 15.083 1.00 3.71 C ATOM 1211 OE1 GLU P 17 -6.050 -1.434 15.082 1.00 4.06 O ATOM 1212 OE2 GLU P 17 -6.968 0.304 16.039 1.00 4.45 O ATOM 0 H GLU P 17 -9.544 0.798 12.389 1.00 2.71 H new ATOM 0 HA GLU P 17 -8.859 -1.843 11.875 1.00 2.96 H new ATOM 0 HB2 GLU P 17 -9.720 -0.660 14.533 1.00 3.22 H new ATOM 0 HB3 GLU P 17 -8.748 -2.098 14.295 1.00 3.22 H new ATOM 0 HG2 GLU P 17 -7.132 -0.488 12.961 1.00 3.26 H new ATOM 0 HG3 GLU P 17 -7.989 0.796 13.792 1.00 3.26 H new ATOM 1219 N LYS P 18 -11.975 -1.516 13.000 1.00 3.31 N ATOM 1220 CA LYS P 18 -13.240 -2.230 13.112 1.00 3.57 C ATOM 1221 C LYS P 18 -13.735 -2.611 11.721 1.00 3.45 C ATOM 1222 O LYS P 18 -14.159 -3.744 11.492 1.00 3.56 O ATOM 1223 CB LYS P 18 -14.309 -1.388 13.809 1.00 3.69 C ATOM 1224 CG LYS P 18 -13.870 -0.798 15.151 1.00 4.41 C ATOM 1225 CD LYS P 18 -15.118 -0.194 15.802 1.00 4.34 C ATOM 1226 CE LYS P 18 -14.793 0.468 17.142 1.00 5.68 C ATOM 1227 NZ LYS P 18 -16.023 0.757 17.903 1.00 5.90 N ATOM 0 H LYS P 18 -12.006 -0.545 13.309 1.00 3.31 H new ATOM 0 HA LYS P 18 -13.065 -3.122 13.713 1.00 3.57 H new ATOM 0 HB2 LYS P 18 -14.603 -0.574 13.146 1.00 3.69 H new ATOM 0 HB3 LYS P 18 -15.194 -2.005 13.968 1.00 3.69 H new ATOM 0 HG2 LYS P 18 -13.437 -1.569 15.788 1.00 4.41 H new ATOM 0 HG3 LYS P 18 -13.104 -0.037 15.006 1.00 4.41 H new ATOM 0 HD2 LYS P 18 -15.559 0.542 15.130 1.00 4.34 H new ATOM 0 HD3 LYS P 18 -15.864 -0.975 15.953 1.00 4.34 H new ATOM 0 HE2 LYS P 18 -14.145 -0.185 17.726 1.00 5.68 H new ATOM 0 HE3 LYS P 18 -14.242 1.393 16.970 1.00 5.68 H new ATOM 0 HZ1 LYS P 18 -15.774 1.206 18.808 1.00 5.90 H new ATOM 0 HZ2 LYS P 18 -16.629 1.399 17.353 1.00 5.90 H new ATOM 0 HZ3 LYS P 18 -16.535 -0.130 18.086 1.00 5.90 H new ATOM 1241 N GLU P 19 -13.698 -1.666 10.783 1.00 3.23 N ATOM 1242 CA GLU P 19 -14.085 -1.952 9.412 1.00 3.12 C ATOM 1243 C GLU P 19 -13.291 -3.140 8.879 1.00 3.02 C ATOM 1244 O GLU P 19 -13.878 -4.030 8.274 1.00 3.04 O ATOM 1245 CB GLU P 19 -13.931 -0.706 8.535 1.00 2.90 C ATOM 1246 CG GLU P 19 -15.075 0.279 8.796 1.00 3.30 C ATOM 1247 CD GLU P 19 -16.358 -0.239 8.182 1.00 3.41 C ATOM 1248 OE1 GLU P 19 -16.510 -0.125 6.949 1.00 3.16 O ATOM 1249 OE2 GLU P 19 -17.183 -0.819 8.920 1.00 4.30 O ATOM 0 H GLU P 19 -13.405 -0.703 10.950 1.00 3.23 H new ATOM 0 HA GLU P 19 -15.139 -2.227 9.387 1.00 3.12 H new ATOM 0 HB2 GLU P 19 -12.975 -0.225 8.741 1.00 2.90 H new ATOM 0 HB3 GLU P 19 -13.923 -0.993 7.483 1.00 2.90 H new ATOM 0 HG2 GLU P 19 -15.207 0.419 9.869 1.00 3.30 H new ATOM 0 HG3 GLU P 19 -14.829 1.254 8.375 1.00 3.30 H new ATOM 1256 N PHE P 20 -11.985 -3.195 9.133 1.00 2.94 N ATOM 1257 CA PHE P 20 -11.158 -4.313 8.715 1.00 2.91 C ATOM 1258 C PHE P 20 -11.608 -5.609 9.385 1.00 3.17 C ATOM 1259 O PHE P 20 -11.628 -6.670 8.764 1.00 3.24 O ATOM 1260 CB PHE P 20 -9.677 -4.034 8.990 1.00 2.78 C ATOM 1261 CG PHE P 20 -8.745 -4.944 8.208 1.00 2.42 C ATOM 1262 CD1 PHE P 20 -8.745 -4.890 6.801 1.00 2.08 C ATOM 1263 CD2 PHE P 20 -7.969 -5.911 8.871 1.00 2.82 C ATOM 1264 CE1 PHE P 20 -7.987 -5.808 6.057 1.00 1.80 C ATOM 1265 CE2 PHE P 20 -7.175 -6.802 8.131 1.00 2.49 C ATOM 1266 CZ PHE P 20 -7.216 -6.777 6.724 1.00 1.69 C ATOM 0 H PHE P 20 -11.477 -2.466 9.633 1.00 2.94 H new ATOM 0 HA PHE P 20 -11.280 -4.436 7.639 1.00 2.91 H new ATOM 0 HB2 PHE P 20 -9.456 -2.996 8.740 1.00 2.78 H new ATOM 0 HB3 PHE P 20 -9.482 -4.154 10.056 1.00 2.78 H new ATOM 0 HD1 PHE P 20 -9.331 -4.139 6.292 1.00 2.08 H new ATOM 0 HD2 PHE P 20 -7.984 -5.969 9.949 1.00 2.82 H new ATOM 0 HE1 PHE P 20 -7.996 -5.770 4.978 1.00 1.80 H new ATOM 0 HE2 PHE P 20 -6.534 -7.506 8.641 1.00 2.49 H new ATOM 0 HZ PHE P 20 -6.654 -7.503 6.156 1.00 1.69 H new ATOM 1276 N HIS P 21 -11.972 -5.548 10.665 1.00 3.41 N ATOM 1277 CA HIS P 21 -12.538 -6.702 11.342 1.00 3.63 C ATOM 1278 C HIS P 21 -13.807 -7.173 10.613 1.00 3.69 C ATOM 1279 O HIS P 21 -14.073 -8.374 10.530 1.00 3.89 O ATOM 1280 CB HIS P 21 -12.776 -6.378 12.825 1.00 3.77 C ATOM 1281 CG HIS P 21 -12.896 -7.615 13.681 1.00 4.24 C ATOM 1282 ND1 HIS P 21 -14.046 -8.112 14.252 1.00 4.64 N ATOM 1283 CD2 HIS P 21 -11.879 -8.482 13.982 1.00 4.80 C ATOM 1284 CE1 HIS P 21 -13.723 -9.259 14.874 1.00 5.04 C ATOM 1285 NE2 HIS P 21 -12.415 -9.532 14.730 1.00 5.08 N ATOM 0 H HIS P 21 -11.884 -4.715 11.247 1.00 3.41 H new ATOM 0 HA HIS P 21 -11.835 -7.534 11.312 1.00 3.63 H new ATOM 0 HB2 HIS P 21 -11.955 -5.764 13.195 1.00 3.77 H new ATOM 0 HB3 HIS P 21 -13.686 -5.785 12.921 1.00 3.77 H new ATOM 0 HD2 HIS P 21 -10.845 -8.373 13.692 1.00 4.80 H new ATOM 0 HE1 HIS P 21 -14.421 -9.879 15.417 1.00 5.04 H new ATOM 0 HE2 HIS P 21 -11.915 -10.343 15.094 1.00 5.08 H new ATOM 1293 N PHE P 22 -14.585 -6.244 10.057 1.00 3.54 N ATOM 1294 CA PHE P 22 -15.804 -6.553 9.317 1.00 3.59 C ATOM 1295 C PHE P 22 -15.526 -7.081 7.909 1.00 3.60 C ATOM 1296 O PHE P 22 -16.176 -8.024 7.460 1.00 3.64 O ATOM 1297 CB PHE P 22 -16.708 -5.312 9.233 1.00 3.47 C ATOM 1298 CG PHE P 22 -18.178 -5.619 9.440 1.00 3.97 C ATOM 1299 CD1 PHE P 22 -18.625 -6.039 10.707 1.00 5.31 C ATOM 1300 CD2 PHE P 22 -19.103 -5.454 8.391 1.00 3.56 C ATOM 1301 CE1 PHE P 22 -19.987 -6.314 10.920 1.00 5.85 C ATOM 1302 CE2 PHE P 22 -20.471 -5.689 8.617 1.00 4.11 C ATOM 1303 CZ PHE P 22 -20.909 -6.147 9.873 1.00 5.10 C ATOM 0 H PHE P 22 -14.382 -5.246 10.110 1.00 3.54 H new ATOM 0 HA PHE P 22 -16.309 -7.346 9.868 1.00 3.59 H new ATOM 0 HB2 PHE P 22 -16.387 -4.588 9.982 1.00 3.47 H new ATOM 0 HB3 PHE P 22 -16.577 -4.842 8.258 1.00 3.47 H new ATOM 0 HD1 PHE P 22 -17.920 -6.150 11.517 1.00 5.31 H new ATOM 0 HD2 PHE P 22 -18.762 -5.147 7.413 1.00 3.56 H new ATOM 0 HE1 PHE P 22 -20.325 -6.654 11.888 1.00 5.85 H new ATOM 0 HE2 PHE P 22 -21.186 -5.518 7.826 1.00 4.11 H new ATOM 0 HZ PHE P 22 -21.954 -6.370 10.032 1.00 5.10 H new ATOM 1313 N ASN P 23 -14.638 -6.415 7.174 1.00 3.60 N ATOM 1314 CA ASN P 23 -14.520 -6.511 5.725 1.00 3.51 C ATOM 1315 C ASN P 23 -13.065 -6.307 5.303 1.00 3.41 C ATOM 1316 O ASN P 23 -12.202 -6.126 6.153 1.00 4.16 O ATOM 1317 CB ASN P 23 -15.458 -5.493 5.061 1.00 3.59 C ATOM 1318 CG ASN P 23 -14.766 -4.178 4.713 1.00 3.80 C ATOM 1319 OD1 ASN P 23 -14.377 -3.970 3.570 1.00 4.31 O ATOM 1320 ND2 ASN P 23 -14.554 -3.295 5.677 1.00 3.99 N ATOM 0 H ASN P 23 -13.960 -5.774 7.586 1.00 3.60 H new ATOM 0 HA ASN P 23 -14.820 -7.506 5.395 1.00 3.51 H new ATOM 0 HB2 ASN P 23 -15.873 -5.929 4.153 1.00 3.59 H new ATOM 0 HB3 ASN P 23 -16.295 -5.290 5.729 1.00 3.59 H new ATOM 0 HD21 ASN P 23 -14.060 -2.426 5.473 1.00 3.99 H new ATOM 0 HD22 ASN P 23 -14.885 -3.484 6.623 1.00 3.99 H new ATOM 1327 N ARG P 24 -12.761 -6.375 4.006 1.00 2.73 N ATOM 1328 CA ARG P 24 -11.414 -6.221 3.480 1.00 2.65 C ATOM 1329 C ARG P 24 -11.284 -4.953 2.635 1.00 2.91 C ATOM 1330 O ARG P 24 -10.340 -4.197 2.855 1.00 3.24 O ATOM 1331 CB ARG P 24 -11.032 -7.441 2.627 1.00 2.25 C ATOM 1332 CG ARG P 24 -10.535 -8.671 3.405 1.00 2.43 C ATOM 1333 CD ARG P 24 -11.570 -9.298 4.344 1.00 2.47 C ATOM 1334 NE ARG P 24 -12.842 -9.580 3.656 1.00 2.77 N ATOM 1335 CZ ARG P 24 -13.961 -10.010 4.255 1.00 3.78 C ATOM 1336 NH1 ARG P 24 -14.044 -10.086 5.580 1.00 4.96 N ATOM 1337 NH2 ARG P 24 -15.021 -10.335 3.522 1.00 4.34 N ATOM 0 H ARG P 24 -13.461 -6.542 3.283 1.00 2.73 H new ATOM 0 HA ARG P 24 -10.738 -6.140 4.331 1.00 2.65 H new ATOM 0 HB2 ARG P 24 -11.900 -7.734 2.036 1.00 2.25 H new ATOM 0 HB3 ARG P 24 -10.255 -7.141 1.924 1.00 2.25 H new ATOM 0 HG2 ARG P 24 -10.208 -9.427 2.691 1.00 2.43 H new ATOM 0 HG3 ARG P 24 -9.661 -8.385 3.990 1.00 2.43 H new ATOM 0 HD2 ARG P 24 -11.170 -10.223 4.759 1.00 2.47 H new ATOM 0 HD3 ARG P 24 -11.753 -8.626 5.182 1.00 2.47 H new ATOM 0 HE ARG P 24 -12.873 -9.437 2.647 1.00 2.77 H new ATOM 0 HH11 ARG P 24 -13.248 -9.815 6.157 1.00 4.96 H new ATOM 0 HH12 ARG P 24 -14.904 -10.416 6.019 1.00 4.96 H new ATOM 0 HH21 ARG P 24 -14.982 -10.257 2.506 1.00 4.34 H new ATOM 0 HH22 ARG P 24 -15.874 -10.663 3.976 1.00 4.34 H new ATOM 1351 N TYR P 25 -12.126 -4.767 1.614 1.00 2.94 N ATOM 1352 CA TYR P 25 -11.869 -3.782 0.564 1.00 3.31 C ATOM 1353 C TYR P 25 -13.035 -2.825 0.294 1.00 2.96 C ATOM 1354 O TYR P 25 -12.907 -1.940 -0.555 1.00 3.87 O ATOM 1355 CB TYR P 25 -11.394 -4.497 -0.704 1.00 3.83 C ATOM 1356 CG TYR P 25 -12.438 -5.279 -1.473 1.00 2.84 C ATOM 1357 CD1 TYR P 25 -13.203 -4.624 -2.458 1.00 3.42 C ATOM 1358 CD2 TYR P 25 -12.541 -6.675 -1.320 1.00 3.36 C ATOM 1359 CE1 TYR P 25 -14.052 -5.362 -3.295 1.00 4.30 C ATOM 1360 CE2 TYR P 25 -13.362 -7.418 -2.188 1.00 3.85 C ATOM 1361 CZ TYR P 25 -14.099 -6.761 -3.187 1.00 4.26 C ATOM 1362 OH TYR P 25 -14.873 -7.454 -4.066 1.00 5.68 O ATOM 0 H TYR P 25 -12.994 -5.289 1.494 1.00 2.94 H new ATOM 0 HA TYR P 25 -11.076 -3.128 0.927 1.00 3.31 H new ATOM 0 HB2 TYR P 25 -10.964 -3.753 -1.374 1.00 3.83 H new ATOM 0 HB3 TYR P 25 -10.591 -5.180 -0.429 1.00 3.83 H new ATOM 0 HD1 TYR P 25 -13.135 -3.552 -2.569 1.00 3.42 H new ATOM 0 HD2 TYR P 25 -11.990 -7.175 -0.537 1.00 3.36 H new ATOM 0 HE1 TYR P 25 -14.669 -4.855 -4.022 1.00 4.30 H new ATOM 0 HE2 TYR P 25 -13.425 -8.491 -2.086 1.00 3.85 H new ATOM 0 HH TYR P 25 -14.808 -8.413 -3.873 1.00 5.68 H new ATOM 1372 N LEU P 26 -14.134 -2.936 1.038 1.00 3.06 N ATOM 1373 CA LEU P 26 -15.280 -2.038 0.993 1.00 3.11 C ATOM 1374 C LEU P 26 -15.963 -2.040 -0.379 1.00 3.30 C ATOM 1375 O LEU P 26 -15.523 -2.709 -1.319 1.00 3.58 O ATOM 1376 CB LEU P 26 -14.892 -0.609 1.428 1.00 2.96 C ATOM 1377 CG LEU P 26 -14.490 -0.490 2.907 1.00 3.07 C ATOM 1378 CD1 LEU P 26 -13.029 -0.854 3.183 1.00 2.87 C ATOM 1379 CD2 LEU P 26 -14.672 0.961 3.355 1.00 3.07 C ATOM 0 H LEU P 26 -14.252 -3.688 1.717 1.00 3.06 H new ATOM 0 HA LEU P 26 -16.009 -2.417 1.709 1.00 3.11 H new ATOM 0 HB2 LEU P 26 -14.064 -0.265 0.809 1.00 2.96 H new ATOM 0 HB3 LEU P 26 -15.732 0.058 1.236 1.00 2.96 H new ATOM 0 HG LEU P 26 -15.125 -1.191 3.448 1.00 3.07 H new ATOM 0 HD11 LEU P 26 -12.822 -0.745 4.248 1.00 2.87 H new ATOM 0 HD12 LEU P 26 -12.848 -1.886 2.881 1.00 2.87 H new ATOM 0 HD13 LEU P 26 -12.375 -0.190 2.617 1.00 2.87 H new ATOM 0 HD21 LEU P 26 -14.389 1.056 4.403 1.00 3.07 H new ATOM 0 HD22 LEU P 26 -14.041 1.611 2.749 1.00 3.07 H new ATOM 0 HD23 LEU P 26 -15.715 1.251 3.233 1.00 3.07 H new ATOM 1391 N THR P 27 -17.053 -1.285 -0.484 1.00 3.39 N ATOM 1392 CA THR P 27 -17.590 -0.802 -1.745 1.00 3.45 C ATOM 1393 C THR P 27 -17.078 0.631 -1.923 1.00 3.45 C ATOM 1394 O THR P 27 -16.945 1.360 -0.934 1.00 3.68 O ATOM 1395 CB THR P 27 -19.124 -0.876 -1.690 1.00 3.67 C ATOM 1396 OG1 THR P 27 -19.500 -2.230 -1.536 1.00 4.25 O ATOM 1397 CG2 THR P 27 -19.797 -0.331 -2.952 1.00 3.35 C ATOM 0 H THR P 27 -17.597 -0.987 0.326 1.00 3.39 H new ATOM 0 HA THR P 27 -17.271 -1.402 -2.597 1.00 3.45 H new ATOM 0 HB THR P 27 -19.450 -0.259 -0.853 1.00 3.67 H new ATOM 0 HG1 THR P 27 -20.477 -2.296 -1.497 1.00 4.25 H new ATOM 0 HG21 THR P 27 -20.879 -0.411 -2.851 1.00 3.35 H new ATOM 0 HG22 THR P 27 -19.522 0.715 -3.088 1.00 3.35 H new ATOM 0 HG23 THR P 27 -19.470 -0.908 -3.817 1.00 3.35 H new ATOM 1405 N ARG P 28 -16.816 1.029 -3.169 1.00 3.41 N ATOM 1406 CA ARG P 28 -16.313 2.347 -3.552 1.00 3.35 C ATOM 1407 C ARG P 28 -17.021 3.456 -2.761 1.00 3.37 C ATOM 1408 O ARG P 28 -16.370 4.249 -2.084 1.00 3.52 O ATOM 1409 CB ARG P 28 -16.445 2.517 -5.079 1.00 3.46 C ATOM 1410 CG ARG P 28 -15.281 3.270 -5.731 1.00 3.34 C ATOM 1411 CD ARG P 28 -15.387 4.793 -5.598 1.00 4.17 C ATOM 1412 NE ARG P 28 -16.593 5.353 -6.250 1.00 4.85 N ATOM 1413 CZ ARG P 28 -16.585 6.050 -7.403 1.00 4.94 C ATOM 1414 NH1 ARG P 28 -15.571 5.927 -8.256 1.00 4.80 N ATOM 1415 NH2 ARG P 28 -17.597 6.859 -7.710 1.00 5.67 N ATOM 0 H ARG P 28 -16.955 0.415 -3.972 1.00 3.41 H new ATOM 0 HA ARG P 28 -15.256 2.429 -3.299 1.00 3.35 H new ATOM 0 HB2 ARG P 28 -16.527 1.531 -5.537 1.00 3.46 H new ATOM 0 HB3 ARG P 28 -17.372 3.047 -5.295 1.00 3.46 H new ATOM 0 HG2 ARG P 28 -14.346 2.938 -5.280 1.00 3.34 H new ATOM 0 HG3 ARG P 28 -15.236 3.008 -6.788 1.00 3.34 H new ATOM 0 HD2 ARG P 28 -15.397 5.059 -4.541 1.00 4.17 H new ATOM 0 HD3 ARG P 28 -14.500 5.252 -6.034 1.00 4.17 H new ATOM 0 HE ARG P 28 -17.493 5.200 -5.794 1.00 4.85 H new ATOM 0 HH11 ARG P 28 -14.794 5.303 -8.038 1.00 4.80 H new ATOM 0 HH12 ARG P 28 -15.570 6.457 -9.127 1.00 4.80 H new ATOM 0 HH21 ARG P 28 -18.386 6.954 -7.070 1.00 5.67 H new ATOM 0 HH22 ARG P 28 -17.583 7.383 -8.585 1.00 5.67 H new ATOM 1429 N ARG P 29 -18.357 3.459 -2.771 1.00 3.55 N ATOM 1430 CA ARG P 29 -19.175 4.361 -1.966 1.00 3.74 C ATOM 1431 C ARG P 29 -18.626 4.506 -0.546 1.00 3.50 C ATOM 1432 O ARG P 29 -18.209 5.587 -0.141 1.00 3.58 O ATOM 1433 CB ARG P 29 -20.620 3.854 -1.942 1.00 4.68 C ATOM 1434 CG ARG P 29 -21.616 4.857 -1.345 1.00 5.84 C ATOM 1435 CD ARG P 29 -21.896 6.035 -2.291 1.00 5.51 C ATOM 1436 NE ARG P 29 -21.281 7.294 -1.831 1.00 6.08 N ATOM 1437 CZ ARG P 29 -20.584 8.150 -2.604 1.00 6.17 C ATOM 1438 NH1 ARG P 29 -20.028 7.748 -3.750 1.00 6.24 N ATOM 1439 NH2 ARG P 29 -20.456 9.418 -2.214 1.00 6.94 N ATOM 0 H ARG P 29 -18.906 2.823 -3.349 1.00 3.55 H new ATOM 0 HA ARG P 29 -19.147 5.351 -2.421 1.00 3.74 H new ATOM 0 HB2 ARG P 29 -20.928 3.612 -2.959 1.00 4.68 H new ATOM 0 HB3 ARG P 29 -20.661 2.929 -1.368 1.00 4.68 H new ATOM 0 HG2 ARG P 29 -22.552 4.346 -1.119 1.00 5.84 H new ATOM 0 HG3 ARG P 29 -21.224 5.237 -0.402 1.00 5.84 H new ATOM 0 HD2 ARG P 29 -21.520 5.794 -3.285 1.00 5.51 H new ATOM 0 HD3 ARG P 29 -22.973 6.174 -2.382 1.00 5.51 H new ATOM 0 HE ARG P 29 -21.392 7.537 -0.847 1.00 6.08 H new ATOM 0 HH11 ARG P 29 -20.128 6.779 -4.053 1.00 6.24 H new ATOM 0 HH12 ARG P 29 -19.504 8.410 -4.322 1.00 6.24 H new ATOM 0 HH21 ARG P 29 -20.883 9.729 -1.341 1.00 6.94 H new ATOM 0 HH22 ARG P 29 -19.931 10.078 -2.788 1.00 6.94 H new ATOM 1453 N ARG P 30 -18.622 3.427 0.236 1.00 3.60 N ATOM 1454 CA ARG P 30 -18.173 3.517 1.618 1.00 3.44 C ATOM 1455 C ARG P 30 -16.732 4.013 1.697 1.00 3.06 C ATOM 1456 O ARG P 30 -16.422 4.781 2.596 1.00 3.01 O ATOM 1457 CB ARG P 30 -18.323 2.183 2.360 1.00 3.68 C ATOM 1458 CG ARG P 30 -19.774 1.798 2.681 1.00 3.68 C ATOM 1459 CD ARG P 30 -20.514 2.850 3.528 1.00 3.65 C ATOM 1460 NE ARG P 30 -19.725 3.276 4.698 1.00 3.40 N ATOM 1461 CZ ARG P 30 -19.795 4.456 5.338 1.00 3.67 C ATOM 1462 NH1 ARG P 30 -20.649 5.417 4.984 1.00 4.08 N ATOM 1463 NH2 ARG P 30 -18.966 4.663 6.352 1.00 4.35 N ATOM 0 H ARG P 30 -18.920 2.497 -0.060 1.00 3.60 H new ATOM 0 HA ARG P 30 -18.817 4.243 2.113 1.00 3.44 H new ATOM 0 HB2 ARG P 30 -17.875 1.393 1.757 1.00 3.68 H new ATOM 0 HB3 ARG P 30 -17.758 2.233 3.291 1.00 3.68 H new ATOM 0 HG2 ARG P 30 -20.317 1.647 1.748 1.00 3.68 H new ATOM 0 HG3 ARG P 30 -19.780 0.846 3.211 1.00 3.68 H new ATOM 0 HD2 ARG P 30 -20.741 3.718 2.909 1.00 3.65 H new ATOM 0 HD3 ARG P 30 -21.466 2.440 3.864 1.00 3.65 H new ATOM 0 HE ARG P 30 -19.052 2.601 5.062 1.00 3.40 H new ATOM 0 HH11 ARG P 30 -21.284 5.272 4.199 1.00 4.08 H new ATOM 0 HH12 ARG P 30 -20.668 6.298 5.498 1.00 4.08 H new ATOM 0 HH21 ARG P 30 -18.302 3.938 6.624 1.00 4.35 H new ATOM 0 HH22 ARG P 30 -18.992 5.547 6.860 1.00 4.35 H new ATOM 1477 N ARG P 31 -15.851 3.615 0.777 1.00 2.85 N ATOM 1478 CA ARG P 31 -14.497 4.109 0.745 1.00 2.53 C ATOM 1479 C ARG P 31 -14.489 5.642 0.688 1.00 2.46 C ATOM 1480 O ARG P 31 -13.737 6.285 1.420 1.00 2.30 O ATOM 1481 CB ARG P 31 -13.792 3.470 -0.454 1.00 2.50 C ATOM 1482 CG ARG P 31 -12.283 3.596 -0.322 1.00 2.37 C ATOM 1483 CD ARG P 31 -11.617 2.247 -0.031 1.00 2.48 C ATOM 1484 NE ARG P 31 -11.711 1.366 -1.204 1.00 2.21 N ATOM 1485 CZ ARG P 31 -11.040 0.220 -1.363 1.00 3.28 C ATOM 1486 NH1 ARG P 31 -10.348 -0.301 -0.343 1.00 4.78 N ATOM 1487 NH2 ARG P 31 -11.034 -0.367 -2.550 1.00 3.86 N ATOM 0 H ARG P 31 -16.067 2.943 0.041 1.00 2.85 H new ATOM 0 HA ARG P 31 -13.959 3.837 1.653 1.00 2.53 H new ATOM 0 HB2 ARG P 31 -14.069 2.418 -0.526 1.00 2.50 H new ATOM 0 HB3 ARG P 31 -14.123 3.951 -1.375 1.00 2.50 H new ATOM 0 HG2 ARG P 31 -11.872 4.012 -1.242 1.00 2.37 H new ATOM 0 HG3 ARG P 31 -12.046 4.297 0.478 1.00 2.37 H new ATOM 0 HD2 ARG P 31 -10.571 2.400 0.234 1.00 2.48 H new ATOM 0 HD3 ARG P 31 -12.097 1.775 0.826 1.00 2.48 H new ATOM 0 HE ARG P 31 -12.338 1.651 -1.956 1.00 2.21 H new ATOM 0 HH11 ARG P 31 -10.331 0.176 0.558 1.00 4.78 H new ATOM 0 HH12 ARG P 31 -9.837 -1.175 -0.467 1.00 4.78 H new ATOM 0 HH21 ARG P 31 -11.537 0.055 -3.330 1.00 3.86 H new ATOM 0 HH22 ARG P 31 -10.526 -1.241 -2.684 1.00 3.86 H new ATOM 1501 N ILE P 32 -15.317 6.236 -0.169 1.00 2.65 N ATOM 1502 CA ILE P 32 -15.446 7.688 -0.262 1.00 2.62 C ATOM 1503 C ILE P 32 -15.970 8.236 1.066 1.00 2.64 C ATOM 1504 O ILE P 32 -15.415 9.178 1.623 1.00 2.51 O ATOM 1505 CB ILE P 32 -16.371 8.063 -1.437 1.00 2.87 C ATOM 1506 CG1 ILE P 32 -15.673 7.692 -2.752 1.00 2.94 C ATOM 1507 CG2 ILE P 32 -16.723 9.557 -1.432 1.00 2.85 C ATOM 1508 CD1 ILE P 32 -16.611 7.780 -3.949 1.00 3.16 C ATOM 0 H ILE P 32 -15.916 5.725 -0.817 1.00 2.65 H new ATOM 0 HA ILE P 32 -14.471 8.136 -0.456 1.00 2.62 H new ATOM 0 HB ILE P 32 -17.305 7.511 -1.333 1.00 2.87 H new ATOM 0 HG12 ILE P 32 -14.823 8.356 -2.910 1.00 2.94 H new ATOM 0 HG13 ILE P 32 -15.277 6.679 -2.677 1.00 2.94 H new ATOM 0 HG21 ILE P 32 -17.376 9.780 -2.276 1.00 2.85 H new ATOM 0 HG22 ILE P 32 -17.233 9.807 -0.502 1.00 2.85 H new ATOM 0 HG23 ILE P 32 -15.810 10.146 -1.515 1.00 2.85 H new ATOM 0 HD11 ILE P 32 -16.070 7.508 -4.856 1.00 3.16 H new ATOM 0 HD12 ILE P 32 -17.448 7.096 -3.807 1.00 3.16 H new ATOM 0 HD13 ILE P 32 -16.987 8.799 -4.042 1.00 3.16 H new ATOM 1520 N GLU P 33 -17.061 7.674 1.577 1.00 2.84 N ATOM 1521 CA GLU P 33 -17.702 8.216 2.765 1.00 2.94 C ATOM 1522 C GLU P 33 -16.763 8.176 3.978 1.00 2.79 C ATOM 1523 O GLU P 33 -16.643 9.172 4.683 1.00 2.78 O ATOM 1524 CB GLU P 33 -19.055 7.531 2.966 1.00 3.23 C ATOM 1525 CG GLU P 33 -19.895 7.799 1.706 1.00 3.38 C ATOM 1526 CD GLU P 33 -21.327 7.356 1.790 1.00 3.87 C ATOM 1527 OE1 GLU P 33 -21.700 6.634 2.740 1.00 5.03 O ATOM 1528 OE2 GLU P 33 -22.066 7.762 0.867 1.00 3.75 O ATOM 0 H GLU P 33 -17.516 6.848 1.188 1.00 2.84 H new ATOM 0 HA GLU P 33 -17.913 9.277 2.633 1.00 2.94 H new ATOM 0 HB2 GLU P 33 -18.924 6.460 3.120 1.00 3.23 H new ATOM 0 HB3 GLU P 33 -19.556 7.922 3.852 1.00 3.23 H new ATOM 0 HG2 GLU P 33 -19.873 8.868 1.494 1.00 3.38 H new ATOM 0 HG3 GLU P 33 -19.424 7.297 0.861 1.00 3.38 H new ATOM 1535 N ILE P 34 -16.052 7.066 4.162 1.00 2.68 N ATOM 1536 CA ILE P 34 -14.912 6.935 5.064 1.00 2.46 C ATOM 1537 C ILE P 34 -13.951 8.102 4.833 1.00 2.17 C ATOM 1538 O ILE P 34 -13.647 8.861 5.749 1.00 2.16 O ATOM 1539 CB ILE P 34 -14.227 5.575 4.800 1.00 2.26 C ATOM 1540 CG1 ILE P 34 -15.100 4.404 5.275 1.00 2.82 C ATOM 1541 CG2 ILE P 34 -12.810 5.472 5.386 1.00 1.93 C ATOM 1542 CD1 ILE P 34 -14.824 4.029 6.727 1.00 3.20 C ATOM 0 H ILE P 34 -16.263 6.200 3.667 1.00 2.68 H new ATOM 0 HA ILE P 34 -15.234 6.965 6.105 1.00 2.46 H new ATOM 0 HB ILE P 34 -14.114 5.511 3.718 1.00 2.26 H new ATOM 0 HG12 ILE P 34 -16.151 4.669 5.164 1.00 2.82 H new ATOM 0 HG13 ILE P 34 -14.921 3.538 4.638 1.00 2.82 H new ATOM 0 HG21 ILE P 34 -12.394 4.490 5.161 1.00 1.93 H new ATOM 0 HG22 ILE P 34 -12.178 6.244 4.947 1.00 1.93 H new ATOM 0 HG23 ILE P 34 -12.852 5.609 6.467 1.00 1.93 H new ATOM 0 HD11 ILE P 34 -15.465 3.196 7.016 1.00 3.20 H new ATOM 0 HD12 ILE P 34 -13.779 3.737 6.835 1.00 3.20 H new ATOM 0 HD13 ILE P 34 -15.029 4.885 7.369 1.00 3.20 H new ATOM 1554 N ALA P 35 -13.460 8.227 3.599 1.00 1.97 N ATOM 1555 CA ALA P 35 -12.509 9.267 3.215 1.00 1.73 C ATOM 1556 C ALA P 35 -12.958 10.649 3.699 1.00 1.85 C ATOM 1557 O ALA P 35 -12.183 11.349 4.341 1.00 1.82 O ATOM 1558 CB ALA P 35 -12.222 9.247 1.705 1.00 1.65 C ATOM 0 H ALA P 35 -13.714 7.603 2.833 1.00 1.97 H new ATOM 0 HA ALA P 35 -11.567 9.046 3.717 1.00 1.73 H new ATOM 0 HB1 ALA P 35 -11.510 10.035 1.459 1.00 1.65 H new ATOM 0 HB2 ALA P 35 -11.803 8.280 1.427 1.00 1.65 H new ATOM 0 HB3 ALA P 35 -13.149 9.411 1.156 1.00 1.65 H new ATOM 1564 N HIS P 36 -14.192 11.059 3.405 1.00 2.03 N ATOM 1565 CA HIS P 36 -14.690 12.365 3.829 1.00 2.13 C ATOM 1566 C HIS P 36 -14.866 12.434 5.347 1.00 2.24 C ATOM 1567 O HIS P 36 -14.520 13.439 5.968 1.00 2.20 O ATOM 1568 CB HIS P 36 -16.003 12.692 3.113 1.00 2.30 C ATOM 1569 CG HIS P 36 -15.786 13.232 1.726 1.00 2.30 C ATOM 1570 ND1 HIS P 36 -15.765 14.563 1.373 1.00 2.40 N ATOM 1571 CD2 HIS P 36 -15.543 12.500 0.597 1.00 2.40 C ATOM 1572 CE1 HIS P 36 -15.543 14.623 0.052 1.00 2.45 C ATOM 1573 NE2 HIS P 36 -15.427 13.388 -0.474 1.00 2.46 N ATOM 0 H HIS P 36 -14.864 10.505 2.875 1.00 2.03 H new ATOM 0 HA HIS P 36 -13.946 13.113 3.553 1.00 2.13 H new ATOM 0 HB2 HIS P 36 -16.616 11.792 3.057 1.00 2.30 H new ATOM 0 HB3 HIS P 36 -16.561 13.422 3.700 1.00 2.30 H new ATOM 0 HD2 HIS P 36 -15.456 11.425 0.543 1.00 2.40 H new ATOM 0 HE1 HIS P 36 -15.467 15.539 -0.515 1.00 2.45 H new ATOM 0 HE2 HIS P 36 -15.284 13.150 -1.455 1.00 2.46 H new ATOM 1581 N ALA P 37 -15.438 11.390 5.943 1.00 2.41 N ATOM 1582 CA ALA P 37 -15.727 11.329 7.368 1.00 2.58 C ATOM 1583 C ALA P 37 -14.445 11.531 8.175 1.00 2.49 C ATOM 1584 O ALA P 37 -14.374 12.419 9.020 1.00 2.64 O ATOM 1585 CB ALA P 37 -16.389 9.989 7.699 1.00 2.72 C ATOM 0 H ALA P 37 -15.717 10.549 5.437 1.00 2.41 H new ATOM 0 HA ALA P 37 -16.417 12.129 7.636 1.00 2.58 H new ATOM 0 HB1 ALA P 37 -16.605 9.944 8.766 1.00 2.72 H new ATOM 0 HB2 ALA P 37 -17.318 9.893 7.136 1.00 2.72 H new ATOM 0 HB3 ALA P 37 -15.716 9.175 7.430 1.00 2.72 H new ATOM 1591 N LEU P 38 -13.421 10.730 7.893 1.00 2.29 N ATOM 1592 CA LEU P 38 -12.111 10.865 8.513 1.00 2.23 C ATOM 1593 C LEU P 38 -11.384 12.109 7.996 1.00 2.06 C ATOM 1594 O LEU P 38 -10.501 12.633 8.678 1.00 2.11 O ATOM 1595 CB LEU P 38 -11.277 9.606 8.252 1.00 2.08 C ATOM 1596 CG LEU P 38 -11.910 8.314 8.796 1.00 2.23 C ATOM 1597 CD1 LEU P 38 -10.990 7.136 8.472 1.00 2.09 C ATOM 1598 CD2 LEU P 38 -12.123 8.362 10.313 1.00 2.64 C ATOM 0 H LEU P 38 -13.480 9.964 7.222 1.00 2.29 H new ATOM 0 HA LEU P 38 -12.248 10.982 9.588 1.00 2.23 H new ATOM 0 HB2 LEU P 38 -11.124 9.500 7.178 1.00 2.08 H new ATOM 0 HB3 LEU P 38 -10.293 9.734 8.703 1.00 2.08 H new ATOM 0 HG LEU P 38 -12.885 8.201 8.323 1.00 2.23 H new ATOM 0 HD11 LEU P 38 -11.430 6.215 8.854 1.00 2.09 H new ATOM 0 HD12 LEU P 38 -10.865 7.058 7.392 1.00 2.09 H new ATOM 0 HD13 LEU P 38 -10.018 7.294 8.939 1.00 2.09 H new ATOM 0 HD21 LEU P 38 -12.572 7.427 10.647 1.00 2.64 H new ATOM 0 HD22 LEU P 38 -11.164 8.502 10.811 1.00 2.64 H new ATOM 0 HD23 LEU P 38 -12.785 9.191 10.561 1.00 2.64 H new ATOM 1610 N SER P 39 -11.731 12.559 6.790 1.00 1.92 N ATOM 1611 CA SER P 39 -11.086 13.655 6.086 1.00 1.78 C ATOM 1612 C SER P 39 -9.649 13.256 5.745 1.00 1.60 C ATOM 1613 O SER P 39 -8.680 13.821 6.249 1.00 1.62 O ATOM 1614 CB SER P 39 -11.240 14.971 6.858 1.00 1.93 C ATOM 1615 OG SER P 39 -12.609 15.136 7.216 1.00 2.14 O ATOM 0 H SER P 39 -12.501 12.150 6.260 1.00 1.92 H new ATOM 0 HA SER P 39 -11.578 13.850 5.133 1.00 1.78 H new ATOM 0 HB2 SER P 39 -10.615 14.960 7.751 1.00 1.93 H new ATOM 0 HB3 SER P 39 -10.906 15.809 6.246 1.00 1.93 H new ATOM 0 HG SER P 39 -13.165 14.552 6.660 1.00 2.14 H new ATOM 1621 N LEU P 40 -9.545 12.220 4.916 1.00 1.52 N ATOM 1622 CA LEU P 40 -8.330 11.647 4.366 1.00 1.38 C ATOM 1623 C LEU P 40 -8.562 11.519 2.861 1.00 1.33 C ATOM 1624 O LEU P 40 -9.702 11.594 2.401 1.00 1.61 O ATOM 1625 CB LEU P 40 -8.095 10.261 4.985 1.00 1.33 C ATOM 1626 CG LEU P 40 -7.876 10.279 6.507 1.00 1.43 C ATOM 1627 CD1 LEU P 40 -7.933 8.846 7.049 1.00 1.46 C ATOM 1628 CD2 LEU P 40 -6.521 10.897 6.871 1.00 1.55 C ATOM 0 H LEU P 40 -10.375 11.725 4.589 1.00 1.52 H new ATOM 0 HA LEU P 40 -7.457 12.265 4.578 1.00 1.38 H new ATOM 0 HB2 LEU P 40 -8.951 9.625 4.760 1.00 1.33 H new ATOM 0 HB3 LEU P 40 -7.226 9.806 4.510 1.00 1.33 H new ATOM 0 HG LEU P 40 -8.663 10.887 6.953 1.00 1.43 H new ATOM 0 HD11 LEU P 40 -7.778 8.859 8.128 1.00 1.46 H new ATOM 0 HD12 LEU P 40 -8.908 8.412 6.828 1.00 1.46 H new ATOM 0 HD13 LEU P 40 -7.154 8.247 6.577 1.00 1.46 H new ATOM 0 HD21 LEU P 40 -6.399 10.894 7.954 1.00 1.55 H new ATOM 0 HD22 LEU P 40 -5.721 10.315 6.414 1.00 1.55 H new ATOM 0 HD23 LEU P 40 -6.478 11.922 6.504 1.00 1.55 H new ATOM 1640 N THR P 41 -7.507 11.317 2.077 1.00 1.18 N ATOM 1641 CA THR P 41 -7.625 11.169 0.634 1.00 1.17 C ATOM 1642 C THR P 41 -8.145 9.771 0.274 1.00 1.00 C ATOM 1643 O THR P 41 -7.939 8.797 1.000 1.00 0.92 O ATOM 1644 CB THR P 41 -6.288 11.506 -0.049 1.00 1.29 C ATOM 1645 OG1 THR P 41 -5.207 10.825 0.561 1.00 1.35 O ATOM 1646 CG2 THR P 41 -6.025 13.013 0.020 1.00 1.75 C ATOM 0 H THR P 41 -6.550 11.252 2.425 1.00 1.18 H new ATOM 0 HA THR P 41 -8.361 11.880 0.257 1.00 1.17 H new ATOM 0 HB THR P 41 -6.363 11.185 -1.088 1.00 1.29 H new ATOM 0 HG1 THR P 41 -4.562 11.477 0.905 1.00 1.35 H new ATOM 0 HG21 THR P 41 -5.076 13.239 -0.466 1.00 1.75 H new ATOM 0 HG22 THR P 41 -6.829 13.546 -0.487 1.00 1.75 H new ATOM 0 HG23 THR P 41 -5.982 13.328 1.063 1.00 1.75 H new ATOM 1654 N GLU P 42 -8.807 9.654 -0.876 1.00 1.08 N ATOM 1655 CA GLU P 42 -9.271 8.376 -1.393 1.00 1.07 C ATOM 1656 C GLU P 42 -8.068 7.452 -1.595 1.00 0.86 C ATOM 1657 O GLU P 42 -8.120 6.281 -1.218 1.00 0.75 O ATOM 1658 CB GLU P 42 -10.063 8.610 -2.683 1.00 1.39 C ATOM 1659 CG GLU P 42 -11.309 9.459 -2.376 1.00 2.15 C ATOM 1660 CD GLU P 42 -12.217 9.627 -3.573 1.00 3.17 C ATOM 1661 OE1 GLU P 42 -12.346 8.642 -4.332 1.00 3.83 O ATOM 1662 OE2 GLU P 42 -12.805 10.717 -3.712 1.00 4.16 O ATOM 0 H GLU P 42 -9.035 10.448 -1.474 1.00 1.08 H new ATOM 0 HA GLU P 42 -9.942 7.888 -0.687 1.00 1.07 H new ATOM 0 HB2 GLU P 42 -9.438 9.116 -3.419 1.00 1.39 H new ATOM 0 HB3 GLU P 42 -10.359 7.656 -3.118 1.00 1.39 H new ATOM 0 HG2 GLU P 42 -11.869 8.994 -1.565 1.00 2.15 H new ATOM 0 HG3 GLU P 42 -10.995 10.442 -2.024 1.00 2.15 H new ATOM 1669 N ARG P 43 -6.978 8.017 -2.132 1.00 0.91 N ATOM 1670 CA ARG P 43 -5.637 7.441 -2.110 1.00 0.82 C ATOM 1671 C ARG P 43 -5.417 6.731 -0.780 1.00 0.67 C ATOM 1672 O ARG P 43 -5.379 5.507 -0.708 1.00 0.62 O ATOM 1673 CB ARG P 43 -4.600 8.572 -2.303 1.00 0.98 C ATOM 1674 CG ARG P 43 -3.120 8.153 -2.213 1.00 1.15 C ATOM 1675 CD ARG P 43 -2.293 8.945 -1.181 1.00 1.32 C ATOM 1676 NE ARG P 43 -2.489 10.404 -1.291 1.00 1.89 N ATOM 1677 CZ ARG P 43 -2.085 11.323 -0.395 1.00 2.32 C ATOM 1678 NH1 ARG P 43 -1.433 10.959 0.710 1.00 3.00 N ATOM 1679 NH2 ARG P 43 -2.355 12.607 -0.619 1.00 3.31 N ATOM 0 H ARG P 43 -7.013 8.918 -2.609 1.00 0.91 H new ATOM 0 HA ARG P 43 -5.523 6.716 -2.916 1.00 0.82 H new ATOM 0 HB2 ARG P 43 -4.769 9.030 -3.277 1.00 0.98 H new ATOM 0 HB3 ARG P 43 -4.786 9.340 -1.553 1.00 0.98 H new ATOM 0 HG2 ARG P 43 -3.070 7.093 -1.963 1.00 1.15 H new ATOM 0 HG3 ARG P 43 -2.662 8.271 -3.195 1.00 1.15 H new ATOM 0 HD2 ARG P 43 -2.566 8.621 -0.177 1.00 1.32 H new ATOM 0 HD3 ARG P 43 -1.236 8.714 -1.314 1.00 1.32 H new ATOM 0 HE ARG P 43 -2.974 10.746 -2.120 1.00 1.89 H new ATOM 0 HH11 ARG P 43 -1.235 9.974 0.884 1.00 3.00 H new ATOM 0 HH12 ARG P 43 -1.132 11.666 1.381 1.00 3.00 H new ATOM 0 HH21 ARG P 43 -2.862 12.882 -1.460 1.00 3.31 H new ATOM 0 HH22 ARG P 43 -2.055 13.316 0.051 1.00 3.31 H new ATOM 1693 N GLN P 44 -5.277 7.517 0.278 1.00 0.71 N ATOM 1694 CA GLN P 44 -4.954 7.028 1.599 1.00 0.72 C ATOM 1695 C GLN P 44 -5.867 5.883 2.026 1.00 0.67 C ATOM 1696 O GLN P 44 -5.368 4.856 2.471 1.00 0.74 O ATOM 1697 CB GLN P 44 -5.092 8.211 2.570 1.00 0.88 C ATOM 1698 CG GLN P 44 -3.758 8.903 2.859 1.00 1.21 C ATOM 1699 CD GLN P 44 -3.924 10.330 3.372 1.00 1.55 C ATOM 1700 OE1 GLN P 44 -5.025 10.876 3.405 1.00 2.08 O ATOM 1701 NE2 GLN P 44 -2.831 10.987 3.704 1.00 1.94 N ATOM 0 H GLN P 44 -5.388 8.530 0.235 1.00 0.71 H new ATOM 0 HA GLN P 44 -3.939 6.630 1.602 1.00 0.72 H new ATOM 0 HB2 GLN P 44 -5.789 8.937 2.153 1.00 0.88 H new ATOM 0 HB3 GLN P 44 -5.523 7.857 3.507 1.00 0.88 H new ATOM 0 HG2 GLN P 44 -3.205 8.320 3.596 1.00 1.21 H new ATOM 0 HG3 GLN P 44 -3.158 8.918 1.949 1.00 1.21 H new ATOM 0 HE21 GLN P 44 -1.925 10.519 3.671 1.00 1.94 H new ATOM 0 HE22 GLN P 44 -2.891 11.963 3.994 1.00 1.94 H new ATOM 1710 N ILE P 45 -7.191 6.021 1.920 1.00 0.68 N ATOM 1711 CA ILE P 45 -8.070 4.943 2.377 1.00 0.80 C ATOM 1712 C ILE P 45 -7.769 3.659 1.594 1.00 0.76 C ATOM 1713 O ILE P 45 -7.598 2.584 2.167 1.00 1.04 O ATOM 1714 CB ILE P 45 -9.559 5.321 2.257 1.00 1.00 C ATOM 1715 CG1 ILE P 45 -9.912 6.649 2.941 1.00 1.14 C ATOM 1716 CG2 ILE P 45 -10.434 4.208 2.857 1.00 1.22 C ATOM 1717 CD1 ILE P 45 -9.413 6.765 4.385 1.00 1.29 C ATOM 0 H ILE P 45 -7.665 6.838 1.536 1.00 0.68 H new ATOM 0 HA ILE P 45 -7.871 4.773 3.435 1.00 0.80 H new ATOM 0 HB ILE P 45 -9.754 5.442 1.191 1.00 1.00 H new ATOM 0 HG12 ILE P 45 -9.493 7.468 2.357 1.00 1.14 H new ATOM 0 HG13 ILE P 45 -10.995 6.773 2.932 1.00 1.14 H new ATOM 0 HG21 ILE P 45 -11.485 4.483 2.768 1.00 1.22 H new ATOM 0 HG22 ILE P 45 -10.256 3.276 2.320 1.00 1.22 H new ATOM 0 HG23 ILE P 45 -10.182 4.074 3.909 1.00 1.22 H new ATOM 0 HD11 ILE P 45 -9.704 7.732 4.794 1.00 1.29 H new ATOM 0 HD12 ILE P 45 -9.852 5.969 4.987 1.00 1.29 H new ATOM 0 HD13 ILE P 45 -8.327 6.676 4.403 1.00 1.29 H new ATOM 1729 N LYS P 46 -7.723 3.758 0.266 1.00 0.66 N ATOM 1730 CA LYS P 46 -7.408 2.648 -0.625 1.00 0.69 C ATOM 1731 C LYS P 46 -6.127 1.955 -0.132 1.00 0.56 C ATOM 1732 O LYS P 46 -6.152 0.784 0.255 1.00 0.52 O ATOM 1733 CB LYS P 46 -7.325 3.232 -2.048 1.00 1.07 C ATOM 1734 CG LYS P 46 -7.215 2.256 -3.220 1.00 1.40 C ATOM 1735 CD LYS P 46 -7.400 3.081 -4.509 1.00 2.09 C ATOM 1736 CE LYS P 46 -6.954 2.347 -5.781 1.00 1.95 C ATOM 1737 NZ LYS P 46 -5.496 2.384 -5.963 1.00 2.20 N ATOM 0 H LYS P 46 -7.908 4.631 -0.228 1.00 0.66 H new ATOM 0 HA LYS P 46 -8.168 1.867 -0.634 1.00 0.69 H new ATOM 0 HB2 LYS P 46 -8.210 3.848 -2.208 1.00 1.07 H new ATOM 0 HB3 LYS P 46 -6.463 3.898 -2.086 1.00 1.07 H new ATOM 0 HG2 LYS P 46 -6.246 1.757 -3.217 1.00 1.40 H new ATOM 0 HG3 LYS P 46 -7.975 1.478 -3.147 1.00 1.40 H new ATOM 0 HD2 LYS P 46 -8.451 3.354 -4.607 1.00 2.09 H new ATOM 0 HD3 LYS P 46 -6.836 4.010 -4.419 1.00 2.09 H new ATOM 0 HE2 LYS P 46 -7.286 1.310 -5.735 1.00 1.95 H new ATOM 0 HE3 LYS P 46 -7.438 2.798 -6.647 1.00 1.95 H new ATOM 0 HZ1 LYS P 46 -5.242 1.876 -6.834 1.00 2.20 H new ATOM 0 HZ2 LYS P 46 -5.180 3.372 -6.034 1.00 2.20 H new ATOM 0 HZ3 LYS P 46 -5.033 1.930 -5.150 1.00 2.20 H new ATOM 1751 N ILE P 47 -5.040 2.718 -0.034 1.00 0.68 N ATOM 1752 CA ILE P 47 -3.751 2.276 0.488 1.00 0.79 C ATOM 1753 C ILE P 47 -3.864 1.601 1.853 1.00 0.75 C ATOM 1754 O ILE P 47 -3.264 0.551 2.086 1.00 0.84 O ATOM 1755 CB ILE P 47 -2.793 3.480 0.532 1.00 0.96 C ATOM 1756 CG1 ILE P 47 -2.468 4.038 -0.865 1.00 1.03 C ATOM 1757 CG2 ILE P 47 -1.482 3.148 1.246 1.00 1.07 C ATOM 1758 CD1 ILE P 47 -2.255 2.931 -1.886 1.00 1.08 C ATOM 0 H ILE P 47 -5.034 3.695 -0.327 1.00 0.68 H new ATOM 0 HA ILE P 47 -3.354 1.513 -0.182 1.00 0.79 H new ATOM 0 HB ILE P 47 -3.328 4.244 1.095 1.00 0.96 H new ATOM 0 HG12 ILE P 47 -3.281 4.684 -1.195 1.00 1.03 H new ATOM 0 HG13 ILE P 47 -1.572 4.657 -0.809 1.00 1.03 H new ATOM 0 HG21 ILE P 47 -0.838 4.028 1.252 1.00 1.07 H new ATOM 0 HG22 ILE P 47 -1.693 2.845 2.272 1.00 1.07 H new ATOM 0 HG23 ILE P 47 -0.979 2.334 0.724 1.00 1.07 H new ATOM 0 HD11 ILE P 47 -2.028 3.371 -2.857 1.00 1.08 H new ATOM 0 HD12 ILE P 47 -1.424 2.300 -1.570 1.00 1.08 H new ATOM 0 HD13 ILE P 47 -3.160 2.328 -1.963 1.00 1.08 H new ATOM 1770 N TRP P 48 -4.603 2.198 2.778 1.00 0.71 N ATOM 1771 CA TRP P 48 -4.696 1.677 4.125 1.00 0.85 C ATOM 1772 C TRP P 48 -5.158 0.225 4.063 1.00 0.78 C ATOM 1773 O TRP P 48 -4.497 -0.669 4.591 1.00 1.00 O ATOM 1774 CB TRP P 48 -5.632 2.542 4.972 1.00 0.93 C ATOM 1775 CG TRP P 48 -5.536 2.252 6.432 1.00 1.28 C ATOM 1776 CD1 TRP P 48 -4.699 2.877 7.281 1.00 1.63 C ATOM 1777 CD2 TRP P 48 -6.204 1.219 7.216 1.00 1.40 C ATOM 1778 NE1 TRP P 48 -4.778 2.292 8.523 1.00 1.93 N ATOM 1779 CE2 TRP P 48 -5.696 1.258 8.551 1.00 1.80 C ATOM 1780 CE3 TRP P 48 -7.180 0.245 6.924 1.00 1.31 C ATOM 1781 CZ2 TRP P 48 -6.142 0.367 9.545 1.00 2.04 C ATOM 1782 CZ3 TRP P 48 -7.633 -0.644 7.913 1.00 1.58 C ATOM 1783 CH2 TRP P 48 -7.122 -0.584 9.222 1.00 1.89 C ATOM 0 H TRP P 48 -5.146 3.046 2.615 1.00 0.71 H new ATOM 0 HA TRP P 48 -3.718 1.708 4.606 1.00 0.85 H new ATOM 0 HB2 TRP P 48 -5.400 3.593 4.800 1.00 0.93 H new ATOM 0 HB3 TRP P 48 -6.659 2.385 4.643 1.00 0.93 H new ATOM 0 HD1 TRP P 48 -4.062 3.711 7.026 1.00 1.63 H new ATOM 0 HE1 TRP P 48 -4.225 2.586 9.328 1.00 1.93 H new ATOM 0 HE3 TRP P 48 -7.586 0.181 5.925 1.00 1.31 H new ATOM 0 HZ2 TRP P 48 -5.735 0.415 10.544 1.00 2.04 H new ATOM 0 HZ3 TRP P 48 -8.382 -1.382 7.665 1.00 1.58 H new ATOM 0 HH2 TRP P 48 -7.483 -1.268 9.976 1.00 1.89 H new ATOM 1794 N PHE P 49 -6.264 -0.009 3.360 1.00 0.60 N ATOM 1795 CA PHE P 49 -6.865 -1.328 3.242 1.00 0.65 C ATOM 1796 C PHE P 49 -5.967 -2.261 2.437 1.00 0.53 C ATOM 1797 O PHE P 49 -5.780 -3.404 2.843 1.00 0.58 O ATOM 1798 CB PHE P 49 -8.281 -1.235 2.664 1.00 0.80 C ATOM 1799 CG PHE P 49 -9.302 -0.797 3.699 1.00 1.21 C ATOM 1800 CD1 PHE P 49 -9.724 -1.718 4.675 1.00 1.91 C ATOM 1801 CD2 PHE P 49 -9.707 0.545 3.793 1.00 1.44 C ATOM 1802 CE1 PHE P 49 -10.542 -1.306 5.741 1.00 2.47 C ATOM 1803 CE2 PHE P 49 -10.528 0.958 4.853 1.00 1.96 C ATOM 1804 CZ PHE P 49 -10.930 0.038 5.837 1.00 2.40 C ATOM 0 H PHE P 49 -6.769 0.719 2.854 1.00 0.60 H new ATOM 0 HA PHE P 49 -6.959 -1.758 4.239 1.00 0.65 H new ATOM 0 HB2 PHE P 49 -8.285 -0.530 1.833 1.00 0.80 H new ATOM 0 HB3 PHE P 49 -8.570 -2.205 2.261 1.00 0.80 H new ATOM 0 HD1 PHE P 49 -9.417 -2.751 4.605 1.00 1.91 H new ATOM 0 HD2 PHE P 49 -9.386 1.259 3.049 1.00 1.44 H new ATOM 0 HE1 PHE P 49 -10.870 -2.020 6.482 1.00 2.47 H new ATOM 0 HE2 PHE P 49 -10.852 1.986 4.913 1.00 1.96 H new ATOM 0 HZ PHE P 49 -11.538 0.366 6.667 1.00 2.40 H new ATOM 1814 N GLN P 50 -5.382 -1.790 1.332 1.00 0.54 N ATOM 1815 CA GLN P 50 -4.382 -2.538 0.571 1.00 0.67 C ATOM 1816 C GLN P 50 -3.351 -3.142 1.523 1.00 0.73 C ATOM 1817 O GLN P 50 -3.148 -4.357 1.568 1.00 0.86 O ATOM 1818 CB GLN P 50 -3.688 -1.577 -0.414 1.00 0.80 C ATOM 1819 CG GLN P 50 -2.532 -2.203 -1.198 1.00 1.04 C ATOM 1820 CD GLN P 50 -1.785 -1.157 -2.011 1.00 2.55 C ATOM 1821 OE1 GLN P 50 -2.261 -0.786 -3.076 1.00 3.56 O ATOM 1822 NE2 GLN P 50 -0.622 -0.710 -1.560 1.00 3.58 N ATOM 0 H GLN P 50 -5.592 -0.872 0.939 1.00 0.54 H new ATOM 0 HA GLN P 50 -4.864 -3.346 0.020 1.00 0.67 H new ATOM 0 HB2 GLN P 50 -4.429 -1.202 -1.120 1.00 0.80 H new ATOM 0 HB3 GLN P 50 -3.312 -0.717 0.140 1.00 0.80 H new ATOM 0 HG2 GLN P 50 -1.843 -2.690 -0.508 1.00 1.04 H new ATOM 0 HG3 GLN P 50 -2.917 -2.976 -1.863 1.00 1.04 H new ATOM 0 HE21 GLN P 50 -0.259 -1.044 -0.667 1.00 3.58 H new ATOM 0 HE22 GLN P 50 -0.090 -0.032 -2.106 1.00 3.58 H new ATOM 1831 N ASN P 51 -2.682 -2.287 2.290 1.00 0.78 N ATOM 1832 CA ASN P 51 -1.527 -2.735 3.058 1.00 1.11 C ATOM 1833 C ASN P 51 -2.000 -3.622 4.197 1.00 1.06 C ATOM 1834 O ASN P 51 -1.456 -4.704 4.415 1.00 1.29 O ATOM 1835 CB ASN P 51 -0.667 -1.557 3.526 1.00 1.55 C ATOM 1836 CG ASN P 51 0.027 -0.866 2.353 1.00 3.15 C ATOM 1837 OD1 ASN P 51 -0.179 -1.213 1.191 1.00 4.73 O ATOM 1838 ND2 ASN P 51 0.841 0.137 2.627 1.00 3.47 N ATOM 0 H ASN P 51 -2.914 -1.299 2.395 1.00 0.78 H new ATOM 0 HA ASN P 51 -0.873 -3.329 2.420 1.00 1.11 H new ATOM 0 HB2 ASN P 51 -1.292 -0.837 4.055 1.00 1.55 H new ATOM 0 HB3 ASN P 51 0.081 -1.911 4.235 1.00 1.55 H new ATOM 0 HD21 ASN P 51 1.309 0.636 1.870 1.00 3.47 H new ATOM 0 HD22 ASN P 51 1.002 0.413 3.596 1.00 3.47 H new ATOM 1845 N ARG P 52 -3.070 -3.215 4.877 1.00 0.95 N ATOM 1846 CA ARG P 52 -3.665 -4.008 5.942 1.00 1.00 C ATOM 1847 C ARG P 52 -3.991 -5.424 5.429 1.00 0.86 C ATOM 1848 O ARG P 52 -3.600 -6.411 6.044 1.00 1.03 O ATOM 1849 CB ARG P 52 -4.871 -3.251 6.523 1.00 1.12 C ATOM 1850 CG ARG P 52 -5.203 -3.594 7.978 1.00 1.11 C ATOM 1851 CD ARG P 52 -4.101 -3.305 9.016 1.00 1.58 C ATOM 1852 NE ARG P 52 -3.449 -1.977 8.909 1.00 2.08 N ATOM 1853 CZ ARG P 52 -2.584 -1.481 9.818 1.00 2.47 C ATOM 1854 NH1 ARG P 52 -2.354 -2.135 10.956 1.00 3.04 N ATOM 1855 NH2 ARG P 52 -1.947 -0.327 9.619 1.00 3.43 N ATOM 0 H ARG P 52 -3.545 -2.329 4.704 1.00 0.95 H new ATOM 0 HA ARG P 52 -2.963 -4.150 6.764 1.00 1.00 H new ATOM 0 HB2 ARG P 52 -4.679 -2.180 6.451 1.00 1.12 H new ATOM 0 HB3 ARG P 52 -5.745 -3.460 5.906 1.00 1.12 H new ATOM 0 HG2 ARG P 52 -6.097 -3.040 8.265 1.00 1.11 H new ATOM 0 HG3 ARG P 52 -5.454 -4.653 8.031 1.00 1.11 H new ATOM 0 HD2 ARG P 52 -4.533 -3.398 10.013 1.00 1.58 H new ATOM 0 HD3 ARG P 52 -3.334 -4.074 8.928 1.00 1.58 H new ATOM 0 HE ARG P 52 -3.669 -1.402 8.096 1.00 2.08 H new ATOM 0 HH11 ARG P 52 -2.833 -3.016 11.144 1.00 3.04 H new ATOM 0 HH12 ARG P 52 -1.699 -1.755 11.639 1.00 3.04 H new ATOM 0 HH21 ARG P 52 -2.109 0.204 8.763 1.00 3.43 H new ATOM 0 HH22 ARG P 52 -1.298 0.025 10.323 1.00 3.43 H new ATOM 1869 N ARG P 53 -4.635 -5.549 4.256 1.00 0.69 N ATOM 1870 CA ARG P 53 -4.837 -6.840 3.591 1.00 0.82 C ATOM 1871 C ARG P 53 -3.511 -7.586 3.447 1.00 0.96 C ATOM 1872 O ARG P 53 -3.390 -8.716 3.902 1.00 1.21 O ATOM 1873 CB ARG P 53 -5.453 -6.718 2.185 1.00 0.94 C ATOM 1874 CG ARG P 53 -6.971 -6.506 2.112 1.00 1.21 C ATOM 1875 CD ARG P 53 -7.433 -6.593 0.643 1.00 1.45 C ATOM 1876 NE ARG P 53 -7.171 -7.929 0.059 1.00 1.94 N ATOM 1877 CZ ARG P 53 -8.076 -8.905 -0.150 1.00 2.98 C ATOM 1878 NH1 ARG P 53 -9.375 -8.618 -0.113 1.00 3.44 N ATOM 1879 NH2 ARG P 53 -7.649 -10.145 -0.374 1.00 4.58 N ATOM 0 H ARG P 53 -5.028 -4.758 3.746 1.00 0.69 H new ATOM 0 HA ARG P 53 -5.534 -7.383 4.229 1.00 0.82 H new ATOM 0 HB2 ARG P 53 -4.969 -5.887 1.673 1.00 0.94 H new ATOM 0 HB3 ARG P 53 -5.209 -7.622 1.627 1.00 0.94 H new ATOM 0 HG2 ARG P 53 -7.483 -7.259 2.711 1.00 1.21 H new ATOM 0 HG3 ARG P 53 -7.234 -5.534 2.530 1.00 1.21 H new ATOM 0 HD2 ARG P 53 -8.499 -6.374 0.584 1.00 1.45 H new ATOM 0 HD3 ARG P 53 -6.919 -5.833 0.055 1.00 1.45 H new ATOM 0 HE ARG P 53 -6.209 -8.130 -0.212 1.00 1.94 H new ATOM 0 HH11 ARG P 53 -9.681 -7.663 0.073 1.00 3.44 H new ATOM 0 HH12 ARG P 53 -10.064 -9.353 -0.271 1.00 3.44 H new ATOM 0 HH21 ARG P 53 -6.649 -10.346 -0.386 1.00 4.58 H new ATOM 0 HH22 ARG P 53 -8.322 -10.895 -0.534 1.00 4.58 H new ATOM 1893 N MET P 54 -2.533 -6.989 2.767 1.00 0.99 N ATOM 1894 CA MET P 54 -1.267 -7.657 2.487 1.00 1.26 C ATOM 1895 C MET P 54 -0.667 -8.256 3.764 1.00 1.47 C ATOM 1896 O MET P 54 -0.263 -9.415 3.802 1.00 1.76 O ATOM 1897 CB MET P 54 -0.285 -6.675 1.835 1.00 1.39 C ATOM 1898 CG MET P 54 -0.597 -6.339 0.377 1.00 1.41 C ATOM 1899 SD MET P 54 -0.617 -7.760 -0.736 1.00 2.28 S ATOM 1900 CE MET P 54 -2.391 -7.946 -0.983 1.00 1.55 C ATOM 0 H MET P 54 -2.596 -6.040 2.399 1.00 0.99 H new ATOM 0 HA MET P 54 -1.456 -8.476 1.793 1.00 1.26 H new ATOM 0 HB2 MET P 54 -0.277 -5.751 2.414 1.00 1.39 H new ATOM 0 HB3 MET P 54 0.719 -7.095 1.891 1.00 1.39 H new ATOM 0 HG2 MET P 54 -1.568 -5.845 0.332 1.00 1.41 H new ATOM 0 HG3 MET P 54 0.142 -5.623 0.017 1.00 1.41 H new ATOM 0 HE1 MET P 54 -2.579 -8.786 -1.651 1.00 1.55 H new ATOM 0 HE2 MET P 54 -2.875 -8.130 -0.024 1.00 1.55 H new ATOM 0 HE3 MET P 54 -2.795 -7.034 -1.424 1.00 1.55 H new ATOM 1910 N LYS P 55 -0.632 -7.466 4.827 1.00 1.43 N ATOM 1911 CA LYS P 55 -0.010 -7.845 6.085 1.00 1.73 C ATOM 1912 C LYS P 55 -0.805 -8.989 6.735 1.00 1.78 C ATOM 1913 O LYS P 55 -0.246 -10.016 7.137 1.00 2.17 O ATOM 1914 CB LYS P 55 0.057 -6.584 6.952 1.00 1.80 C ATOM 1915 CG LYS P 55 0.871 -5.479 6.248 1.00 2.93 C ATOM 1916 CD LYS P 55 2.307 -5.374 6.775 1.00 3.60 C ATOM 1917 CE LYS P 55 2.431 -4.146 7.680 1.00 3.87 C ATOM 1918 NZ LYS P 55 1.523 -4.182 8.843 1.00 3.65 N ATOM 0 H LYS P 55 -1.041 -6.531 4.839 1.00 1.43 H new ATOM 0 HA LYS P 55 1.002 -8.226 5.946 1.00 1.73 H new ATOM 0 HB2 LYS P 55 -0.951 -6.224 7.158 1.00 1.80 H new ATOM 0 HB3 LYS P 55 0.513 -6.822 7.913 1.00 1.80 H new ATOM 0 HG2 LYS P 55 0.895 -5.678 5.177 1.00 2.93 H new ATOM 0 HG3 LYS P 55 0.368 -4.521 6.383 1.00 2.93 H new ATOM 0 HD2 LYS P 55 2.569 -6.275 7.329 1.00 3.60 H new ATOM 0 HD3 LYS P 55 3.006 -5.297 5.942 1.00 3.60 H new ATOM 0 HE2 LYS P 55 3.459 -4.066 8.033 1.00 3.87 H new ATOM 0 HE3 LYS P 55 2.225 -3.250 7.095 1.00 3.87 H new ATOM 0 HZ1 LYS P 55 1.760 -3.405 9.493 1.00 3.65 H new ATOM 0 HZ2 LYS P 55 0.540 -4.075 8.520 1.00 3.65 H new ATOM 0 HZ3 LYS P 55 1.628 -5.091 9.337 1.00 3.65 H new ATOM 1932 N TRP P 56 -2.129 -8.827 6.775 1.00 1.56 N ATOM 1933 CA TRP P 56 -3.102 -9.830 7.193 1.00 1.69 C ATOM 1934 C TRP P 56 -2.920 -11.139 6.425 1.00 1.86 C ATOM 1935 O TRP P 56 -3.084 -12.208 7.003 1.00 2.39 O ATOM 1936 CB TRP P 56 -4.503 -9.218 7.041 1.00 1.52 C ATOM 1937 CG TRP P 56 -5.735 -10.075 7.019 1.00 1.72 C ATOM 1938 CD1 TRP P 56 -6.619 -10.225 8.031 1.00 1.94 C ATOM 1939 CD2 TRP P 56 -6.364 -10.691 5.855 1.00 1.91 C ATOM 1940 NE1 TRP P 56 -7.768 -10.826 7.558 1.00 2.10 N ATOM 1941 CE2 TRP P 56 -7.675 -11.120 6.214 1.00 2.12 C ATOM 1942 CE3 TRP P 56 -5.966 -10.892 4.519 1.00 2.13 C ATOM 1943 CZ2 TRP P 56 -8.556 -11.698 5.287 1.00 2.47 C ATOM 1944 CZ3 TRP P 56 -6.829 -11.498 3.585 1.00 2.58 C ATOM 1945 CH2 TRP P 56 -8.126 -11.891 3.964 1.00 2.71 C ATOM 0 H TRP P 56 -2.570 -7.949 6.503 1.00 1.56 H new ATOM 0 HA TRP P 56 -2.954 -10.100 8.239 1.00 1.69 H new ATOM 0 HB2 TRP P 56 -4.627 -8.505 7.856 1.00 1.52 H new ATOM 0 HB3 TRP P 56 -4.499 -8.645 6.114 1.00 1.52 H new ATOM 0 HD1 TRP P 56 -6.452 -9.921 9.054 1.00 1.94 H new ATOM 0 HE1 TRP P 56 -8.586 -11.028 8.133 1.00 2.10 H new ATOM 0 HE3 TRP P 56 -4.982 -10.576 4.205 1.00 2.13 H new ATOM 0 HZ2 TRP P 56 -9.551 -11.990 5.587 1.00 2.47 H new ATOM 0 HZ3 TRP P 56 -6.493 -11.662 2.572 1.00 2.58 H new ATOM 0 HH2 TRP P 56 -8.789 -12.340 3.239 1.00 2.71 H new