USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 41 THR OG1 : rot 180:sc= -0.115 USER MOD Set 1.2: P 44 GLN : amide:sc= 0.272 K(o=0.16,f=-3.7!) USER MOD Single : P 7 THR OG1 : rot 36:sc= 0.206 USER MOD Single : P 8 TYR OH : rot 165:sc= 0 USER MOD Single : P 9 THR OG1 : rot 110:sc= 0.17 USER MOD Single : P 11 TYR OH : rot 180:sc= 0 USER MOD Single : P 12 GLN : amide:sc= 0.987 K(o=0.99,f=-0.012) USER MOD Single : P 13 THR OG1 : rot 120:sc= 0.296 USER MOD Single : P 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 21 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.4!) USER MOD Single : P 23 ASN : amide:sc= -0.107! K(o=-0.11!,f=-0.93) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 27 THR OG1 : rot 180:sc= 0.00755 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 USER MOD Single : P 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : P 51 ASN : amide:sc= 0.706 K(o=0.71,f=-5.1!) USER MOD Single : P 54 MET CE :methyl 170:sc= -0.0381 (180deg=-0.103) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1026 N THR P 7 0.383 11.194 9.743 1.00 2.84 N ATOM 1027 CA THR P 7 0.079 10.484 10.974 1.00 2.93 C ATOM 1028 C THR P 7 -1.434 10.515 11.155 1.00 2.84 C ATOM 1029 O THR P 7 -2.008 11.516 11.587 1.00 3.01 O ATOM 1030 CB THR P 7 0.850 11.087 12.152 1.00 3.35 C ATOM 1031 OG1 THR P 7 2.227 11.228 11.825 1.00 4.27 O ATOM 1032 CG2 THR P 7 0.729 10.204 13.396 1.00 3.17 C ATOM 0 HA THR P 7 0.402 9.444 10.927 1.00 2.93 H new ATOM 0 HB THR P 7 0.417 12.065 12.361 1.00 3.35 H new ATOM 0 HG1 THR P 7 2.316 11.470 10.879 1.00 4.27 H new ATOM 0 HG21 THR P 7 1.285 10.655 14.218 1.00 3.17 H new ATOM 0 HG22 THR P 7 -0.320 10.112 13.676 1.00 3.17 H new ATOM 0 HG23 THR P 7 1.136 9.216 13.182 1.00 3.17 H new ATOM 1040 N TYR P 8 -2.085 9.416 10.779 1.00 2.70 N ATOM 1041 CA TYR P 8 -3.490 9.207 11.105 1.00 2.57 C ATOM 1042 C TYR P 8 -3.581 9.149 12.633 1.00 2.79 C ATOM 1043 O TYR P 8 -2.610 8.744 13.279 1.00 3.21 O ATOM 1044 CB TYR P 8 -4.001 7.899 10.487 1.00 2.34 C ATOM 1045 CG TYR P 8 -4.012 7.798 8.966 1.00 2.07 C ATOM 1046 CD1 TYR P 8 -2.809 7.551 8.278 1.00 2.80 C ATOM 1047 CD2 TYR P 8 -5.232 7.670 8.273 1.00 2.27 C ATOM 1048 CE1 TYR P 8 -2.818 7.164 6.928 1.00 2.55 C ATOM 1049 CE2 TYR P 8 -5.240 7.248 6.928 1.00 2.28 C ATOM 1050 CZ TYR P 8 -4.033 6.988 6.254 1.00 1.72 C ATOM 1051 OH TYR P 8 -4.073 6.528 4.973 1.00 1.78 O ATOM 0 H TYR P 8 -1.659 8.657 10.248 1.00 2.70 H new ATOM 0 HA TYR P 8 -4.106 10.012 10.705 1.00 2.57 H new ATOM 0 HB2 TYR P 8 -3.391 7.083 10.874 1.00 2.34 H new ATOM 0 HB3 TYR P 8 -5.018 7.733 10.843 1.00 2.34 H new ATOM 0 HD1 TYR P 8 -1.867 7.661 8.795 1.00 2.80 H new ATOM 0 HD2 TYR P 8 -6.162 7.896 8.773 1.00 2.27 H new ATOM 0 HE1 TYR P 8 -1.885 7.002 6.408 1.00 2.55 H new ATOM 0 HE2 TYR P 8 -6.180 7.123 6.411 1.00 2.28 H new ATOM 0 HH TYR P 8 -4.986 6.244 4.756 1.00 1.78 H new ATOM 1061 N THR P 9 -4.700 9.583 13.210 1.00 2.62 N ATOM 1062 CA THR P 9 -4.856 9.684 14.652 1.00 2.88 C ATOM 1063 C THR P 9 -5.150 8.294 15.232 1.00 3.06 C ATOM 1064 O THR P 9 -4.588 7.300 14.771 1.00 3.72 O ATOM 1065 CB THR P 9 -5.940 10.735 14.932 1.00 2.80 C ATOM 1066 OG1 THR P 9 -7.179 10.333 14.378 1.00 2.59 O ATOM 1067 CG2 THR P 9 -5.552 12.082 14.317 1.00 2.97 C ATOM 0 H THR P 9 -5.524 9.874 12.685 1.00 2.62 H new ATOM 0 HA THR P 9 -3.946 10.019 15.149 1.00 2.88 H new ATOM 0 HB THR P 9 -6.033 10.833 16.014 1.00 2.80 H new ATOM 0 HG1 THR P 9 -7.799 10.099 15.100 1.00 2.59 H new ATOM 0 HG21 THR P 9 -6.331 12.815 14.525 1.00 2.97 H new ATOM 0 HG22 THR P 9 -4.610 12.421 14.749 1.00 2.97 H new ATOM 0 HG23 THR P 9 -5.438 11.970 13.239 1.00 2.97 H new ATOM 1075 N ARG P 10 -6.035 8.167 16.221 1.00 2.90 N ATOM 1076 CA ARG P 10 -6.668 6.898 16.553 1.00 2.95 C ATOM 1077 C ARG P 10 -8.064 6.904 15.939 1.00 2.87 C ATOM 1078 O ARG P 10 -8.439 5.961 15.249 1.00 2.79 O ATOM 1079 CB ARG P 10 -6.678 6.672 18.072 1.00 3.17 C ATOM 1080 CG ARG P 10 -5.282 6.639 18.727 1.00 4.57 C ATOM 1081 CD ARG P 10 -4.392 5.462 18.289 1.00 5.40 C ATOM 1082 NE ARG P 10 -3.898 5.632 16.916 1.00 6.72 N ATOM 1083 CZ ARG P 10 -3.377 4.678 16.133 1.00 7.93 C ATOM 1084 NH1 ARG P 10 -2.974 3.512 16.651 1.00 8.23 N ATOM 1085 NH2 ARG P 10 -3.298 4.922 14.828 1.00 9.24 N ATOM 0 H ARG P 10 -6.331 8.943 16.813 1.00 2.90 H new ATOM 0 HA ARG P 10 -6.107 6.060 16.140 1.00 2.95 H new ATOM 0 HB2 ARG P 10 -7.265 7.462 18.540 1.00 3.17 H new ATOM 0 HB3 ARG P 10 -7.186 5.731 18.282 1.00 3.17 H new ATOM 0 HG2 ARG P 10 -4.766 7.571 18.498 1.00 4.57 H new ATOM 0 HG3 ARG P 10 -5.405 6.601 19.809 1.00 4.57 H new ATOM 0 HD2 ARG P 10 -3.546 5.373 18.971 1.00 5.40 H new ATOM 0 HD3 ARG P 10 -4.958 4.533 18.359 1.00 5.40 H new ATOM 0 HE ARG P 10 -3.958 6.570 16.519 1.00 6.72 H new ATOM 0 HH11 ARG P 10 -3.062 3.341 17.653 1.00 8.23 H new ATOM 0 HH12 ARG P 10 -2.579 2.794 16.044 1.00 8.23 H new ATOM 0 HH21 ARG P 10 -3.628 5.812 14.455 1.00 9.24 H new ATOM 0 HH22 ARG P 10 -2.907 4.219 14.201 1.00 9.24 H new ATOM 1099 N TYR P 11 -8.809 7.993 16.122 1.00 2.95 N ATOM 1100 CA TYR P 11 -10.138 8.161 15.556 1.00 2.92 C ATOM 1101 C TYR P 11 -10.155 7.868 14.056 1.00 2.79 C ATOM 1102 O TYR P 11 -10.995 7.098 13.595 1.00 2.78 O ATOM 1103 CB TYR P 11 -10.665 9.568 15.838 1.00 2.99 C ATOM 1104 CG TYR P 11 -11.940 9.889 15.082 1.00 2.99 C ATOM 1105 CD1 TYR P 11 -13.177 9.409 15.550 1.00 3.16 C ATOM 1106 CD2 TYR P 11 -11.877 10.594 13.865 1.00 3.12 C ATOM 1107 CE1 TYR P 11 -14.350 9.674 14.823 1.00 3.21 C ATOM 1108 CE2 TYR P 11 -13.045 10.824 13.122 1.00 3.16 C ATOM 1109 CZ TYR P 11 -14.283 10.361 13.600 1.00 3.09 C ATOM 1110 OH TYR P 11 -15.421 10.577 12.886 1.00 3.20 O ATOM 0 H TYR P 11 -8.499 8.792 16.676 1.00 2.95 H new ATOM 0 HA TYR P 11 -10.796 7.438 16.037 1.00 2.92 H new ATOM 0 HB2 TYR P 11 -10.848 9.673 16.907 1.00 2.99 H new ATOM 0 HB3 TYR P 11 -9.899 10.296 15.572 1.00 2.99 H new ATOM 0 HD1 TYR P 11 -13.225 8.838 16.466 1.00 3.16 H new ATOM 0 HD2 TYR P 11 -10.927 10.959 13.502 1.00 3.12 H new ATOM 0 HE1 TYR P 11 -15.306 9.348 15.206 1.00 3.21 H new ATOM 0 HE2 TYR P 11 -12.993 11.356 12.184 1.00 3.16 H new ATOM 0 HH TYR P 11 -15.204 11.066 12.065 1.00 3.20 H new ATOM 1120 N GLN P 12 -9.267 8.492 13.276 1.00 2.71 N ATOM 1121 CA GLN P 12 -9.295 8.303 11.828 1.00 2.59 C ATOM 1122 C GLN P 12 -9.127 6.810 11.508 1.00 2.45 C ATOM 1123 O GLN P 12 -9.807 6.262 10.648 1.00 2.48 O ATOM 1124 CB GLN P 12 -8.209 9.150 11.134 1.00 2.59 C ATOM 1125 CG GLN P 12 -8.271 10.667 11.410 1.00 2.89 C ATOM 1126 CD GLN P 12 -9.289 11.457 10.591 1.00 2.81 C ATOM 1127 OE1 GLN P 12 -10.144 12.154 11.136 1.00 4.12 O ATOM 1128 NE2 GLN P 12 -9.186 11.401 9.271 1.00 2.78 N ATOM 0 H GLN P 12 -8.537 9.118 13.615 1.00 2.71 H new ATOM 0 HA GLN P 12 -10.257 8.642 11.443 1.00 2.59 H new ATOM 0 HB2 GLN P 12 -7.232 8.782 11.445 1.00 2.59 H new ATOM 0 HB3 GLN P 12 -8.282 8.991 10.058 1.00 2.59 H new ATOM 0 HG2 GLN P 12 -8.492 10.815 12.467 1.00 2.89 H new ATOM 0 HG3 GLN P 12 -7.283 11.089 11.229 1.00 2.89 H new ATOM 0 HE21 GLN P 12 -8.470 10.817 8.840 1.00 2.78 H new ATOM 0 HE22 GLN P 12 -9.823 11.942 8.686 1.00 2.78 H new ATOM 1137 N THR P 13 -8.212 6.155 12.216 1.00 2.47 N ATOM 1138 CA THR P 13 -7.929 4.738 12.082 1.00 2.40 C ATOM 1139 C THR P 13 -9.117 3.875 12.560 1.00 2.46 C ATOM 1140 O THR P 13 -9.314 2.763 12.079 1.00 2.43 O ATOM 1141 CB THR P 13 -6.624 4.487 12.860 1.00 2.52 C ATOM 1142 OG1 THR P 13 -5.686 5.505 12.540 1.00 2.67 O ATOM 1143 CG2 THR P 13 -5.992 3.136 12.548 1.00 2.35 C ATOM 0 H THR P 13 -7.632 6.613 12.919 1.00 2.47 H new ATOM 0 HA THR P 13 -7.795 4.446 11.041 1.00 2.40 H new ATOM 0 HB THR P 13 -6.882 4.495 13.919 1.00 2.52 H new ATOM 0 HG1 THR P 13 -5.436 5.988 13.355 1.00 2.67 H new ATOM 0 HG21 THR P 13 -5.076 3.020 13.128 1.00 2.35 H new ATOM 0 HG22 THR P 13 -6.689 2.339 12.808 1.00 2.35 H new ATOM 0 HG23 THR P 13 -5.758 3.081 11.485 1.00 2.35 H new ATOM 1151 N LEU P 14 -9.900 4.344 13.539 1.00 2.58 N ATOM 1152 CA LEU P 14 -11.007 3.617 14.147 1.00 2.70 C ATOM 1153 C LEU P 14 -12.015 3.094 13.123 1.00 2.60 C ATOM 1154 O LEU P 14 -12.097 1.880 12.920 1.00 2.70 O ATOM 1155 CB LEU P 14 -11.675 4.488 15.223 1.00 2.91 C ATOM 1156 CG LEU P 14 -12.027 3.670 16.464 1.00 2.86 C ATOM 1157 CD1 LEU P 14 -12.651 4.593 17.515 1.00 3.16 C ATOM 1158 CD2 LEU P 14 -12.999 2.522 16.158 1.00 3.20 C ATOM 0 H LEU P 14 -9.771 5.273 13.939 1.00 2.58 H new ATOM 0 HA LEU P 14 -10.596 2.727 14.623 1.00 2.70 H new ATOM 0 HB2 LEU P 14 -11.006 5.303 15.500 1.00 2.91 H new ATOM 0 HB3 LEU P 14 -12.579 4.942 14.816 1.00 2.91 H new ATOM 0 HG LEU P 14 -11.104 3.225 16.835 1.00 2.86 H new ATOM 0 HD11 LEU P 14 -12.904 4.014 18.403 1.00 3.16 H new ATOM 0 HD12 LEU P 14 -11.939 5.374 17.782 1.00 3.16 H new ATOM 0 HD13 LEU P 14 -13.554 5.048 17.109 1.00 3.16 H new ATOM 0 HD21 LEU P 14 -13.215 1.974 17.075 1.00 3.20 H new ATOM 0 HD22 LEU P 14 -13.925 2.928 15.751 1.00 3.20 H new ATOM 0 HD23 LEU P 14 -12.548 1.848 15.430 1.00 3.20 H new ATOM 1170 N GLU P 15 -12.789 3.978 12.490 1.00 2.48 N ATOM 1171 CA GLU P 15 -13.868 3.522 11.627 1.00 2.40 C ATOM 1172 C GLU P 15 -13.328 2.693 10.466 1.00 2.21 C ATOM 1173 O GLU P 15 -14.016 1.819 9.956 1.00 2.23 O ATOM 1174 CB GLU P 15 -14.723 4.691 11.141 1.00 2.45 C ATOM 1175 CG GLU P 15 -13.950 5.683 10.262 1.00 2.70 C ATOM 1176 CD GLU P 15 -14.814 6.909 10.067 1.00 3.19 C ATOM 1177 OE1 GLU P 15 -14.834 7.752 10.992 1.00 3.76 O ATOM 1178 OE2 GLU P 15 -15.580 6.952 9.077 1.00 3.82 O ATOM 0 H GLU P 15 -12.689 4.991 12.559 1.00 2.48 H new ATOM 0 HA GLU P 15 -14.517 2.874 12.216 1.00 2.40 H new ATOM 0 HB2 GLU P 15 -15.572 4.302 10.578 1.00 2.45 H new ATOM 0 HB3 GLU P 15 -15.128 5.220 12.004 1.00 2.45 H new ATOM 0 HG2 GLU P 15 -13.005 5.954 10.734 1.00 2.70 H new ATOM 0 HG3 GLU P 15 -13.708 5.231 9.300 1.00 2.70 H new ATOM 1185 N LEU P 16 -12.096 2.960 10.049 1.00 2.06 N ATOM 1186 CA LEU P 16 -11.453 2.196 9.005 1.00 1.87 C ATOM 1187 C LEU P 16 -11.214 0.748 9.455 1.00 1.86 C ATOM 1188 O LEU P 16 -11.413 -0.168 8.656 1.00 1.78 O ATOM 1189 CB LEU P 16 -10.184 2.928 8.567 1.00 1.82 C ATOM 1190 CG LEU P 16 -10.458 4.285 7.898 1.00 1.79 C ATOM 1191 CD1 LEU P 16 -9.126 4.955 7.545 1.00 1.80 C ATOM 1192 CD2 LEU P 16 -11.278 4.141 6.611 1.00 1.86 C ATOM 0 H LEU P 16 -11.522 3.712 10.429 1.00 2.06 H new ATOM 0 HA LEU P 16 -12.100 2.119 8.131 1.00 1.87 H new ATOM 0 HB2 LEU P 16 -9.545 3.083 9.436 1.00 1.82 H new ATOM 0 HB3 LEU P 16 -9.630 2.295 7.873 1.00 1.82 H new ATOM 0 HG LEU P 16 -11.029 4.886 8.606 1.00 1.79 H new ATOM 0 HD11 LEU P 16 -9.317 5.917 7.070 1.00 1.80 H new ATOM 0 HD12 LEU P 16 -8.544 5.108 8.454 1.00 1.80 H new ATOM 0 HD13 LEU P 16 -8.568 4.317 6.859 1.00 1.80 H new ATOM 0 HD21 LEU P 16 -11.446 5.126 6.175 1.00 1.86 H new ATOM 0 HD22 LEU P 16 -10.734 3.517 5.901 1.00 1.86 H new ATOM 0 HD23 LEU P 16 -12.237 3.677 6.841 1.00 1.86 H new ATOM 1204 N GLU P 17 -10.848 0.500 10.718 1.00 1.97 N ATOM 1205 CA GLU P 17 -10.823 -0.867 11.232 1.00 2.01 C ATOM 1206 C GLU P 17 -12.216 -1.489 11.179 1.00 2.14 C ATOM 1207 O GLU P 17 -12.356 -2.645 10.770 1.00 2.10 O ATOM 1208 CB GLU P 17 -10.249 -0.947 12.654 1.00 2.22 C ATOM 1209 CG GLU P 17 -8.732 -0.760 12.602 1.00 2.26 C ATOM 1210 CD GLU P 17 -8.063 -0.971 13.941 1.00 2.61 C ATOM 1211 OE1 GLU P 17 -8.498 -1.857 14.706 1.00 2.57 O ATOM 1212 OE2 GLU P 17 -7.108 -0.222 14.236 1.00 3.79 O ATOM 0 H GLU P 17 -10.570 1.216 11.389 1.00 1.97 H new ATOM 0 HA GLU P 17 -10.157 -1.438 10.585 1.00 2.01 H new ATOM 0 HB2 GLU P 17 -10.700 -0.179 13.283 1.00 2.22 H new ATOM 0 HB3 GLU P 17 -10.492 -1.910 13.102 1.00 2.22 H new ATOM 0 HG2 GLU P 17 -8.310 -1.457 11.878 1.00 2.26 H new ATOM 0 HG3 GLU P 17 -8.508 0.245 12.245 1.00 2.26 H new ATOM 1219 N LYS P 18 -13.230 -0.761 11.646 1.00 2.34 N ATOM 1220 CA LYS P 18 -14.608 -1.247 11.589 1.00 2.49 C ATOM 1221 C LYS P 18 -14.954 -1.644 10.147 1.00 2.33 C ATOM 1222 O LYS P 18 -15.495 -2.726 9.908 1.00 2.36 O ATOM 1223 CB LYS P 18 -15.620 -0.215 12.123 1.00 2.71 C ATOM 1224 CG LYS P 18 -15.620 -0.047 13.650 1.00 3.20 C ATOM 1225 CD LYS P 18 -16.711 0.968 14.042 1.00 3.40 C ATOM 1226 CE LYS P 18 -16.881 1.165 15.560 1.00 4.25 C ATOM 1227 NZ LYS P 18 -17.523 0.004 16.212 1.00 4.49 N ATOM 0 H LYS P 18 -13.124 0.163 12.066 1.00 2.34 H new ATOM 0 HA LYS P 18 -14.679 -2.119 12.239 1.00 2.49 H new ATOM 0 HB2 LYS P 18 -15.409 0.751 11.665 1.00 2.71 H new ATOM 0 HB3 LYS P 18 -16.620 -0.508 11.803 1.00 2.71 H new ATOM 0 HG2 LYS P 18 -15.806 -1.006 14.134 1.00 3.20 H new ATOM 0 HG3 LYS P 18 -14.644 0.299 13.991 1.00 3.20 H new ATOM 0 HD2 LYS P 18 -16.475 1.930 13.587 1.00 3.40 H new ATOM 0 HD3 LYS P 18 -17.662 0.641 13.622 1.00 3.40 H new ATOM 0 HE2 LYS P 18 -15.905 1.338 16.012 1.00 4.25 H new ATOM 0 HE3 LYS P 18 -17.480 2.057 15.743 1.00 4.25 H new ATOM 0 HZ1 LYS P 18 -17.615 0.186 17.232 1.00 4.49 H new ATOM 0 HZ2 LYS P 18 -18.466 -0.147 15.801 1.00 4.49 H new ATOM 0 HZ3 LYS P 18 -16.940 -0.844 16.062 1.00 4.49 H new ATOM 1241 N GLU P 19 -14.679 -0.763 9.189 1.00 2.19 N ATOM 1242 CA GLU P 19 -15.040 -0.926 7.794 1.00 2.09 C ATOM 1243 C GLU P 19 -14.259 -2.104 7.211 1.00 1.97 C ATOM 1244 O GLU P 19 -14.866 -3.089 6.818 1.00 1.99 O ATOM 1245 CB GLU P 19 -14.812 0.403 7.047 1.00 2.06 C ATOM 1246 CG GLU P 19 -15.425 0.465 5.635 1.00 2.13 C ATOM 1247 CD GLU P 19 -16.939 0.515 5.591 1.00 2.25 C ATOM 1248 OE1 GLU P 19 -17.563 0.732 6.650 1.00 2.88 O ATOM 1249 OE2 GLU P 19 -17.498 0.362 4.487 1.00 2.67 O ATOM 0 H GLU P 19 -14.183 0.109 9.373 1.00 2.19 H new ATOM 0 HA GLU P 19 -16.098 -1.164 7.682 1.00 2.09 H new ATOM 0 HB2 GLU P 19 -15.228 1.215 7.644 1.00 2.06 H new ATOM 0 HB3 GLU P 19 -13.739 0.581 6.970 1.00 2.06 H new ATOM 0 HG2 GLU P 19 -15.033 1.345 5.124 1.00 2.13 H new ATOM 0 HG3 GLU P 19 -15.090 -0.406 5.072 1.00 2.13 H new ATOM 1256 N PHE P 20 -12.927 -2.058 7.166 1.00 1.91 N ATOM 1257 CA PHE P 20 -12.123 -3.079 6.481 1.00 1.88 C ATOM 1258 C PHE P 20 -12.377 -4.494 7.012 1.00 2.01 C ATOM 1259 O PHE P 20 -12.416 -5.461 6.251 1.00 2.06 O ATOM 1260 CB PHE P 20 -10.635 -2.731 6.590 1.00 2.00 C ATOM 1261 CG PHE P 20 -9.688 -3.868 6.232 1.00 1.80 C ATOM 1262 CD1 PHE P 20 -9.644 -4.357 4.912 1.00 3.21 C ATOM 1263 CD2 PHE P 20 -9.019 -4.568 7.256 1.00 2.35 C ATOM 1264 CE1 PHE P 20 -8.894 -5.509 4.609 1.00 3.07 C ATOM 1265 CE2 PHE P 20 -8.302 -5.742 6.960 1.00 2.23 C ATOM 1266 CZ PHE P 20 -8.202 -6.186 5.630 1.00 1.34 C ATOM 0 H PHE P 20 -12.375 -1.318 7.600 1.00 1.91 H new ATOM 0 HA PHE P 20 -12.429 -3.078 5.435 1.00 1.88 H new ATOM 0 HB2 PHE P 20 -10.425 -1.883 5.938 1.00 2.00 H new ATOM 0 HB3 PHE P 20 -10.425 -2.409 7.610 1.00 2.00 H new ATOM 0 HD1 PHE P 20 -10.187 -3.847 4.130 1.00 3.21 H new ATOM 0 HD2 PHE P 20 -9.057 -4.202 8.271 1.00 2.35 H new ATOM 0 HE1 PHE P 20 -8.850 -5.873 3.593 1.00 3.07 H new ATOM 0 HE2 PHE P 20 -7.829 -6.301 7.754 1.00 2.23 H new ATOM 0 HZ PHE P 20 -7.594 -7.046 5.392 1.00 1.34 H new ATOM 1276 N HIS P 21 -12.520 -4.654 8.327 1.00 2.27 N ATOM 1277 CA HIS P 21 -12.791 -5.979 8.868 1.00 2.51 C ATOM 1278 C HIS P 21 -14.194 -6.469 8.483 1.00 2.47 C ATOM 1279 O HIS P 21 -14.468 -7.662 8.611 1.00 2.63 O ATOM 1280 CB HIS P 21 -12.551 -6.010 10.377 1.00 2.92 C ATOM 1281 CG HIS P 21 -11.091 -5.874 10.737 1.00 4.85 C ATOM 1282 ND1 HIS P 21 -10.411 -4.700 10.962 1.00 6.66 N ATOM 1283 CD2 HIS P 21 -10.194 -6.901 10.871 1.00 5.55 C ATOM 1284 CE1 HIS P 21 -9.135 -5.017 11.243 1.00 8.21 C ATOM 1285 NE2 HIS P 21 -8.951 -6.350 11.208 1.00 7.59 N ATOM 0 H HIS P 21 -12.455 -3.906 9.017 1.00 2.27 H new ATOM 0 HA HIS P 21 -12.088 -6.681 8.419 1.00 2.51 H new ATOM 0 HB2 HIS P 21 -13.114 -5.203 10.847 1.00 2.92 H new ATOM 0 HB3 HIS P 21 -12.936 -6.946 10.783 1.00 2.92 H new ATOM 0 HD1 HIS P 21 -10.804 -3.759 10.923 1.00 6.66 H new ATOM 0 HD2 HIS P 21 -10.408 -7.951 10.740 1.00 5.55 H new ATOM 0 HE1 HIS P 21 -8.361 -4.298 11.467 1.00 8.21 H new ATOM 1293 N PHE P 22 -15.072 -5.589 8.003 1.00 2.39 N ATOM 1294 CA PHE P 22 -16.396 -5.936 7.514 1.00 2.44 C ATOM 1295 C PHE P 22 -16.391 -5.995 5.982 1.00 2.35 C ATOM 1296 O PHE P 22 -16.485 -7.069 5.389 1.00 2.54 O ATOM 1297 CB PHE P 22 -17.418 -4.929 8.071 1.00 2.55 C ATOM 1298 CG PHE P 22 -18.786 -5.534 8.291 1.00 3.07 C ATOM 1299 CD1 PHE P 22 -19.618 -5.811 7.191 1.00 2.93 C ATOM 1300 CD2 PHE P 22 -19.176 -5.928 9.584 1.00 4.38 C ATOM 1301 CE1 PHE P 22 -20.829 -6.495 7.382 1.00 3.53 C ATOM 1302 CE2 PHE P 22 -20.388 -6.612 9.774 1.00 4.98 C ATOM 1303 CZ PHE P 22 -21.209 -6.908 8.671 1.00 4.35 C ATOM 0 H PHE P 22 -14.872 -4.591 7.944 1.00 2.39 H new ATOM 0 HA PHE P 22 -16.686 -6.927 7.863 1.00 2.44 H new ATOM 0 HB2 PHE P 22 -17.048 -4.529 9.015 1.00 2.55 H new ATOM 0 HB3 PHE P 22 -17.505 -4.089 7.381 1.00 2.55 H new ATOM 0 HD1 PHE P 22 -19.325 -5.498 6.200 1.00 2.93 H new ATOM 0 HD2 PHE P 22 -18.544 -5.705 10.430 1.00 4.38 H new ATOM 0 HE1 PHE P 22 -21.469 -6.704 6.538 1.00 3.53 H new ATOM 0 HE2 PHE P 22 -20.690 -6.911 10.767 1.00 4.98 H new ATOM 0 HZ PHE P 22 -22.131 -7.452 8.814 1.00 4.35 H new ATOM 1313 N ASN P 23 -16.296 -4.828 5.354 1.00 2.32 N ATOM 1314 CA ASN P 23 -16.415 -4.581 3.931 1.00 2.45 C ATOM 1315 C ASN P 23 -15.032 -4.685 3.319 1.00 2.02 C ATOM 1316 O ASN P 23 -14.244 -3.745 3.367 1.00 2.37 O ATOM 1317 CB ASN P 23 -17.022 -3.188 3.714 1.00 3.02 C ATOM 1318 CG ASN P 23 -18.450 -3.145 4.245 1.00 3.04 C ATOM 1319 OD1 ASN P 23 -19.178 -4.125 4.128 1.00 3.72 O ATOM 1320 ND2 ASN P 23 -18.871 -2.055 4.871 1.00 3.51 N ATOM 0 H ASN P 23 -16.120 -3.967 5.872 1.00 2.32 H new ATOM 0 HA ASN P 23 -17.069 -5.311 3.454 1.00 2.45 H new ATOM 0 HB2 ASN P 23 -16.416 -2.437 4.220 1.00 3.02 H new ATOM 0 HB3 ASN P 23 -17.014 -2.942 2.652 1.00 3.02 H new ATOM 0 HD21 ASN P 23 -19.812 -2.024 5.263 1.00 3.51 H new ATOM 0 HD22 ASN P 23 -18.254 -1.248 4.960 1.00 3.51 H new ATOM 1327 N ARG P 24 -14.722 -5.842 2.747 1.00 1.78 N ATOM 1328 CA ARG P 24 -13.468 -6.076 2.067 1.00 1.70 C ATOM 1329 C ARG P 24 -13.483 -5.291 0.761 1.00 1.79 C ATOM 1330 O ARG P 24 -12.596 -4.473 0.495 1.00 1.83 O ATOM 1331 CB ARG P 24 -13.308 -7.577 1.795 1.00 2.04 C ATOM 1332 CG ARG P 24 -13.570 -8.458 3.016 1.00 2.66 C ATOM 1333 CD ARG P 24 -12.682 -8.097 4.210 1.00 2.90 C ATOM 1334 NE ARG P 24 -11.262 -8.290 3.917 1.00 3.25 N ATOM 1335 CZ ARG P 24 -10.379 -8.512 4.889 1.00 4.88 C ATOM 1336 NH1 ARG P 24 -10.684 -8.087 6.116 1.00 6.37 N ATOM 1337 NH2 ARG P 24 -9.235 -9.139 4.620 1.00 5.71 N ATOM 0 H ARG P 24 -15.346 -6.649 2.746 1.00 1.78 H new ATOM 0 HA ARG P 24 -12.628 -5.748 2.680 1.00 1.70 H new ATOM 0 HB2 ARG P 24 -13.991 -7.867 0.997 1.00 2.04 H new ATOM 0 HB3 ARG P 24 -12.297 -7.765 1.433 1.00 2.04 H new ATOM 0 HG2 ARG P 24 -14.617 -8.366 3.307 1.00 2.66 H new ATOM 0 HG3 ARG P 24 -13.404 -9.501 2.748 1.00 2.66 H new ATOM 0 HD2 ARG P 24 -12.856 -7.058 4.490 1.00 2.90 H new ATOM 0 HD3 ARG P 24 -12.961 -8.709 5.067 1.00 2.90 H new ATOM 0 HE ARG P 24 -10.942 -8.254 2.949 1.00 3.25 H new ATOM 0 HH11 ARG P 24 -11.569 -7.610 6.285 1.00 6.37 H new ATOM 0 HH12 ARG P 24 -10.032 -8.240 6.885 1.00 6.37 H new ATOM 0 HH21 ARG P 24 -9.035 -9.449 3.669 1.00 5.71 H new ATOM 0 HH22 ARG P 24 -8.559 -9.309 5.365 1.00 5.71 H new ATOM 1351 N TYR P 25 -14.491 -5.552 -0.065 1.00 2.03 N ATOM 1352 CA TYR P 25 -14.703 -4.813 -1.290 1.00 2.26 C ATOM 1353 C TYR P 25 -15.454 -3.533 -0.932 1.00 2.12 C ATOM 1354 O TYR P 25 -16.483 -3.571 -0.254 1.00 2.61 O ATOM 1355 CB TYR P 25 -15.420 -5.689 -2.323 1.00 2.67 C ATOM 1356 CG TYR P 25 -14.569 -6.849 -2.817 1.00 2.79 C ATOM 1357 CD1 TYR P 25 -13.444 -6.597 -3.628 1.00 2.64 C ATOM 1358 CD2 TYR P 25 -14.872 -8.172 -2.441 1.00 4.20 C ATOM 1359 CE1 TYR P 25 -12.616 -7.657 -4.039 1.00 3.01 C ATOM 1360 CE2 TYR P 25 -14.065 -9.234 -2.887 1.00 4.49 C ATOM 1361 CZ TYR P 25 -12.923 -8.975 -3.662 1.00 3.51 C ATOM 1362 OH TYR P 25 -12.117 -10.008 -4.044 1.00 3.97 O ATOM 0 H TYR P 25 -15.181 -6.284 0.103 1.00 2.03 H new ATOM 0 HA TYR P 25 -13.762 -4.530 -1.762 1.00 2.26 H new ATOM 0 HB2 TYR P 25 -16.337 -6.081 -1.884 1.00 2.67 H new ATOM 0 HB3 TYR P 25 -15.712 -5.072 -3.173 1.00 2.67 H new ATOM 0 HD1 TYR P 25 -13.217 -5.587 -3.935 1.00 2.64 H new ATOM 0 HD2 TYR P 25 -15.725 -8.371 -1.809 1.00 4.20 H new ATOM 0 HE1 TYR P 25 -11.744 -7.458 -4.644 1.00 3.01 H new ATOM 0 HE2 TYR P 25 -14.324 -10.251 -2.633 1.00 4.49 H new ATOM 0 HH TYR P 25 -12.477 -10.850 -3.695 1.00 3.97 H new ATOM 1372 N LEU P 26 -14.898 -2.395 -1.335 1.00 1.92 N ATOM 1373 CA LEU P 26 -15.379 -1.061 -1.067 1.00 1.92 C ATOM 1374 C LEU P 26 -15.721 -0.437 -2.418 1.00 2.19 C ATOM 1375 O LEU P 26 -14.849 -0.350 -3.283 1.00 2.55 O ATOM 1376 CB LEU P 26 -14.235 -0.309 -0.383 1.00 1.92 C ATOM 1377 CG LEU P 26 -14.660 0.999 0.282 1.00 1.95 C ATOM 1378 CD1 LEU P 26 -15.456 0.689 1.552 1.00 2.63 C ATOM 1379 CD2 LEU P 26 -13.385 1.764 0.633 1.00 2.09 C ATOM 0 H LEU P 26 -14.044 -2.389 -1.893 1.00 1.92 H new ATOM 0 HA LEU P 26 -16.260 -1.036 -0.426 1.00 1.92 H new ATOM 0 HB2 LEU P 26 -13.786 -0.958 0.369 1.00 1.92 H new ATOM 0 HB3 LEU P 26 -13.462 -0.095 -1.121 1.00 1.92 H new ATOM 0 HG LEU P 26 -15.290 1.592 -0.381 1.00 1.95 H new ATOM 0 HD11 LEU P 26 -15.760 1.621 2.028 1.00 2.63 H new ATOM 0 HD12 LEU P 26 -16.341 0.108 1.294 1.00 2.63 H new ATOM 0 HD13 LEU P 26 -14.834 0.116 2.240 1.00 2.63 H new ATOM 0 HD21 LEU P 26 -13.647 2.708 1.112 1.00 2.09 H new ATOM 0 HD22 LEU P 26 -12.779 1.167 1.315 1.00 2.09 H new ATOM 0 HD23 LEU P 26 -12.818 1.964 -0.277 1.00 2.09 H new ATOM 1391 N THR P 27 -16.970 -0.042 -2.632 1.00 2.22 N ATOM 1392 CA THR P 27 -17.375 0.545 -3.896 1.00 2.36 C ATOM 1393 C THR P 27 -16.706 1.912 -4.072 1.00 2.36 C ATOM 1394 O THR P 27 -16.279 2.530 -3.094 1.00 2.57 O ATOM 1395 CB THR P 27 -18.905 0.625 -3.962 1.00 2.55 C ATOM 1396 OG1 THR P 27 -19.426 1.279 -2.818 1.00 3.72 O ATOM 1397 CG2 THR P 27 -19.511 -0.781 -4.058 1.00 2.90 C ATOM 0 H THR P 27 -17.718 -0.119 -1.943 1.00 2.22 H new ATOM 0 HA THR P 27 -17.047 -0.083 -4.725 1.00 2.36 H new ATOM 0 HB THR P 27 -19.170 1.197 -4.851 1.00 2.55 H new ATOM 0 HG1 THR P 27 -20.403 1.321 -2.882 1.00 3.72 H new ATOM 0 HG21 THR P 27 -20.597 -0.707 -4.104 1.00 2.90 H new ATOM 0 HG22 THR P 27 -19.143 -1.275 -4.957 1.00 2.90 H new ATOM 0 HG23 THR P 27 -19.224 -1.362 -3.181 1.00 2.90 H new ATOM 1405 N ARG P 28 -16.625 2.397 -5.309 1.00 2.47 N ATOM 1406 CA ARG P 28 -16.115 3.723 -5.615 1.00 2.51 C ATOM 1407 C ARG P 28 -16.879 4.765 -4.803 1.00 2.50 C ATOM 1408 O ARG P 28 -16.270 5.551 -4.080 1.00 2.78 O ATOM 1409 CB ARG P 28 -16.198 3.981 -7.121 1.00 2.69 C ATOM 1410 CG ARG P 28 -15.360 5.191 -7.534 1.00 2.78 C ATOM 1411 CD ARG P 28 -15.596 5.458 -9.020 1.00 3.05 C ATOM 1412 NE ARG P 28 -14.803 6.593 -9.503 1.00 3.70 N ATOM 1413 CZ ARG P 28 -14.528 6.843 -10.791 1.00 3.89 C ATOM 1414 NH1 ARG P 28 -15.008 6.050 -11.746 1.00 4.06 N ATOM 1415 NH2 ARG P 28 -13.759 7.891 -11.086 1.00 4.58 N ATOM 0 H ARG P 28 -16.916 1.871 -6.133 1.00 2.47 H new ATOM 0 HA ARG P 28 -15.064 3.794 -5.335 1.00 2.51 H new ATOM 0 HB2 ARG P 28 -15.854 3.099 -7.661 1.00 2.69 H new ATOM 0 HB3 ARG P 28 -17.237 4.144 -7.406 1.00 2.69 H new ATOM 0 HG2 ARG P 28 -15.638 6.064 -6.943 1.00 2.78 H new ATOM 0 HG3 ARG P 28 -14.303 5.002 -7.346 1.00 2.78 H new ATOM 0 HD2 ARG P 28 -15.342 4.567 -9.594 1.00 3.05 H new ATOM 0 HD3 ARG P 28 -16.654 5.656 -9.190 1.00 3.05 H new ATOM 0 HE ARG P 28 -14.433 7.241 -8.807 1.00 3.70 H new ATOM 0 HH11 ARG P 28 -15.588 5.248 -11.499 1.00 4.06 H new ATOM 0 HH12 ARG P 28 -14.796 6.244 -12.725 1.00 4.06 H new ATOM 0 HH21 ARG P 28 -13.394 8.482 -10.339 1.00 4.58 H new ATOM 0 HH22 ARG P 28 -13.536 8.102 -12.059 1.00 4.58 H new ATOM 1429 N ARG P 29 -18.212 4.743 -4.890 1.00 2.58 N ATOM 1430 CA ARG P 29 -19.070 5.625 -4.121 1.00 2.68 C ATOM 1431 C ARG P 29 -18.661 5.611 -2.652 1.00 2.52 C ATOM 1432 O ARG P 29 -18.276 6.645 -2.115 1.00 2.88 O ATOM 1433 CB ARG P 29 -20.545 5.229 -4.277 1.00 3.21 C ATOM 1434 CG ARG P 29 -21.189 5.635 -5.614 1.00 3.98 C ATOM 1435 CD ARG P 29 -21.050 7.123 -5.965 1.00 3.94 C ATOM 1436 NE ARG P 29 -21.243 7.989 -4.787 1.00 4.64 N ATOM 1437 CZ ARG P 29 -20.507 9.080 -4.511 1.00 5.41 C ATOM 1438 NH1 ARG P 29 -19.751 9.625 -5.467 1.00 6.09 N ATOM 1439 NH2 ARG P 29 -20.526 9.589 -3.283 1.00 6.36 N ATOM 0 H ARG P 29 -18.722 4.106 -5.502 1.00 2.58 H new ATOM 0 HA ARG P 29 -18.953 6.638 -4.505 1.00 2.68 H new ATOM 0 HB2 ARG P 29 -20.629 4.148 -4.164 1.00 3.21 H new ATOM 0 HB3 ARG P 29 -21.115 5.680 -3.465 1.00 3.21 H new ATOM 0 HG2 ARG P 29 -20.741 5.044 -6.412 1.00 3.98 H new ATOM 0 HG3 ARG P 29 -22.248 5.380 -5.584 1.00 3.98 H new ATOM 0 HD2 ARG P 29 -20.063 7.304 -6.390 1.00 3.94 H new ATOM 0 HD3 ARG P 29 -21.780 7.385 -6.731 1.00 3.94 H new ATOM 0 HE ARG P 29 -21.988 7.743 -4.135 1.00 4.64 H new ATOM 0 HH11 ARG P 29 -19.734 9.214 -6.400 1.00 6.09 H new ATOM 0 HH12 ARG P 29 -19.190 10.453 -5.264 1.00 6.09 H new ATOM 0 HH21 ARG P 29 -21.096 9.152 -2.559 1.00 6.36 H new ATOM 0 HH22 ARG P 29 -19.971 10.416 -3.065 1.00 6.36 H new ATOM 1453 N ARG P 30 -18.732 4.454 -1.992 1.00 2.44 N ATOM 1454 CA ARG P 30 -18.457 4.389 -0.564 1.00 2.31 C ATOM 1455 C ARG P 30 -17.050 4.905 -0.275 1.00 2.06 C ATOM 1456 O ARG P 30 -16.871 5.665 0.665 1.00 2.04 O ATOM 1457 CB ARG P 30 -18.646 2.954 -0.060 1.00 2.36 C ATOM 1458 CG ARG P 30 -18.279 2.716 1.414 1.00 2.86 C ATOM 1459 CD ARG P 30 -19.182 3.405 2.444 1.00 2.98 C ATOM 1460 NE ARG P 30 -18.989 2.839 3.797 1.00 2.93 N ATOM 1461 CZ ARG P 30 -19.554 3.337 4.914 1.00 3.24 C ATOM 1462 NH1 ARG P 30 -20.444 4.327 4.851 1.00 3.86 N ATOM 1463 NH2 ARG P 30 -19.211 2.854 6.105 1.00 4.15 N ATOM 0 H ARG P 30 -18.975 3.561 -2.421 1.00 2.44 H new ATOM 0 HA ARG P 30 -19.160 5.028 -0.030 1.00 2.31 H new ATOM 0 HB2 ARG P 30 -19.688 2.670 -0.207 1.00 2.36 H new ATOM 0 HB3 ARG P 30 -18.044 2.288 -0.678 1.00 2.36 H new ATOM 0 HG2 ARG P 30 -18.295 1.643 1.604 1.00 2.86 H new ATOM 0 HG3 ARG P 30 -17.255 3.053 1.573 1.00 2.86 H new ATOM 0 HD2 ARG P 30 -18.967 4.473 2.461 1.00 2.98 H new ATOM 0 HD3 ARG P 30 -20.225 3.294 2.147 1.00 2.98 H new ATOM 0 HE ARG P 30 -18.390 2.019 3.890 1.00 2.93 H new ATOM 0 HH11 ARG P 30 -20.707 4.719 3.947 1.00 3.86 H new ATOM 0 HH12 ARG P 30 -20.862 4.692 5.707 1.00 3.86 H new ATOM 0 HH21 ARG P 30 -18.520 2.107 6.173 1.00 4.15 H new ATOM 0 HH22 ARG P 30 -19.639 3.231 6.951 1.00 4.15 H new ATOM 1477 N ARG P 31 -16.037 4.527 -1.058 1.00 1.95 N ATOM 1478 CA ARG P 31 -14.689 5.023 -0.862 1.00 1.80 C ATOM 1479 C ARG P 31 -14.624 6.551 -0.892 1.00 1.83 C ATOM 1480 O ARG P 31 -14.004 7.158 -0.021 1.00 1.82 O ATOM 1481 CB ARG P 31 -13.784 4.410 -1.927 1.00 1.86 C ATOM 1482 CG ARG P 31 -12.316 4.669 -1.587 1.00 2.16 C ATOM 1483 CD ARG P 31 -11.300 3.999 -2.526 1.00 1.83 C ATOM 1484 NE ARG P 31 -11.452 2.535 -2.583 1.00 1.65 N ATOM 1485 CZ ARG P 31 -12.293 1.880 -3.394 1.00 2.71 C ATOM 1486 NH1 ARG P 31 -13.079 2.560 -4.224 1.00 4.10 N ATOM 1487 NH2 ARG P 31 -12.353 0.553 -3.372 1.00 3.55 N ATOM 0 H ARG P 31 -16.134 3.875 -1.836 1.00 1.95 H new ATOM 0 HA ARG P 31 -14.347 4.726 0.129 1.00 1.80 H new ATOM 0 HB2 ARG P 31 -13.965 3.337 -1.995 1.00 1.86 H new ATOM 0 HB3 ARG P 31 -14.019 4.835 -2.903 1.00 1.86 H new ATOM 0 HG2 ARG P 31 -12.141 5.745 -1.597 1.00 2.16 H new ATOM 0 HG3 ARG P 31 -12.129 4.325 -0.570 1.00 2.16 H new ATOM 0 HD2 ARG P 31 -11.413 4.410 -3.529 1.00 1.83 H new ATOM 0 HD3 ARG P 31 -10.291 4.242 -2.194 1.00 1.83 H new ATOM 0 HE ARG P 31 -10.872 1.977 -1.956 1.00 1.65 H new ATOM 0 HH11 ARG P 31 -13.041 3.579 -4.242 1.00 4.10 H new ATOM 0 HH12 ARG P 31 -13.720 2.062 -4.842 1.00 4.10 H new ATOM 0 HH21 ARG P 31 -11.756 0.026 -2.735 1.00 3.55 H new ATOM 0 HH22 ARG P 31 -12.996 0.061 -3.993 1.00 3.55 H new ATOM 1501 N ILE P 32 -15.254 7.175 -1.888 1.00 1.94 N ATOM 1502 CA ILE P 32 -15.379 8.623 -1.941 1.00 1.99 C ATOM 1503 C ILE P 32 -16.018 9.150 -0.652 1.00 2.01 C ATOM 1504 O ILE P 32 -15.496 10.071 -0.027 1.00 2.01 O ATOM 1505 CB ILE P 32 -16.110 9.053 -3.224 1.00 2.15 C ATOM 1506 CG1 ILE P 32 -15.273 8.694 -4.466 1.00 2.21 C ATOM 1507 CG2 ILE P 32 -16.416 10.554 -3.221 1.00 2.20 C ATOM 1508 CD1 ILE P 32 -16.123 8.661 -5.741 1.00 2.54 C ATOM 0 H ILE P 32 -15.688 6.690 -2.674 1.00 1.94 H new ATOM 0 HA ILE P 32 -14.390 9.079 -1.994 1.00 1.99 H new ATOM 0 HB ILE P 32 -17.056 8.513 -3.258 1.00 2.15 H new ATOM 0 HG12 ILE P 32 -14.470 9.421 -4.584 1.00 2.21 H new ATOM 0 HG13 ILE P 32 -14.803 7.722 -4.318 1.00 2.21 H new ATOM 0 HG21 ILE P 32 -16.933 10.822 -4.143 1.00 2.20 H new ATOM 0 HG22 ILE P 32 -17.049 10.795 -2.367 1.00 2.20 H new ATOM 0 HG23 ILE P 32 -15.484 11.115 -3.151 1.00 2.20 H new ATOM 0 HD11 ILE P 32 -15.492 8.404 -6.592 1.00 2.54 H new ATOM 0 HD12 ILE P 32 -16.910 7.915 -5.634 1.00 2.54 H new ATOM 0 HD13 ILE P 32 -16.572 9.641 -5.905 1.00 2.54 H new ATOM 1520 N GLU P 33 -17.133 8.561 -0.239 1.00 2.08 N ATOM 1521 CA GLU P 33 -17.846 8.991 0.946 1.00 2.15 C ATOM 1522 C GLU P 33 -16.969 8.900 2.208 1.00 2.03 C ATOM 1523 O GLU P 33 -16.847 9.896 2.921 1.00 2.09 O ATOM 1524 CB GLU P 33 -19.193 8.264 1.033 1.00 2.35 C ATOM 1525 CG GLU P 33 -20.025 8.658 -0.201 1.00 2.57 C ATOM 1526 CD GLU P 33 -21.367 7.990 -0.320 1.00 2.88 C ATOM 1527 OE1 GLU P 33 -21.857 7.414 0.676 1.00 3.66 O ATOM 1528 OE2 GLU P 33 -21.943 8.105 -1.428 1.00 3.37 O ATOM 0 H GLU P 33 -17.565 7.772 -0.720 1.00 2.08 H new ATOM 0 HA GLU P 33 -18.081 10.053 0.871 1.00 2.15 H new ATOM 0 HB2 GLU P 33 -19.043 7.185 1.063 1.00 2.35 H new ATOM 0 HB3 GLU P 33 -19.716 8.538 1.949 1.00 2.35 H new ATOM 0 HG2 GLU P 33 -20.177 9.737 -0.185 1.00 2.57 H new ATOM 0 HG3 GLU P 33 -19.445 8.430 -1.096 1.00 2.57 H new ATOM 1535 N ILE P 34 -16.326 7.755 2.438 1.00 1.92 N ATOM 1536 CA ILE P 34 -15.340 7.526 3.491 1.00 1.80 C ATOM 1537 C ILE P 34 -14.317 8.661 3.445 1.00 1.69 C ATOM 1538 O ILE P 34 -14.102 9.368 4.427 1.00 1.75 O ATOM 1539 CB ILE P 34 -14.657 6.159 3.260 1.00 1.67 C ATOM 1540 CG1 ILE P 34 -15.621 4.973 3.437 1.00 2.01 C ATOM 1541 CG2 ILE P 34 -13.412 5.969 4.139 1.00 1.51 C ATOM 1542 CD1 ILE P 34 -15.737 4.519 4.886 1.00 2.03 C ATOM 0 H ILE P 34 -16.487 6.924 1.868 1.00 1.92 H new ATOM 0 HA ILE P 34 -15.815 7.510 4.472 1.00 1.80 H new ATOM 0 HB ILE P 34 -14.336 6.172 2.218 1.00 1.67 H new ATOM 0 HG12 ILE P 34 -16.608 5.254 3.069 1.00 2.01 H new ATOM 0 HG13 ILE P 34 -15.279 4.138 2.826 1.00 2.01 H new ATOM 0 HG21 ILE P 34 -12.970 4.993 3.938 1.00 1.51 H new ATOM 0 HG22 ILE P 34 -12.685 6.750 3.914 1.00 1.51 H new ATOM 0 HG23 ILE P 34 -13.696 6.029 5.190 1.00 1.51 H new ATOM 0 HD11 ILE P 34 -16.430 3.680 4.950 1.00 2.03 H new ATOM 0 HD12 ILE P 34 -14.757 4.209 5.250 1.00 2.03 H new ATOM 0 HD13 ILE P 34 -16.107 5.343 5.497 1.00 2.03 H new ATOM 1554 N ALA P 35 -13.686 8.819 2.283 1.00 1.57 N ATOM 1555 CA ALA P 35 -12.658 9.824 2.049 1.00 1.50 C ATOM 1556 C ALA P 35 -13.137 11.211 2.482 1.00 1.65 C ATOM 1557 O ALA P 35 -12.429 11.903 3.206 1.00 1.71 O ATOM 1558 CB ALA P 35 -12.209 9.797 0.581 1.00 1.44 C ATOM 0 H ALA P 35 -13.880 8.241 1.465 1.00 1.57 H new ATOM 0 HA ALA P 35 -11.789 9.586 2.662 1.00 1.50 H new ATOM 0 HB1 ALA P 35 -11.441 10.553 0.422 1.00 1.44 H new ATOM 0 HB2 ALA P 35 -11.805 8.813 0.342 1.00 1.44 H new ATOM 0 HB3 ALA P 35 -13.062 10.005 -0.064 1.00 1.44 H new ATOM 1564 N HIS P 36 -14.327 11.629 2.055 1.00 1.74 N ATOM 1565 CA HIS P 36 -14.874 12.931 2.417 1.00 1.88 C ATOM 1566 C HIS P 36 -15.223 13.021 3.905 1.00 2.00 C ATOM 1567 O HIS P 36 -15.085 14.087 4.506 1.00 2.12 O ATOM 1568 CB HIS P 36 -16.096 13.250 1.549 1.00 2.00 C ATOM 1569 CG HIS P 36 -15.710 13.948 0.272 1.00 2.06 C ATOM 1570 ND1 HIS P 36 -15.415 15.285 0.155 1.00 2.23 N ATOM 1571 CD2 HIS P 36 -15.485 13.368 -0.945 1.00 2.23 C ATOM 1572 CE1 HIS P 36 -15.066 15.518 -1.122 1.00 2.34 C ATOM 1573 NE2 HIS P 36 -15.098 14.378 -1.841 1.00 2.31 N ATOM 0 H HIS P 36 -14.935 11.076 1.451 1.00 1.74 H new ATOM 0 HA HIS P 36 -14.101 13.676 2.230 1.00 1.88 H new ATOM 0 HB2 HIS P 36 -16.625 12.327 1.313 1.00 2.00 H new ATOM 0 HB3 HIS P 36 -16.787 13.878 2.111 1.00 2.00 H new ATOM 0 HD2 HIS P 36 -15.587 12.318 -1.177 1.00 2.23 H new ATOM 0 HE1 HIS P 36 -14.797 16.486 -1.518 1.00 2.34 H new ATOM 0 HE2 HIS P 36 -14.885 14.271 -2.833 1.00 2.31 H new ATOM 1581 N ALA P 37 -15.723 11.927 4.479 1.00 2.03 N ATOM 1582 CA ALA P 37 -16.150 11.859 5.868 1.00 2.17 C ATOM 1583 C ALA P 37 -14.948 12.076 6.783 1.00 2.16 C ATOM 1584 O ALA P 37 -14.940 12.963 7.632 1.00 2.33 O ATOM 1585 CB ALA P 37 -16.796 10.496 6.132 1.00 2.22 C ATOM 0 H ALA P 37 -15.843 11.047 3.977 1.00 2.03 H new ATOM 0 HA ALA P 37 -16.884 12.639 6.071 1.00 2.17 H new ATOM 0 HB1 ALA P 37 -17.117 10.441 7.172 1.00 2.22 H new ATOM 0 HB2 ALA P 37 -17.659 10.370 5.478 1.00 2.22 H new ATOM 0 HB3 ALA P 37 -16.072 9.706 5.934 1.00 2.22 H new ATOM 1591 N LEU P 38 -13.919 11.251 6.607 1.00 1.99 N ATOM 1592 CA LEU P 38 -12.683 11.360 7.365 1.00 2.00 C ATOM 1593 C LEU P 38 -11.828 12.535 6.894 1.00 1.96 C ATOM 1594 O LEU P 38 -10.944 12.960 7.632 1.00 2.04 O ATOM 1595 CB LEU P 38 -11.901 10.046 7.269 1.00 1.88 C ATOM 1596 CG LEU P 38 -12.475 8.953 8.180 1.00 2.02 C ATOM 1597 CD1 LEU P 38 -11.683 7.669 7.940 1.00 1.89 C ATOM 1598 CD2 LEU P 38 -12.352 9.333 9.663 1.00 2.56 C ATOM 0 H LEU P 38 -13.922 10.487 5.932 1.00 1.99 H new ATOM 0 HA LEU P 38 -12.940 11.551 8.407 1.00 2.00 H new ATOM 0 HB2 LEU P 38 -11.910 9.696 6.237 1.00 1.88 H new ATOM 0 HB3 LEU P 38 -10.860 10.226 7.535 1.00 1.88 H new ATOM 0 HG LEU P 38 -13.532 8.823 7.947 1.00 2.02 H new ATOM 0 HD11 LEU P 38 -12.074 6.876 8.578 1.00 1.89 H new ATOM 0 HD12 LEU P 38 -11.777 7.374 6.895 1.00 1.89 H new ATOM 0 HD13 LEU P 38 -10.633 7.840 8.176 1.00 1.89 H new ATOM 0 HD21 LEU P 38 -12.769 8.536 10.279 1.00 2.56 H new ATOM 0 HD22 LEU P 38 -11.301 9.476 9.916 1.00 2.56 H new ATOM 0 HD23 LEU P 38 -12.899 10.258 9.848 1.00 2.56 H new ATOM 1610 N SER P 39 -12.072 13.053 5.692 1.00 1.88 N ATOM 1611 CA SER P 39 -11.290 14.120 5.089 1.00 1.86 C ATOM 1612 C SER P 39 -9.873 13.611 4.806 1.00 1.73 C ATOM 1613 O SER P 39 -8.900 14.017 5.446 1.00 1.63 O ATOM 1614 CB SER P 39 -11.325 15.386 5.954 1.00 2.06 C ATOM 1615 OG SER P 39 -12.638 15.636 6.442 1.00 2.20 O ATOM 0 H SER P 39 -12.838 12.732 5.100 1.00 1.88 H new ATOM 0 HA SER P 39 -11.728 14.410 4.134 1.00 1.86 H new ATOM 0 HB2 SER P 39 -10.637 15.277 6.792 1.00 2.06 H new ATOM 0 HB3 SER P 39 -10.982 16.240 5.369 1.00 2.06 H new ATOM 0 HG SER P 39 -12.634 16.447 6.992 1.00 2.20 H new ATOM 1621 N LEU P 40 -9.784 12.671 3.870 1.00 1.80 N ATOM 1622 CA LEU P 40 -8.573 12.030 3.380 1.00 1.68 C ATOM 1623 C LEU P 40 -8.716 11.950 1.856 1.00 1.64 C ATOM 1624 O LEU P 40 -9.810 12.185 1.338 1.00 1.81 O ATOM 1625 CB LEU P 40 -8.473 10.620 3.984 1.00 1.58 C ATOM 1626 CG LEU P 40 -8.391 10.574 5.520 1.00 1.65 C ATOM 1627 CD1 LEU P 40 -8.572 9.127 5.993 1.00 1.69 C ATOM 1628 CD2 LEU P 40 -7.047 11.108 6.024 1.00 1.68 C ATOM 0 H LEU P 40 -10.617 12.313 3.402 1.00 1.80 H new ATOM 0 HA LEU P 40 -7.675 12.582 3.656 1.00 1.68 H new ATOM 0 HB2 LEU P 40 -9.340 10.042 3.664 1.00 1.58 H new ATOM 0 HB3 LEU P 40 -7.592 10.127 3.573 1.00 1.58 H new ATOM 0 HG LEU P 40 -9.181 11.207 5.924 1.00 1.65 H new ATOM 0 HD11 LEU P 40 -8.515 9.090 7.081 1.00 1.69 H new ATOM 0 HD12 LEU P 40 -9.544 8.757 5.668 1.00 1.69 H new ATOM 0 HD13 LEU P 40 -7.786 8.504 5.567 1.00 1.69 H new ATOM 0 HD21 LEU P 40 -7.022 11.062 7.113 1.00 1.68 H new ATOM 0 HD22 LEU P 40 -6.238 10.501 5.616 1.00 1.68 H new ATOM 0 HD23 LEU P 40 -6.922 12.142 5.702 1.00 1.68 H new ATOM 1640 N THR P 41 -7.655 11.622 1.118 1.00 1.56 N ATOM 1641 CA THR P 41 -7.781 11.364 -0.313 1.00 1.54 C ATOM 1642 C THR P 41 -8.367 9.966 -0.531 1.00 1.27 C ATOM 1643 O THR P 41 -8.258 9.100 0.341 1.00 1.12 O ATOM 1644 CB THR P 41 -6.418 11.519 -1.007 1.00 1.76 C ATOM 1645 OG1 THR P 41 -5.420 10.802 -0.305 1.00 1.73 O ATOM 1646 CG2 THR P 41 -6.019 12.992 -1.094 1.00 2.26 C ATOM 0 H THR P 41 -6.708 11.530 1.485 1.00 1.56 H new ATOM 0 HA THR P 41 -8.459 12.093 -0.757 1.00 1.54 H new ATOM 0 HB THR P 41 -6.508 11.116 -2.016 1.00 1.76 H new ATOM 0 HG1 THR P 41 -4.559 10.909 -0.760 1.00 1.73 H new ATOM 0 HG21 THR P 41 -5.051 13.078 -1.589 1.00 2.26 H new ATOM 0 HG22 THR P 41 -6.769 13.539 -1.666 1.00 2.26 H new ATOM 0 HG23 THR P 41 -5.952 13.411 -0.090 1.00 2.26 H new ATOM 1654 N GLU P 42 -8.951 9.709 -1.706 1.00 1.33 N ATOM 1655 CA GLU P 42 -9.330 8.353 -2.088 1.00 1.21 C ATOM 1656 C GLU P 42 -8.094 7.452 -1.989 1.00 0.99 C ATOM 1657 O GLU P 42 -8.189 6.332 -1.492 1.00 0.83 O ATOM 1658 CB GLU P 42 -9.906 8.330 -3.509 1.00 1.49 C ATOM 1659 CG GLU P 42 -11.190 9.154 -3.676 1.00 1.96 C ATOM 1660 CD GLU P 42 -11.372 9.502 -5.136 1.00 2.68 C ATOM 1661 OE1 GLU P 42 -11.610 8.560 -5.926 1.00 3.68 O ATOM 1662 OE2 GLU P 42 -11.178 10.690 -5.478 1.00 3.14 O ATOM 0 H GLU P 42 -9.169 10.421 -2.403 1.00 1.33 H new ATOM 0 HA GLU P 42 -10.105 7.987 -1.415 1.00 1.21 H new ATOM 0 HB2 GLU P 42 -9.153 8.706 -4.201 1.00 1.49 H new ATOM 0 HB3 GLU P 42 -10.110 7.297 -3.790 1.00 1.49 H new ATOM 0 HG2 GLU P 42 -12.049 8.588 -3.315 1.00 1.96 H new ATOM 0 HG3 GLU P 42 -11.133 10.063 -3.078 1.00 1.96 H new ATOM 1669 N ARG P 43 -6.932 7.954 -2.428 1.00 1.05 N ATOM 1670 CA ARG P 43 -5.669 7.234 -2.346 1.00 0.99 C ATOM 1671 C ARG P 43 -5.466 6.742 -0.928 1.00 0.78 C ATOM 1672 O ARG P 43 -5.254 5.559 -0.725 1.00 0.60 O ATOM 1673 CB ARG P 43 -4.466 8.079 -2.803 1.00 1.23 C ATOM 1674 CG ARG P 43 -3.168 7.243 -2.852 1.00 1.51 C ATOM 1675 CD ARG P 43 -2.172 7.474 -1.694 1.00 1.50 C ATOM 1676 NE ARG P 43 -1.528 8.785 -1.820 1.00 1.43 N ATOM 1677 CZ ARG P 43 -1.286 9.658 -0.835 1.00 1.96 C ATOM 1678 NH1 ARG P 43 -1.388 9.279 0.444 1.00 3.57 N ATOM 1679 NH2 ARG P 43 -0.935 10.895 -1.173 1.00 2.07 N ATOM 0 H ARG P 43 -6.849 8.878 -2.852 1.00 1.05 H new ATOM 0 HA ARG P 43 -5.726 6.389 -3.032 1.00 0.99 H new ATOM 0 HB2 ARG P 43 -4.668 8.496 -3.790 1.00 1.23 H new ATOM 0 HB3 ARG P 43 -4.332 8.920 -2.123 1.00 1.23 H new ATOM 0 HG2 ARG P 43 -3.439 6.187 -2.867 1.00 1.51 H new ATOM 0 HG3 ARG P 43 -2.658 7.454 -3.792 1.00 1.51 H new ATOM 0 HD2 ARG P 43 -2.695 7.410 -0.740 1.00 1.50 H new ATOM 0 HD3 ARG P 43 -1.415 6.690 -1.696 1.00 1.50 H new ATOM 0 HE ARG P 43 -1.233 9.061 -2.757 1.00 1.43 H new ATOM 0 HH11 ARG P 43 -1.651 8.320 0.672 1.00 3.57 H new ATOM 0 HH12 ARG P 43 -1.202 9.949 1.191 1.00 3.57 H new ATOM 0 HH21 ARG P 43 -0.858 11.152 -2.157 1.00 2.07 H new ATOM 0 HH22 ARG P 43 -0.743 11.587 -0.448 1.00 2.07 H new ATOM 1693 N GLN P 44 -5.525 7.624 0.063 1.00 0.88 N ATOM 1694 CA GLN P 44 -5.293 7.197 1.430 1.00 0.85 C ATOM 1695 C GLN P 44 -6.228 6.046 1.816 1.00 0.77 C ATOM 1696 O GLN P 44 -5.768 5.051 2.359 1.00 0.75 O ATOM 1697 CB GLN P 44 -5.423 8.405 2.366 1.00 1.03 C ATOM 1698 CG GLN P 44 -4.172 9.273 2.227 1.00 1.43 C ATOM 1699 CD GLN P 44 -4.233 10.569 3.027 1.00 1.67 C ATOM 1700 OE1 GLN P 44 -5.205 11.323 2.947 1.00 2.30 O ATOM 1701 NE2 GLN P 44 -3.182 10.857 3.783 1.00 1.88 N ATOM 0 H GLN P 44 -5.727 8.617 -0.053 1.00 0.88 H new ATOM 0 HA GLN P 44 -4.280 6.805 1.525 1.00 0.85 H new ATOM 0 HB2 GLN P 44 -6.313 8.983 2.115 1.00 1.03 H new ATOM 0 HB3 GLN P 44 -5.539 8.072 3.398 1.00 1.03 H new ATOM 0 HG2 GLN P 44 -3.304 8.698 2.549 1.00 1.43 H new ATOM 0 HG3 GLN P 44 -4.022 9.513 1.174 1.00 1.43 H new ATOM 0 HE21 GLN P 44 -2.393 10.212 3.827 1.00 1.88 H new ATOM 0 HE22 GLN P 44 -3.162 11.724 4.320 1.00 1.88 H new ATOM 1710 N ILE P 45 -7.518 6.116 1.484 1.00 0.80 N ATOM 1711 CA ILE P 45 -8.422 5.004 1.781 1.00 0.78 C ATOM 1712 C ILE P 45 -7.947 3.725 1.073 1.00 0.72 C ATOM 1713 O ILE P 45 -7.785 2.675 1.698 1.00 0.92 O ATOM 1714 CB ILE P 45 -9.879 5.346 1.418 1.00 0.94 C ATOM 1715 CG1 ILE P 45 -10.339 6.715 1.948 1.00 1.20 C ATOM 1716 CG2 ILE P 45 -10.814 4.248 1.945 1.00 0.90 C ATOM 1717 CD1 ILE P 45 -10.003 6.963 3.423 1.00 1.29 C ATOM 0 H ILE P 45 -7.953 6.913 1.019 1.00 0.80 H new ATOM 0 HA ILE P 45 -8.399 4.825 2.856 1.00 0.78 H new ATOM 0 HB ILE P 45 -9.924 5.402 0.330 1.00 0.94 H new ATOM 0 HG12 ILE P 45 -9.879 7.498 1.346 1.00 1.20 H new ATOM 0 HG13 ILE P 45 -11.417 6.801 1.813 1.00 1.20 H new ATOM 0 HG21 ILE P 45 -11.844 4.493 1.687 1.00 0.90 H new ATOM 0 HG22 ILE P 45 -10.544 3.293 1.494 1.00 0.90 H new ATOM 0 HG23 ILE P 45 -10.718 4.178 3.029 1.00 0.90 H new ATOM 0 HD11 ILE P 45 -10.361 7.950 3.717 1.00 1.29 H new ATOM 0 HD12 ILE P 45 -10.485 6.204 4.039 1.00 1.29 H new ATOM 0 HD13 ILE P 45 -8.923 6.912 3.564 1.00 1.29 H new ATOM 1729 N LYS P 46 -7.721 3.815 -0.241 1.00 0.71 N ATOM 1730 CA LYS P 46 -7.212 2.740 -1.090 1.00 0.73 C ATOM 1731 C LYS P 46 -6.020 2.075 -0.388 1.00 0.68 C ATOM 1732 O LYS P 46 -6.076 0.889 -0.059 1.00 0.66 O ATOM 1733 CB LYS P 46 -6.874 3.332 -2.478 1.00 0.92 C ATOM 1734 CG LYS P 46 -6.275 2.381 -3.524 1.00 1.30 C ATOM 1735 CD LYS P 46 -5.773 3.187 -4.744 1.00 1.53 C ATOM 1736 CE LYS P 46 -5.090 2.264 -5.770 1.00 1.84 C ATOM 1737 NZ LYS P 46 -4.292 2.980 -6.795 1.00 2.39 N ATOM 0 H LYS P 46 -7.896 4.675 -0.761 1.00 0.71 H new ATOM 0 HA LYS P 46 -7.952 1.956 -1.251 1.00 0.73 H new ATOM 0 HB2 LYS P 46 -7.787 3.758 -2.894 1.00 0.92 H new ATOM 0 HB3 LYS P 46 -6.175 4.156 -2.332 1.00 0.92 H new ATOM 0 HG2 LYS P 46 -5.451 1.817 -3.086 1.00 1.30 H new ATOM 0 HG3 LYS P 46 -7.025 1.656 -3.840 1.00 1.30 H new ATOM 0 HD2 LYS P 46 -6.611 3.702 -5.214 1.00 1.53 H new ATOM 0 HD3 LYS P 46 -5.071 3.953 -4.415 1.00 1.53 H new ATOM 0 HE2 LYS P 46 -4.440 1.568 -5.240 1.00 1.84 H new ATOM 0 HE3 LYS P 46 -5.853 1.668 -6.271 1.00 1.84 H new ATOM 0 HZ1 LYS P 46 -3.865 2.291 -7.447 1.00 2.39 H new ATOM 0 HZ2 LYS P 46 -4.910 3.624 -7.328 1.00 2.39 H new ATOM 0 HZ3 LYS P 46 -3.540 3.528 -6.330 1.00 2.39 H new ATOM 1751 N ILE P 47 -4.981 2.859 -0.107 1.00 0.73 N ATOM 1752 CA ILE P 47 -3.747 2.452 0.547 1.00 0.76 C ATOM 1753 C ILE P 47 -4.032 1.800 1.887 1.00 0.72 C ATOM 1754 O ILE P 47 -3.521 0.721 2.152 1.00 0.75 O ATOM 1755 CB ILE P 47 -2.802 3.664 0.696 1.00 0.87 C ATOM 1756 CG1 ILE P 47 -2.325 4.219 -0.657 1.00 0.87 C ATOM 1757 CG2 ILE P 47 -1.560 3.345 1.536 1.00 0.93 C ATOM 1758 CD1 ILE P 47 -2.220 3.172 -1.761 1.00 0.99 C ATOM 0 H ILE P 47 -4.982 3.851 -0.345 1.00 0.73 H new ATOM 0 HA ILE P 47 -3.250 1.707 -0.075 1.00 0.76 H new ATOM 0 HB ILE P 47 -3.406 4.415 1.205 1.00 0.87 H new ATOM 0 HG12 ILE P 47 -3.012 5.002 -0.978 1.00 0.87 H new ATOM 0 HG13 ILE P 47 -1.350 4.687 -0.522 1.00 0.87 H new ATOM 0 HG21 ILE P 47 -0.931 4.233 1.608 1.00 0.93 H new ATOM 0 HG22 ILE P 47 -1.866 3.036 2.535 1.00 0.93 H new ATOM 0 HG23 ILE P 47 -0.998 2.540 1.063 1.00 0.93 H new ATOM 0 HD11 ILE P 47 -1.877 3.646 -2.681 1.00 0.99 H new ATOM 0 HD12 ILE P 47 -1.510 2.400 -1.464 1.00 0.99 H new ATOM 0 HD13 ILE P 47 -3.198 2.720 -1.928 1.00 0.99 H new ATOM 1770 N TRP P 48 -4.805 2.437 2.756 1.00 0.70 N ATOM 1771 CA TRP P 48 -5.070 1.936 4.093 1.00 0.75 C ATOM 1772 C TRP P 48 -5.617 0.505 3.996 1.00 0.62 C ATOM 1773 O TRP P 48 -5.064 -0.444 4.555 1.00 0.72 O ATOM 1774 CB TRP P 48 -6.025 2.916 4.792 1.00 0.90 C ATOM 1775 CG TRP P 48 -6.190 2.757 6.268 1.00 1.13 C ATOM 1776 CD1 TRP P 48 -5.668 3.575 7.209 1.00 1.46 C ATOM 1777 CD2 TRP P 48 -6.912 1.727 6.999 1.00 1.17 C ATOM 1778 NE1 TRP P 48 -6.020 3.129 8.464 1.00 1.67 N ATOM 1779 CE2 TRP P 48 -6.779 1.979 8.397 1.00 1.51 C ATOM 1780 CE3 TRP P 48 -7.675 0.607 6.618 1.00 1.07 C ATOM 1781 CZ2 TRP P 48 -7.349 1.134 9.361 1.00 1.68 C ATOM 1782 CZ3 TRP P 48 -8.132 -0.312 7.576 1.00 1.30 C ATOM 1783 CH2 TRP P 48 -7.962 -0.056 8.945 1.00 1.56 C ATOM 0 H TRP P 48 -5.268 3.322 2.549 1.00 0.70 H new ATOM 0 HA TRP P 48 -4.164 1.878 4.696 1.00 0.75 H new ATOM 0 HB2 TRP P 48 -5.675 3.930 4.596 1.00 0.90 H new ATOM 0 HB3 TRP P 48 -7.007 2.823 4.328 1.00 0.90 H new ATOM 0 HD1 TRP P 48 -5.065 4.448 7.007 1.00 1.46 H new ATOM 0 HE1 TRP P 48 -5.753 3.591 9.333 1.00 1.67 H new ATOM 0 HE3 TRP P 48 -7.912 0.453 5.576 1.00 1.07 H new ATOM 0 HZ2 TRP P 48 -7.316 1.396 10.408 1.00 1.68 H new ATOM 0 HZ3 TRP P 48 -8.618 -1.222 7.257 1.00 1.30 H new ATOM 0 HH2 TRP P 48 -8.303 -0.774 9.676 1.00 1.56 H new ATOM 1794 N PHE P 49 -6.685 0.331 3.218 1.00 0.49 N ATOM 1795 CA PHE P 49 -7.360 -0.954 3.049 1.00 0.50 C ATOM 1796 C PHE P 49 -6.398 -1.980 2.454 1.00 0.44 C ATOM 1797 O PHE P 49 -6.232 -3.081 2.975 1.00 0.45 O ATOM 1798 CB PHE P 49 -8.578 -0.782 2.129 1.00 0.65 C ATOM 1799 CG PHE P 49 -9.872 -0.410 2.824 1.00 0.77 C ATOM 1800 CD1 PHE P 49 -10.036 0.870 3.382 1.00 1.25 C ATOM 1801 CD2 PHE P 49 -10.954 -1.312 2.805 1.00 1.31 C ATOM 1802 CE1 PHE P 49 -11.299 1.270 3.845 1.00 1.40 C ATOM 1803 CE2 PHE P 49 -12.209 -0.913 3.286 1.00 1.62 C ATOM 1804 CZ PHE P 49 -12.384 0.386 3.784 1.00 1.40 C ATOM 0 H PHE P 49 -7.110 1.087 2.682 1.00 0.49 H new ATOM 0 HA PHE P 49 -7.694 -1.311 4.023 1.00 0.50 H new ATOM 0 HB2 PHE P 49 -8.348 -0.014 1.391 1.00 0.65 H new ATOM 0 HB3 PHE P 49 -8.733 -1.712 1.583 1.00 0.65 H new ATOM 0 HD1 PHE P 49 -9.194 1.542 3.454 1.00 1.25 H new ATOM 0 HD2 PHE P 49 -10.817 -2.312 2.420 1.00 1.31 H new ATOM 0 HE1 PHE P 49 -11.435 2.262 4.249 1.00 1.40 H new ATOM 0 HE2 PHE P 49 -13.039 -1.604 3.273 1.00 1.62 H new ATOM 0 HZ PHE P 49 -13.359 0.706 4.122 1.00 1.40 H new ATOM 1814 N GLN P 50 -5.784 -1.614 1.334 1.00 0.52 N ATOM 1815 CA GLN P 50 -4.804 -2.402 0.607 1.00 0.66 C ATOM 1816 C GLN P 50 -3.757 -2.923 1.590 1.00 0.66 C ATOM 1817 O GLN P 50 -3.632 -4.124 1.797 1.00 0.72 O ATOM 1818 CB GLN P 50 -4.200 -1.471 -0.453 1.00 0.84 C ATOM 1819 CG GLN P 50 -2.928 -1.937 -1.157 1.00 1.05 C ATOM 1820 CD GLN P 50 -2.300 -0.754 -1.872 1.00 2.58 C ATOM 1821 OE1 GLN P 50 -1.194 -0.357 -1.527 1.00 3.64 O ATOM 1822 NE2 GLN P 50 -3.006 -0.169 -2.829 1.00 3.75 N ATOM 0 H GLN P 50 -5.968 -0.715 0.889 1.00 0.52 H new ATOM 0 HA GLN P 50 -5.240 -3.273 0.118 1.00 0.66 H new ATOM 0 HB2 GLN P 50 -4.959 -1.291 -1.214 1.00 0.84 H new ATOM 0 HB3 GLN P 50 -3.990 -0.512 0.021 1.00 0.84 H new ATOM 0 HG2 GLN P 50 -2.228 -2.355 -0.433 1.00 1.05 H new ATOM 0 HG3 GLN P 50 -3.160 -2.728 -1.870 1.00 1.05 H new ATOM 0 HE21 GLN P 50 -3.923 -0.536 -3.083 1.00 3.75 H new ATOM 0 HE22 GLN P 50 -2.632 0.648 -3.312 1.00 3.75 H new ATOM 1831 N ASN P 51 -3.043 -2.000 2.226 1.00 0.74 N ATOM 1832 CA ASN P 51 -1.975 -2.251 3.190 1.00 0.95 C ATOM 1833 C ASN P 51 -2.404 -3.312 4.196 1.00 0.92 C ATOM 1834 O ASN P 51 -1.714 -4.313 4.375 1.00 1.21 O ATOM 1835 CB ASN P 51 -1.611 -0.930 3.885 1.00 1.19 C ATOM 1836 CG ASN P 51 -0.958 -1.113 5.247 1.00 2.07 C ATOM 1837 OD1 ASN P 51 -1.651 -1.071 6.262 1.00 3.44 O ATOM 1838 ND2 ASN P 51 0.358 -1.256 5.292 1.00 2.41 N ATOM 0 H ASN P 51 -3.201 -1.004 2.076 1.00 0.74 H new ATOM 0 HA ASN P 51 -1.093 -2.632 2.676 1.00 0.95 H new ATOM 0 HB2 ASN P 51 -0.936 -0.366 3.242 1.00 1.19 H new ATOM 0 HB3 ASN P 51 -2.514 -0.331 4.003 1.00 1.19 H new ATOM 0 HD21 ASN P 51 0.832 -1.336 6.192 1.00 2.41 H new ATOM 0 HD22 ASN P 51 0.898 -1.286 4.427 1.00 2.41 H new ATOM 1845 N ARG P 52 -3.560 -3.112 4.826 1.00 0.74 N ATOM 1846 CA ARG P 52 -4.088 -4.064 5.791 1.00 0.81 C ATOM 1847 C ARG P 52 -4.130 -5.482 5.218 1.00 0.82 C ATOM 1848 O ARG P 52 -3.685 -6.406 5.886 1.00 1.02 O ATOM 1849 CB ARG P 52 -5.458 -3.607 6.308 1.00 0.85 C ATOM 1850 CG ARG P 52 -5.375 -2.887 7.659 1.00 1.23 C ATOM 1851 CD ARG P 52 -4.345 -1.750 7.654 1.00 2.20 C ATOM 1852 NE ARG P 52 -4.543 -0.826 8.774 1.00 2.00 N ATOM 1853 CZ ARG P 52 -3.876 0.329 8.917 1.00 2.74 C ATOM 1854 NH1 ARG P 52 -2.972 0.693 8.005 1.00 3.81 N ATOM 1855 NH2 ARG P 52 -4.116 1.107 9.966 1.00 3.15 N ATOM 0 H ARG P 52 -4.150 -2.292 4.681 1.00 0.74 H new ATOM 0 HA ARG P 52 -3.410 -4.095 6.644 1.00 0.81 H new ATOM 0 HB2 ARG P 52 -5.914 -2.942 5.575 1.00 0.85 H new ATOM 0 HB3 ARG P 52 -6.112 -4.473 6.403 1.00 0.85 H new ATOM 0 HG2 ARG P 52 -6.355 -2.484 7.914 1.00 1.23 H new ATOM 0 HG3 ARG P 52 -5.114 -3.606 8.435 1.00 1.23 H new ATOM 0 HD2 ARG P 52 -3.341 -2.170 7.704 1.00 2.20 H new ATOM 0 HD3 ARG P 52 -4.415 -1.202 6.715 1.00 2.20 H new ATOM 0 HE ARG P 52 -5.228 -1.076 9.487 1.00 2.00 H new ATOM 0 HH11 ARG P 52 -2.789 0.093 7.201 1.00 3.81 H new ATOM 0 HH12 ARG P 52 -2.464 1.571 8.112 1.00 3.81 H new ATOM 0 HH21 ARG P 52 -4.807 0.826 10.662 1.00 3.15 H new ATOM 0 HH22 ARG P 52 -3.609 1.985 10.076 1.00 3.15 H new ATOM 1869 N ARG P 53 -4.633 -5.687 3.999 1.00 0.75 N ATOM 1870 CA ARG P 53 -4.776 -7.029 3.423 1.00 0.89 C ATOM 1871 C ARG P 53 -3.490 -7.858 3.504 1.00 0.98 C ATOM 1872 O ARG P 53 -3.532 -9.056 3.780 1.00 1.17 O ATOM 1873 CB ARG P 53 -5.183 -6.951 1.954 1.00 1.14 C ATOM 1874 CG ARG P 53 -6.578 -6.372 1.729 1.00 1.37 C ATOM 1875 CD ARG P 53 -6.747 -6.121 0.226 1.00 1.87 C ATOM 1876 NE ARG P 53 -8.138 -6.266 -0.207 1.00 1.81 N ATOM 1877 CZ ARG P 53 -9.130 -5.380 -0.067 1.00 3.13 C ATOM 1878 NH1 ARG P 53 -8.877 -4.206 0.509 1.00 4.49 N ATOM 1879 NH2 ARG P 53 -10.349 -5.657 -0.519 1.00 4.02 N ATOM 0 H ARG P 53 -4.951 -4.936 3.387 1.00 0.75 H new ATOM 0 HA ARG P 53 -5.547 -7.518 4.018 1.00 0.89 H new ATOM 0 HB2 ARG P 53 -4.456 -6.341 1.418 1.00 1.14 H new ATOM 0 HB3 ARG P 53 -5.141 -7.951 1.522 1.00 1.14 H new ATOM 0 HG2 ARG P 53 -7.340 -7.063 2.089 1.00 1.37 H new ATOM 0 HG3 ARG P 53 -6.700 -5.444 2.287 1.00 1.37 H new ATOM 0 HD2 ARG P 53 -6.396 -5.117 -0.014 1.00 1.87 H new ATOM 0 HD3 ARG P 53 -6.121 -6.819 -0.330 1.00 1.87 H new ATOM 0 HE ARG P 53 -8.378 -7.143 -0.668 1.00 1.81 H new ATOM 0 HH11 ARG P 53 -7.935 -3.991 0.837 1.00 4.49 H new ATOM 0 HH12 ARG P 53 -9.625 -3.522 0.622 1.00 4.49 H new ATOM 0 HH21 ARG P 53 -10.533 -6.550 -0.976 1.00 4.02 H new ATOM 0 HH22 ARG P 53 -11.101 -4.976 -0.409 1.00 4.02 H new ATOM 1893 N MET P 54 -2.349 -7.246 3.189 1.00 0.97 N ATOM 1894 CA MET P 54 -1.067 -7.941 3.163 1.00 1.16 C ATOM 1895 C MET P 54 -0.804 -8.496 4.560 1.00 1.25 C ATOM 1896 O MET P 54 -0.559 -9.684 4.760 1.00 1.52 O ATOM 1897 CB MET P 54 0.056 -6.967 2.765 1.00 1.27 C ATOM 1898 CG MET P 54 0.128 -6.639 1.265 1.00 1.38 C ATOM 1899 SD MET P 54 -1.301 -5.797 0.538 1.00 2.14 S ATOM 1900 CE MET P 54 -2.199 -7.197 -0.146 1.00 1.46 C ATOM 0 H MET P 54 -2.289 -6.257 2.946 1.00 0.97 H new ATOM 0 HA MET P 54 -1.092 -8.749 2.432 1.00 1.16 H new ATOM 0 HB2 MET P 54 -0.076 -6.038 3.319 1.00 1.27 H new ATOM 0 HB3 MET P 54 1.011 -7.391 3.076 1.00 1.27 H new ATOM 0 HG2 MET P 54 1.009 -6.019 1.096 1.00 1.38 H new ATOM 0 HG3 MET P 54 0.285 -7.571 0.722 1.00 1.38 H new ATOM 0 HE1 MET P 54 -3.187 -6.872 -0.472 1.00 1.46 H new ATOM 0 HE2 MET P 54 -1.651 -7.600 -0.997 1.00 1.46 H new ATOM 0 HE3 MET P 54 -2.304 -7.969 0.616 1.00 1.46 H new ATOM 1910 N LYS P 55 -0.853 -7.606 5.543 1.00 1.16 N ATOM 1911 CA LYS P 55 -0.437 -7.900 6.904 1.00 1.36 C ATOM 1912 C LYS P 55 -1.448 -8.871 7.530 1.00 1.39 C ATOM 1913 O LYS P 55 -1.097 -9.944 8.028 1.00 1.66 O ATOM 1914 CB LYS P 55 -0.287 -6.571 7.661 1.00 1.47 C ATOM 1915 CG LYS P 55 0.494 -5.503 6.863 1.00 2.43 C ATOM 1916 CD LYS P 55 1.864 -5.973 6.350 1.00 3.59 C ATOM 1917 CE LYS P 55 2.621 -4.790 5.717 1.00 4.85 C ATOM 1918 NZ LYS P 55 4.066 -5.049 5.556 1.00 5.81 N ATOM 0 H LYS P 55 -1.186 -6.651 5.414 1.00 1.16 H new ATOM 0 HA LYS P 55 0.532 -8.397 6.945 1.00 1.36 H new ATOM 0 HB2 LYS P 55 -1.277 -6.184 7.902 1.00 1.47 H new ATOM 0 HB3 LYS P 55 0.223 -6.754 8.607 1.00 1.47 H new ATOM 0 HG2 LYS P 55 -0.111 -5.188 6.013 1.00 2.43 H new ATOM 0 HG3 LYS P 55 0.637 -4.627 7.495 1.00 2.43 H new ATOM 0 HD2 LYS P 55 2.446 -6.391 7.172 1.00 3.59 H new ATOM 0 HD3 LYS P 55 1.734 -6.768 5.615 1.00 3.59 H new ATOM 0 HE2 LYS P 55 2.187 -4.568 4.742 1.00 4.85 H new ATOM 0 HE3 LYS P 55 2.483 -3.904 6.337 1.00 4.85 H new ATOM 0 HZ1 LYS P 55 4.522 -4.219 5.126 1.00 5.81 H new ATOM 0 HZ2 LYS P 55 4.491 -5.234 6.487 1.00 5.81 H new ATOM 0 HZ3 LYS P 55 4.204 -5.877 4.942 1.00 5.81 H new ATOM 1932 N TRP P 56 -2.734 -8.537 7.392 1.00 1.31 N ATOM 1933 CA TRP P 56 -3.891 -9.341 7.758 1.00 1.45 C ATOM 1934 C TRP P 56 -3.722 -10.818 7.393 1.00 1.68 C ATOM 1935 O TRP P 56 -4.145 -11.692 8.150 1.00 2.63 O ATOM 1936 CB TRP P 56 -5.133 -8.722 7.106 1.00 1.32 C ATOM 1937 CG TRP P 56 -6.385 -9.527 7.186 1.00 1.52 C ATOM 1938 CD1 TRP P 56 -7.374 -9.389 8.094 1.00 1.69 C ATOM 1939 CD2 TRP P 56 -6.789 -10.618 6.314 1.00 1.75 C ATOM 1940 NE1 TRP P 56 -8.359 -10.315 7.829 1.00 1.93 N ATOM 1941 CE2 TRP P 56 -8.049 -11.112 6.752 1.00 2.00 C ATOM 1942 CE3 TRP P 56 -6.239 -11.196 5.156 1.00 1.93 C ATOM 1943 CZ2 TRP P 56 -8.733 -12.127 6.075 1.00 2.35 C ATOM 1944 CZ3 TRP P 56 -6.897 -12.239 4.482 1.00 2.33 C ATOM 1945 CH2 TRP P 56 -8.142 -12.709 4.941 1.00 2.52 C ATOM 0 H TRP P 56 -3.007 -7.638 6.995 1.00 1.31 H new ATOM 0 HA TRP P 56 -4.004 -9.331 8.842 1.00 1.45 H new ATOM 0 HB2 TRP P 56 -5.318 -7.753 7.570 1.00 1.32 H new ATOM 0 HB3 TRP P 56 -4.912 -8.535 6.055 1.00 1.32 H new ATOM 0 HD1 TRP P 56 -7.391 -8.669 8.899 1.00 1.69 H new ATOM 0 HE1 TRP P 56 -9.220 -10.400 8.370 1.00 1.93 H new ATOM 0 HE3 TRP P 56 -5.295 -10.832 4.778 1.00 1.93 H new ATOM 0 HZ2 TRP P 56 -9.702 -12.459 6.419 1.00 2.35 H new ATOM 0 HZ3 TRP P 56 -6.445 -12.682 3.607 1.00 2.33 H new ATOM 0 HH2 TRP P 56 -8.641 -13.514 4.423 1.00 2.52 H new