USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 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: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-2!) USER MOD Set 2.1: A 16 THR OG1 : rot -170:sc= 0.0861 USER MOD Set 2.2: A 29 ASN : amide:sc= -5.05! C(o=-5!,f=-5.8!) USER MOD Set 3.1: A 7 CYS SG : rot 157:sc= -0.0838! USER MOD Set 3.2: A 10 CYS SG : rot -54:sc= -1.86! USER MOD Set 3.3: A 28 CYS SG : rot -124:sc= 0.888 USER MOD Set 3.4: A 31 CYS SG : rot 147:sc= 0.149 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00519 USER MOD Single : A 8 SER OG : rot 84:sc= 0.0897 USER MOD Single : A 9 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.14) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -140:sc= -0.375 USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.707 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -0.409 (180deg=-1.35!) USER MOD Single : A 39 GLN : amide:sc=-0.00539 K(o=-0.0054,f=-1) USER MOD Single : A 41 ASN : amide:sc= -0.978! C(o=-0.98!,f=-8.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 46 MET CE :methyl -152:sc= -0.166 (180deg=-1.05) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 55 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.052) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.408 10.174 14.670 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.119 9.613 15.854 1.00 0.00 C ATOM 1070 C ALA A 3 -8.623 9.505 15.579 1.00 0.00 C ATOM 1071 O ALA A 3 -9.325 10.493 15.498 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.881 10.520 17.063 1.00 0.00 C ATOM 0 HA ALA A 3 -6.732 8.615 16.058 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.400 10.113 17.931 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.813 10.575 17.272 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.261 11.519 16.849 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.122 8.297 15.458 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.584 8.097 15.218 1.00 0.00 C ATOM 1080 C GLY A 4 -10.899 8.119 13.720 1.00 0.00 C ATOM 1081 O GLY A 4 -12.019 7.884 13.315 1.00 0.00 O ATOM 0 H GLY A 4 -8.575 7.438 15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.900 7.146 15.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.150 8.879 15.724 1.00 0.00 H new ATOM 1085 N THR A 5 -9.939 8.425 12.896 1.00 0.00 N ATOM 1086 CA THR A 5 -10.225 8.486 11.437 1.00 0.00 C ATOM 1087 C THR A 5 -10.521 7.099 10.886 1.00 0.00 C ATOM 1088 O THR A 5 -9.649 6.260 10.779 1.00 0.00 O ATOM 1089 CB THR A 5 -9.023 9.065 10.696 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.495 10.135 11.455 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.453 9.576 9.310 1.00 0.00 C ATOM 0 H THR A 5 -8.978 8.634 13.165 1.00 0.00 H new ATOM 0 HA THR A 5 -11.097 9.123 11.289 1.00 0.00 H new ATOM 0 HB THR A 5 -8.267 8.291 10.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.720 10.515 10.990 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.588 9.987 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.867 8.751 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.209 10.352 9.427 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.742 6.882 10.482 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.129 5.587 9.861 1.00 0.00 C ATOM 1101 C VAL A 6 -12.651 5.929 8.477 1.00 0.00 C ATOM 1102 O VAL A 6 -13.314 6.929 8.289 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.214 4.888 10.681 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.596 4.331 11.964 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.323 5.881 11.036 1.00 0.00 C ATOM 0 H VAL A 6 -12.500 7.560 10.558 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.281 4.904 9.816 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.641 4.074 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.366 3.832 12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.813 3.617 11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.168 5.147 12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.092 5.375 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.904 6.700 11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.764 6.276 10.121 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.351 5.141 7.502 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.822 5.457 6.135 1.00 0.00 C ATOM 1117 C CYS A 7 -14.338 5.490 6.102 1.00 0.00 C ATOM 1118 O CYS A 7 -15.006 4.511 6.369 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.284 4.387 5.205 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.674 4.795 3.495 1.00 0.00 S ATOM 0 H CYS A 7 -11.799 4.288 7.588 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.465 6.438 5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.205 4.297 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.716 3.420 5.463 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.831 4.201 2.704 1.00 0.00 H new ATOM 1125 N SER A 8 -14.889 6.623 5.782 1.00 0.00 N ATOM 1126 CA SER A 8 -16.362 6.737 5.743 1.00 0.00 C ATOM 1127 C SER A 8 -16.912 5.749 4.722 1.00 0.00 C ATOM 1128 O SER A 8 -17.942 5.141 4.934 1.00 0.00 O ATOM 1129 CB SER A 8 -16.760 8.159 5.333 1.00 0.00 C ATOM 1130 OG SER A 8 -16.416 9.065 6.373 1.00 0.00 O ATOM 0 H SER A 8 -14.379 7.474 5.546 1.00 0.00 H new ATOM 0 HA SER A 8 -16.769 6.518 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.252 8.438 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.831 8.206 5.135 1.00 0.00 H new ATOM 0 HG SER A 8 -15.473 9.317 6.289 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.259 5.595 3.599 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.800 4.657 2.579 1.00 0.00 C ATOM 1138 C ASN A 9 -16.562 3.186 2.953 1.00 0.00 C ATOM 1139 O ASN A 9 -17.430 2.372 2.719 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.135 4.942 1.232 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.632 6.279 0.681 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -16.152 6.744 -0.334 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.578 6.926 1.307 1.00 0.00 N ATOM 0 H ASN A 9 -15.391 6.069 3.350 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.877 4.816 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.052 4.967 1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.361 4.141 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.912 7.819 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.983 6.539 2.159 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.413 2.809 3.510 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.195 1.345 3.837 1.00 0.00 C ATOM 1152 C CYS A 10 -14.756 1.113 5.294 1.00 0.00 C ATOM 1153 O CYS A 10 -14.393 0.016 5.654 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.186 0.716 2.850 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.472 1.118 3.292 1.00 0.00 S ATOM 0 H CYS A 10 -14.641 3.433 3.745 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.159 0.850 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.314 -0.366 2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.394 1.072 1.841 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.340 2.408 3.389 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.834 2.098 6.151 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.478 1.892 7.599 1.00 0.00 C ATOM 1162 C GLN A 11 -13.052 1.359 7.816 1.00 0.00 C ATOM 1163 O GLN A 11 -12.646 1.165 8.944 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.459 0.900 8.237 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.881 1.459 8.193 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.836 0.447 8.831 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.615 -0.746 8.752 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.894 0.871 9.466 1.00 0.00 N ATOM 0 H GLN A 11 -15.130 3.045 5.914 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.537 2.876 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.419 -0.053 7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.169 0.704 9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.929 2.409 8.726 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.176 1.657 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.081 1.871 9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.534 0.202 9.895 1.00 0.00 H new ATOM 1177 N THR A 12 -12.277 1.116 6.798 1.00 0.00 N ATOM 1178 CA THR A 12 -10.900 0.601 7.068 1.00 0.00 C ATOM 1179 C THR A 12 -10.119 1.678 7.842 1.00 0.00 C ATOM 1180 O THR A 12 -10.458 2.843 7.777 1.00 0.00 O ATOM 1181 CB THR A 12 -10.194 0.273 5.744 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.007 -0.462 6.017 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.841 1.564 5.011 1.00 0.00 C ATOM 0 H THR A 12 -12.523 1.245 5.817 1.00 0.00 H new ATOM 0 HA THR A 12 -10.950 -0.312 7.661 1.00 0.00 H new ATOM 0 HB THR A 12 -10.858 -0.321 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.553 -0.675 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.341 1.325 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.752 2.125 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.178 2.166 5.633 1.00 0.00 H new ATOM 1191 N SER A 13 -9.083 1.310 8.574 1.00 0.00 N ATOM 1192 CA SER A 13 -8.296 2.343 9.348 1.00 0.00 C ATOM 1193 C SER A 13 -6.788 2.210 9.051 1.00 0.00 C ATOM 1194 O SER A 13 -5.975 2.869 9.668 1.00 0.00 O ATOM 1195 CB SER A 13 -8.529 2.144 10.844 1.00 0.00 C ATOM 1196 OG SER A 13 -7.850 0.968 11.265 1.00 0.00 O ATOM 0 H SER A 13 -8.750 0.351 8.670 1.00 0.00 H new ATOM 0 HA SER A 13 -8.631 3.335 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.166 3.008 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.596 2.057 11.051 1.00 0.00 H new ATOM 0 HG SER A 13 -7.993 0.834 12.225 1.00 0.00 H new ATOM 1202 N THR A 14 -6.406 1.366 8.117 1.00 0.00 N ATOM 1203 CA THR A 14 -4.948 1.196 7.782 1.00 0.00 C ATOM 1204 C THR A 14 -4.668 1.835 6.425 1.00 0.00 C ATOM 1205 O THR A 14 -4.125 1.229 5.539 1.00 0.00 O ATOM 1206 CB THR A 14 -4.601 -0.292 7.707 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.041 -0.822 6.465 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.285 -1.034 8.850 1.00 0.00 C ATOM 0 H THR A 14 -7.042 0.785 7.570 1.00 0.00 H new ATOM 0 HA THR A 14 -4.345 1.672 8.555 1.00 0.00 H new ATOM 0 HB THR A 14 -3.521 -0.416 7.790 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.414 -1.718 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.037 -2.094 8.796 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.943 -0.630 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.365 -0.909 8.770 1.00 0.00 H new ATOM 1216 N THR A 15 -5.108 3.030 6.243 1.00 0.00 N ATOM 1217 CA THR A 15 -4.942 3.713 4.922 1.00 0.00 C ATOM 1218 C THR A 15 -3.503 4.167 4.694 1.00 0.00 C ATOM 1219 O THR A 15 -2.820 4.580 5.611 1.00 0.00 O ATOM 1220 CB THR A 15 -5.824 4.954 4.922 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.139 6.014 5.580 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.095 4.642 5.689 1.00 0.00 C ATOM 0 H THR A 15 -5.585 3.584 6.955 1.00 0.00 H new ATOM 0 HA THR A 15 -5.213 3.009 4.135 1.00 0.00 H new ATOM 0 HB THR A 15 -6.059 5.246 3.899 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.763 6.495 6.162 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.739 5.521 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.617 3.815 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.843 4.365 6.713 1.00 0.00 H new ATOM 1230 N THR A 16 -3.046 4.141 3.466 1.00 0.00 N ATOM 1231 CA THR A 16 -1.668 4.629 3.197 1.00 0.00 C ATOM 1232 C THR A 16 -1.698 6.153 3.320 1.00 0.00 C ATOM 1233 O THR A 16 -0.820 6.765 3.894 1.00 0.00 O ATOM 1234 CB THR A 16 -1.220 4.270 1.777 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.982 5.025 0.845 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.404 2.774 1.489 1.00 0.00 C ATOM 0 H THR A 16 -3.563 3.807 2.652 1.00 0.00 H new ATOM 0 HA THR A 16 -0.975 4.170 3.902 1.00 0.00 H new ATOM 0 HB THR A 16 -0.159 4.504 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.816 4.690 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.076 2.556 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.811 2.192 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.456 2.510 1.595 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.735 6.762 2.790 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.881 8.250 2.874 1.00 0.00 C ATOM 1246 C LEU A 17 -4.365 8.567 3.078 1.00 0.00 C ATOM 1247 O LEU A 17 -5.218 8.051 2.380 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.361 8.928 1.586 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.827 10.341 1.899 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.578 10.259 2.816 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.485 11.069 0.574 1.00 0.00 C ATOM 0 H LEU A 17 -3.492 6.286 2.299 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.291 8.633 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.570 8.323 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.163 8.990 0.851 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.596 10.906 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.215 11.265 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.845 9.766 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.204 9.688 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.108 12.068 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.724 10.505 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.382 11.148 -0.040 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.686 9.402 4.026 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.112 9.745 4.276 1.00 0.00 C ATOM 1265 C TRP A 18 -6.585 10.785 3.255 1.00 0.00 C ATOM 1266 O TRP A 18 -5.980 11.827 3.097 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.218 10.339 5.691 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.258 9.240 6.711 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.289 8.980 7.620 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.304 8.252 6.937 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.681 7.901 8.393 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.914 7.419 8.011 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.542 8.001 6.323 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.722 6.376 8.462 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.355 6.947 6.773 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.946 6.138 7.838 1.00 0.00 C ATOM 0 H TRP A 18 -4.017 9.864 4.642 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.733 8.854 4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.368 10.993 5.884 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.116 10.952 5.770 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.362 9.525 7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.125 7.510 9.153 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.870 8.621 5.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.402 5.758 9.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.304 6.760 6.292 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.577 5.330 8.177 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.672 10.517 2.570 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.203 11.493 1.563 1.00 0.00 C ATOM 1289 C ARG A 19 -9.483 12.125 2.112 1.00 0.00 C ATOM 1290 O ARG A 19 -9.969 11.756 3.163 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.544 10.772 0.247 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.456 9.774 -0.101 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.130 10.498 -0.264 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.183 9.581 -0.955 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.031 10.010 -1.377 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.683 11.255 -1.203 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.224 9.186 -1.976 1.00 0.00 N ATOM 0 H ARG A 19 -8.217 9.660 2.665 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.445 12.253 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.501 10.259 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.651 11.500 -0.558 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.376 9.021 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.711 9.250 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.264 11.412 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.735 10.791 0.709 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.441 8.605 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.317 11.901 -0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.777 11.583 -1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.497 8.213 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.318 9.513 -2.311 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.050 13.045 1.382 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.332 13.688 1.805 1.00 0.00 C ATOM 1313 C ARG A 20 -12.276 13.647 0.598 1.00 0.00 C ATOM 1314 O ARG A 20 -11.863 13.864 -0.523 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.069 15.139 2.233 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.119 15.186 3.444 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.829 14.697 4.710 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.978 14.999 5.895 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.495 14.975 7.091 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.746 14.637 7.256 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.758 15.279 8.125 1.00 0.00 N ATOM 0 H ARG A 20 -9.676 13.385 0.496 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.774 13.165 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.635 15.695 1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.011 15.626 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.244 14.566 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.761 16.205 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.799 15.185 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.017 13.625 4.645 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.991 15.224 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.319 14.392 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.150 14.618 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.779 15.535 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.161 15.261 9.062 1.00 0.00 H new ATOM 1335 N SER A 21 -13.540 13.369 0.808 1.00 0.00 N ATOM 1336 CA SER A 21 -14.502 13.314 -0.344 1.00 0.00 C ATOM 1337 C SER A 21 -15.165 14.693 -0.525 1.00 0.00 C ATOM 1338 O SER A 21 -15.221 15.474 0.398 1.00 0.00 O ATOM 1339 CB SER A 21 -15.549 12.221 -0.075 1.00 0.00 C ATOM 1340 OG SER A 21 -15.111 11.005 -0.669 1.00 0.00 O ATOM 0 H SER A 21 -13.949 13.178 1.723 1.00 0.00 H new ATOM 0 HA SER A 21 -13.976 13.067 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.687 12.088 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.515 12.515 -0.487 1.00 0.00 H new ATOM 0 HG SER A 21 -15.772 10.302 -0.501 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.651 15.001 -1.711 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.300 16.322 -1.963 1.00 0.00 C ATOM 1348 C PRO A 22 -17.385 16.655 -0.925 1.00 0.00 C ATOM 1349 O PRO A 22 -17.829 17.780 -0.819 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.914 16.130 -3.371 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.596 14.699 -3.851 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.587 14.076 -2.878 1.00 0.00 C ATOM 0 HA PRO A 22 -15.599 17.154 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.992 16.288 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.504 16.863 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.506 14.100 -3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.186 14.720 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.863 13.058 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.585 14.031 -3.306 1.00 0.00 H new ATOM 1360 N MET A 23 -17.816 15.681 -0.162 1.00 0.00 N ATOM 1361 CA MET A 23 -18.877 15.939 0.863 1.00 0.00 C ATOM 1362 C MET A 23 -18.231 16.222 2.225 1.00 0.00 C ATOM 1363 O MET A 23 -18.886 16.654 3.151 1.00 0.00 O ATOM 1364 CB MET A 23 -19.783 14.708 0.981 1.00 0.00 C ATOM 1365 CG MET A 23 -20.558 14.495 -0.325 1.00 0.00 C ATOM 1366 SD MET A 23 -19.489 13.690 -1.544 1.00 0.00 S ATOM 1367 CE MET A 23 -20.410 14.197 -3.018 1.00 0.00 C ATOM 0 H MET A 23 -17.480 14.719 -0.204 1.00 0.00 H new ATOM 0 HA MET A 23 -19.466 16.803 0.556 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.183 13.826 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.480 14.838 1.809 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.440 13.882 -0.140 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.910 15.452 -0.711 1.00 0.00 H new ATOM 0 HE1 MET A 23 -19.919 13.803 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.427 13.809 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.440 15.285 -3.072 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.955 15.976 2.356 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.269 16.221 3.661 1.00 0.00 C ATOM 1379 C GLY A 24 -16.310 14.942 4.501 1.00 0.00 C ATOM 1380 O GLY A 24 -16.359 14.983 5.714 1.00 0.00 O ATOM 0 H GLY A 24 -16.355 15.615 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.236 16.525 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.758 17.036 4.195 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.298 13.804 3.855 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.341 12.496 4.575 1.00 0.00 C ATOM 1386 C ASP A 25 -14.958 11.808 4.469 1.00 0.00 C ATOM 1387 O ASP A 25 -14.555 11.441 3.384 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.371 11.605 3.869 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.727 12.313 3.827 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.777 13.481 4.175 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.694 11.673 3.445 1.00 0.00 O ATOM 0 H ASP A 25 -16.259 13.725 2.839 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.601 12.651 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.037 11.379 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.463 10.654 4.394 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.222 11.619 5.556 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.883 10.953 5.466 1.00 0.00 C ATOM 1398 C PRO A 26 -12.925 9.625 4.693 1.00 0.00 C ATOM 1399 O PRO A 26 -13.839 8.837 4.839 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.535 10.723 6.948 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.423 11.657 7.780 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.642 12.041 6.926 1.00 0.00 C ATOM 0 HA PRO A 26 -12.153 11.550 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.707 9.683 7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.481 10.932 7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.741 11.162 8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.868 12.548 8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.545 11.524 7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.852 13.110 6.975 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.921 9.366 3.897 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.871 8.077 3.132 1.00 0.00 C ATOM 1412 C VAL A 27 -10.427 7.578 3.043 1.00 0.00 C ATOM 1413 O VAL A 27 -9.489 8.337 3.187 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.456 8.255 1.718 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.991 8.188 1.793 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.999 9.614 1.116 1.00 0.00 C ATOM 0 H VAL A 27 -11.130 9.991 3.741 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.474 7.339 3.662 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.094 7.456 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.410 8.314 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.294 7.221 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.359 8.982 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.419 9.729 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.347 10.429 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.911 9.639 1.058 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.235 6.303 2.787 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.853 5.762 2.671 1.00 0.00 C ATOM 1428 C CYS A 28 -8.328 5.992 1.245 1.00 0.00 C ATOM 1429 O CYS A 28 -9.082 6.172 0.311 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.832 4.263 3.044 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.655 3.244 1.788 1.00 0.00 S ATOM 0 H CYS A 28 -10.980 5.619 2.654 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.197 6.285 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.800 3.932 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.324 4.121 4.006 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.597 2.544 2.346 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.032 6.017 1.092 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.406 6.269 -0.246 1.00 0.00 C ATOM 1438 C ASN A 29 -7.081 5.453 -1.353 1.00 0.00 C ATOM 1439 O ASN A 29 -7.270 5.932 -2.456 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.937 5.847 -0.160 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.195 6.243 -1.437 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.763 6.245 -2.511 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.937 6.578 -1.362 1.00 0.00 N ATOM 0 H ASN A 29 -6.365 5.871 1.850 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.516 7.325 -0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.466 6.318 0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.869 4.769 -0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.428 6.842 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.462 6.576 -0.460 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.419 4.229 -1.093 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.044 3.399 -2.160 1.00 0.00 C ATOM 1452 C ALA A 30 -9.465 3.892 -2.499 1.00 0.00 C ATOM 1453 O ALA A 30 -9.797 4.086 -3.651 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.087 1.952 -1.692 1.00 0.00 C ATOM 0 H ALA A 30 -7.292 3.764 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.446 3.483 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.543 1.333 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.073 1.602 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.676 1.883 -0.777 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.317 4.067 -1.518 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.718 4.514 -1.822 1.00 0.00 C ATOM 1462 C CYS A 31 -11.705 5.827 -2.602 1.00 0.00 C ATOM 1463 O CYS A 31 -12.502 6.035 -3.487 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.506 4.739 -0.526 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.987 3.156 0.196 1.00 0.00 S ATOM 0 H CYS A 31 -10.109 3.922 -0.530 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.190 3.731 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.899 5.301 0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.393 5.338 -0.731 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.994 3.254 1.492 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.828 6.723 -2.271 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.808 8.026 -2.988 1.00 0.00 C ATOM 1472 C GLY A 32 -10.587 7.798 -4.481 1.00 0.00 C ATOM 1473 O GLY A 32 -11.294 8.337 -5.310 1.00 0.00 O ATOM 0 H GLY A 32 -10.126 6.614 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.749 8.553 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.016 8.659 -2.587 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.608 7.018 -4.835 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.343 6.777 -6.279 1.00 0.00 C ATOM 1479 C LEU A 33 -10.468 5.934 -6.893 1.00 0.00 C ATOM 1480 O LEU A 33 -10.984 6.253 -7.944 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.007 6.049 -6.412 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.892 6.922 -5.809 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.640 6.073 -5.564 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.553 8.085 -6.763 1.00 0.00 C ATOM 0 H LEU A 33 -8.981 6.538 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.303 7.728 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.050 5.088 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.795 5.841 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.240 7.331 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.855 6.697 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.878 5.265 -4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.295 5.652 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.763 8.696 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.215 7.685 -7.719 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.441 8.698 -6.919 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.857 4.863 -6.256 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.944 4.012 -6.825 1.00 0.00 C ATOM 1498 C TYR A 34 -13.215 4.849 -6.963 1.00 0.00 C ATOM 1499 O TYR A 34 -13.954 4.732 -7.918 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.219 2.833 -5.886 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.154 1.853 -6.561 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.528 2.111 -6.605 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.642 0.689 -7.146 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.390 1.203 -7.237 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.506 -0.217 -7.775 1.00 0.00 C ATOM 1506 CZ TYR A 34 -14.879 0.041 -7.820 1.00 0.00 C ATOM 1507 OH TYR A 34 -15.728 -0.851 -8.443 1.00 0.00 O ATOM 0 H TYR A 34 -10.471 4.540 -5.369 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.638 3.636 -7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.284 2.338 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.661 3.191 -4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.925 3.008 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.581 0.489 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.451 1.403 -7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.111 -1.115 -8.225 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.210 -1.604 -8.796 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.480 5.677 -5.995 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.711 6.511 -6.034 1.00 0.00 C ATOM 1519 C TYR A 35 -14.698 7.408 -7.277 1.00 0.00 C ATOM 1520 O TYR A 35 -15.677 7.535 -7.957 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.768 7.386 -4.778 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.103 8.088 -4.701 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.196 7.444 -4.105 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.246 9.381 -5.214 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.432 8.093 -4.022 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.482 10.034 -5.131 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.576 9.391 -4.535 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.794 10.036 -4.451 1.00 0.00 O ATOM 0 H TYR A 35 -12.893 5.813 -5.172 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.584 5.860 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.618 6.772 -3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.962 8.120 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.084 6.445 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.403 9.876 -5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.274 7.596 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.592 11.033 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.721 10.927 -4.853 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.609 8.033 -7.584 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.590 8.924 -8.783 1.00 0.00 C ATOM 1540 C LYS A 36 -14.013 8.137 -10.035 1.00 0.00 C ATOM 1541 O LYS A 36 -14.849 8.587 -10.793 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.173 9.470 -8.942 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.093 10.448 -10.116 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.655 10.985 -10.237 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.782 10.000 -11.021 1.00 0.00 C ATOM 1546 NZ LYS A 36 -10.363 9.795 -12.377 1.00 0.00 N ATOM 0 H LYS A 36 -12.732 7.973 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.293 9.748 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.867 9.972 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.477 8.646 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.386 9.949 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.789 11.273 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.662 11.953 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.234 11.143 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.765 10.384 -11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.722 9.049 -10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.610 9.517 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.083 9.046 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.802 10.679 -12.704 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.481 6.973 -10.259 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.905 6.184 -11.459 1.00 0.00 C ATOM 1562 C LEU A 37 -15.325 5.644 -11.245 1.00 0.00 C ATOM 1563 O LEU A 37 -16.119 5.536 -12.158 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.942 5.017 -11.656 1.00 0.00 C ATOM 1565 CG LEU A 37 -11.618 5.531 -12.230 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -11.018 6.595 -11.302 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -10.640 4.363 -12.362 1.00 0.00 C ATOM 0 H LEU A 37 -12.775 6.530 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.893 6.825 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.766 4.514 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.380 4.281 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.800 5.975 -13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.077 6.953 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.714 7.429 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.836 6.160 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.696 4.723 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.466 3.921 -11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.060 3.610 -13.029 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.621 5.286 -10.029 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.954 4.718 -9.657 1.00 0.00 C ATOM 1581 C HIS A 38 -17.688 5.709 -8.765 1.00 0.00 C ATOM 1582 O HIS A 38 -18.236 5.325 -7.779 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.777 3.403 -8.912 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.279 2.348 -9.864 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -17.113 1.374 -10.392 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -15.040 2.114 -10.402 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -16.371 0.605 -11.210 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -15.099 1.012 -11.252 1.00 0.00 N ATOM 0 H HIS A 38 -14.972 5.365 -9.246 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.530 4.535 -10.564 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.071 3.530 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.724 3.092 -8.472 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.153 2.696 -10.198 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.756 -0.238 -11.765 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.335 0.604 -11.791 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.634 6.973 -9.107 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.305 8.068 -8.299 1.00 0.00 C ATOM 1598 C GLN A 39 -19.582 7.534 -7.612 1.00 0.00 C ATOM 1599 O GLN A 39 -20.675 8.013 -7.821 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.647 9.229 -9.241 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.166 10.437 -8.447 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.387 11.611 -9.403 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.642 11.791 -10.343 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.395 12.416 -9.206 1.00 0.00 N ATOM 0 H GLN A 39 -17.142 7.311 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.629 8.414 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.763 9.515 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.400 8.910 -9.961 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.098 10.183 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.450 10.713 -7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.022 12.265 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.556 13.197 -9.843 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.419 6.535 -6.791 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.543 5.919 -6.053 1.00 0.00 C ATOM 1615 C VAL A 40 -19.961 5.153 -4.863 1.00 0.00 C ATOM 1616 O VAL A 40 -18.760 5.015 -4.735 1.00 0.00 O ATOM 1617 CB VAL A 40 -21.319 4.938 -6.947 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -22.027 5.700 -8.069 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -20.392 3.857 -7.561 1.00 0.00 C ATOM 0 H VAL A 40 -18.513 6.108 -6.598 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.230 6.699 -5.726 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.053 4.434 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -22.574 4.997 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.723 6.419 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.289 6.228 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -20.981 3.185 -8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -19.625 4.338 -8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -19.918 3.288 -6.762 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.790 4.628 -4.008 1.00 0.00 N ATOM 1630 CA ASN A 41 -20.257 3.850 -2.854 1.00 0.00 C ATOM 1631 C ASN A 41 -19.903 2.435 -3.346 1.00 0.00 C ATOM 1632 O ASN A 41 -20.685 1.784 -4.008 1.00 0.00 O ATOM 1633 CB ASN A 41 -21.319 3.780 -1.756 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.617 3.218 -2.340 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.760 3.113 -3.541 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.576 2.854 -1.535 1.00 0.00 N ATOM 0 H ASN A 41 -21.806 4.702 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 41 -19.367 4.330 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.972 3.148 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.494 4.772 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.446 2.481 -1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.456 2.942 -0.526 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.704 1.980 -3.070 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.244 0.634 -3.554 1.00 0.00 C ATOM 1645 C ARG A 42 -18.395 -0.458 -2.464 1.00 0.00 C ATOM 1646 O ARG A 42 -18.377 -0.169 -1.288 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.758 0.737 -3.968 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.022 1.806 -3.134 1.00 0.00 C ATOM 1649 CD ARG A 42 -16.075 1.477 -1.629 1.00 0.00 C ATOM 1650 NE ARG A 42 -17.263 2.144 -1.020 1.00 0.00 N ATOM 1651 CZ ARG A 42 -17.662 1.817 0.177 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -16.980 0.952 0.877 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -18.739 2.363 0.675 1.00 0.00 N ATOM 0 H ARG A 42 -18.012 2.491 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.867 0.346 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.273 -0.230 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.689 0.986 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.983 1.871 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.473 2.782 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.134 0.398 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.162 1.816 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.766 2.860 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.136 0.533 0.487 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.291 0.695 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -19.266 3.044 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.053 2.109 1.611 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.528 -1.718 -2.853 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.647 -2.831 -1.860 1.00 0.00 C ATOM 1669 C PRO A 43 -17.317 -3.077 -1.124 1.00 0.00 C ATOM 1670 O PRO A 43 -16.249 -2.842 -1.655 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.998 -4.024 -2.762 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.546 -3.663 -4.179 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.570 -2.132 -4.288 1.00 0.00 C ATOM 0 HA PRO A 43 -19.375 -2.635 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.498 -4.929 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.069 -4.223 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.544 -4.047 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.208 -4.112 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.717 -1.749 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.468 -1.773 -4.790 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.382 -3.541 0.089 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.138 -3.795 0.876 1.00 0.00 C ATOM 1683 C LEU A 44 -15.370 -4.998 0.312 1.00 0.00 C ATOM 1684 O LEU A 44 -14.488 -5.530 0.955 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.538 -4.076 2.332 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.625 -2.764 3.110 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.799 -1.930 2.591 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.837 -3.070 4.592 1.00 0.00 C ATOM 0 H LEU A 44 -18.251 -3.759 0.578 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.488 -2.922 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.498 -4.591 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.807 -4.737 2.798 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.700 -2.203 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.856 -0.996 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.651 -1.712 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.727 -2.487 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.900 -2.136 5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.763 -3.632 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.000 -3.661 4.965 1.00 0.00 H new ATOM 1700 N THR A 45 -15.676 -5.423 -0.874 1.00 0.00 N ATOM 1701 CA THR A 45 -14.939 -6.580 -1.445 1.00 0.00 C ATOM 1702 C THR A 45 -13.470 -6.187 -1.686 1.00 0.00 C ATOM 1703 O THR A 45 -12.612 -7.035 -1.831 1.00 0.00 O ATOM 1704 CB THR A 45 -15.605 -6.997 -2.764 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.772 -5.854 -3.590 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.976 -7.621 -2.475 1.00 0.00 C ATOM 0 H THR A 45 -16.400 -5.024 -1.472 1.00 0.00 H new ATOM 0 HA THR A 45 -14.966 -7.419 -0.750 1.00 0.00 H new ATOM 0 HB THR A 45 -14.975 -7.727 -3.272 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.195 -6.119 -4.433 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.446 -7.916 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.850 -8.498 -1.841 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.607 -6.893 -1.966 1.00 0.00 H new ATOM 1714 N MET A 46 -13.176 -4.906 -1.737 1.00 0.00 N ATOM 1715 CA MET A 46 -11.758 -4.462 -1.984 1.00 0.00 C ATOM 1716 C MET A 46 -11.070 -4.086 -0.664 1.00 0.00 C ATOM 1717 O MET A 46 -9.908 -3.733 -0.639 1.00 0.00 O ATOM 1718 CB MET A 46 -11.763 -3.244 -2.915 1.00 0.00 C ATOM 1719 CG MET A 46 -12.387 -3.635 -4.256 1.00 0.00 C ATOM 1720 SD MET A 46 -11.267 -4.751 -5.143 1.00 0.00 S ATOM 1721 CE MET A 46 -9.966 -3.552 -5.537 1.00 0.00 C ATOM 0 H MET A 46 -13.851 -4.151 -1.619 1.00 0.00 H new ATOM 0 HA MET A 46 -11.210 -5.284 -2.444 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.327 -2.428 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.746 -2.883 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.349 -4.122 -4.093 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.578 -2.744 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.455 -3.856 -6.451 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.410 -2.567 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.249 -3.511 -4.717 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.780 -4.147 0.426 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.175 -3.783 1.744 1.00 0.00 C ATOM 1733 C ARG A 47 -10.396 -4.966 2.347 1.00 0.00 C ATOM 1734 O ARG A 47 -10.907 -6.061 2.463 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.301 -3.359 2.688 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.754 -3.088 4.087 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.860 -2.434 4.914 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.418 -2.261 6.341 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.094 -3.281 7.088 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -12.266 -4.498 6.653 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.634 -3.085 8.294 1.00 0.00 N ATOM 0 H ARG A 47 -12.758 -4.434 0.465 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.468 -2.965 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.789 -2.464 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.059 -4.141 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.429 -4.017 4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.882 -2.436 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.117 -1.465 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.760 -3.047 4.878 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.370 -1.322 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.656 -4.657 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.011 -5.291 7.242 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.528 -2.136 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.380 -3.881 8.879 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.169 -4.733 2.762 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.340 -5.815 3.399 1.00 0.00 C ATOM 1757 C LYS A 48 -7.845 -5.304 4.756 1.00 0.00 C ATOM 1758 O LYS A 48 -7.610 -4.125 4.933 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.137 -6.160 2.507 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.600 -6.918 1.245 1.00 0.00 C ATOM 1761 CD LYS A 48 -7.714 -8.430 1.535 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.335 -9.108 1.423 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.277 -10.260 2.369 1.00 0.00 N ATOM 0 H LYS A 48 -8.701 -3.830 2.686 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.942 -6.714 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.616 -5.247 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.426 -6.770 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.564 -6.531 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.893 -6.750 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.121 -8.585 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.409 -8.889 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.167 -9.451 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.545 -8.393 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.348 -10.722 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.420 -9.919 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.023 -10.944 2.129 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.715 -6.167 5.731 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.274 -5.703 7.080 1.00 0.00 C ATOM 1779 C ASP A 49 -6.062 -4.780 6.959 1.00 0.00 C ATOM 1780 O ASP A 49 -6.188 -3.573 6.912 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.898 -6.908 7.945 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.147 -7.737 8.241 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.088 -7.182 8.785 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.142 -8.914 7.920 1.00 0.00 O ATOM 0 H ASP A 49 -7.894 -7.168 5.652 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.096 -5.156 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.157 -7.520 7.431 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.443 -6.572 8.877 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.885 -5.341 6.930 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.664 -4.497 6.834 1.00 0.00 C ATOM 1791 C GLY A 50 -3.527 -3.947 5.418 1.00 0.00 C ATOM 1792 O GLY A 50 -4.403 -4.108 4.590 1.00 0.00 O ATOM 0 H GLY A 50 -4.717 -6.346 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.721 -3.676 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.783 -5.085 7.093 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.434 -3.292 5.131 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.234 -2.721 3.772 1.00 0.00 C ATOM 1798 C ILE A 51 -1.502 -3.727 2.876 1.00 0.00 C ATOM 1799 O ILE A 51 -0.529 -4.341 3.266 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.428 -1.427 3.896 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -1.984 -0.616 5.086 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.549 -0.626 2.597 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.635 0.874 4.950 1.00 0.00 C ATOM 0 H ILE A 51 -1.668 -3.128 5.785 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.200 -2.506 3.316 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.375 -1.648 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.066 -0.736 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.575 -1.005 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.975 0.297 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.162 -1.218 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.596 -0.386 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.039 1.421 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.552 0.993 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.066 1.266 4.029 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.969 -3.878 1.669 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.320 -4.820 0.712 1.00 0.00 C ATOM 1817 C GLN A 52 0.025 -4.232 0.278 1.00 0.00 C ATOM 1818 O GLN A 52 0.219 -3.037 0.312 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.230 -5.003 -0.504 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.471 -5.799 -0.094 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.500 -5.758 -1.225 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.703 -6.738 -1.916 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.163 -4.655 -1.445 1.00 0.00 N ATOM 0 H GLN A 52 -2.781 -3.384 1.299 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.156 -5.789 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.523 -4.032 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.695 -5.525 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.198 -6.831 0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.899 -5.381 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.993 -3.833 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.851 -4.615 -2.197 1.00 0.00 H new ATOM 1832 N THR A 53 0.976 -5.055 -0.092 1.00 0.00 N ATOM 1833 CA THR A 53 2.315 -4.511 -0.492 1.00 0.00 C ATOM 1834 C THR A 53 2.915 -5.304 -1.657 1.00 0.00 C ATOM 1835 O THR A 53 2.581 -6.444 -1.910 1.00 0.00 O ATOM 1836 CB THR A 53 3.268 -4.562 0.708 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.605 -4.712 0.249 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.895 -5.737 1.600 1.00 0.00 C ATOM 0 H THR A 53 0.887 -6.070 -0.135 1.00 0.00 H new ATOM 0 HA THR A 53 2.179 -3.480 -0.818 1.00 0.00 H new ATOM 0 HB THR A 53 3.187 -3.636 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.213 -4.743 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.572 -5.775 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.871 -5.615 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.975 -6.664 1.033 1.00 0.00 H new ATOM 1846 N ARG A 54 3.817 -4.670 -2.347 1.00 0.00 N ATOM 1847 CA ARG A 54 4.513 -5.297 -3.509 1.00 0.00 C ATOM 1848 C ARG A 54 5.906 -4.689 -3.639 1.00 0.00 C ATOM 1849 O ARG A 54 6.225 -3.708 -2.998 1.00 0.00 O ATOM 1850 CB ARG A 54 3.736 -5.039 -4.805 1.00 0.00 C ATOM 1851 CG ARG A 54 2.467 -5.890 -4.829 1.00 0.00 C ATOM 1852 CD ARG A 54 1.711 -5.620 -6.131 1.00 0.00 C ATOM 1853 NE ARG A 54 0.504 -6.508 -6.216 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.611 -7.810 -6.219 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.783 -8.378 -6.284 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -0.466 -8.547 -6.197 1.00 0.00 N ATOM 0 H ARG A 54 4.112 -3.714 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 54 4.578 -6.372 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.477 -3.983 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.360 -5.276 -5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.721 -6.947 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.837 -5.652 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.407 -4.574 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.365 -5.798 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.422 -6.085 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.625 -7.805 -6.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.857 -9.395 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.385 -8.106 -6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.388 -9.564 -6.199 1.00 0.00 H new ATOM 1870 N ASN A 55 6.735 -5.248 -4.470 1.00 0.00 N ATOM 1871 CA ASN A 55 8.097 -4.672 -4.632 1.00 0.00 C ATOM 1872 C ASN A 55 7.947 -3.187 -4.994 1.00 0.00 C ATOM 1873 O ASN A 55 7.114 -2.811 -5.794 1.00 0.00 O ATOM 1874 CB ASN A 55 8.849 -5.422 -5.737 1.00 0.00 C ATOM 1875 CG ASN A 55 9.188 -6.837 -5.259 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.067 -7.787 -6.006 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.614 -7.019 -4.038 1.00 0.00 N ATOM 0 H ASN A 55 6.533 -6.070 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 55 8.667 -4.771 -3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.239 -5.468 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.762 -4.887 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.845 -7.958 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.716 -6.222 -3.409 1.00 0.00 H new ATOM 1884 N ARG A 56 8.729 -2.339 -4.375 1.00 0.00 N ATOM 1885 CA ARG A 56 8.620 -0.869 -4.633 1.00 0.00 C ATOM 1886 C ARG A 56 8.858 -0.542 -6.109 1.00 0.00 C ATOM 1887 O ARG A 56 9.831 -0.956 -6.708 1.00 0.00 O ATOM 1888 CB ARG A 56 9.661 -0.124 -3.776 1.00 0.00 C ATOM 1889 CG ARG A 56 9.739 1.352 -4.206 1.00 0.00 C ATOM 1890 CD ARG A 56 10.373 2.198 -3.090 1.00 0.00 C ATOM 1891 NE ARG A 56 11.335 1.363 -2.320 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.198 1.926 -1.518 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.280 3.228 -1.445 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.993 1.182 -0.798 1.00 0.00 N ATOM 0 H ARG A 56 9.444 -2.603 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 56 7.611 -0.551 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.391 -0.190 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.638 -0.595 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.328 1.442 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.740 1.725 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.885 3.060 -3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.599 2.584 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 56 11.320 0.348 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.668 3.810 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.956 3.662 -0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.938 0.166 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.669 1.617 -0.170 1.00 0.00 H new ATOM 1908 N LYS A 57 7.971 0.224 -6.688 1.00 0.00 N ATOM 1909 CA LYS A 57 8.123 0.619 -8.113 1.00 0.00 C ATOM 1910 C LYS A 57 9.543 1.124 -8.347 1.00 0.00 C ATOM 1911 O LYS A 57 10.201 1.592 -7.440 1.00 0.00 O ATOM 1912 CB LYS A 57 7.128 1.748 -8.434 1.00 0.00 C ATOM 1913 CG LYS A 57 7.432 2.336 -9.818 1.00 0.00 C ATOM 1914 CD LYS A 57 6.287 3.247 -10.263 1.00 0.00 C ATOM 1915 CE LYS A 57 6.237 4.496 -9.382 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.439 5.549 -10.068 1.00 0.00 N ATOM 0 H LYS A 57 7.140 0.595 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 57 7.927 -0.240 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.108 1.364 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.193 2.528 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.364 2.900 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.570 1.532 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.424 3.533 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.340 2.711 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.791 4.257 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.246 4.858 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.403 6.400 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.883 5.783 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.473 5.200 -10.233 1.00 0.00 H new ATOM 1930 N VAL A 58 10.011 1.065 -9.567 1.00 0.00 N ATOM 1931 CA VAL A 58 11.376 1.581 -9.864 1.00 0.00 C ATOM 1932 C VAL A 58 11.468 2.988 -9.270 1.00 0.00 C ATOM 1933 O VAL A 58 10.492 3.504 -8.761 1.00 0.00 O ATOM 1934 CB VAL A 58 11.577 1.625 -11.385 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.586 2.604 -12.016 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.008 2.066 -11.710 1.00 0.00 C ATOM 0 H VAL A 58 9.507 0.682 -10.367 1.00 0.00 H new ATOM 0 HA VAL A 58 12.147 0.941 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 58 11.405 0.628 -11.791 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.736 2.629 -13.095 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.568 2.282 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.747 3.600 -11.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.143 2.095 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.186 3.058 -11.295 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.714 1.359 -11.275 1.00 0.00 H new