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 7 CYS SG : rot 158:sc= 0.344 USER MOD Set 1.2: A 10 CYS SG : rot -54:sc= -3.32 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.346 USER MOD Set 1.4: A 31 CYS SG : rot 85:sc= 0.952 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.0107 USER MOD Set 2.2: A 29 ASN : amide:sc= -7.38! C(o=-7.4!,f=-8.7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 85:sc= 0.147 USER MOD Single : A 9 ASN : amide:sc= -4.6! C(o=-4.6!,f=-3.6!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.016) 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 62:sc= 0.942 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.722 USER MOD Single : A 21 SER OG : rot -140:sc= -0.128 USER MOD Single : A 23 MET CE :methyl -143:sc= -2.05 (180deg=-6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0328 K(o=-0.033,f=-1.9!) USER MOD Single : A 41 ASN : amide:sc= -0.385 K(o=-0.38,f=-7!) USER MOD Single : A 45 THR OG1 : rot -44:sc= 0.0726 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.0031 (180deg=-0.292) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 55 ASN : amide:sc= -0.0222 K(o=-0.022,f=-2.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.052 10.906 14.203 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.697 10.240 15.370 1.00 0.00 C ATOM 1070 C ALA A 3 -8.220 10.156 15.193 1.00 0.00 C ATOM 1071 O ALA A 3 -8.893 11.158 15.057 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.393 11.076 16.617 1.00 0.00 C ATOM 0 HA ALA A 3 -6.307 9.226 15.461 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.854 10.611 17.488 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.314 11.132 16.764 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.794 12.081 16.488 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.771 8.969 15.232 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.254 8.818 15.110 1.00 0.00 C ATOM 1080 C GLY A 4 -10.692 8.775 13.643 1.00 0.00 C ATOM 1081 O GLY A 4 -11.837 8.502 13.343 1.00 0.00 O ATOM 0 H GLY A 4 -8.257 8.095 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.571 7.904 15.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.749 9.648 15.615 1.00 0.00 H new ATOM 1085 N THR A 5 -9.814 9.065 12.726 1.00 0.00 N ATOM 1086 CA THR A 5 -10.226 9.059 11.293 1.00 0.00 C ATOM 1087 C THR A 5 -10.575 7.643 10.843 1.00 0.00 C ATOM 1088 O THR A 5 -9.723 6.780 10.761 1.00 0.00 O ATOM 1089 CB THR A 5 -9.084 9.572 10.422 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.555 10.766 10.984 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.604 9.856 9.008 1.00 0.00 C ATOM 0 H THR A 5 -8.838 9.304 12.902 1.00 0.00 H new ATOM 0 HA THR A 5 -11.099 9.703 11.189 1.00 0.00 H new ATOM 0 HB THR A 5 -8.299 8.817 10.374 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.820 11.093 10.424 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.787 10.223 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.005 8.939 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.391 10.609 9.054 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.819 7.415 10.496 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.244 6.078 9.982 1.00 0.00 C ATOM 1101 C VAL A 6 -12.797 6.312 8.584 1.00 0.00 C ATOM 1102 O VAL A 6 -13.448 7.306 8.328 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.313 5.456 10.888 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.662 5.015 12.200 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.415 6.476 11.184 1.00 0.00 C ATOM 0 H VAL A 6 -12.566 8.108 10.548 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.405 5.383 9.965 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.755 4.597 10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.417 4.572 12.850 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.885 4.279 11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.220 5.879 12.695 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.168 6.022 11.828 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.984 7.343 11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.880 6.791 10.250 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.529 5.439 7.666 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.020 5.650 6.284 1.00 0.00 C ATOM 1117 C CYS A 7 -14.535 5.684 6.248 1.00 0.00 C ATOM 1118 O CYS A 7 -15.210 4.723 6.558 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.495 4.523 5.419 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.963 4.786 3.693 1.00 0.00 S ATOM 0 H CYS A 7 -11.990 4.585 7.812 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.663 6.609 5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.410 4.466 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.893 3.571 5.770 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.157 4.122 2.919 1.00 0.00 H new ATOM 1125 N SER A 8 -15.064 6.800 5.860 1.00 0.00 N ATOM 1126 CA SER A 8 -16.530 6.945 5.779 1.00 0.00 C ATOM 1127 C SER A 8 -17.098 5.924 4.793 1.00 0.00 C ATOM 1128 O SER A 8 -18.153 5.362 5.014 1.00 0.00 O ATOM 1129 CB SER A 8 -16.858 8.357 5.298 1.00 0.00 C ATOM 1130 OG SER A 8 -16.527 9.286 6.322 1.00 0.00 O ATOM 0 H SER A 8 -14.534 7.629 5.592 1.00 0.00 H new ATOM 0 HA SER A 8 -16.972 6.773 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.300 8.584 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.916 8.433 5.049 1.00 0.00 H new ATOM 0 HG SER A 8 -15.576 9.514 6.261 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.430 5.695 3.684 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.982 4.731 2.692 1.00 0.00 C ATOM 1138 C ASN A 9 -16.820 3.279 3.151 1.00 0.00 C ATOM 1139 O ASN A 9 -17.707 2.480 2.925 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.250 4.898 1.359 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.633 6.229 0.716 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.669 6.789 1.015 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.832 6.763 -0.162 1.00 0.00 N ATOM 0 H ASN A 9 -15.542 6.129 3.431 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.046 4.945 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.173 4.859 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.503 4.075 0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.074 7.652 -0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.963 6.292 -0.412 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.700 2.896 3.758 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.545 1.451 4.166 1.00 0.00 C ATOM 1152 C CYS A 10 -15.098 1.286 5.626 1.00 0.00 C ATOM 1153 O CYS A 10 -14.707 0.210 6.027 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.569 0.722 3.222 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.837 1.082 3.639 1.00 0.00 S ATOM 0 H CYS A 10 -14.912 3.505 3.981 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.533 0.998 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.741 -0.353 3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.766 1.022 2.193 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.655 2.369 3.665 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.195 2.306 6.436 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.833 2.170 7.886 1.00 0.00 C ATOM 1162 C GLN A 11 -13.392 1.685 8.106 1.00 0.00 C ATOM 1163 O GLN A 11 -12.963 1.559 9.235 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.792 1.173 8.550 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.240 1.611 8.321 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.187 0.609 8.987 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.089 0.356 10.172 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.105 0.020 8.268 1.00 0.00 N ATOM 0 H GLN A 11 -15.511 3.235 6.158 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.914 3.163 8.329 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.635 0.176 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.586 1.113 9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.399 2.608 8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.449 1.670 7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.188 0.232 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.739 -0.652 8.701 1.00 0.00 H new ATOM 1177 N THR A 12 -12.630 1.403 7.085 1.00 0.00 N ATOM 1178 CA THR A 12 -11.239 0.927 7.353 1.00 0.00 C ATOM 1179 C THR A 12 -10.462 2.037 8.084 1.00 0.00 C ATOM 1180 O THR A 12 -10.748 3.206 7.906 1.00 0.00 O ATOM 1181 CB THR A 12 -10.533 0.555 6.035 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.359 -0.185 6.334 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.150 1.805 5.243 1.00 0.00 C ATOM 0 H THR A 12 -12.897 1.477 6.103 1.00 0.00 H new ATOM 0 HA THR A 12 -11.275 0.035 7.979 1.00 0.00 H new ATOM 0 HB THR A 12 -11.217 -0.039 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.904 -0.428 5.501 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.654 1.512 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.048 2.376 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.475 2.420 5.838 1.00 0.00 H new ATOM 1191 N SER A 13 -9.476 1.693 8.889 1.00 0.00 N ATOM 1192 CA SER A 13 -8.673 2.749 9.613 1.00 0.00 C ATOM 1193 C SER A 13 -7.181 2.511 9.358 1.00 0.00 C ATOM 1194 O SER A 13 -6.335 3.172 9.927 1.00 0.00 O ATOM 1195 CB SER A 13 -8.947 2.683 11.114 1.00 0.00 C ATOM 1196 OG SER A 13 -8.577 1.399 11.601 1.00 0.00 O ATOM 0 H SER A 13 -9.192 0.732 9.077 1.00 0.00 H new ATOM 0 HA SER A 13 -8.961 3.733 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.383 3.458 11.633 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.003 2.870 11.312 1.00 0.00 H new ATOM 0 HG SER A 13 -8.749 1.352 12.565 1.00 0.00 H new ATOM 1202 N THR A 14 -6.851 1.574 8.503 1.00 0.00 N ATOM 1203 CA THR A 14 -5.413 1.285 8.194 1.00 0.00 C ATOM 1204 C THR A 14 -5.085 1.848 6.813 1.00 0.00 C ATOM 1205 O THR A 14 -4.603 1.161 5.947 1.00 0.00 O ATOM 1206 CB THR A 14 -5.186 -0.229 8.193 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.676 -0.781 6.980 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.926 -0.854 9.370 1.00 0.00 C ATOM 0 H THR A 14 -7.521 0.991 8.001 1.00 0.00 H new ATOM 0 HA THR A 14 -4.772 1.745 8.946 1.00 0.00 H new ATOM 0 HB THR A 14 -4.120 -0.436 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.181 -0.401 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.765 -1.932 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.551 -0.431 10.302 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.992 -0.647 9.281 1.00 0.00 H new ATOM 1216 N THR A 15 -5.427 3.078 6.586 1.00 0.00 N ATOM 1217 CA THR A 15 -5.212 3.689 5.235 1.00 0.00 C ATOM 1218 C THR A 15 -3.768 4.120 5.028 1.00 0.00 C ATOM 1219 O THR A 15 -3.096 4.549 5.945 1.00 0.00 O ATOM 1220 CB THR A 15 -6.070 4.945 5.120 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.381 6.042 5.705 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.354 4.726 5.890 1.00 0.00 C ATOM 0 H THR A 15 -5.850 3.698 7.277 1.00 0.00 H new ATOM 0 HA THR A 15 -5.474 2.936 4.492 1.00 0.00 H new ATOM 0 HB THR A 15 -6.279 5.152 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.997 6.550 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.978 5.616 5.817 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.888 3.873 5.472 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.122 4.531 6.937 1.00 0.00 H new ATOM 1230 N THR A 16 -3.303 4.055 3.811 1.00 0.00 N ATOM 1231 CA THR A 16 -1.924 4.514 3.523 1.00 0.00 C ATOM 1232 C THR A 16 -1.936 6.051 3.501 1.00 0.00 C ATOM 1233 O THR A 16 -1.032 6.697 3.993 1.00 0.00 O ATOM 1234 CB THR A 16 -1.470 3.998 2.155 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.475 4.271 1.191 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.187 2.494 2.193 1.00 0.00 C ATOM 0 H THR A 16 -3.822 3.703 3.006 1.00 0.00 H new ATOM 0 HA THR A 16 -1.240 4.138 4.283 1.00 0.00 H new ATOM 0 HB THR A 16 -0.546 4.509 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.185 3.943 0.314 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.867 2.159 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.400 2.290 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.093 1.960 2.481 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.973 6.640 2.935 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.067 8.140 2.880 1.00 0.00 C ATOM 1246 C LEU A 17 -4.548 8.546 3.021 1.00 0.00 C ATOM 1247 O LEU A 17 -5.408 7.999 2.360 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.508 8.659 1.533 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.832 10.030 1.718 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.403 9.837 2.254 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.775 10.749 0.362 1.00 0.00 C ATOM 0 H LEU A 17 -3.757 6.145 2.510 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.481 8.575 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.789 7.944 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.316 8.741 0.806 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.405 10.625 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.072 10.810 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.441 9.321 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.174 9.243 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.297 11.721 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.200 10.149 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.787 10.888 -0.019 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.859 9.495 3.869 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.283 9.920 4.034 1.00 0.00 C ATOM 1265 C TRP A 18 -6.682 10.895 2.917 1.00 0.00 C ATOM 1266 O TRP A 18 -5.991 11.857 2.646 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.434 10.629 5.387 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.443 9.606 6.478 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.460 9.427 7.387 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.462 8.607 6.773 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.814 8.383 8.223 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.037 7.848 7.887 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.703 8.288 6.191 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.810 6.813 8.407 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.483 7.242 6.711 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.037 6.507 7.816 1.00 0.00 C ATOM 0 H TRP A 18 -4.188 9.993 4.454 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.926 9.041 3.987 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.614 11.331 5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.357 11.208 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.549 10.003 7.451 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.238 8.050 8.996 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.058 8.851 5.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.463 6.251 9.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.433 7.003 6.256 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.642 5.704 8.211 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.795 10.646 2.266 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.258 11.546 1.158 1.00 0.00 C ATOM 1289 C ARG A 19 -9.604 12.165 1.548 1.00 0.00 C ATOM 1290 O ARG A 19 -10.556 11.451 1.782 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.491 10.717 -0.129 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.408 9.659 -0.305 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.101 10.336 -0.674 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.060 9.296 -0.902 1.00 0.00 N ATOM 1295 CZ ARG A 19 -3.950 9.594 -1.520 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.737 10.804 -1.952 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.044 8.677 -1.694 1.00 0.00 N ATOM 0 H ARG A 19 -8.407 9.852 2.456 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.502 12.313 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.469 10.237 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.501 11.379 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.288 9.088 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.697 8.952 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.231 10.941 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.789 11.011 0.123 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.216 8.343 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.441 11.528 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.866 11.028 -2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.203 7.731 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.174 8.904 -2.176 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.736 13.456 1.592 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.077 14.006 1.931 1.00 0.00 C ATOM 1313 C ARG A 20 -11.982 13.713 0.734 1.00 0.00 C ATOM 1314 O ARG A 20 -11.554 13.791 -0.401 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.987 15.514 2.192 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.108 15.785 3.424 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.900 15.540 4.717 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.076 15.979 5.881 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.606 16.061 7.071 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.868 15.778 7.246 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.875 16.425 8.090 1.00 0.00 N ATOM 0 H ARG A 20 -9.000 14.139 1.414 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.474 13.550 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.570 16.018 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.985 15.924 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.230 15.139 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.747 16.813 3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.841 16.090 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.151 14.483 4.810 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.093 16.216 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.441 15.492 6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.281 15.842 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.888 16.646 7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.291 16.489 9.019 1.00 0.00 H new ATOM 1335 N SER A 21 -13.222 13.359 0.959 1.00 0.00 N ATOM 1336 CA SER A 21 -14.119 13.047 -0.201 1.00 0.00 C ATOM 1337 C SER A 21 -14.757 14.348 -0.715 1.00 0.00 C ATOM 1338 O SER A 21 -14.930 15.281 0.036 1.00 0.00 O ATOM 1339 CB SER A 21 -15.200 12.050 0.231 1.00 0.00 C ATOM 1340 OG SER A 21 -14.656 10.740 0.211 1.00 0.00 O ATOM 0 H SER A 21 -13.650 13.273 1.881 1.00 0.00 H new ATOM 0 HA SER A 21 -13.537 12.597 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.558 12.293 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.058 12.111 -0.439 1.00 0.00 H new ATOM 0 HG SER A 21 -15.322 10.115 -0.143 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.093 14.426 -1.986 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.712 15.662 -2.543 1.00 0.00 C ATOM 1348 C PRO A 22 -16.859 16.209 -1.670 1.00 0.00 C ATOM 1349 O PRO A 22 -17.172 17.383 -1.707 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.236 15.178 -3.914 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.635 13.787 -4.205 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.877 13.310 -2.956 1.00 0.00 C ATOM 0 HA PRO A 22 -15.008 16.492 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.325 15.126 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.956 15.883 -4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.424 13.080 -4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.961 13.837 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.272 12.366 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.818 13.153 -3.162 1.00 0.00 H new ATOM 1360 N MET A 23 -17.487 15.364 -0.890 1.00 0.00 N ATOM 1361 CA MET A 23 -18.616 15.828 -0.019 1.00 0.00 C ATOM 1362 C MET A 23 -18.089 16.224 1.363 1.00 0.00 C ATOM 1363 O MET A 23 -18.769 16.875 2.131 1.00 0.00 O ATOM 1364 CB MET A 23 -19.633 14.696 0.136 1.00 0.00 C ATOM 1365 CG MET A 23 -18.940 13.462 0.720 1.00 0.00 C ATOM 1366 SD MET A 23 -20.083 12.058 0.699 1.00 0.00 S ATOM 1367 CE MET A 23 -21.277 12.704 1.896 1.00 0.00 C ATOM 0 H MET A 23 -17.267 14.371 -0.817 1.00 0.00 H new ATOM 0 HA MET A 23 -19.089 16.694 -0.482 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.447 15.011 0.788 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.074 14.455 -0.831 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.047 13.226 0.141 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.614 13.664 1.740 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.650 11.888 2.514 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.792 13.447 2.529 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.109 13.167 1.366 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.880 15.843 1.681 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.291 16.197 3.011 1.00 0.00 C ATOM 1379 C GLY A 24 -16.360 14.994 3.961 1.00 0.00 C ATOM 1380 O GLY A 24 -16.364 15.149 5.165 1.00 0.00 O ATOM 0 H GLY A 24 -16.269 15.298 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.255 16.511 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.830 17.041 3.442 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.404 13.796 3.434 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.459 12.575 4.296 1.00 0.00 C ATOM 1386 C ASP A 25 -15.089 11.857 4.247 1.00 0.00 C ATOM 1387 O ASP A 25 -14.710 11.358 3.208 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.525 11.629 3.732 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.916 12.206 4.010 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.999 13.387 4.305 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.875 11.456 3.927 1.00 0.00 O ATOM 0 H ASP A 25 -16.404 13.610 2.431 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.697 12.853 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.381 11.499 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.430 10.643 4.188 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.334 11.792 5.331 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.002 11.109 5.289 1.00 0.00 C ATOM 1398 C PRO A 26 -13.065 9.714 4.640 1.00 0.00 C ATOM 1399 O PRO A 26 -13.938 8.921 4.934 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.639 11.027 6.782 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.491 12.067 7.522 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.722 12.371 6.654 1.00 0.00 C ATOM 0 HA PRO A 26 -12.270 11.640 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.833 10.027 7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.578 11.226 6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.796 11.687 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.915 12.975 7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.624 11.906 7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.918 13.441 6.587 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.123 9.407 3.778 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.098 8.052 3.125 1.00 0.00 C ATOM 1412 C VAL A 27 -10.664 7.536 3.056 1.00 0.00 C ATOM 1413 O VAL A 27 -9.716 8.293 3.144 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.690 8.106 1.716 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.215 8.198 1.801 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.108 9.305 0.968 1.00 0.00 C ATOM 0 H VAL A 27 -11.369 10.034 3.497 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.705 7.376 3.727 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.434 7.199 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.634 8.236 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.604 7.324 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.495 9.100 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.528 9.346 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.355 10.222 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.025 9.203 0.904 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.489 6.245 2.895 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.112 5.687 2.821 1.00 0.00 C ATOM 1428 C CYS A 28 -8.553 5.841 1.402 1.00 0.00 C ATOM 1429 O CYS A 28 -9.279 5.910 0.430 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.101 4.209 3.283 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.935 3.104 2.103 1.00 0.00 S ATOM 0 H CYS A 28 -11.241 5.561 2.813 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.465 6.247 3.496 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.070 3.881 3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.588 4.132 4.255 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.893 2.466 2.708 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.256 5.914 1.302 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.574 6.086 -0.017 1.00 0.00 C ATOM 1438 C ASN A 29 -7.261 5.276 -1.122 1.00 0.00 C ATOM 1439 O ASN A 29 -7.433 5.755 -2.226 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.125 5.608 0.145 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.378 5.648 -1.193 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.944 5.390 -2.236 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.110 5.955 -1.202 1.00 0.00 N ATOM 0 H ASN A 29 -6.621 5.861 2.099 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.618 7.135 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.610 6.237 0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.116 4.592 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.597 5.978 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.632 6.172 -0.328 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.625 4.062 -0.863 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.259 3.246 -1.938 1.00 0.00 C ATOM 1452 C ALA A 30 -9.699 3.710 -2.250 1.00 0.00 C ATOM 1453 O ALA A 30 -10.058 3.866 -3.399 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.246 1.782 -1.515 1.00 0.00 C ATOM 0 H ALA A 30 -7.516 3.595 0.037 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.685 3.376 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.707 1.174 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.217 1.456 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.804 1.667 -0.586 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.533 3.918 -1.259 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.937 4.355 -1.564 1.00 0.00 C ATOM 1462 C CYS A 31 -11.909 5.699 -2.283 1.00 0.00 C ATOM 1463 O CYS A 31 -12.601 5.910 -3.245 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.744 4.552 -0.277 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.219 2.977 0.449 1.00 0.00 S ATOM 0 H CYS A 31 -10.311 3.807 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.396 3.581 -2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.153 5.122 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.637 5.139 -0.492 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.254 2.537 1.200 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.137 6.620 -1.794 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.102 7.962 -2.430 1.00 0.00 C ATOM 1472 C GLY A 32 -10.777 7.836 -3.915 1.00 0.00 C ATOM 1473 O GLY A 32 -11.501 8.320 -4.763 1.00 0.00 O ATOM 0 H GLY A 32 -10.529 6.504 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.064 8.458 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.355 8.585 -1.939 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.696 7.194 -4.241 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.325 7.040 -5.672 1.00 0.00 C ATOM 1479 C LEU A 33 -10.384 6.210 -6.403 1.00 0.00 C ATOM 1480 O LEU A 33 -10.835 6.573 -7.467 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.968 6.338 -5.753 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.905 7.185 -5.033 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.618 6.365 -4.862 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.602 8.461 -5.844 1.00 0.00 C ATOM 0 H LEU A 33 -9.050 6.767 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.266 8.020 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.031 5.350 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.685 6.190 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.286 7.471 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.867 6.968 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.830 5.474 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.242 6.070 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.848 9.052 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.230 8.185 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.514 9.049 -5.951 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.794 5.108 -5.853 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.828 4.284 -6.542 1.00 0.00 C ATOM 1498 C TYR A 34 -13.111 5.093 -6.733 1.00 0.00 C ATOM 1499 O TYR A 34 -13.727 5.071 -7.780 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.150 3.057 -5.693 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.207 2.232 -6.386 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.564 2.492 -6.151 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.833 1.207 -7.261 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.544 1.726 -6.790 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.815 0.442 -7.902 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.170 0.700 -7.666 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.136 -0.056 -8.295 1.00 0.00 O ATOM 0 H TYR A 34 -10.463 4.740 -4.961 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.440 3.981 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.250 2.461 -5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.501 3.364 -4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.853 3.284 -5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.787 1.006 -7.442 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.590 1.926 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.526 -0.348 -8.579 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.706 -0.724 -8.869 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.527 5.781 -5.712 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.781 6.571 -5.787 1.00 0.00 C ATOM 1519 C TYR A 35 -14.638 7.719 -6.782 1.00 0.00 C ATOM 1520 O TYR A 35 -15.492 7.966 -7.587 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.084 7.144 -4.395 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.549 7.477 -4.299 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.007 8.713 -4.752 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.443 6.545 -3.762 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.369 9.026 -4.669 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.804 6.849 -3.677 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.270 8.093 -4.131 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.614 8.399 -4.045 1.00 0.00 O ATOM 0 H TYR A 35 -13.044 5.830 -4.815 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.591 5.923 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.813 6.421 -3.625 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.485 8.037 -4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.312 9.428 -5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.081 5.589 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.726 9.984 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.495 6.129 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.097 7.643 -3.650 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.582 8.447 -6.721 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.446 9.587 -7.656 1.00 0.00 C ATOM 1540 C LYS A 36 -13.475 9.081 -9.104 1.00 0.00 C ATOM 1541 O LYS A 36 -14.080 9.686 -9.966 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.113 10.268 -7.372 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.915 11.455 -8.309 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.626 12.194 -7.927 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.399 11.394 -8.381 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.186 12.248 -8.268 1.00 0.00 N ATOM 0 H LYS A 36 -12.807 8.311 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.268 10.289 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.082 10.605 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.298 9.555 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.858 11.112 -9.342 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.768 12.131 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.615 13.182 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.591 12.345 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.287 10.500 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.528 11.061 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.352 11.708 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.296 13.089 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.061 12.545 -7.279 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.828 7.985 -9.382 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.825 7.456 -10.779 1.00 0.00 C ATOM 1562 C LEU A 37 -14.202 6.889 -11.167 1.00 0.00 C ATOM 1563 O LEU A 37 -14.636 7.057 -12.288 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.756 6.351 -10.905 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.397 6.963 -11.280 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.042 8.101 -10.312 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.322 5.873 -11.214 1.00 0.00 C ATOM 0 H LEU A 37 -12.301 7.432 -8.706 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.595 8.279 -11.456 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.671 5.809 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.058 5.628 -11.663 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.450 7.369 -12.290 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.077 8.526 -10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.808 8.875 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.989 7.711 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.355 6.300 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.276 5.468 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.570 5.074 -11.913 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.874 6.185 -10.279 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.202 5.573 -10.646 1.00 0.00 C ATOM 1581 C HIS A 38 -17.350 6.130 -9.791 1.00 0.00 C ATOM 1582 O HIS A 38 -18.484 5.745 -9.967 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.103 4.061 -10.447 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.010 3.527 -11.327 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.255 3.070 -12.612 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.660 3.389 -11.130 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.079 2.684 -13.135 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.074 2.858 -12.274 1.00 0.00 N ATOM 0 H HIS A 38 -14.565 6.008 -9.323 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.423 5.819 -11.684 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.893 3.831 -9.403 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.052 3.585 -10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.133 3.652 -10.225 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.961 2.282 -14.130 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.087 2.647 -12.423 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.082 7.041 -8.896 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.154 7.652 -8.039 1.00 0.00 C ATOM 1598 C GLN A 39 -19.258 6.664 -7.663 1.00 0.00 C ATOM 1599 O GLN A 39 -20.423 7.007 -7.631 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.728 8.884 -8.734 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.410 8.482 -10.047 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.167 9.684 -10.608 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.433 10.633 -9.898 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.528 9.684 -11.861 1.00 0.00 N ATOM 0 H GLN A 39 -16.145 7.400 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.690 7.949 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.446 9.378 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.932 9.602 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.667 8.137 -10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.096 7.653 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.304 8.887 -12.456 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.034 10.481 -12.246 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.898 5.458 -7.334 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.901 4.450 -6.907 1.00 0.00 C ATOM 1615 C VAL A 40 -19.303 3.649 -5.758 1.00 0.00 C ATOM 1616 O VAL A 40 -18.100 3.543 -5.624 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.232 3.499 -8.051 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.034 4.229 -9.137 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.935 2.937 -8.638 1.00 0.00 C ATOM 0 H VAL A 40 -17.934 5.123 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.816 4.957 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.839 2.678 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.263 3.537 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.963 4.608 -8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.447 5.061 -9.526 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.171 2.257 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.320 3.756 -9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.389 2.398 -7.864 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.124 3.078 -4.933 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.595 2.275 -3.794 1.00 0.00 C ATOM 1631 C ASN A 41 -19.328 0.845 -4.285 1.00 0.00 C ATOM 1632 O ASN A 41 -19.870 0.423 -5.287 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.637 2.249 -2.679 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.903 1.566 -3.195 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.105 1.460 -4.388 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.771 1.097 -2.343 1.00 0.00 N ATOM 0 H ASN A 41 -21.141 3.129 -4.994 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.671 2.713 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.248 1.714 -1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.864 3.264 -2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.620 0.641 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.602 1.186 -1.341 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.496 0.088 -3.601 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.196 -1.317 -4.044 1.00 0.00 C ATOM 1645 C ARG A 42 -18.113 -2.230 -2.803 1.00 0.00 C ATOM 1646 O ARG A 42 -17.743 -1.775 -1.739 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.839 -1.335 -4.754 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.826 -0.530 -3.923 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.398 -0.723 -4.470 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.392 -0.604 -3.359 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.404 0.401 -2.518 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -14.230 1.396 -2.673 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.542 0.430 -1.536 1.00 0.00 N ATOM 0 H ARG A 42 -18.011 0.383 -2.754 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.979 -1.667 -4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.493 -2.361 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.931 -0.907 -5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.089 0.528 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.868 -0.848 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.312 -1.701 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.192 0.023 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.679 -1.327 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.881 1.401 -3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.226 2.170 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.866 -0.326 -1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.545 1.209 -0.877 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.430 -3.508 -2.920 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.341 -4.423 -1.746 1.00 0.00 C ATOM 1669 C PRO A 43 -17.030 -4.233 -0.961 1.00 0.00 C ATOM 1670 O PRO A 43 -16.018 -3.842 -1.506 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.421 -5.814 -2.402 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.904 -5.636 -3.856 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.890 -4.130 -4.196 1.00 0.00 C ATOM 0 HA PRO A 43 -19.121 -4.248 -1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.445 -6.300 -2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.108 -6.456 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.257 -6.185 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.909 -6.042 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.214 -3.908 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.877 -3.772 -4.488 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.054 -4.494 0.318 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.826 -4.319 1.151 1.00 0.00 C ATOM 1683 C LEU A 44 -14.880 -5.503 0.966 1.00 0.00 C ATOM 1684 O LEU A 44 -13.704 -5.418 1.263 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.230 -4.218 2.625 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.765 -2.814 2.915 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.122 -2.616 2.231 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.924 -2.639 4.426 1.00 0.00 C ATOM 0 H LEU A 44 -17.875 -4.823 0.826 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.313 -3.409 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.991 -4.963 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.372 -4.430 3.263 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.063 -2.075 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.494 -1.614 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.008 -2.740 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.831 -3.353 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.305 -1.640 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.624 -3.383 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.957 -2.769 4.911 1.00 0.00 H new ATOM 1700 N THR A 45 -15.375 -6.608 0.498 1.00 0.00 N ATOM 1701 CA THR A 45 -14.488 -7.789 0.319 1.00 0.00 C ATOM 1702 C THR A 45 -13.239 -7.382 -0.472 1.00 0.00 C ATOM 1703 O THR A 45 -12.309 -8.150 -0.618 1.00 0.00 O ATOM 1704 CB THR A 45 -15.248 -8.900 -0.422 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.556 -10.128 -0.256 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.360 -8.576 -1.918 1.00 0.00 C ATOM 0 H THR A 45 -16.350 -6.747 0.232 1.00 0.00 H new ATOM 0 HA THR A 45 -14.181 -8.163 1.296 1.00 0.00 H new ATOM 0 HB THR A 45 -16.253 -8.976 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.596 -9.983 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.901 -9.375 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.896 -7.636 -2.048 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.362 -8.486 -2.347 1.00 0.00 H new ATOM 1714 N MET A 46 -13.204 -6.176 -0.978 1.00 0.00 N ATOM 1715 CA MET A 46 -12.008 -5.728 -1.748 1.00 0.00 C ATOM 1716 C MET A 46 -10.862 -5.391 -0.790 1.00 0.00 C ATOM 1717 O MET A 46 -9.711 -5.667 -1.061 1.00 0.00 O ATOM 1718 CB MET A 46 -12.359 -4.487 -2.565 1.00 0.00 C ATOM 1719 CG MET A 46 -11.209 -4.171 -3.521 1.00 0.00 C ATOM 1720 SD MET A 46 -11.618 -2.692 -4.477 1.00 0.00 S ATOM 1721 CE MET A 46 -10.209 -2.745 -5.608 1.00 0.00 C ATOM 0 H MET A 46 -13.950 -5.485 -0.891 1.00 0.00 H new ATOM 0 HA MET A 46 -11.697 -6.532 -2.414 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.278 -4.655 -3.126 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.540 -3.640 -1.903 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.288 -4.013 -2.960 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.034 -5.014 -4.190 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.265 -1.904 -6.299 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.282 -2.685 -5.038 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.229 -3.679 -6.170 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.171 -4.777 0.318 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.105 -4.394 1.291 1.00 0.00 C ATOM 1733 C ARG A 47 -9.628 -5.631 2.060 1.00 0.00 C ATOM 1734 O ARG A 47 -10.332 -6.611 2.189 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.668 -3.342 2.274 1.00 0.00 C ATOM 1736 CG ARG A 47 -10.517 -1.890 1.702 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.887 -1.219 1.509 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.455 -1.643 0.194 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.722 -1.466 -0.065 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.501 -0.933 0.831 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -14.207 -1.819 -1.224 1.00 0.00 N ATOM 0 H ARG A 47 -12.119 -4.522 0.594 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.257 -3.970 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.720 -3.550 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.145 -3.416 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.909 -1.291 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.990 -1.926 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.561 -1.500 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.783 -0.134 1.542 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.850 -2.073 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.121 -0.654 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.491 -0.795 0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.596 -2.233 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.197 -1.681 -1.426 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.424 -5.575 2.572 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.858 -6.725 3.342 1.00 0.00 C ATOM 1757 C LYS A 48 -7.899 -6.388 4.834 1.00 0.00 C ATOM 1758 O LYS A 48 -8.441 -5.380 5.242 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.399 -6.966 2.921 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.348 -7.688 1.566 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.783 -6.738 0.444 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.355 -7.308 -0.910 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.914 -8.679 -1.074 1.00 0.00 N ATOM 0 H LYS A 48 -7.802 -4.771 2.488 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.444 -7.622 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.871 -6.015 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.889 -7.562 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.337 -8.049 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.000 -8.561 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.864 -6.603 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.336 -5.755 0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.706 -6.662 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.267 -7.337 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.892 -8.945 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.345 -9.354 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.896 -8.696 -0.733 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.306 -7.216 5.647 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.273 -6.960 7.115 1.00 0.00 C ATOM 1779 C ASP A 49 -6.008 -6.159 7.448 1.00 0.00 C ATOM 1780 O ASP A 49 -5.730 -5.867 8.593 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.252 -8.295 7.863 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.363 -9.201 7.324 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.215 -8.698 6.609 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.342 -10.381 7.633 1.00 0.00 O ATOM 0 H ASP A 49 -6.836 -8.072 5.353 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.156 -6.396 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.283 -8.778 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.391 -8.128 8.931 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.254 -5.784 6.446 1.00 0.00 N ATOM 1790 CA GLY A 50 -4.015 -4.979 6.680 1.00 0.00 C ATOM 1791 C GLY A 50 -3.723 -4.149 5.424 1.00 0.00 C ATOM 1792 O GLY A 50 -4.438 -4.233 4.445 1.00 0.00 O ATOM 0 H GLY A 50 -5.445 -6.002 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.146 -4.326 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.174 -5.636 6.903 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.672 -3.362 5.421 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.350 -2.563 4.203 1.00 0.00 C ATOM 1798 C ILE A 51 -1.510 -3.435 3.257 1.00 0.00 C ATOM 1799 O ILE A 51 -0.658 -4.192 3.681 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.607 -1.280 4.620 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.661 -0.282 5.128 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -0.845 -0.674 3.428 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -2.038 1.044 5.573 1.00 0.00 C ATOM 0 H ILE A 51 -2.030 -3.241 6.204 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.256 -2.262 3.678 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.877 -1.508 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.389 -0.092 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.204 -0.724 5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.329 0.231 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.117 -1.395 3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.549 -0.428 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.822 1.715 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.330 0.860 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.518 1.502 4.732 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.768 -3.350 1.979 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.022 -4.184 0.996 1.00 0.00 C ATOM 1817 C GLN A 52 0.337 -3.556 0.649 1.00 0.00 C ATOM 1818 O GLN A 52 0.486 -2.356 0.550 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.902 -4.347 -0.272 1.00 0.00 C ATOM 1820 CG GLN A 52 -1.047 -4.425 -1.545 1.00 0.00 C ATOM 1821 CD GLN A 52 -1.917 -4.843 -2.728 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -1.613 -5.797 -3.415 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -2.995 -4.161 -2.998 1.00 0.00 N ATOM 0 H GLN A 52 -2.470 -2.732 1.572 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.814 -5.162 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.507 -5.250 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.592 -3.507 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.586 -3.457 -1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.237 -5.141 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.250 -3.360 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.584 -4.429 -3.787 1.00 0.00 H new ATOM 1832 N THR A 53 1.326 -4.385 0.443 1.00 0.00 N ATOM 1833 CA THR A 53 2.682 -3.885 0.067 1.00 0.00 C ATOM 1834 C THR A 53 3.205 -4.726 -1.092 1.00 0.00 C ATOM 1835 O THR A 53 2.794 -5.850 -1.307 1.00 0.00 O ATOM 1836 CB THR A 53 3.644 -3.982 1.250 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.968 -4.164 0.765 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.252 -5.163 2.129 1.00 0.00 C ATOM 0 H THR A 53 1.251 -5.399 0.520 1.00 0.00 H new ATOM 0 HA THR A 53 2.611 -2.838 -0.226 1.00 0.00 H new ATOM 0 HB THR A 53 3.596 -3.065 1.838 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.588 -4.225 1.521 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.938 -5.232 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.236 -5.021 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.300 -6.083 1.546 1.00 0.00 H new ATOM 1846 N ARG A 54 4.095 -4.166 -1.846 1.00 0.00 N ATOM 1847 CA ARG A 54 4.659 -4.887 -3.024 1.00 0.00 C ATOM 1848 C ARG A 54 6.078 -4.394 -3.290 1.00 0.00 C ATOM 1849 O ARG A 54 6.480 -3.351 -2.814 1.00 0.00 O ATOM 1850 CB ARG A 54 3.768 -4.602 -4.247 1.00 0.00 C ATOM 1851 CG ARG A 54 3.977 -5.675 -5.332 1.00 0.00 C ATOM 1852 CD ARG A 54 3.103 -6.904 -5.041 1.00 0.00 C ATOM 1853 NE ARG A 54 3.656 -8.092 -5.747 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.291 -9.289 -5.378 1.00 0.00 C ATOM 1855 NH1 ARG A 54 2.484 -9.437 -4.364 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.740 -10.336 -6.015 1.00 0.00 N ATOM 0 H ARG A 54 4.466 -3.227 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 54 4.688 -5.959 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.721 -4.582 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.001 -3.617 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.727 -5.266 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.027 -5.967 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.067 -7.091 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.079 -6.719 -5.367 1.00 0.00 H new ATOM 0 HE ARG A 54 4.316 -7.971 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.140 -8.618 -3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.197 -10.371 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.377 -10.219 -6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.454 -11.271 -5.725 1.00 0.00 H new ATOM 1870 N ASN A 55 6.841 -5.124 -4.054 1.00 0.00 N ATOM 1871 CA ASN A 55 8.219 -4.666 -4.348 1.00 0.00 C ATOM 1872 C ASN A 55 8.131 -3.270 -4.961 1.00 0.00 C ATOM 1873 O ASN A 55 7.285 -2.994 -5.788 1.00 0.00 O ATOM 1874 CB ASN A 55 8.895 -5.622 -5.332 1.00 0.00 C ATOM 1875 CG ASN A 55 10.378 -5.270 -5.439 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.909 -4.565 -4.603 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.076 -5.731 -6.440 1.00 0.00 N ATOM 0 H ASN A 55 6.570 -6.009 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 55 8.810 -4.644 -3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.777 -6.652 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.421 -5.550 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.066 -5.500 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.632 -6.323 -7.142 1.00 0.00 H new ATOM 1884 N ARG A 56 8.981 -2.383 -4.539 1.00 0.00 N ATOM 1885 CA ARG A 56 8.937 -0.993 -5.066 1.00 0.00 C ATOM 1886 C ARG A 56 9.303 -0.974 -6.552 1.00 0.00 C ATOM 1887 O ARG A 56 10.256 -1.600 -6.972 1.00 0.00 O ATOM 1888 CB ARG A 56 9.948 -0.150 -4.294 1.00 0.00 C ATOM 1889 CG ARG A 56 9.599 -0.183 -2.806 1.00 0.00 C ATOM 1890 CD ARG A 56 10.420 0.875 -2.077 1.00 0.00 C ATOM 1891 NE ARG A 56 10.305 0.684 -0.605 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.189 1.226 0.188 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.183 1.905 -0.315 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.079 1.088 1.481 1.00 0.00 N ATOM 0 H ARG A 56 9.710 -2.560 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 56 7.930 -0.593 -4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.956 -0.534 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.938 0.877 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.534 0.004 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.806 -1.170 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.465 0.809 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.071 1.871 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 56 9.539 0.132 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.268 2.011 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.875 2.329 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.302 0.556 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.770 1.512 2.100 1.00 0.00 H new ATOM 1908 N LYS A 57 8.556 -0.260 -7.355 1.00 0.00 N ATOM 1909 CA LYS A 57 8.869 -0.207 -8.811 1.00 0.00 C ATOM 1910 C LYS A 57 10.219 0.478 -9.031 1.00 0.00 C ATOM 1911 O LYS A 57 10.966 0.709 -8.100 1.00 0.00 O ATOM 1912 CB LYS A 57 7.775 0.546 -9.551 1.00 0.00 C ATOM 1913 CG LYS A 57 7.546 1.897 -8.900 1.00 0.00 C ATOM 1914 CD LYS A 57 6.436 2.605 -9.669 1.00 0.00 C ATOM 1915 CE LYS A 57 6.137 3.969 -9.041 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.781 4.422 -9.466 1.00 0.00 N ATOM 0 H LYS A 57 7.745 0.287 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 57 8.922 -1.224 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.056 0.679 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.852 -0.033 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.267 1.774 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.461 2.489 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.732 2.734 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.535 1.991 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.186 3.900 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.889 4.696 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.575 5.349 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.751 4.502 -10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.070 3.731 -9.152 1.00 0.00 H new ATOM 1930 N VAL A 58 10.546 0.790 -10.256 1.00 0.00 N ATOM 1931 CA VAL A 58 11.854 1.442 -10.532 1.00 0.00 C ATOM 1932 C VAL A 58 11.932 2.771 -9.778 1.00 0.00 C ATOM 1933 O VAL A 58 10.938 3.437 -9.570 1.00 0.00 O ATOM 1934 CB VAL A 58 11.984 1.692 -12.036 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.737 0.385 -12.791 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.959 2.740 -12.478 1.00 0.00 C ATOM 0 H VAL A 58 9.963 0.621 -11.076 1.00 0.00 H new ATOM 0 HA VAL A 58 12.665 0.794 -10.200 1.00 0.00 H new ATOM 0 HB VAL A 58 12.987 2.057 -12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.829 0.561 -13.863 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.471 -0.359 -12.481 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.734 0.020 -12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.056 2.914 -13.550 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.954 2.381 -12.258 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.137 3.672 -11.941 1.00 0.00 H new