USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=17 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= 0.332 USER MOD Set 1.2: A 10 CYS SG : rot -56:sc= -2.33! USER MOD Set 1.3: A 28 CYS SG : rot -122:sc= 0.578 USER MOD Set 1.4: A 31 CYS SG : rot 84:sc= 0.038 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 72:sc= 0.933 USER MOD Single : A 9 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) 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 58:sc= 0.791 USER MOD Single : A 15 THR OG1 : rot -142:sc= 0.809 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0889 USER MOD Single : A 21 SER OG : rot -170:sc=-0.00789 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.96! C(o=-4!,f=-5.2!) 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= -0.0954 X(o=-0.095,f=0) USER MOD Single : A 39 GLN : amide:sc= -3.75! C(o=-3.7!,f=-6.2!) USER MOD Single : A 41 ASN : amide:sc= -0.214 K(o=-0.21,f=-8.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc=-0.00452 X(o=-0.0045,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 55 ASN : amide:sc=-0.00923 X(o=-0.0092,f=-0.41) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -5.855 9.879 14.506 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.616 9.477 15.724 1.00 0.00 C ATOM 1070 C ALA A 3 -8.126 9.532 15.468 1.00 0.00 C ATOM 1071 O ALA A 3 -8.708 10.589 15.318 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.265 10.421 16.875 1.00 0.00 C ATOM 0 HA ALA A 3 -6.344 8.453 15.980 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.820 10.130 17.767 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.196 10.365 17.078 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.529 11.442 16.601 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.765 8.391 15.449 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.242 8.350 15.241 1.00 0.00 C ATOM 1080 C GLY A 4 -10.588 8.405 13.752 1.00 0.00 C ATOM 1081 O GLY A 4 -11.724 8.206 13.370 1.00 0.00 O ATOM 0 H GLY A 4 -8.323 7.480 15.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.649 7.439 15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.709 9.189 15.758 1.00 0.00 H new ATOM 1085 N THR A 5 -9.641 8.691 12.904 1.00 0.00 N ATOM 1086 CA THR A 5 -9.972 8.773 11.455 1.00 0.00 C ATOM 1087 C THR A 5 -10.329 7.392 10.914 1.00 0.00 C ATOM 1088 O THR A 5 -9.500 6.507 10.841 1.00 0.00 O ATOM 1089 CB THR A 5 -8.782 9.321 10.670 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.215 10.416 11.376 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.251 9.787 9.285 1.00 0.00 C ATOM 0 H THR A 5 -8.666 8.869 13.146 1.00 0.00 H new ATOM 0 HA THR A 5 -10.825 9.442 11.339 1.00 0.00 H new ATOM 0 HB THR A 5 -8.032 8.539 10.551 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.450 10.768 10.874 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.401 10.178 8.726 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.684 8.945 8.745 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.001 10.570 9.399 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.558 7.222 10.503 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.006 5.926 9.917 1.00 0.00 C ATOM 1101 C VAL A 6 -12.519 6.222 8.513 1.00 0.00 C ATOM 1102 O VAL A 6 -13.121 7.249 8.270 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.111 5.304 10.771 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.519 4.862 12.110 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.229 6.323 11.023 1.00 0.00 C ATOM 0 H VAL A 6 -12.282 7.939 10.550 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.182 5.213 9.884 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.529 4.446 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.302 4.417 12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.733 4.127 11.936 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.100 5.726 12.625 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.008 5.865 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.821 7.188 11.545 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.653 6.641 10.071 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.277 5.360 7.580 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.745 5.623 6.200 1.00 0.00 C ATOM 1117 C CYS A 7 -14.265 5.667 6.155 1.00 0.00 C ATOM 1118 O CYS A 7 -14.943 4.711 6.474 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.223 4.514 5.310 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.676 4.817 3.587 1.00 0.00 S ATOM 0 H CYS A 7 -11.775 4.482 7.711 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.374 6.588 5.855 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.139 4.447 5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.630 3.557 5.636 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.868 4.165 2.805 1.00 0.00 H new ATOM 1125 N SER A 8 -14.798 6.785 5.765 1.00 0.00 N ATOM 1126 CA SER A 8 -16.268 6.930 5.693 1.00 0.00 C ATOM 1127 C SER A 8 -16.851 5.917 4.712 1.00 0.00 C ATOM 1128 O SER A 8 -17.906 5.360 4.943 1.00 0.00 O ATOM 1129 CB SER A 8 -16.598 8.333 5.194 1.00 0.00 C ATOM 1130 OG SER A 8 -16.087 9.293 6.108 1.00 0.00 O ATOM 0 H SER A 8 -14.270 7.613 5.490 1.00 0.00 H new ATOM 0 HA SER A 8 -16.693 6.760 6.682 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.166 8.490 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.677 8.450 5.092 1.00 0.00 H new ATOM 0 HG SER A 8 -15.110 9.327 6.035 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.198 5.692 3.599 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.767 4.740 2.608 1.00 0.00 C ATOM 1138 C ASN A 9 -16.549 3.283 3.020 1.00 0.00 C ATOM 1139 O ASN A 9 -17.422 2.467 2.796 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.121 4.988 1.244 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.624 6.318 0.680 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.668 6.800 1.073 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.924 6.936 -0.229 1.00 0.00 N ATOM 0 H ASN A 9 -15.310 6.121 3.340 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.842 4.911 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.036 5.009 1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.364 4.175 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.253 7.823 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.048 6.532 -0.560 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.407 2.911 3.590 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.212 1.459 3.956 1.00 0.00 C ATOM 1152 C CYS A 10 -14.767 1.277 5.415 1.00 0.00 C ATOM 1153 O CYS A 10 -14.384 0.193 5.805 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.225 0.779 2.982 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.502 1.122 3.432 1.00 0.00 S ATOM 0 H CYS A 10 -14.628 3.531 3.810 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.182 0.970 3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.395 -0.298 2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.414 1.130 1.967 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.314 2.407 3.480 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.862 2.291 6.242 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.507 2.137 7.693 1.00 0.00 C ATOM 1162 C GLN A 11 -13.084 1.617 7.923 1.00 0.00 C ATOM 1163 O GLN A 11 -12.673 1.455 9.055 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.508 1.175 8.350 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.862 1.868 8.509 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.877 0.876 9.083 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.609 -0.402 9.056 1.00 0.00 O flip ATOM 1168 NE2 GLN A 11 -18.924 1.267 9.557 1.00 0.00 N flip ATOM 0 H GLN A 11 -15.172 3.225 5.974 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.554 3.130 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.617 0.277 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.135 0.856 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.766 2.730 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.207 2.241 7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.133 2.265 9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.595 0.597 9.934 1.00 0.00 H new ATOM 1177 N THR A 12 -12.315 1.357 6.910 1.00 0.00 N ATOM 1178 CA THR A 12 -10.938 0.859 7.184 1.00 0.00 C ATOM 1179 C THR A 12 -10.163 1.956 7.927 1.00 0.00 C ATOM 1180 O THR A 12 -10.460 3.127 7.783 1.00 0.00 O ATOM 1181 CB THR A 12 -10.231 0.505 5.865 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.035 -0.207 6.157 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.887 1.773 5.084 1.00 0.00 C ATOM 0 H THR A 12 -12.567 1.463 5.927 1.00 0.00 H new ATOM 0 HA THR A 12 -10.982 -0.041 7.797 1.00 0.00 H new ATOM 0 HB THR A 12 -10.897 -0.109 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.579 -0.438 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.387 1.503 4.154 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.802 2.321 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.226 2.401 5.682 1.00 0.00 H new ATOM 1191 N SER A 13 -9.167 1.596 8.701 1.00 0.00 N ATOM 1192 CA SER A 13 -8.360 2.630 9.438 1.00 0.00 C ATOM 1193 C SER A 13 -6.875 2.397 9.145 1.00 0.00 C ATOM 1194 O SER A 13 -6.014 3.074 9.669 1.00 0.00 O ATOM 1195 CB SER A 13 -8.613 2.514 10.939 1.00 0.00 C ATOM 1196 OG SER A 13 -8.210 1.223 11.381 1.00 0.00 O ATOM 0 H SER A 13 -8.875 0.631 8.857 1.00 0.00 H new ATOM 0 HA SER A 13 -8.652 3.627 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.059 3.285 11.474 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.669 2.673 11.156 1.00 0.00 H new ATOM 0 HG SER A 13 -8.368 1.143 12.345 1.00 0.00 H new ATOM 1202 N THR A 14 -6.571 1.439 8.303 1.00 0.00 N ATOM 1203 CA THR A 14 -5.146 1.144 7.956 1.00 0.00 C ATOM 1204 C THR A 14 -4.831 1.782 6.608 1.00 0.00 C ATOM 1205 O THR A 14 -4.357 1.149 5.700 1.00 0.00 O ATOM 1206 CB THR A 14 -4.954 -0.369 7.861 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.425 -0.825 6.600 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.742 -1.047 8.977 1.00 0.00 C ATOM 0 H THR A 14 -7.256 0.844 7.837 1.00 0.00 H new ATOM 0 HA THR A 14 -4.482 1.545 8.721 1.00 0.00 H new ATOM 0 HB THR A 14 -3.897 -0.613 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.949 -0.356 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.608 -2.127 8.913 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.382 -0.693 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.800 -0.806 8.874 1.00 0.00 H new ATOM 1216 N THR A 15 -5.166 3.017 6.460 1.00 0.00 N ATOM 1217 CA THR A 15 -4.960 3.710 5.154 1.00 0.00 C ATOM 1218 C THR A 15 -3.510 4.134 4.969 1.00 0.00 C ATOM 1219 O THR A 15 -2.851 4.559 5.899 1.00 0.00 O ATOM 1220 CB THR A 15 -5.823 4.967 5.151 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.137 6.008 5.832 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.109 4.666 5.899 1.00 0.00 C ATOM 0 H THR A 15 -5.581 3.594 7.192 1.00 0.00 H new ATOM 0 HA THR A 15 -5.227 3.025 4.349 1.00 0.00 H new ATOM 0 HB THR A 15 -6.035 5.272 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.777 6.534 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.741 5.554 5.908 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.636 3.851 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.875 4.377 6.924 1.00 0.00 H new ATOM 1230 N THR A 16 -3.023 4.075 3.761 1.00 0.00 N ATOM 1231 CA THR A 16 -1.636 4.535 3.512 1.00 0.00 C ATOM 1232 C THR A 16 -1.667 6.059 3.484 1.00 0.00 C ATOM 1233 O THR A 16 -0.758 6.721 3.942 1.00 0.00 O ATOM 1234 CB THR A 16 -1.120 4.042 2.158 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.814 4.720 1.121 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.320 2.531 2.002 1.00 0.00 C ATOM 0 H THR A 16 -3.524 3.730 2.943 1.00 0.00 H new ATOM 0 HA THR A 16 -0.980 4.146 4.291 1.00 0.00 H new ATOM 0 HB THR A 16 -0.052 4.251 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.487 4.410 0.251 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.943 2.213 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.778 2.009 2.790 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.382 2.295 2.075 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.728 6.625 2.945 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.838 8.114 2.886 1.00 0.00 C ATOM 1246 C LEU A 17 -4.296 8.515 3.150 1.00 0.00 C ATOM 1247 O LEU A 17 -5.209 7.991 2.542 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.401 8.618 1.490 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.702 9.982 1.610 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.363 9.832 2.379 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.456 10.556 0.194 1.00 0.00 C ATOM 0 H LEU A 17 -3.517 6.117 2.546 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.190 8.561 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.727 7.896 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.270 8.703 0.838 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.338 10.669 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.123 10.805 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.559 9.443 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.289 9.143 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.960 11.523 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.825 9.871 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.410 10.679 -0.320 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.532 9.448 4.032 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.932 9.870 4.298 1.00 0.00 C ATOM 1265 C TRP A 18 -6.376 10.850 3.216 1.00 0.00 C ATOM 1266 O TRP A 18 -5.741 11.854 2.962 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.003 10.546 5.675 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.106 9.491 6.731 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.188 9.258 7.693 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.166 8.509 6.928 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.621 8.198 8.471 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.833 7.709 8.043 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.374 8.242 6.258 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.663 6.680 8.481 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.212 7.202 6.696 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.856 6.423 7.804 1.00 0.00 C ATOM 0 H TRP A 18 -3.818 9.933 4.576 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.590 9.001 4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.116 11.158 5.840 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.864 11.212 5.723 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.269 9.807 7.832 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.103 7.824 9.266 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.659 8.838 5.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.385 6.085 9.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.137 7.002 6.175 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.504 5.624 8.134 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.464 10.545 2.576 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.994 11.411 1.490 1.00 0.00 C ATOM 1289 C ARG A 19 -9.369 11.948 1.890 1.00 0.00 C ATOM 1290 O ARG A 19 -10.229 11.192 2.271 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.158 10.527 0.238 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.796 10.309 -0.452 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.318 11.607 -1.121 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.442 11.279 -2.295 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.440 10.441 -2.191 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -4.012 10.052 -1.023 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.816 10.048 -3.267 1.00 0.00 N ATOM 0 H ARG A 19 -8.022 9.712 2.764 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.320 12.247 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.588 9.566 0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.854 10.997 -0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.060 9.978 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.882 9.519 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.175 12.196 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.768 12.216 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.631 11.719 -3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.458 10.400 -0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.231 9.399 -0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.109 10.393 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.035 9.396 -3.194 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.615 13.228 1.807 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.980 13.715 2.171 1.00 0.00 C ATOM 1313 C ARG A 20 -11.866 13.509 0.943 1.00 0.00 C ATOM 1314 O ARG A 20 -11.400 13.582 -0.178 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.943 15.201 2.549 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.218 15.392 3.891 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.148 15.047 5.066 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.502 15.471 6.337 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.212 15.601 7.425 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.498 15.377 7.406 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.630 15.964 8.535 1.00 0.00 N ATOM 0 H ARG A 20 -8.950 13.943 1.511 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.365 13.169 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.435 15.769 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.958 15.591 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.332 14.759 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.876 16.423 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.108 15.549 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.349 13.976 5.085 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.500 15.661 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.954 15.098 6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.046 15.480 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.626 16.144 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.179 16.067 9.388 1.00 0.00 H new ATOM 1335 N SER A 21 -13.132 13.241 1.129 1.00 0.00 N ATOM 1336 CA SER A 21 -14.026 13.014 -0.052 1.00 0.00 C ATOM 1337 C SER A 21 -14.654 14.350 -0.488 1.00 0.00 C ATOM 1338 O SER A 21 -14.747 15.273 0.292 1.00 0.00 O ATOM 1339 CB SER A 21 -15.113 11.995 0.324 1.00 0.00 C ATOM 1340 OG SER A 21 -14.689 10.696 -0.070 1.00 0.00 O ATOM 0 H SER A 21 -13.586 13.169 2.040 1.00 0.00 H new ATOM 0 HA SER A 21 -13.448 12.617 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.297 12.021 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.053 12.249 -0.167 1.00 0.00 H new ATOM 0 HG SER A 21 -15.435 10.067 0.021 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.078 14.455 -1.730 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.705 15.712 -2.230 1.00 0.00 C ATOM 1348 C PRO A 22 -16.824 16.211 -1.299 1.00 0.00 C ATOM 1349 O PRO A 22 -17.174 17.375 -1.297 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.271 15.273 -3.604 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.914 13.788 -3.832 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.960 13.344 -2.719 1.00 0.00 C ATOM 0 HA PRO A 22 -15.006 16.546 -2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.352 15.410 -3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.853 15.889 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.816 13.176 -3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.446 13.656 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.255 12.386 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.938 13.230 -3.082 1.00 0.00 H new ATOM 1360 N MET A 23 -17.392 15.325 -0.523 1.00 0.00 N ATOM 1361 CA MET A 23 -18.499 15.716 0.402 1.00 0.00 C ATOM 1362 C MET A 23 -17.927 16.123 1.766 1.00 0.00 C ATOM 1363 O MET A 23 -18.605 16.717 2.580 1.00 0.00 O ATOM 1364 CB MET A 23 -19.436 14.520 0.584 1.00 0.00 C ATOM 1365 CG MET A 23 -20.748 14.985 1.215 1.00 0.00 C ATOM 1366 SD MET A 23 -21.845 13.564 1.445 1.00 0.00 S ATOM 1367 CE MET A 23 -23.184 14.444 2.286 1.00 0.00 C ATOM 0 H MET A 23 -17.134 14.339 -0.490 1.00 0.00 H new ATOM 0 HA MET A 23 -19.043 16.561 -0.021 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.631 14.049 -0.379 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.963 13.768 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.552 15.466 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.227 15.728 0.578 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.985 13.744 2.526 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.805 14.891 3.205 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.570 15.227 1.634 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.689 15.793 2.026 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.067 16.141 3.341 1.00 0.00 C ATOM 1379 C GLY A 24 -16.098 14.913 4.252 1.00 0.00 C ATOM 1380 O GLY A 24 -16.087 15.026 5.463 1.00 0.00 O ATOM 0 H GLY A 24 -16.077 15.294 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.040 16.474 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.606 16.967 3.805 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.142 13.735 3.679 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.181 12.485 4.498 1.00 0.00 C ATOM 1386 C ASP A 25 -14.787 11.808 4.485 1.00 0.00 C ATOM 1387 O ASP A 25 -14.311 11.428 3.436 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.180 11.516 3.859 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.491 12.245 3.559 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.630 13.377 3.990 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.335 11.654 2.904 1.00 0.00 O ATOM 0 H ASP A 25 -16.153 13.586 2.670 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.468 12.730 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.764 11.104 2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.365 10.676 4.529 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.126 11.629 5.614 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.786 10.958 5.611 1.00 0.00 C ATOM 1398 C PRO A 26 -12.797 9.611 4.856 1.00 0.00 C ATOM 1399 O PRO A 26 -13.601 8.752 5.145 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.540 10.748 7.118 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.459 11.716 7.877 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.630 12.069 6.951 1.00 0.00 C ATOM 0 HA PRO A 26 -12.017 11.539 5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.752 9.717 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.496 10.938 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.823 11.257 8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.914 12.615 8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.543 11.545 7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.855 13.135 6.969 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.890 9.410 3.915 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.837 8.091 3.180 1.00 0.00 C ATOM 1412 C VAL A 27 -10.388 7.591 3.091 1.00 0.00 C ATOM 1413 O VAL A 27 -9.452 8.358 3.196 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.434 8.195 1.765 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.961 8.274 1.851 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.890 9.427 1.040 1.00 0.00 C ATOM 0 H VAL A 27 -11.191 10.095 3.627 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.439 7.381 3.747 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.149 7.307 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.379 8.348 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.345 7.378 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.248 9.153 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.324 9.483 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.152 10.324 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.805 9.353 0.961 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.193 6.302 2.893 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.804 5.759 2.794 1.00 0.00 C ATOM 1428 C CYS A 28 -8.272 5.993 1.371 1.00 0.00 C ATOM 1429 O CYS A 28 -9.028 6.181 0.439 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.784 4.263 3.189 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.611 3.211 1.960 1.00 0.00 S ATOM 0 H CYS A 28 -10.936 5.610 2.797 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.147 6.279 3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.751 3.935 3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.271 4.139 4.156 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.580 2.558 2.529 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.973 6.046 1.213 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.376 6.343 -0.131 1.00 0.00 C ATOM 1438 C ASN A 29 -6.972 5.457 -1.232 1.00 0.00 C ATOM 1439 O ASN A 29 -7.069 5.873 -2.369 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.856 6.131 -0.068 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.208 6.609 -1.371 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.809 6.537 -2.422 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.997 7.100 -1.347 1.00 0.00 N ATOM 0 H ASN A 29 -6.295 5.896 1.960 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.606 7.379 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.439 6.678 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.634 5.076 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.560 7.421 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.489 7.162 -0.465 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.375 4.256 -0.937 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.954 3.405 -2.020 1.00 0.00 C ATOM 1452 C ALA A 30 -9.385 3.862 -2.358 1.00 0.00 C ATOM 1453 O ALA A 30 -9.715 4.060 -3.510 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.958 1.945 -1.585 1.00 0.00 C ATOM 0 H ALA A 30 -7.332 3.828 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.339 3.509 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.381 1.330 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.937 1.623 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.559 1.836 -0.682 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.245 4.024 -1.379 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.646 4.458 -1.698 1.00 0.00 C ATOM 1462 C CYS A 31 -11.613 5.788 -2.440 1.00 0.00 C ATOM 1463 O CYS A 31 -12.363 6.010 -3.353 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.470 4.660 -0.422 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.915 3.077 0.308 1.00 0.00 S ATOM 0 H CYS A 31 -10.044 3.878 -0.390 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.101 3.677 -2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.899 5.249 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.373 5.226 -0.652 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.936 2.651 1.050 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.767 6.684 -2.042 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.732 8.001 -2.727 1.00 0.00 C ATOM 1472 C GLY A 32 -10.466 7.813 -4.221 1.00 0.00 C ATOM 1473 O GLY A 32 -11.160 8.358 -5.054 1.00 0.00 O ATOM 0 H GLY A 32 -10.101 6.567 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.679 8.520 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.955 8.627 -2.288 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.465 7.058 -4.569 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.155 6.851 -6.013 1.00 0.00 C ATOM 1479 C LEU A 33 -10.272 6.055 -6.683 1.00 0.00 C ATOM 1480 O LEU A 33 -10.781 6.439 -7.717 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.837 6.085 -6.128 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.722 6.878 -5.434 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.418 6.074 -5.488 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.531 8.242 -6.126 1.00 0.00 C ATOM 0 H LEU A 33 -8.847 6.574 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.070 7.818 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.936 5.100 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.586 5.927 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.997 7.052 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.624 6.635 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.557 5.120 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.144 5.894 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.737 8.796 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.261 8.086 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.460 8.810 -6.073 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.668 4.956 -6.113 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.756 4.157 -6.736 1.00 0.00 C ATOM 1498 C TYR A 34 -13.024 5.004 -6.831 1.00 0.00 C ATOM 1499 O TYR A 34 -13.732 4.976 -7.819 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.040 2.926 -5.878 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.175 2.149 -6.488 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.493 2.502 -6.193 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.911 1.079 -7.349 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.551 1.786 -6.758 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.969 0.361 -7.915 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.291 0.715 -7.620 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.336 0.008 -8.182 1.00 0.00 O ATOM 0 H TYR A 34 -10.288 4.576 -5.246 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.447 3.847 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.150 2.301 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.294 3.227 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.695 3.329 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.891 0.807 -7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.571 2.059 -6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.766 -0.466 -8.579 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.979 -0.702 -8.756 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.324 5.743 -5.802 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.554 6.579 -5.815 1.00 0.00 C ATOM 1519 C TYR A 35 -14.399 7.732 -6.812 1.00 0.00 C ATOM 1520 O TYR A 35 -15.261 7.997 -7.601 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.802 7.152 -4.413 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.245 7.576 -4.298 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.634 8.836 -4.758 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.192 6.707 -3.738 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.974 9.234 -4.659 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.530 7.102 -3.638 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.923 8.366 -4.098 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.243 8.759 -3.998 1.00 0.00 O ATOM 0 H TYR A 35 -12.768 5.804 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.398 5.958 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.569 6.404 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.145 8.003 -4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.903 9.503 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.888 5.733 -3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.276 10.208 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.260 6.433 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.768 8.040 -3.588 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.316 8.432 -6.782 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.169 9.564 -7.736 1.00 0.00 C ATOM 1540 C LYS A 36 -13.245 9.049 -9.177 1.00 0.00 C ATOM 1541 O LYS A 36 -13.870 9.652 -10.027 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.814 10.229 -7.496 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.611 11.374 -8.487 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.329 12.131 -8.131 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.109 11.217 -8.311 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.885 12.050 -8.476 1.00 0.00 N ATOM 0 H LYS A 36 -12.530 8.279 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.972 10.284 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.761 10.607 -6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.015 9.496 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.546 10.984 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.466 12.050 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.230 13.012 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.380 12.484 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.002 10.561 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.246 10.577 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.058 11.431 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.989 12.658 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.752 12.643 -7.632 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.612 7.950 -9.464 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.646 7.410 -10.853 1.00 0.00 C ATOM 1562 C LEU A 37 -14.044 6.865 -11.211 1.00 0.00 C ATOM 1563 O LEU A 37 -14.512 7.074 -12.313 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.581 6.298 -10.978 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.235 6.893 -11.434 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.763 7.970 -10.447 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.188 5.780 -11.501 1.00 0.00 C ATOM 0 H LEU A 37 -12.071 7.399 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.426 8.215 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.457 5.795 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.914 5.545 -11.693 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.365 7.346 -12.417 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.811 8.380 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.504 8.768 -10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.638 7.528 -9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.234 6.197 -11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.073 5.329 -10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.510 5.019 -12.212 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.710 6.154 -10.317 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.069 5.584 -10.661 1.00 0.00 C ATOM 1581 C HIS A 38 -17.185 6.184 -9.795 1.00 0.00 C ATOM 1582 O HIS A 38 -18.329 5.814 -9.943 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.052 4.070 -10.454 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.010 3.465 -11.347 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.317 2.926 -12.586 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.654 3.328 -11.201 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.166 2.494 -13.134 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.121 2.715 -12.331 1.00 0.00 N ATOM 0 H HIS A 38 -14.378 5.945 -9.376 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.273 5.835 -11.702 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.836 3.835 -9.412 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.032 3.648 -10.680 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.086 3.647 -10.340 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.096 2.026 -14.105 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.143 2.484 -12.508 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.885 7.099 -8.912 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.930 7.739 -8.041 1.00 0.00 C ATOM 1598 C GLN A 39 -19.082 6.793 -7.672 1.00 0.00 C ATOM 1599 O GLN A 39 -20.238 7.166 -7.718 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.450 9.014 -8.718 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.078 8.686 -10.086 1.00 0.00 C ATOM 1602 CD GLN A 39 -17.985 8.587 -11.160 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -16.895 9.096 -10.985 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -18.232 7.953 -12.274 1.00 0.00 N ATOM 0 H GLN A 39 -15.938 7.441 -8.750 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.452 7.995 -7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.190 9.496 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.632 9.722 -8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.626 7.746 -10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.798 9.458 -10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.145 7.524 -12.425 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -17.512 7.886 -12.993 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.775 5.588 -7.258 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.835 4.631 -6.830 1.00 0.00 C ATOM 1615 C VAL A 40 -19.331 3.854 -5.610 1.00 0.00 C ATOM 1616 O VAL A 40 -18.148 3.635 -5.446 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.159 3.644 -7.949 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.932 4.348 -9.069 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.867 3.042 -8.502 1.00 0.00 C ATOM 0 H VAL A 40 -17.823 5.225 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.739 5.190 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.780 2.844 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.157 3.633 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.862 4.753 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.327 5.160 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.106 2.339 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.235 3.837 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.338 2.520 -7.704 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.220 3.433 -4.756 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.798 2.663 -3.543 1.00 0.00 C ATOM 1631 C ASN A 41 -19.688 1.174 -3.895 1.00 0.00 C ATOM 1632 O ASN A 41 -20.519 0.648 -4.608 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.846 2.835 -2.440 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.207 2.370 -2.959 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.430 2.321 -4.151 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.134 2.020 -2.108 1.00 0.00 N ATOM 0 H ASN A 41 -21.225 3.587 -4.842 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.833 3.034 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.563 2.257 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.899 3.879 -2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.044 1.706 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.948 2.061 -1.106 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.677 0.483 -3.400 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.524 -0.983 -3.709 1.00 0.00 C ATOM 1645 C ARG A 42 -18.453 -1.781 -2.381 1.00 0.00 C ATOM 1646 O ARG A 42 -17.998 -1.262 -1.382 1.00 0.00 O ATOM 1647 CB ARG A 42 -17.244 -1.187 -4.552 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.965 -1.010 -3.709 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.850 0.435 -3.186 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.474 0.522 -1.835 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.256 1.559 -1.072 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.530 2.555 -1.503 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -16.776 1.602 0.125 1.00 0.00 N ATOM 0 H ARG A 42 -17.953 0.872 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.379 -1.345 -4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -17.254 -2.185 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -17.236 -0.475 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.978 -1.705 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.090 -1.254 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.803 0.733 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.344 1.123 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 42 -17.075 -0.233 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.129 2.526 -2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.363 3.362 -0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.349 0.828 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.609 2.410 0.725 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.905 -3.027 -2.343 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.860 -3.820 -1.074 1.00 0.00 C ATOM 1669 C PRO A 43 -17.467 -3.836 -0.412 1.00 0.00 C ATOM 1670 O PRO A 43 -16.450 -3.756 -1.073 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.273 -5.235 -1.538 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.708 -5.164 -3.017 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.487 -3.727 -3.529 1.00 0.00 C ATOM 0 HA PRO A 43 -19.507 -3.397 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.440 -5.929 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.089 -5.611 -0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -19.132 -5.871 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.757 -5.443 -3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.810 -3.704 -4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -20.421 -3.266 -3.850 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.427 -3.952 0.893 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.119 -3.990 1.623 1.00 0.00 C ATOM 1683 C LEU A 44 -15.282 -5.182 1.145 1.00 0.00 C ATOM 1684 O LEU A 44 -14.236 -5.471 1.692 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.395 -4.118 3.133 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.514 -2.726 3.754 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.711 -2.000 3.141 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.713 -2.855 5.265 1.00 0.00 C ATOM 0 H LEU A 44 -18.251 -4.023 1.490 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.564 -3.073 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.314 -4.680 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.590 -4.674 3.614 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.604 -2.160 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.799 -1.007 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.568 -1.908 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.621 -2.567 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.798 -1.862 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.623 -3.420 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.860 -3.375 5.701 1.00 0.00 H new ATOM 1700 N THR A 45 -15.719 -5.868 0.132 1.00 0.00 N ATOM 1701 CA THR A 45 -14.928 -7.020 -0.369 1.00 0.00 C ATOM 1702 C THR A 45 -13.581 -6.503 -0.880 1.00 0.00 C ATOM 1703 O THR A 45 -12.665 -7.261 -1.131 1.00 0.00 O ATOM 1704 CB THR A 45 -15.695 -7.699 -1.507 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.014 -8.883 -1.896 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.799 -6.749 -2.701 1.00 0.00 C ATOM 0 H THR A 45 -16.587 -5.682 -0.370 1.00 0.00 H new ATOM 0 HA THR A 45 -14.762 -7.743 0.429 1.00 0.00 H new ATOM 0 HB THR A 45 -16.698 -7.953 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.505 -9.319 -2.623 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.346 -7.237 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.327 -5.844 -2.401 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.799 -6.488 -3.046 1.00 0.00 H new ATOM 1714 N MET A 46 -13.450 -5.205 -1.029 1.00 0.00 N ATOM 1715 CA MET A 46 -12.159 -4.623 -1.518 1.00 0.00 C ATOM 1716 C MET A 46 -11.321 -4.192 -0.311 1.00 0.00 C ATOM 1717 O MET A 46 -10.151 -3.886 -0.422 1.00 0.00 O ATOM 1718 CB MET A 46 -12.459 -3.407 -2.405 1.00 0.00 C ATOM 1719 CG MET A 46 -11.217 -3.034 -3.218 1.00 0.00 C ATOM 1720 SD MET A 46 -10.880 -4.330 -4.438 1.00 0.00 S ATOM 1721 CE MET A 46 -9.529 -3.494 -5.304 1.00 0.00 C ATOM 0 H MET A 46 -14.183 -4.523 -0.833 1.00 0.00 H new ATOM 0 HA MET A 46 -11.608 -5.363 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.289 -3.631 -3.075 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.767 -2.563 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.372 -2.079 -3.720 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.360 -2.911 -2.556 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.166 -4.130 -6.111 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.890 -2.552 -5.718 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.717 -3.295 -4.605 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.929 -4.168 0.840 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.215 -3.764 2.086 1.00 0.00 C ATOM 1733 C ARG A 47 -10.398 -4.938 2.642 1.00 0.00 C ATOM 1734 O ARG A 47 -10.902 -6.033 2.793 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.264 -3.337 3.111 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.618 -3.054 4.468 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.709 -2.612 5.430 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.137 -2.506 6.802 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.824 -1.947 7.759 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.026 -1.501 7.524 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.310 -1.846 8.955 1.00 0.00 N ATOM 0 H ARG A 47 -12.909 -4.416 0.974 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.529 -2.944 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.782 -2.445 2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.014 -4.120 3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.118 -3.946 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.858 -2.279 4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.118 -1.651 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.531 -3.327 5.420 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.204 -2.872 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.429 -1.589 6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.563 -1.064 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.373 -2.204 9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.846 -1.409 9.705 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.141 -4.712 2.959 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.280 -5.807 3.522 1.00 0.00 C ATOM 1757 C LYS A 48 -7.829 -5.414 4.938 1.00 0.00 C ATOM 1758 O LYS A 48 -7.399 -4.303 5.181 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.056 -6.003 2.615 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.511 -6.348 1.183 1.00 0.00 C ATOM 1761 CD LYS A 48 -7.864 -7.850 1.060 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.630 -8.655 0.641 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.997 -10.097 0.537 1.00 0.00 N ATOM 0 H LYS A 48 -8.673 -3.812 2.851 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.843 -6.739 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.452 -5.096 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.426 -6.801 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.379 -5.744 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.720 -6.098 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.242 -8.221 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.660 -7.984 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.253 -8.294 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.830 -8.523 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.162 -10.648 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.338 -10.436 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.747 -10.214 -0.174 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.981 -6.307 5.882 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.630 -6.013 7.305 1.00 0.00 C ATOM 1779 C ASP A 49 -6.196 -5.480 7.458 1.00 0.00 C ATOM 1780 O ASP A 49 -5.743 -5.229 8.559 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.763 -7.312 8.100 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.928 -8.398 7.422 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.354 -8.881 6.384 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -5.876 -8.725 7.945 1.00 0.00 O ATOM 0 H ASP A 49 -8.341 -7.248 5.723 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.305 -5.240 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.425 -7.162 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.808 -7.617 8.150 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.473 -5.302 6.384 1.00 0.00 N ATOM 1790 CA GLY A 50 -4.073 -4.784 6.506 1.00 0.00 C ATOM 1791 C GLY A 50 -3.685 -4.020 5.238 1.00 0.00 C ATOM 1792 O GLY A 50 -4.372 -4.072 4.237 1.00 0.00 O ATOM 0 H GLY A 50 -5.786 -5.491 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.993 -4.129 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.383 -5.612 6.667 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.570 -3.331 5.265 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.114 -2.584 4.059 1.00 0.00 C ATOM 1798 C ILE A 51 -1.226 -3.498 3.221 1.00 0.00 C ATOM 1799 O ILE A 51 -0.293 -4.104 3.710 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.347 -1.331 4.511 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.373 -0.343 5.061 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -0.598 -0.674 3.341 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.713 0.964 5.507 1.00 0.00 C ATOM 0 H ILE A 51 -1.956 -3.256 6.076 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.964 -2.271 3.452 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.608 -1.611 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.121 -0.131 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.897 -0.793 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.067 0.209 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.117 -1.383 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.312 -0.381 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.474 1.643 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.983 0.755 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.211 1.427 4.657 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.512 -3.596 1.955 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.692 -4.463 1.067 1.00 0.00 C ATOM 1817 C GLN A 52 0.574 -3.712 0.654 1.00 0.00 C ATOM 1818 O GLN A 52 0.594 -2.503 0.572 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.496 -4.829 -0.183 1.00 0.00 C ATOM 1820 CG GLN A 52 -2.689 -5.703 0.205 1.00 0.00 C ATOM 1821 CD GLN A 52 -3.591 -5.891 -1.015 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -3.747 -6.992 -1.506 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.192 -4.853 -1.535 1.00 0.00 N ATOM 0 H GLN A 52 -2.282 -3.111 1.495 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.421 -5.374 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.844 -3.924 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.861 -5.359 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.343 -6.670 0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.247 -5.238 1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.061 -3.929 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.791 -4.967 -2.352 1.00 0.00 H new ATOM 1832 N THR A 53 1.631 -4.426 0.391 1.00 0.00 N ATOM 1833 CA THR A 53 2.907 -3.772 -0.031 1.00 0.00 C ATOM 1834 C THR A 53 3.488 -4.563 -1.199 1.00 0.00 C ATOM 1835 O THR A 53 3.040 -5.649 -1.508 1.00 0.00 O ATOM 1836 CB THR A 53 3.893 -3.754 1.136 1.00 0.00 C ATOM 1837 OG1 THR A 53 5.222 -3.719 0.637 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.691 -5.002 1.987 1.00 0.00 C ATOM 0 H THR A 53 1.669 -5.444 0.450 1.00 0.00 H new ATOM 0 HA THR A 53 2.719 -2.743 -0.337 1.00 0.00 H new ATOM 0 HB THR A 53 3.719 -2.869 1.748 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.853 -3.706 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.393 -4.992 2.820 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.671 -5.019 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.864 -5.889 1.378 1.00 0.00 H new ATOM 1846 N ARG A 54 4.466 -4.022 -1.865 1.00 0.00 N ATOM 1847 CA ARG A 54 5.056 -4.746 -3.028 1.00 0.00 C ATOM 1848 C ARG A 54 6.515 -4.329 -3.223 1.00 0.00 C ATOM 1849 O ARG A 54 6.956 -3.321 -2.709 1.00 0.00 O ATOM 1850 CB ARG A 54 4.231 -4.420 -4.283 1.00 0.00 C ATOM 1851 CG ARG A 54 4.422 -5.520 -5.344 1.00 0.00 C ATOM 1852 CD ARG A 54 3.448 -5.313 -6.527 1.00 0.00 C ATOM 1853 NE ARG A 54 2.789 -6.614 -6.877 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.483 -7.716 -7.030 1.00 0.00 C ATOM 1855 NH1 ARG A 54 4.784 -7.696 -6.954 1.00 0.00 N ATOM 1856 NH2 ARG A 54 2.866 -8.840 -7.280 1.00 0.00 N ATOM 0 H ARG A 54 4.883 -3.114 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 54 5.032 -5.820 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.176 -4.335 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.538 -3.456 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.450 -5.508 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.254 -6.499 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.693 -4.572 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.988 -4.924 -7.391 1.00 0.00 H new ATOM 0 HE ARG A 54 1.777 -6.642 -6.999 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.271 -6.818 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.315 -8.558 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.849 -8.858 -7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.401 -9.700 -7.400 1.00 0.00 H new ATOM 1870 N ASN A 55 7.268 -5.098 -3.962 1.00 0.00 N ATOM 1871 CA ASN A 55 8.696 -4.737 -4.185 1.00 0.00 C ATOM 1872 C ASN A 55 8.767 -3.310 -4.731 1.00 0.00 C ATOM 1873 O ASN A 55 8.008 -2.922 -5.596 1.00 0.00 O ATOM 1874 CB ASN A 55 9.326 -5.705 -5.192 1.00 0.00 C ATOM 1875 CG ASN A 55 10.836 -5.465 -5.264 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.497 -5.364 -4.248 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.415 -5.369 -6.430 1.00 0.00 N ATOM 0 H ASN A 55 6.958 -5.956 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 55 9.242 -4.801 -3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.126 -6.735 -4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.878 -5.564 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.421 -5.209 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.862 -5.454 -7.283 1.00 0.00 H new ATOM 1884 N ARG A 56 9.672 -2.526 -4.215 1.00 0.00 N ATOM 1885 CA ARG A 56 9.803 -1.115 -4.675 1.00 0.00 C ATOM 1886 C ARG A 56 10.024 -1.084 -6.187 1.00 0.00 C ATOM 1887 O ARG A 56 10.980 -1.631 -6.701 1.00 0.00 O ATOM 1888 CB ARG A 56 11.014 -0.490 -3.969 1.00 0.00 C ATOM 1889 CG ARG A 56 11.231 0.976 -4.395 1.00 0.00 C ATOM 1890 CD ARG A 56 10.307 1.920 -3.618 1.00 0.00 C ATOM 1891 NE ARG A 56 10.810 3.327 -3.768 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.007 3.669 -3.366 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.732 2.826 -2.686 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.464 4.870 -3.603 1.00 0.00 N ATOM 0 H ARG A 56 10.332 -2.804 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 56 8.896 -0.558 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.870 -0.537 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.908 -1.071 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.270 1.257 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.045 1.078 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.287 1.843 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.281 1.639 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 56 10.206 4.031 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.366 1.899 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.665 3.093 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.887 5.546 -4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.398 5.132 -3.287 1.00 0.00 H new ATOM 1908 N LYS A 57 9.151 -0.425 -6.896 1.00 0.00 N ATOM 1909 CA LYS A 57 9.302 -0.326 -8.369 1.00 0.00 C ATOM 1910 C LYS A 57 10.569 0.459 -8.700 1.00 0.00 C ATOM 1911 O LYS A 57 11.402 0.698 -7.849 1.00 0.00 O ATOM 1912 CB LYS A 57 8.093 0.369 -8.964 1.00 0.00 C ATOM 1913 CG LYS A 57 7.899 1.717 -8.297 1.00 0.00 C ATOM 1914 CD LYS A 57 6.679 2.371 -8.928 1.00 0.00 C ATOM 1915 CE LYS A 57 6.436 3.758 -8.329 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.486 4.503 -9.201 1.00 0.00 N ATOM 0 H LYS A 57 8.335 0.052 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 57 9.379 -1.327 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.228 0.500 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.204 -0.246 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.756 1.596 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.782 2.342 -8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.822 2.455 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.802 1.743 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.030 3.667 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.377 4.302 -8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.315 5.448 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.892 4.599 -10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.587 3.984 -9.258 1.00 0.00 H new ATOM 1930 N VAL A 58 10.732 0.849 -9.932 1.00 0.00 N ATOM 1931 CA VAL A 58 11.954 1.605 -10.313 1.00 0.00 C ATOM 1932 C VAL A 58 12.027 2.910 -9.518 1.00 0.00 C ATOM 1933 O VAL A 58 11.033 3.565 -9.277 1.00 0.00 O ATOM 1934 CB VAL A 58 11.918 1.903 -11.817 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.076 2.833 -12.210 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.058 0.585 -12.577 1.00 0.00 C ATOM 0 H VAL A 58 10.072 0.677 -10.691 1.00 0.00 H new ATOM 0 HA VAL A 58 12.838 1.008 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 58 10.976 2.393 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.034 3.033 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.991 3.771 -11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.025 2.355 -11.967 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.034 0.779 -13.649 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.005 0.112 -12.315 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.235 -0.078 -12.310 1.00 0.00 H new