USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=19 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 157:sc= 0.499 USER MOD Set 1.2: A 10 CYS SG : rot -50:sc= -0.807 USER MOD Set 1.3: A 28 CYS SG : rot -122:sc= 0.777 USER MOD Set 1.4: A 31 CYS SG : rot 146:sc= -0.0636 USER MOD Set 2.1: A 12 THR OG1 : rot -114:sc= 0.301 USER MOD Set 2.2: A 14 THR OG1 : rot -137:sc= 1.24 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 77:sc= 0.894 USER MOD Single : A 9 ASN : amide:sc= -2.96! C(o=-3!,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= -0.0733 K(o=-0.073,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -131:sc= 0.417 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0904 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 23 MET CE :methyl -156:sc= -0.163 (180deg=-0.911) USER MOD Single : A 29 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.49) 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 :FLIP no HD1:sc= -0.674 F(o=-2,f=-0.67) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.1!) 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 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0525 F(o=-1.7!,f=-0.053) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.439 9.365 14.435 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.224 8.880 15.605 1.00 0.00 C ATOM 1070 C ALA A 3 -8.722 8.941 15.300 1.00 0.00 C ATOM 1071 O ALA A 3 -9.293 10.002 15.144 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.913 9.759 16.817 1.00 0.00 C ATOM 0 HA ALA A 3 -6.950 7.846 15.816 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.485 9.409 17.677 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.848 9.704 17.043 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.184 10.791 16.597 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.365 7.807 15.236 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.832 7.788 14.967 1.00 0.00 C ATOM 1080 C GLY A 4 -11.104 7.890 13.465 1.00 0.00 C ATOM 1081 O GLY A 4 -12.216 7.689 13.019 1.00 0.00 O ATOM 0 H GLY A 4 -8.936 6.890 15.359 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.268 6.869 15.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.314 8.616 15.487 1.00 0.00 H new ATOM 1085 N THR A 5 -10.116 8.216 12.676 1.00 0.00 N ATOM 1086 CA THR A 5 -10.376 8.339 11.215 1.00 0.00 C ATOM 1087 C THR A 5 -10.684 6.963 10.628 1.00 0.00 C ATOM 1088 O THR A 5 -9.823 6.113 10.525 1.00 0.00 O ATOM 1089 CB THR A 5 -9.153 8.926 10.508 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.648 10.019 11.261 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.550 9.408 9.106 1.00 0.00 C ATOM 0 H THR A 5 -9.158 8.399 12.973 1.00 0.00 H new ATOM 0 HA THR A 5 -11.229 9.001 11.066 1.00 0.00 H new ATOM 0 HB THR A 5 -8.383 8.159 10.422 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.864 10.393 10.808 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.677 9.826 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.934 8.568 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.322 10.173 9.189 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.907 6.757 10.212 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.305 5.459 9.589 1.00 0.00 C ATOM 1101 C VAL A 6 -12.708 5.770 8.152 1.00 0.00 C ATOM 1102 O VAL A 6 -13.330 6.781 7.890 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.492 4.851 10.350 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.028 4.397 11.737 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.604 5.894 10.509 1.00 0.00 C ATOM 0 H VAL A 6 -12.658 7.444 10.279 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.486 4.740 9.621 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.875 3.999 9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.869 3.965 12.279 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.242 3.649 11.631 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.642 5.253 12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.441 5.453 11.050 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.223 6.750 11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.940 6.221 9.525 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.365 4.945 7.208 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.742 5.256 5.807 1.00 0.00 C ATOM 1117 C CYS A 7 -14.255 5.287 5.671 1.00 0.00 C ATOM 1118 O CYS A 7 -14.936 4.301 5.873 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.163 4.194 4.888 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.574 4.597 3.172 1.00 0.00 S ATOM 0 H CYS A 7 -11.845 4.078 7.343 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.345 6.233 5.532 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.081 4.140 5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.563 3.214 5.149 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.725 4.019 2.375 1.00 0.00 H new ATOM 1125 N SER A 8 -14.784 6.423 5.334 1.00 0.00 N ATOM 1126 CA SER A 8 -16.251 6.547 5.182 1.00 0.00 C ATOM 1127 C SER A 8 -16.756 5.592 4.102 1.00 0.00 C ATOM 1128 O SER A 8 -17.817 5.014 4.227 1.00 0.00 O ATOM 1129 CB SER A 8 -16.593 7.978 4.771 1.00 0.00 C ATOM 1130 OG SER A 8 -16.140 8.877 5.774 1.00 0.00 O ATOM 0 H SER A 8 -14.257 7.278 5.156 1.00 0.00 H new ATOM 0 HA SER A 8 -16.726 6.299 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.125 8.216 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.669 8.081 4.633 1.00 0.00 H new ATOM 0 HG SER A 8 -15.170 8.994 5.694 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.034 5.449 3.017 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.533 4.563 1.930 1.00 0.00 C ATOM 1138 C ASN A 9 -16.361 3.080 2.275 1.00 0.00 C ATOM 1139 O ASN A 9 -17.224 2.288 1.946 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.766 4.868 0.643 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.165 6.251 0.119 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.582 6.745 -0.825 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.138 6.905 0.698 1.00 0.00 N ATOM 0 H ASN A 9 -15.136 5.901 2.842 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.598 4.757 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.693 4.836 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.981 4.108 -0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.406 7.828 0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.629 6.492 1.491 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.264 2.663 2.898 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.101 1.190 3.197 1.00 0.00 C ATOM 1152 C CYS A 10 -14.745 0.925 4.669 1.00 0.00 C ATOM 1153 O CYS A 10 -14.391 -0.181 5.025 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.067 0.561 2.240 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.366 0.916 2.765 1.00 0.00 S ATOM 0 H CYS A 10 -14.497 3.262 3.203 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.065 0.711 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.218 -0.518 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.224 0.944 1.232 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.236 2.191 2.983 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.893 1.897 5.536 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.643 1.685 7.000 1.00 0.00 C ATOM 1162 C GLN A 11 -13.224 1.223 7.334 1.00 0.00 C ATOM 1163 O GLN A 11 -12.924 0.987 8.488 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.635 0.653 7.547 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.060 1.158 7.327 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.056 0.135 7.873 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.783 -1.049 7.892 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.208 0.549 8.323 1.00 0.00 N ATOM 0 H GLN A 11 -15.181 2.844 5.289 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.776 2.660 7.468 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.495 -0.305 7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.456 0.486 8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.198 2.117 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.238 1.323 6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.435 1.543 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.882 -0.122 8.692 1.00 0.00 H new ATOM 1177 N THR A 12 -12.334 1.088 6.394 1.00 0.00 N ATOM 1178 CA THR A 12 -10.971 0.643 6.798 1.00 0.00 C ATOM 1179 C THR A 12 -10.371 1.708 7.719 1.00 0.00 C ATOM 1180 O THR A 12 -10.622 2.885 7.543 1.00 0.00 O ATOM 1181 CB THR A 12 -10.070 0.423 5.567 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.845 -0.156 5.991 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.777 1.738 4.838 1.00 0.00 C ATOM 0 H THR A 12 -12.480 1.259 5.399 1.00 0.00 H new ATOM 0 HA THR A 12 -11.040 -0.310 7.322 1.00 0.00 H new ATOM 0 HB THR A 12 -10.593 -0.238 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.112 0.474 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.139 1.542 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.713 2.184 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.270 2.425 5.516 1.00 0.00 H new ATOM 1191 N SER A 13 -9.562 1.315 8.675 1.00 0.00 N ATOM 1192 CA SER A 13 -8.918 2.327 9.586 1.00 0.00 C ATOM 1193 C SER A 13 -7.433 2.367 9.243 1.00 0.00 C ATOM 1194 O SER A 13 -6.699 3.242 9.656 1.00 0.00 O ATOM 1195 CB SER A 13 -9.129 1.942 11.051 1.00 0.00 C ATOM 1196 OG SER A 13 -10.449 1.441 11.218 1.00 0.00 O ATOM 0 H SER A 13 -9.318 0.343 8.867 1.00 0.00 H new ATOM 0 HA SER A 13 -9.366 3.311 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.401 1.188 11.350 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.972 2.809 11.693 1.00 0.00 H new ATOM 0 HG SER A 13 -10.588 1.191 12.155 1.00 0.00 H new ATOM 1202 N THR A 14 -7.007 1.423 8.450 1.00 0.00 N ATOM 1203 CA THR A 14 -5.588 1.367 8.006 1.00 0.00 C ATOM 1204 C THR A 14 -5.532 1.886 6.574 1.00 0.00 C ATOM 1205 O THR A 14 -6.236 1.410 5.705 1.00 0.00 O ATOM 1206 CB THR A 14 -5.098 -0.080 8.050 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.000 -0.911 7.334 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.017 -0.539 9.506 1.00 0.00 C ATOM 0 H THR A 14 -7.595 0.674 8.085 1.00 0.00 H new ATOM 0 HA THR A 14 -4.955 1.971 8.656 1.00 0.00 H new ATOM 0 HB THR A 14 -4.111 -0.147 7.592 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.149 -1.740 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.668 -1.571 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.321 0.099 10.051 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.004 -0.473 9.964 1.00 0.00 H new ATOM 1216 N THR A 15 -4.712 2.868 6.320 1.00 0.00 N ATOM 1217 CA THR A 15 -4.627 3.432 4.943 1.00 0.00 C ATOM 1218 C THR A 15 -3.208 3.921 4.688 1.00 0.00 C ATOM 1219 O THR A 15 -2.509 4.318 5.599 1.00 0.00 O ATOM 1220 CB THR A 15 -5.567 4.635 4.836 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.924 5.776 5.388 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.847 4.365 5.619 1.00 0.00 C ATOM 0 H THR A 15 -4.097 3.305 7.006 1.00 0.00 H new ATOM 0 HA THR A 15 -4.902 2.664 4.220 1.00 0.00 H new ATOM 0 HB THR A 15 -5.812 4.808 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.530 6.221 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.511 5.225 5.538 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.343 3.484 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.603 4.192 6.667 1.00 0.00 H new ATOM 1230 N THR A 16 -2.775 3.929 3.460 1.00 0.00 N ATOM 1231 CA THR A 16 -1.410 4.434 3.182 1.00 0.00 C ATOM 1232 C THR A 16 -1.439 5.960 3.307 1.00 0.00 C ATOM 1233 O THR A 16 -0.538 6.569 3.848 1.00 0.00 O ATOM 1234 CB THR A 16 -0.979 4.038 1.766 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.802 4.708 0.821 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.105 2.519 1.564 1.00 0.00 C ATOM 0 H THR A 16 -3.302 3.611 2.647 1.00 0.00 H new ATOM 0 HA THR A 16 -0.699 4.005 3.889 1.00 0.00 H new ATOM 0 HB THR A 16 0.063 4.323 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.528 4.459 -0.086 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.794 2.259 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.469 2.002 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.142 2.217 1.714 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.489 6.578 2.819 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.606 8.071 2.915 1.00 0.00 C ATOM 1246 C LEU A 17 -4.084 8.447 3.086 1.00 0.00 C ATOM 1247 O LEU A 17 -4.942 7.949 2.385 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.034 8.733 1.644 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.437 10.116 1.967 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.223 9.985 2.922 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.013 10.802 0.649 1.00 0.00 C ATOM 0 H LEU A 17 -3.271 6.114 2.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.037 8.426 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.266 8.093 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.821 8.837 0.897 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.191 10.722 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.181 10.975 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.541 9.515 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.546 9.373 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.589 11.782 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.267 10.189 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.884 10.920 0.004 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.399 9.313 4.013 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.821 9.696 4.210 1.00 0.00 C ATOM 1265 C TRP A 18 -6.242 10.718 3.156 1.00 0.00 C ATOM 1266 O TRP A 18 -5.640 11.763 3.001 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.983 10.305 5.609 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.020 9.196 6.608 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.049 8.914 7.503 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.063 8.201 6.802 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.434 7.805 8.237 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.669 7.333 7.844 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.305 7.972 6.182 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.474 6.273 8.257 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.120 6.905 6.594 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.704 6.057 7.630 1.00 0.00 C ATOM 0 H TRP A 18 -3.734 9.768 4.638 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.451 8.812 4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.157 10.982 5.825 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.899 10.893 5.662 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.126 9.462 7.626 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.872 7.387 8.979 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.634 8.621 5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.149 5.623 9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.071 6.737 6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.334 5.237 7.943 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.283 10.411 2.439 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.798 11.325 1.380 1.00 0.00 C ATOM 1289 C ARG A 19 -9.195 11.812 1.754 1.00 0.00 C ATOM 1290 O ARG A 19 -10.056 11.021 2.049 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.903 10.521 0.067 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.532 10.446 -0.630 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.232 11.777 -1.337 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.265 11.548 -2.459 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.112 10.974 -2.263 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.678 10.746 -1.055 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.363 10.676 -3.284 1.00 0.00 N ATOM 0 H ARG A 19 -7.812 9.545 2.543 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.130 12.179 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.266 9.515 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.630 10.990 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.754 10.229 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.526 9.630 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.155 12.211 -1.723 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.816 12.491 -0.626 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.516 11.849 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.243 11.018 -0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.774 10.296 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.680 10.892 -4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.459 10.227 -3.139 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.457 13.088 1.735 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.839 13.537 2.063 1.00 0.00 C ATOM 1313 C ARG A 20 -11.673 13.395 0.788 1.00 0.00 C ATOM 1314 O ARG A 20 -11.180 13.604 -0.303 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.834 15.003 2.522 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.220 15.382 3.104 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.227 15.243 4.641 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.288 14.164 5.064 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.940 14.055 6.317 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.417 14.891 7.198 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.118 13.112 6.688 1.00 0.00 N ATOM 0 H ARG A 20 -8.790 13.827 1.512 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.253 12.936 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.061 15.154 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.593 15.655 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.468 16.406 2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.988 14.740 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.937 16.188 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.235 15.015 4.988 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.918 13.511 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.060 15.627 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.147 14.808 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.747 12.459 5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.847 13.028 7.668 1.00 0.00 H new ATOM 1335 N SER A 21 -12.931 13.053 0.902 1.00 0.00 N ATOM 1336 CA SER A 21 -13.775 12.911 -0.328 1.00 0.00 C ATOM 1337 C SER A 21 -14.436 14.267 -0.632 1.00 0.00 C ATOM 1338 O SER A 21 -14.549 15.106 0.235 1.00 0.00 O ATOM 1339 CB SER A 21 -14.835 11.813 -0.109 1.00 0.00 C ATOM 1340 OG SER A 21 -14.452 10.647 -0.828 1.00 0.00 O ATOM 0 H SER A 21 -13.409 12.867 1.784 1.00 0.00 H new ATOM 0 HA SER A 21 -13.160 12.618 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.928 11.586 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.811 12.160 -0.447 1.00 0.00 H new ATOM 0 HG SER A 21 -15.121 9.944 -0.692 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.856 14.485 -1.857 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.501 15.774 -2.242 1.00 0.00 C ATOM 1348 C PRO A 22 -16.632 16.200 -1.286 1.00 0.00 C ATOM 1349 O PRO A 22 -16.994 17.358 -1.222 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.054 15.458 -3.653 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.674 14.006 -4.014 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.713 13.478 -2.946 1.00 0.00 C ATOM 0 HA PRO A 22 -14.804 16.611 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.137 15.582 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.641 16.151 -4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.566 13.382 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.205 13.970 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.988 12.477 -2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.689 13.421 -3.314 1.00 0.00 H new ATOM 1360 N MET A 23 -17.204 15.274 -0.559 1.00 0.00 N ATOM 1361 CA MET A 23 -18.320 15.635 0.371 1.00 0.00 C ATOM 1362 C MET A 23 -17.760 15.929 1.764 1.00 0.00 C ATOM 1363 O MET A 23 -18.460 16.398 2.640 1.00 0.00 O ATOM 1364 CB MET A 23 -19.300 14.461 0.461 1.00 0.00 C ATOM 1365 CG MET A 23 -19.850 14.134 -0.933 1.00 0.00 C ATOM 1366 SD MET A 23 -20.760 15.558 -1.593 1.00 0.00 S ATOM 1367 CE MET A 23 -22.161 15.517 -0.447 1.00 0.00 C ATOM 0 H MET A 23 -16.949 14.287 -0.568 1.00 0.00 H new ATOM 0 HA MET A 23 -18.832 16.520 -0.007 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.798 13.588 0.878 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.119 14.710 1.136 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.031 13.873 -1.604 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.507 13.266 -0.879 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.022 16.003 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.410 14.482 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.896 16.042 0.471 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.505 15.645 1.978 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.891 15.888 3.317 1.00 0.00 C ATOM 1379 C GLY A 24 -15.976 14.606 4.141 1.00 0.00 C ATOM 1380 O GLY A 24 -15.917 14.626 5.354 1.00 0.00 O ATOM 0 H GLY A 24 -15.874 15.253 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.851 16.195 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.410 16.699 3.828 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.115 13.483 3.487 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.206 12.181 4.204 1.00 0.00 C ATOM 1386 C ASP A 25 -14.822 11.496 4.202 1.00 0.00 C ATOM 1387 O ASP A 25 -14.344 11.107 3.156 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.187 11.290 3.439 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.557 11.969 3.393 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.673 13.060 3.928 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.466 11.387 2.826 1.00 0.00 O ATOM 0 H ASP A 25 -16.170 13.414 2.471 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.536 12.339 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.822 11.113 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.267 10.317 3.924 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.167 11.333 5.335 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.828 10.672 5.343 1.00 0.00 C ATOM 1398 C PRO A 26 -12.812 9.349 4.559 1.00 0.00 C ATOM 1399 O PRO A 26 -13.598 8.461 4.818 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.602 10.437 6.847 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.525 11.400 7.607 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.678 11.779 6.667 1.00 0.00 C ATOM 0 HA PRO A 26 -12.054 11.269 4.860 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.825 9.403 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.560 10.616 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.908 10.928 8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.977 12.289 7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.605 11.273 6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.882 12.850 6.686 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.899 9.208 3.622 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.804 7.927 2.838 1.00 0.00 C ATOM 1412 C VAL A 27 -10.350 7.453 2.789 1.00 0.00 C ATOM 1413 O VAL A 27 -9.430 8.226 2.973 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.350 8.099 1.407 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.882 8.061 1.438 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.873 9.423 0.800 1.00 0.00 C ATOM 0 H VAL A 27 -11.217 9.922 3.366 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.415 7.178 3.342 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.976 7.284 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.270 8.183 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.214 7.104 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.253 8.869 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.270 9.524 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.226 10.252 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.784 9.436 0.765 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.132 6.182 2.534 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.736 5.665 2.466 1.00 0.00 C ATOM 1428 C CYS A 28 -8.162 5.959 1.077 1.00 0.00 C ATOM 1429 O CYS A 28 -8.889 6.178 0.129 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.702 4.155 2.790 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.482 3.146 1.490 1.00 0.00 S ATOM 0 H CYS A 28 -10.861 5.487 2.371 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.119 6.167 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.667 3.838 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.211 3.978 3.737 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.449 2.447 2.005 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.865 6.015 0.959 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.250 6.352 -0.358 1.00 0.00 C ATOM 1438 C ASN A 29 -6.841 5.485 -1.474 1.00 0.00 C ATOM 1439 O ASN A 29 -6.990 5.932 -2.593 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.738 6.117 -0.288 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.093 6.569 -1.598 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -3.954 5.791 -2.521 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.699 7.806 -1.722 1.00 0.00 N ATOM 0 H ASN A 29 -6.203 5.842 1.716 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.459 7.399 -0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.311 6.669 0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.531 5.061 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.274 8.121 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.816 8.459 -0.947 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.174 4.259 -1.199 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.745 3.397 -2.275 1.00 0.00 C ATOM 1452 C ALA A 30 -9.138 3.907 -2.692 1.00 0.00 C ATOM 1453 O ALA A 30 -9.385 4.164 -3.853 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.840 1.963 -1.770 1.00 0.00 C ATOM 0 H ALA A 30 -7.078 3.816 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.093 3.434 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.257 1.329 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.846 1.605 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.486 1.928 -0.892 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.055 4.044 -1.763 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.428 4.527 -2.134 1.00 0.00 C ATOM 1462 C CYS A 31 -11.339 5.896 -2.803 1.00 0.00 C ATOM 1463 O CYS A 31 -11.993 6.160 -3.779 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.299 4.684 -0.884 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.769 3.075 -0.227 1.00 0.00 S ATOM 0 H CYS A 31 -9.916 3.845 -0.772 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.865 3.793 -2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.756 5.247 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.193 5.258 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.830 3.137 1.070 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.551 6.775 -2.269 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.453 8.133 -2.866 1.00 0.00 C ATOM 1472 C GLY A 32 -10.187 8.031 -4.366 1.00 0.00 C ATOM 1473 O GLY A 32 -10.820 8.691 -5.166 1.00 0.00 O ATOM 0 H GLY A 32 -9.970 6.616 -1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.377 8.683 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.652 8.693 -2.384 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.245 7.224 -4.753 1.00 0.00 N ATOM 1478 CA LEU A 33 -8.926 7.098 -6.199 1.00 0.00 C ATOM 1479 C LEU A 33 -10.069 6.397 -6.947 1.00 0.00 C ATOM 1480 O LEU A 33 -10.561 6.893 -7.934 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.642 6.282 -6.348 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.490 6.986 -5.610 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.269 6.057 -5.569 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.129 8.312 -6.318 1.00 0.00 C ATOM 0 H LEU A 33 -8.681 6.645 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.795 8.093 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.787 5.280 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.394 6.166 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.803 7.215 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.451 6.554 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.529 5.137 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.958 5.819 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.313 8.799 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.821 8.105 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.999 8.968 -6.327 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.507 5.258 -6.494 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.620 4.570 -7.217 1.00 0.00 C ATOM 1498 C TYR A 34 -12.863 5.458 -7.243 1.00 0.00 C ATOM 1499 O TYR A 34 -13.567 5.533 -8.231 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.969 3.250 -6.528 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.133 2.605 -7.257 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -12.998 2.214 -8.596 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.348 2.401 -6.592 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.078 1.624 -9.265 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.426 1.810 -7.261 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.291 1.423 -8.599 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.353 0.838 -9.258 1.00 0.00 O ATOM 0 H TYR A 34 -10.152 4.776 -5.668 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.290 4.372 -8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.106 2.584 -6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.230 3.427 -5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.062 2.368 -9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.454 2.701 -5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.974 1.324 -10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.362 1.653 -6.745 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.119 0.772 -8.650 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.147 6.120 -6.160 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.346 6.995 -6.096 1.00 0.00 C ATOM 1519 C TYR A 35 -14.216 8.135 -7.114 1.00 0.00 C ATOM 1520 O TYR A 35 -15.095 8.382 -7.906 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.425 7.576 -4.678 1.00 0.00 C ATOM 1522 CG TYR A 35 -15.806 8.102 -4.394 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.795 7.240 -3.905 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.089 9.454 -4.589 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.072 7.731 -3.618 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -17.361 9.952 -4.298 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.357 9.090 -3.813 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.615 9.580 -3.524 1.00 0.00 O ATOM 0 H TYR A 35 -12.592 6.091 -5.305 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.245 6.425 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.167 6.807 -3.950 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.695 8.378 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.571 6.195 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.324 10.116 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.837 7.065 -3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -17.578 11.000 -4.446 1.00 0.00 H new ATOM 0 HH TYR A 35 -19.643 10.541 -3.714 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.125 8.836 -7.098 1.00 0.00 N ATOM 1539 CA LYS A 36 -12.957 9.965 -8.056 1.00 0.00 C ATOM 1540 C LYS A 36 -13.034 9.463 -9.498 1.00 0.00 C ATOM 1541 O LYS A 36 -13.623 10.098 -10.351 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.587 10.604 -7.804 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.272 11.662 -8.868 1.00 0.00 C ATOM 1544 CD LYS A 36 -9.918 12.311 -8.554 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.765 11.388 -8.981 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.502 12.178 -9.025 1.00 0.00 N ATOM 0 H LYS A 36 -12.340 8.680 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.754 10.694 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.571 11.062 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.815 9.834 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.248 11.204 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.055 12.420 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.837 13.267 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.848 12.520 -7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.667 10.559 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.972 10.955 -9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.716 11.561 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.602 12.954 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.305 12.571 -8.082 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.444 8.346 -9.788 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.487 7.835 -11.183 1.00 0.00 C ATOM 1562 C LEU A 37 -13.948 7.619 -11.578 1.00 0.00 C ATOM 1563 O LEU A 37 -14.384 8.056 -12.624 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.702 6.515 -11.248 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.209 6.766 -11.574 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.655 7.988 -10.804 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.404 5.516 -11.193 1.00 0.00 C ATOM 0 H LEU A 37 -11.934 7.763 -9.124 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.036 8.546 -11.875 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.786 5.992 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.139 5.866 -12.007 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.118 6.974 -12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.605 8.133 -11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.221 8.878 -11.079 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.748 7.815 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.350 5.680 -11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.521 5.318 -10.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.768 4.661 -11.763 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.713 6.976 -10.736 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.161 6.758 -11.041 1.00 0.00 C ATOM 1581 C HIS A 38 -16.977 7.694 -10.145 1.00 0.00 C ATOM 1582 O HIS A 38 -17.539 8.656 -10.618 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.520 5.302 -10.737 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.600 4.391 -11.502 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -14.320 3.962 -11.249 1.00 0.00 N flip ATOM 1586 CD2 HIS A 38 -15.968 3.801 -12.701 1.00 0.00 C flip ATOM 1587 CE1 HIS A 38 -13.898 3.121 -12.274 1.00 0.00 C flip ATOM 1588 NE2 HIS A 38 -14.928 3.058 -13.122 1.00 0.00 N flip ATOM 0 H HIS A 38 -14.398 6.590 -9.846 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.374 6.965 -12.090 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.433 5.110 -9.668 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.556 5.106 -11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -16.916 3.916 -13.205 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -12.943 2.626 -12.364 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.926 2.513 -13.984 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.029 7.363 -8.863 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.796 8.153 -7.817 1.00 0.00 C ATOM 1598 C GLN A 39 -18.944 7.286 -7.296 1.00 0.00 C ATOM 1599 O GLN A 39 -20.107 7.630 -7.374 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.330 9.486 -8.375 1.00 0.00 C ATOM 1601 CG GLN A 39 -18.911 10.342 -7.248 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.722 11.493 -7.847 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.186 12.545 -8.135 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.003 11.337 -8.045 1.00 0.00 N ATOM 0 H GLN A 39 -16.552 6.545 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.117 8.407 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.526 10.027 -8.873 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.097 9.292 -9.125 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.545 9.733 -6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.108 10.735 -6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.453 10.454 -7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.554 12.098 -8.442 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.596 6.150 -6.754 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.595 5.210 -6.192 1.00 0.00 C ATOM 1615 C VAL A 40 -18.935 4.488 -5.017 1.00 0.00 C ATOM 1616 O VAL A 40 -17.726 4.453 -4.911 1.00 0.00 O ATOM 1617 CB VAL A 40 -19.988 4.188 -7.255 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.908 4.833 -8.295 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.726 3.673 -7.945 1.00 0.00 C ATOM 0 H VAL A 40 -17.630 5.830 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.488 5.745 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.517 3.362 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.181 4.093 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.809 5.202 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.390 5.664 -8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.000 2.942 -8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.202 4.506 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.075 3.203 -7.208 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.696 3.911 -4.128 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.061 3.203 -2.973 1.00 0.00 C ATOM 1631 C ASN A 41 -18.704 1.769 -3.384 1.00 0.00 C ATOM 1632 O ASN A 41 -19.517 1.045 -3.924 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.022 3.175 -1.781 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.283 2.392 -2.144 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.253 1.182 -2.250 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.398 3.038 -2.346 1.00 0.00 N ATOM 0 H ASN A 41 -20.716 3.897 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.154 3.734 -2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.534 2.716 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.286 4.192 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.246 2.527 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.422 4.054 -2.257 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.482 1.365 -3.147 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.038 -0.013 -3.529 1.00 0.00 C ATOM 1645 C ARG A 42 -17.249 -0.973 -2.332 1.00 0.00 C ATOM 1646 O ARG A 42 -16.831 -0.663 -1.234 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.541 0.055 -3.869 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.019 -1.303 -4.381 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.235 -1.409 -5.895 1.00 0.00 C ATOM 1650 NE ARG A 42 -15.120 -2.832 -6.319 1.00 0.00 N ATOM 1651 CZ ARG A 42 -15.542 -3.191 -7.499 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -16.055 -2.298 -8.301 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -15.448 -4.435 -7.880 1.00 0.00 N ATOM 0 H ARG A 42 -16.764 1.936 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.610 -0.378 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.373 0.820 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.978 0.353 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.959 -1.406 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.537 -2.116 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.217 -1.019 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.498 -0.802 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.713 -3.523 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.124 -1.325 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.387 -2.573 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.043 -5.131 -7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.779 -4.712 -8.804 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.879 -2.128 -2.509 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.082 -3.060 -1.360 1.00 0.00 C ATOM 1669 C PRO A 43 -16.803 -3.267 -0.523 1.00 0.00 C ATOM 1670 O PRO A 43 -15.698 -3.177 -1.020 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.522 -4.362 -2.056 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.888 -4.029 -3.517 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.430 -2.590 -3.823 1.00 0.00 C ATOM 0 HA PRO A 43 -18.805 -2.682 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.720 -5.100 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.377 -4.798 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.407 -4.732 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.963 -4.124 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.675 -2.565 -4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.258 -1.965 -4.156 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.963 -3.536 0.747 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.784 -3.743 1.642 1.00 0.00 C ATOM 1683 C LEU A 44 -15.000 -4.981 1.223 1.00 0.00 C ATOM 1684 O LEU A 44 -13.806 -5.060 1.421 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.267 -3.920 3.085 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.641 -2.558 3.667 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.923 -2.027 3.005 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.851 -2.695 5.179 1.00 0.00 C ATOM 0 H LEU A 44 -17.869 -3.622 1.207 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.133 -2.872 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.128 -4.588 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.485 -4.383 3.687 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.834 -1.852 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.177 -1.056 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.762 -1.922 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.741 -2.726 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.118 -1.725 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.653 -3.407 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.931 -3.050 5.643 1.00 0.00 H new ATOM 1700 N THR A 45 -15.645 -5.957 0.664 1.00 0.00 N ATOM 1701 CA THR A 45 -14.905 -7.181 0.253 1.00 0.00 C ATOM 1702 C THR A 45 -13.634 -6.779 -0.509 1.00 0.00 C ATOM 1703 O THR A 45 -12.744 -7.579 -0.720 1.00 0.00 O ATOM 1704 CB THR A 45 -15.802 -8.034 -0.646 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.234 -7.257 -1.756 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.020 -8.508 0.152 1.00 0.00 C ATOM 0 H THR A 45 -16.647 -5.965 0.473 1.00 0.00 H new ATOM 0 HA THR A 45 -14.625 -7.756 1.136 1.00 0.00 H new ATOM 0 HB THR A 45 -15.244 -8.899 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.807 -7.803 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.660 -9.116 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.688 -9.102 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.580 -7.644 0.509 1.00 0.00 H new ATOM 1714 N MET A 46 -13.557 -5.543 -0.939 1.00 0.00 N ATOM 1715 CA MET A 46 -12.352 -5.091 -1.705 1.00 0.00 C ATOM 1716 C MET A 46 -11.196 -4.760 -0.749 1.00 0.00 C ATOM 1717 O MET A 46 -10.059 -5.114 -0.994 1.00 0.00 O ATOM 1718 CB MET A 46 -12.717 -3.843 -2.519 1.00 0.00 C ATOM 1719 CG MET A 46 -11.525 -3.398 -3.382 1.00 0.00 C ATOM 1720 SD MET A 46 -11.156 -4.669 -4.619 1.00 0.00 S ATOM 1721 CE MET A 46 -10.062 -3.669 -5.663 1.00 0.00 C ATOM 0 H MET A 46 -14.272 -4.830 -0.794 1.00 0.00 H new ATOM 0 HA MET A 46 -12.032 -5.893 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.576 -4.055 -3.156 1.00 0.00 H new ATOM 0 HB3 MET A 46 -13.009 -3.036 -1.847 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.754 -2.453 -3.875 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.652 -3.226 -2.752 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.712 -4.269 -6.503 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.608 -2.803 -6.038 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.207 -3.332 -5.077 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.473 -4.071 0.324 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.381 -3.697 1.279 1.00 0.00 C ATOM 1733 C ARG A 47 -10.032 -4.869 2.194 1.00 0.00 C ATOM 1734 O ARG A 47 -10.678 -5.899 2.183 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.785 -2.475 2.111 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.159 -2.684 2.760 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.083 -3.665 3.944 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.504 -5.025 3.505 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.268 -6.052 4.275 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.687 -5.876 5.431 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.617 -7.252 3.897 1.00 0.00 N ATOM 0 H ARG A 47 -12.405 -3.749 0.584 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.497 -3.443 0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.038 -2.293 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.809 -1.590 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.549 -1.726 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.859 -3.064 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.066 -3.698 4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.725 -3.320 4.755 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.974 -5.153 2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.419 -4.938 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.501 -6.676 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.076 -7.390 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.431 -8.052 4.502 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.986 -4.722 2.966 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.541 -5.820 3.876 1.00 0.00 C ATOM 1757 C LYS A 48 -8.150 -5.224 5.232 1.00 0.00 C ATOM 1758 O LYS A 48 -7.878 -4.045 5.345 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.331 -6.508 3.239 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.996 -7.799 3.989 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.780 -8.468 3.331 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.122 -8.915 1.900 1.00 0.00 C ATOM 1763 NZ LYS A 48 -5.243 -10.055 1.515 1.00 0.00 N ATOM 0 H LYS A 48 -8.415 -3.878 3.005 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.343 -6.543 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.541 -6.731 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.472 -5.837 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.783 -7.580 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.851 -8.475 3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.941 -7.772 3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.466 -9.328 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.169 -9.212 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.986 -8.086 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.473 -10.359 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.248 -9.756 1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.394 -10.847 2.172 1.00 0.00 H new ATOM 1777 N ASP A 49 -8.130 -6.030 6.260 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.768 -5.522 7.619 1.00 0.00 C ATOM 1779 C ASP A 49 -6.557 -4.582 7.529 1.00 0.00 C ATOM 1780 O ASP A 49 -6.696 -3.376 7.491 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.423 -6.720 8.517 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.709 -7.364 9.042 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.300 -6.802 9.950 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -9.079 -8.406 8.529 1.00 0.00 O ATOM 0 H ASP A 49 -8.350 -7.025 6.218 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.609 -4.969 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.842 -7.452 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.802 -6.394 9.351 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.372 -5.128 7.506 1.00 0.00 N ATOM 1790 CA GLY A 50 -4.152 -4.272 7.431 1.00 0.00 C ATOM 1791 C GLY A 50 -3.999 -3.713 6.014 1.00 0.00 C ATOM 1792 O GLY A 50 -4.876 -3.853 5.185 1.00 0.00 O ATOM 0 H GLY A 50 -5.195 -6.132 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.225 -3.455 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.271 -4.854 7.700 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.889 -3.080 5.726 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.677 -2.515 4.363 1.00 0.00 C ATOM 1798 C ILE A 51 -2.032 -3.566 3.461 1.00 0.00 C ATOM 1799 O ILE A 51 -1.163 -4.311 3.871 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.761 -1.294 4.448 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.335 -0.316 5.479 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.682 -0.616 3.070 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.646 1.044 5.353 1.00 0.00 C ATOM 0 H ILE A 51 -2.120 -2.931 6.380 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.641 -2.221 3.947 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.759 -1.598 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.409 -0.204 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.195 -0.712 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.029 0.255 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.282 -1.320 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.679 -0.301 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.061 1.732 6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.576 0.928 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.809 1.443 4.352 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.435 -3.604 2.225 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.833 -4.573 1.271 1.00 0.00 C ATOM 1817 C GLN A 52 -0.489 -4.002 0.816 1.00 0.00 C ATOM 1818 O GLN A 52 -0.257 -2.816 0.919 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.762 -4.746 0.067 1.00 0.00 C ATOM 1820 CG GLN A 52 -4.020 -5.499 0.501 1.00 0.00 C ATOM 1821 CD GLN A 52 -5.027 -5.507 -0.648 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.191 -6.507 -1.320 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.711 -4.426 -0.907 1.00 0.00 N ATOM 0 H GLN A 52 -3.159 -3.003 1.832 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.691 -5.545 1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.031 -3.772 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.251 -5.294 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.766 -6.521 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.457 -5.024 1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.573 -3.588 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.384 -4.420 -1.674 1.00 0.00 H new ATOM 1832 N THR A 53 0.424 -4.828 0.368 1.00 0.00 N ATOM 1833 CA THR A 53 1.765 -4.296 -0.043 1.00 0.00 C ATOM 1834 C THR A 53 2.316 -5.034 -1.269 1.00 0.00 C ATOM 1835 O THR A 53 1.911 -6.129 -1.604 1.00 0.00 O ATOM 1836 CB THR A 53 2.748 -4.437 1.126 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.071 -4.530 0.621 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.416 -5.693 1.928 1.00 0.00 C ATOM 0 H THR A 53 0.304 -5.836 0.269 1.00 0.00 H new ATOM 0 HA THR A 53 1.645 -3.246 -0.311 1.00 0.00 H new ATOM 0 HB THR A 53 2.667 -3.565 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.700 -4.618 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.116 -5.790 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.400 -5.619 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.494 -6.568 1.283 1.00 0.00 H new ATOM 1846 N ARG A 54 3.253 -4.405 -1.924 1.00 0.00 N ATOM 1847 CA ARG A 54 3.897 -4.992 -3.139 1.00 0.00 C ATOM 1848 C ARG A 54 5.338 -4.483 -3.234 1.00 0.00 C ATOM 1849 O ARG A 54 5.744 -3.594 -2.512 1.00 0.00 O ATOM 1850 CB ARG A 54 3.096 -4.593 -4.406 1.00 0.00 C ATOM 1851 CG ARG A 54 2.183 -5.751 -4.859 1.00 0.00 C ATOM 1852 CD ARG A 54 2.999 -6.753 -5.692 1.00 0.00 C ATOM 1853 NE ARG A 54 2.157 -7.951 -6.031 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.668 -8.732 -5.108 1.00 0.00 C ATOM 1855 NH1 ARG A 54 2.007 -8.571 -3.857 1.00 0.00 N ATOM 1856 NH2 ARG A 54 0.867 -9.708 -5.438 1.00 0.00 N ATOM 0 H ARG A 54 3.609 -3.486 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 54 3.904 -6.080 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.494 -3.708 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.784 -4.329 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.753 -6.250 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.352 -5.364 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.351 -6.276 -6.607 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.883 -7.066 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 54 1.963 -8.159 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.658 -7.831 -3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.620 -9.186 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.624 -9.859 -6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.484 -10.319 -4.717 1.00 0.00 H new ATOM 1870 N ASN A 55 6.115 -5.043 -4.121 1.00 0.00 N ATOM 1871 CA ASN A 55 7.524 -4.586 -4.250 1.00 0.00 C ATOM 1872 C ASN A 55 7.522 -3.090 -4.548 1.00 0.00 C ATOM 1873 O ASN A 55 6.666 -2.576 -5.240 1.00 0.00 O ATOM 1874 CB ASN A 55 8.231 -5.343 -5.376 1.00 0.00 C ATOM 1875 CG ASN A 55 8.402 -6.813 -4.988 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.347 -7.158 -3.730 1.00 0.00 O flip ATOM 1877 ND2 ASN A 55 8.586 -7.659 -5.840 1.00 0.00 N flip ATOM 0 H ASN A 55 5.836 -5.791 -4.756 1.00 0.00 H new ATOM 0 HA ASN A 55 8.059 -4.782 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.653 -5.266 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.205 -4.894 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.629 -7.392 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.697 -8.637 -5.572 1.00 0.00 H new ATOM 1884 N ARG A 56 8.463 -2.387 -3.985 1.00 0.00 N ATOM 1885 CA ARG A 56 8.522 -0.912 -4.179 1.00 0.00 C ATOM 1886 C ARG A 56 8.790 -0.568 -5.644 1.00 0.00 C ATOM 1887 O ARG A 56 9.742 -1.028 -6.243 1.00 0.00 O ATOM 1888 CB ARG A 56 9.647 -0.337 -3.313 1.00 0.00 C ATOM 1889 CG ARG A 56 9.663 1.189 -3.431 1.00 0.00 C ATOM 1890 CD ARG A 56 10.784 1.758 -2.568 1.00 0.00 C ATOM 1891 NE ARG A 56 10.567 1.379 -1.144 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.547 1.482 -0.288 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.714 1.915 -0.681 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.359 1.154 0.961 1.00 0.00 N ATOM 0 H ARG A 56 9.199 -2.773 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 56 7.563 -0.482 -3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.503 -0.629 -2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.607 -0.746 -3.629 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.807 1.482 -4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.704 1.598 -3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.747 1.380 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.814 2.843 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 56 9.655 1.040 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.860 2.173 -1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.480 1.996 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.446 0.817 1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.125 1.234 1.630 1.00 0.00 H new ATOM 1908 N LYS A 57 7.951 0.248 -6.218 1.00 0.00 N ATOM 1909 CA LYS A 57 8.135 0.643 -7.639 1.00 0.00 C ATOM 1910 C LYS A 57 9.517 1.271 -7.814 1.00 0.00 C ATOM 1911 O LYS A 57 9.983 2.023 -6.982 1.00 0.00 O ATOM 1912 CB LYS A 57 7.061 1.671 -8.011 1.00 0.00 C ATOM 1913 CG LYS A 57 7.230 2.095 -9.472 1.00 0.00 C ATOM 1914 CD LYS A 57 6.016 2.924 -9.908 1.00 0.00 C ATOM 1915 CE LYS A 57 6.021 4.285 -9.198 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.117 5.225 -9.923 1.00 0.00 N ATOM 0 H LYS A 57 7.139 0.661 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 57 8.049 -0.233 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.069 1.245 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.137 2.541 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.143 2.679 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.330 1.215 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.034 3.069 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.097 2.387 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.692 4.170 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.033 4.688 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.119 6.148 -9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.450 5.342 -10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.151 4.841 -9.930 1.00 0.00 H new ATOM 1930 N VAL A 58 10.171 0.962 -8.894 1.00 0.00 N ATOM 1931 CA VAL A 58 11.521 1.529 -9.146 1.00 0.00 C ATOM 1932 C VAL A 58 11.490 3.044 -8.936 1.00 0.00 C ATOM 1933 O VAL A 58 10.442 3.637 -8.780 1.00 0.00 O ATOM 1934 CB VAL A 58 11.926 1.205 -10.580 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.133 -0.303 -10.715 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.815 1.653 -11.534 1.00 0.00 C ATOM 0 H VAL A 58 9.825 0.335 -9.620 1.00 0.00 H new ATOM 0 HA VAL A 58 12.245 1.097 -8.455 1.00 0.00 H new ATOM 0 HB VAL A 58 12.851 1.726 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.423 -0.540 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.919 -0.625 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.205 -0.821 -10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.102 1.423 -12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.891 1.129 -11.289 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.660 2.727 -11.433 1.00 0.00 H new