USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=21 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 48 LYS NZ :NH3+ 168:sc= 1.08 (180deg=-0.55) USER MOD Set 1.2: A 52 GLN : amide:sc= 0.917 K(o=2,f=-5.4!) USER MOD Set 2.1: A 7 CYS SG : rot 156:sc= 0.406 USER MOD Set 2.2: A 10 CYS SG : rot -50:sc= -1.4 USER MOD Set 2.3: A 28 CYS SG : rot -121:sc= 0.668 USER MOD Set 2.4: A 31 CYS SG : rot 149:sc= -0.0317 USER MOD Set 3.1: A 12 THR OG1 : rot -115:sc= 0.164 USER MOD Set 3.2: A 14 THR OG1 : rot -178:sc= 0.999 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 76:sc= 1.1 USER MOD Single : A 9 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3!) USER MOD Single : A 11 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.21) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -138:sc= 0.643 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 21 SER OG : rot -140:sc= -0.295 USER MOD Single : A 23 MET CE :methyl -152:sc= -1.37 (180deg=-3.36!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.751 F(o=-3.5!,f=-0.75) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0571 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= -0.252 X(o=-0.25,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0861 K(o=-0.086,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= -0.521 K(o=-0.52,f=-6.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -127:sc=-0.00896 (180deg=-0.286) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.00458) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.791 11.100 14.701 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.251 10.415 15.940 1.00 0.00 C ATOM 1070 C ALA A 3 -8.698 9.955 15.759 1.00 0.00 C ATOM 1071 O ALA A 3 -9.625 10.732 15.868 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.156 11.378 17.126 1.00 0.00 C ATOM 0 HA ALA A 3 -6.619 9.548 16.133 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.493 10.874 18.032 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.122 11.698 17.253 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.785 12.248 16.939 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.898 8.686 15.493 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.285 8.156 15.311 1.00 0.00 C ATOM 1080 C GLY A 4 -10.674 8.152 13.826 1.00 0.00 C ATOM 1081 O GLY A 4 -11.787 7.813 13.477 1.00 0.00 O ATOM 0 H GLY A 4 -8.157 7.993 15.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.348 7.144 15.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.990 8.767 15.875 1.00 0.00 H new ATOM 1085 N THR A 5 -9.785 8.538 12.945 1.00 0.00 N ATOM 1086 CA THR A 5 -10.156 8.559 11.495 1.00 0.00 C ATOM 1087 C THR A 5 -10.472 7.150 10.994 1.00 0.00 C ATOM 1088 O THR A 5 -9.630 6.274 10.998 1.00 0.00 O ATOM 1089 CB THR A 5 -9.010 9.105 10.646 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.520 10.305 11.210 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.518 9.383 9.225 1.00 0.00 C ATOM 0 H THR A 5 -8.833 8.835 13.161 1.00 0.00 H new ATOM 0 HA THR A 5 -11.033 9.200 11.401 1.00 0.00 H new ATOM 0 HB THR A 5 -8.206 8.369 10.614 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.784 10.648 10.661 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.702 9.773 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.890 8.458 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.324 10.116 9.264 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.669 6.954 10.514 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.073 5.635 9.938 1.00 0.00 C ATOM 1101 C VAL A 6 -12.481 5.907 8.494 1.00 0.00 C ATOM 1102 O VAL A 6 -13.075 6.927 8.204 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.262 5.047 10.706 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.819 4.641 12.112 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.377 6.090 10.798 1.00 0.00 C ATOM 0 H VAL A 6 -12.400 7.665 10.495 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.254 4.918 10.002 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.632 4.167 10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.667 4.224 12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.029 3.893 12.043 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.444 5.516 12.642 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.222 5.672 11.344 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.008 6.972 11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.696 6.371 9.794 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.172 5.042 7.577 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.557 5.313 6.166 1.00 0.00 C ATOM 1117 C CYS A 7 -14.071 5.339 6.028 1.00 0.00 C ATOM 1118 O CYS A 7 -14.751 4.361 6.254 1.00 0.00 O ATOM 1119 CB CYS A 7 -11.988 4.225 5.274 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.441 4.564 3.555 1.00 0.00 S ATOM 0 H CYS A 7 -11.674 4.166 7.738 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.159 6.283 5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -10.903 4.186 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.372 3.251 5.578 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.591 3.984 2.760 1.00 0.00 H new ATOM 1125 N SER A 8 -14.602 6.460 5.653 1.00 0.00 N ATOM 1126 CA SER A 8 -16.070 6.568 5.491 1.00 0.00 C ATOM 1127 C SER A 8 -16.566 5.575 4.444 1.00 0.00 C ATOM 1128 O SER A 8 -17.624 4.994 4.586 1.00 0.00 O ATOM 1129 CB SER A 8 -16.420 7.974 5.021 1.00 0.00 C ATOM 1130 OG SER A 8 -16.050 8.914 6.020 1.00 0.00 O ATOM 0 H SER A 8 -14.079 7.312 5.450 1.00 0.00 H new ATOM 0 HA SER A 8 -16.542 6.352 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.902 8.196 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.488 8.045 4.817 1.00 0.00 H new ATOM 0 HG SER A 8 -15.079 9.045 6.002 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.841 5.401 3.365 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.335 4.476 2.310 1.00 0.00 C ATOM 1138 C ASN A 9 -16.164 3.005 2.703 1.00 0.00 C ATOM 1139 O ASN A 9 -17.025 2.204 2.394 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.582 4.755 1.002 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.108 6.048 0.370 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.187 6.503 0.696 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.393 6.655 -0.538 1.00 0.00 N ATOM 0 H ASN A 9 -14.946 5.852 3.175 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.402 4.655 2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.513 4.843 1.198 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.712 3.922 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.740 7.510 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.487 6.274 -0.813 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.077 2.607 3.354 1.00 0.00 N ATOM 1151 CA CYS A 10 -14.925 1.146 3.704 1.00 0.00 C ATOM 1152 C CYS A 10 -14.547 0.937 5.179 1.00 0.00 C ATOM 1153 O CYS A 10 -14.218 -0.161 5.578 1.00 0.00 O ATOM 1154 CB CYS A 10 -13.897 0.472 2.776 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.197 0.876 3.266 1.00 0.00 S ATOM 0 H CYS A 10 -14.312 3.213 3.649 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.897 0.675 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.037 -0.609 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.067 0.793 1.748 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.083 2.162 3.418 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.642 1.953 6.000 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.356 1.804 7.467 1.00 0.00 C ATOM 1162 C GLN A 11 -12.937 1.318 7.783 1.00 0.00 C ATOM 1163 O GLN A 11 -12.603 1.155 8.941 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.369 0.842 8.101 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.764 1.474 8.074 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.817 2.661 9.041 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.121 3.768 8.644 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -16.534 2.475 10.300 1.00 0.00 N ATOM 0 H GLN A 11 -14.909 2.895 5.715 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.445 2.805 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.376 -0.103 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.080 0.618 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.003 1.806 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.514 0.733 8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.279 1.545 10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.568 3.259 10.952 1.00 0.00 H new ATOM 1177 N THR A 12 -12.080 1.097 6.825 1.00 0.00 N ATOM 1178 CA THR A 12 -10.712 0.647 7.215 1.00 0.00 C ATOM 1179 C THR A 12 -10.090 1.743 8.084 1.00 0.00 C ATOM 1180 O THR A 12 -10.311 2.913 7.845 1.00 0.00 O ATOM 1181 CB THR A 12 -9.836 0.393 5.974 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.585 -0.138 6.391 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.595 1.689 5.198 1.00 0.00 C ATOM 0 H THR A 12 -12.255 1.203 5.826 1.00 0.00 H new ATOM 0 HA THR A 12 -10.776 -0.292 7.765 1.00 0.00 H new ATOM 0 HB THR A 12 -10.353 -0.311 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.871 0.498 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.974 1.481 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.550 2.101 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.089 2.409 5.841 1.00 0.00 H new ATOM 1191 N SER A 13 -9.299 1.383 9.073 1.00 0.00 N ATOM 1192 CA SER A 13 -8.644 2.431 9.938 1.00 0.00 C ATOM 1193 C SER A 13 -7.155 2.461 9.593 1.00 0.00 C ATOM 1194 O SER A 13 -6.401 3.285 10.071 1.00 0.00 O ATOM 1195 CB SER A 13 -8.872 2.124 11.419 1.00 0.00 C ATOM 1196 OG SER A 13 -10.247 1.820 11.624 1.00 0.00 O ATOM 0 H SER A 13 -9.078 0.418 9.319 1.00 0.00 H new ATOM 0 HA SER A 13 -9.081 3.411 9.749 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.251 1.284 11.729 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.580 2.979 12.030 1.00 0.00 H new ATOM 0 HG SER A 13 -10.400 1.620 12.571 1.00 0.00 H new ATOM 1202 N THR A 14 -6.751 1.577 8.717 1.00 0.00 N ATOM 1203 CA THR A 14 -5.332 1.530 8.252 1.00 0.00 C ATOM 1204 C THR A 14 -5.313 2.081 6.828 1.00 0.00 C ATOM 1205 O THR A 14 -5.988 1.571 5.958 1.00 0.00 O ATOM 1206 CB THR A 14 -4.839 0.080 8.241 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.852 -0.759 7.706 1.00 0.00 O ATOM 1208 CG2 THR A 14 -4.508 -0.363 9.668 1.00 0.00 C ATOM 0 H THR A 14 -7.357 0.872 8.297 1.00 0.00 H new ATOM 0 HA THR A 14 -4.687 2.111 8.911 1.00 0.00 H new ATOM 0 HB THR A 14 -3.943 0.007 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.552 -1.692 7.732 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.158 -1.395 9.657 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.729 0.280 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.401 -0.290 10.288 1.00 0.00 H new ATOM 1216 N THR A 15 -4.566 3.126 6.578 1.00 0.00 N ATOM 1217 CA THR A 15 -4.540 3.713 5.201 1.00 0.00 C ATOM 1218 C THR A 15 -3.143 4.231 4.878 1.00 0.00 C ATOM 1219 O THR A 15 -2.430 4.689 5.746 1.00 0.00 O ATOM 1220 CB THR A 15 -5.506 4.897 5.161 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.878 6.027 5.753 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.764 4.562 5.949 1.00 0.00 C ATOM 0 H THR A 15 -3.975 3.597 7.263 1.00 0.00 H new ATOM 0 HA THR A 15 -4.823 2.948 4.478 1.00 0.00 H new ATOM 0 HB THR A 15 -5.772 5.112 4.126 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.522 6.499 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.449 5.409 5.918 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.246 3.688 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.499 4.348 6.984 1.00 0.00 H new ATOM 1230 N THR A 16 -2.748 4.196 3.634 1.00 0.00 N ATOM 1231 CA THR A 16 -1.404 4.728 3.295 1.00 0.00 C ATOM 1232 C THR A 16 -1.482 6.254 3.361 1.00 0.00 C ATOM 1233 O THR A 16 -0.613 6.907 3.906 1.00 0.00 O ATOM 1234 CB THR A 16 -0.980 4.280 1.890 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.776 4.945 0.919 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.143 2.760 1.733 1.00 0.00 C ATOM 0 H THR A 16 -3.290 3.828 2.852 1.00 0.00 H new ATOM 0 HA THR A 16 -0.662 4.349 3.998 1.00 0.00 H new ATOM 0 HB THR A 16 0.070 4.535 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.504 4.660 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.837 2.463 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.521 2.249 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.187 2.488 1.889 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.542 6.829 2.847 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.705 8.317 2.922 1.00 0.00 C ATOM 1246 C LEU A 17 -4.186 8.638 3.133 1.00 0.00 C ATOM 1247 O LEU A 17 -5.041 8.138 2.430 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.197 8.995 1.630 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.739 10.438 1.916 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.553 10.453 2.915 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.333 11.112 0.583 1.00 0.00 C ATOM 0 H LEU A 17 -3.301 6.334 2.379 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.115 8.700 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.369 8.421 1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.989 9.001 0.881 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.561 10.992 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.247 11.483 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.861 9.991 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.284 9.896 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.007 12.134 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.517 10.552 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.188 11.125 -0.093 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.506 9.473 4.085 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.932 9.820 4.315 1.00 0.00 C ATOM 1265 C TRP A 18 -6.374 10.822 3.247 1.00 0.00 C ATOM 1266 O TRP A 18 -5.745 11.840 3.039 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.070 10.465 5.702 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.069 9.401 6.759 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.101 9.225 7.689 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.065 8.365 7.006 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.437 8.142 8.482 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.636 7.582 8.104 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.284 8.030 6.392 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.388 6.507 8.577 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.044 6.947 6.867 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.596 6.188 7.955 1.00 0.00 C ATOM 0 H TRP A 18 -3.841 9.927 4.711 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.551 8.924 4.262 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.249 11.161 5.873 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.993 11.042 5.755 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.213 9.830 7.795 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.865 7.800 9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.639 8.607 5.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.038 5.926 9.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.980 6.699 6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.185 5.356 8.313 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.453 10.534 2.568 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.964 11.448 1.502 1.00 0.00 C ATOM 1289 C ARG A 19 -9.330 12.009 1.906 1.00 0.00 C ATOM 1290 O ARG A 19 -10.265 11.269 2.096 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.127 10.633 0.200 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.774 10.514 -0.540 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.483 11.810 -1.321 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.540 11.550 -2.469 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.382 10.948 -2.315 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.928 10.644 -1.134 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.646 10.696 -3.363 1.00 0.00 N ATOM 0 H ARG A 19 -8.011 9.692 2.709 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.265 12.272 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.509 9.639 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.861 11.114 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.974 10.324 0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.798 9.665 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.416 12.228 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.050 12.553 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.812 11.854 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.474 10.873 -0.303 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.026 10.177 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.971 10.966 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.746 10.229 -3.254 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.482 13.296 2.016 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.829 13.820 2.367 1.00 0.00 C ATOM 1313 C ARG A 20 -11.707 13.619 1.128 1.00 0.00 C ATOM 1314 O ARG A 20 -11.242 13.747 0.011 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.743 15.309 2.724 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.049 15.771 3.404 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.982 15.493 4.914 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.268 15.906 5.574 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.707 17.136 5.528 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.976 18.085 5.016 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.871 17.428 6.043 1.00 0.00 N ATOM 0 H ARG A 20 -8.751 13.995 1.882 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.243 13.301 3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.897 15.483 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.566 15.897 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.203 16.836 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.900 15.249 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.799 14.433 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.147 16.037 5.355 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.815 15.204 6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.050 17.872 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.330 19.041 4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.434 16.697 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.218 18.387 6.009 1.00 0.00 H new ATOM 1335 N SER A 21 -12.959 13.287 1.298 1.00 0.00 N ATOM 1336 CA SER A 21 -13.836 13.060 0.101 1.00 0.00 C ATOM 1337 C SER A 21 -14.490 14.387 -0.322 1.00 0.00 C ATOM 1338 O SER A 21 -14.682 15.263 0.492 1.00 0.00 O ATOM 1339 CB SER A 21 -14.905 12.023 0.456 1.00 0.00 C ATOM 1340 OG SER A 21 -14.316 10.728 0.466 1.00 0.00 O ATOM 0 H SER A 21 -13.414 13.163 2.203 1.00 0.00 H new ATOM 0 HA SER A 21 -13.240 12.688 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.336 12.247 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.719 12.060 -0.268 1.00 0.00 H new ATOM 0 HG SER A 21 -14.936 10.083 0.066 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.823 14.549 -1.590 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.460 15.812 -2.065 1.00 0.00 C ATOM 1348 C PRO A 22 -16.651 16.242 -1.191 1.00 0.00 C ATOM 1349 O PRO A 22 -17.027 17.396 -1.165 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.928 15.433 -3.490 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.448 14.000 -3.804 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.585 13.508 -2.633 1.00 0.00 C ATOM 0 HA PRO A 22 -14.779 16.663 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.014 15.491 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.524 16.135 -4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.302 13.338 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.873 13.987 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.889 12.518 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.532 13.442 -2.906 1.00 0.00 H new ATOM 1360 N MET A 23 -17.248 15.316 -0.486 1.00 0.00 N ATOM 1361 CA MET A 23 -18.421 15.658 0.376 1.00 0.00 C ATOM 1362 C MET A 23 -17.944 15.984 1.795 1.00 0.00 C ATOM 1363 O MET A 23 -18.676 16.528 2.597 1.00 0.00 O ATOM 1364 CB MET A 23 -19.371 14.458 0.417 1.00 0.00 C ATOM 1365 CG MET A 23 -18.681 13.280 1.109 1.00 0.00 C ATOM 1366 SD MET A 23 -19.715 11.800 0.970 1.00 0.00 S ATOM 1367 CE MET A 23 -21.154 12.434 1.869 1.00 0.00 C ATOM 0 H MET A 23 -16.973 14.334 -0.470 1.00 0.00 H new ATOM 0 HA MET A 23 -18.937 16.527 -0.033 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.284 14.722 0.951 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.663 14.178 -0.595 1.00 0.00 H new ATOM 0 HG2 MET A 23 -17.707 13.099 0.655 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.505 13.515 2.159 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.687 11.605 2.334 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.824 13.130 2.640 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.818 12.949 1.175 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.723 15.647 2.110 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.182 15.921 3.476 1.00 0.00 C ATOM 1379 C GLY A 24 -16.234 14.644 4.317 1.00 0.00 C ATOM 1380 O GLY A 24 -16.243 14.693 5.531 1.00 0.00 O ATOM 0 H GLY A 24 -16.070 15.189 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.155 16.280 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.763 16.708 3.957 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.260 13.495 3.687 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.299 12.207 4.441 1.00 0.00 C ATOM 1386 C ASP A 25 -14.890 11.568 4.411 1.00 0.00 C ATOM 1387 O ASP A 25 -14.406 11.239 3.349 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.272 11.257 3.736 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.710 11.726 3.958 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.883 12.819 4.471 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.614 10.988 3.604 1.00 0.00 O ATOM 0 H ASP A 25 -16.256 13.396 2.672 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.614 12.385 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.052 11.223 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.147 10.244 4.119 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.218 11.383 5.534 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.855 10.766 5.503 1.00 0.00 C ATOM 1398 C PRO A 26 -12.831 9.419 4.745 1.00 0.00 C ATOM 1399 O PRO A 26 -13.678 8.574 4.949 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.542 10.582 7.005 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.581 11.379 7.818 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.740 11.758 6.883 1.00 0.00 C ATOM 0 HA PRO A 26 -12.124 11.376 4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.579 9.526 7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.535 10.933 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.947 10.783 8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.126 12.275 8.241 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.652 11.214 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.977 12.820 6.943 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.849 9.207 3.891 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.758 7.894 3.148 1.00 0.00 C ATOM 1412 C VAL A 27 -10.299 7.434 3.061 1.00 0.00 C ATOM 1413 O VAL A 27 -9.384 8.226 3.181 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.337 8.004 1.726 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.865 8.039 1.792 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.813 9.267 1.033 1.00 0.00 C ATOM 0 H VAL A 27 -11.112 9.878 3.676 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.346 7.165 3.705 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.022 7.135 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.271 8.117 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.230 7.125 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.184 8.900 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.231 9.331 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.109 10.146 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.726 9.224 0.971 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.067 6.158 2.826 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.666 5.666 2.702 1.00 0.00 C ATOM 1428 C CYS A 28 -8.185 5.942 1.269 1.00 0.00 C ATOM 1429 O CYS A 28 -8.977 6.069 0.357 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.576 4.166 3.080 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.370 3.085 1.849 1.00 0.00 S ATOM 0 H CYS A 28 -10.789 5.446 2.716 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.012 6.192 3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.528 3.884 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.046 4.011 4.051 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.317 2.400 2.419 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.902 6.102 1.073 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.383 6.448 -0.289 1.00 0.00 C ATOM 1438 C ASN A 29 -6.940 5.517 -1.373 1.00 0.00 C ATOM 1439 O ASN A 29 -7.124 5.928 -2.502 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.853 6.362 -0.287 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.320 6.728 -1.673 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.019 7.971 -1.936 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -4.168 5.873 -2.522 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.189 6.008 1.796 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.710 7.462 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.441 7.037 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.535 5.355 -0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.403 4.902 -2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.805 6.126 -3.441 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.208 4.282 -1.073 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.746 3.383 -2.136 1.00 0.00 C ATOM 1452 C ALA A 30 -9.187 3.788 -2.500 1.00 0.00 C ATOM 1453 O ALA A 30 -9.514 3.971 -3.655 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.720 1.943 -1.647 1.00 0.00 C ATOM 0 H ALA A 30 -7.082 3.856 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.123 3.474 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.113 1.288 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.694 1.656 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.334 1.852 -0.751 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.055 3.916 -1.524 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.480 4.294 -1.818 1.00 0.00 C ATOM 1462 C CYS A 31 -11.538 5.615 -2.579 1.00 0.00 C ATOM 1463 O CYS A 31 -12.300 5.777 -3.503 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.256 4.499 -0.510 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.696 2.916 0.221 1.00 0.00 S ATOM 0 H CYS A 31 -9.841 3.776 -0.537 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.915 3.488 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.651 5.074 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.158 5.079 -0.703 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.729 3.030 1.516 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.768 6.571 -2.164 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.815 7.898 -2.832 1.00 0.00 C ATOM 1472 C GLY A 32 -10.555 7.755 -4.330 1.00 0.00 C ATOM 1473 O GLY A 32 -11.305 8.249 -5.146 1.00 0.00 O ATOM 0 H GLY A 32 -10.107 6.495 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.789 8.359 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.071 8.560 -2.390 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.497 7.093 -4.700 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.195 6.935 -6.151 1.00 0.00 C ATOM 1479 C LEU A 33 -10.289 6.109 -6.822 1.00 0.00 C ATOM 1480 O LEU A 33 -10.797 6.462 -7.863 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.867 6.202 -6.307 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.747 7.008 -5.636 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.453 6.179 -5.649 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.534 8.342 -6.382 1.00 0.00 C ATOM 0 H LEU A 33 -8.830 6.655 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.143 7.920 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.933 5.211 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.642 6.059 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.024 7.230 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.653 6.746 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.612 5.248 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.176 5.954 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.737 8.906 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.258 8.140 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.456 8.923 -6.359 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.659 5.010 -6.238 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.714 4.169 -6.860 1.00 0.00 C ATOM 1498 C TYR A 34 -12.999 4.974 -6.985 1.00 0.00 C ATOM 1499 O TYR A 34 -13.699 4.905 -7.976 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.974 2.958 -5.968 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.055 2.106 -6.577 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.396 2.437 -6.369 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.719 0.988 -7.346 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.404 1.648 -6.929 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.727 0.199 -7.908 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.070 0.529 -7.700 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.064 -0.249 -8.254 1.00 0.00 O ATOM 0 H TYR A 34 -10.279 4.657 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.387 3.845 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.060 2.376 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.272 3.285 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.653 3.302 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.682 0.734 -7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.441 1.902 -6.767 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.469 -0.665 -8.502 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.660 -0.985 -8.760 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.319 5.723 -5.977 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.565 6.524 -6.008 1.00 0.00 C ATOM 1519 C TYR A 35 -14.450 7.653 -7.038 1.00 0.00 C ATOM 1520 O TYR A 35 -15.326 7.870 -7.828 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.802 7.116 -4.616 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.253 7.498 -4.483 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.187 6.566 -4.014 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.659 8.781 -4.839 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.533 6.926 -3.898 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.004 9.147 -4.726 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.945 8.218 -4.254 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.273 8.576 -4.140 1.00 0.00 O ATOM 0 H TYR A 35 -12.766 5.816 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.401 5.884 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.532 6.391 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.168 7.990 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.868 5.571 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -15.935 9.495 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.255 6.209 -3.534 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.318 10.143 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.387 9.506 -4.427 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.389 8.390 -7.031 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.268 9.505 -8.018 1.00 0.00 C ATOM 1540 C LYS A 36 -13.324 8.965 -9.451 1.00 0.00 C ATOM 1541 O LYS A 36 -13.928 9.556 -10.323 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.925 10.203 -7.802 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.762 11.352 -8.797 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.461 12.102 -8.498 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.248 11.240 -8.876 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.052 12.115 -9.038 1.00 0.00 N ATOM 0 H LYS A 36 -12.600 8.279 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.094 10.202 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.864 10.584 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.111 9.488 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.746 10.966 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.611 12.032 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.437 13.039 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.417 12.359 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.064 10.493 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.446 10.700 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.229 11.534 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.231 12.812 -9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.861 12.611 -8.144 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.681 7.869 -9.708 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.674 7.312 -11.089 1.00 0.00 C ATOM 1562 C LEU A 37 -14.060 6.769 -11.467 1.00 0.00 C ATOM 1563 O LEU A 37 -14.475 6.898 -12.603 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.613 6.196 -11.163 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.245 6.774 -11.572 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.815 7.898 -10.616 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.201 5.657 -11.529 1.00 0.00 C ATOM 0 H LEU A 37 -12.156 7.329 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.428 8.101 -11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.530 5.701 -10.195 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.924 5.439 -11.883 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.327 7.185 -12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.846 8.289 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.554 8.699 -10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.739 7.504 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.229 6.056 -11.817 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.142 5.253 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.487 4.865 -12.221 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.767 6.139 -10.554 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.113 5.564 -10.906 1.00 0.00 C ATOM 1581 C HIS A 38 -17.242 6.179 -10.065 1.00 0.00 C ATOM 1582 O HIS A 38 -18.400 5.975 -10.358 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.064 4.054 -10.684 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.996 3.475 -11.570 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.272 2.965 -12.828 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.641 3.347 -11.401 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.105 2.559 -13.364 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.080 2.769 -12.535 1.00 0.00 N ATOM 0 H HIS A 38 -14.475 5.998 -9.587 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.328 5.797 -11.949 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.850 3.832 -9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.031 3.606 -10.914 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.093 3.649 -10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.010 2.117 -14.345 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.097 2.552 -12.698 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.943 6.952 -9.056 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.014 7.596 -8.230 1.00 0.00 C ATOM 1598 C GLN A 39 -19.148 6.607 -7.926 1.00 0.00 C ATOM 1599 O GLN A 39 -20.315 6.879 -8.103 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.486 8.874 -8.943 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.585 9.595 -8.140 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.718 11.035 -8.643 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.788 11.584 -9.200 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.846 11.671 -8.478 1.00 0.00 N ATOM 0 H GLN A 39 -15.991 7.169 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.620 7.886 -7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.639 9.545 -9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.864 8.621 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.534 9.071 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.338 9.590 -7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.627 11.211 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.946 12.628 -8.817 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.789 5.455 -7.428 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.791 4.428 -7.048 1.00 0.00 C ATOM 1615 C VAL A 40 -19.246 3.667 -5.842 1.00 0.00 C ATOM 1616 O VAL A 40 -18.050 3.554 -5.657 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.040 3.447 -8.194 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.888 4.120 -9.274 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.708 2.971 -8.787 1.00 0.00 C ATOM 0 H VAL A 40 -17.820 5.180 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.737 4.916 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.576 2.580 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.063 3.418 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.843 4.427 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.363 4.995 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.901 2.273 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.152 3.828 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.123 2.473 -8.014 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.104 3.146 -5.022 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.626 2.390 -3.828 1.00 0.00 C ATOM 1631 C ASN A 41 -19.364 0.934 -4.235 1.00 0.00 C ATOM 1632 O ASN A 41 -20.183 0.320 -4.890 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.698 2.439 -2.734 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.938 1.666 -3.191 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.284 1.684 -4.356 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.624 0.981 -2.316 1.00 0.00 N ATOM 0 H ASN A 41 -21.117 3.207 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.706 2.834 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.309 2.009 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.962 3.474 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.451 0.461 -2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.333 0.966 -1.338 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.229 0.377 -3.860 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.911 -1.047 -4.237 1.00 0.00 C ATOM 1645 C ARG A 42 -17.723 -1.891 -2.953 1.00 0.00 C ATOM 1646 O ARG A 42 -17.308 -1.375 -1.936 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.626 -1.064 -5.097 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.367 -0.746 -4.266 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.444 0.674 -3.688 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.106 0.625 -2.358 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.040 1.650 -1.564 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.342 2.695 -1.915 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -16.663 1.625 -0.417 1.00 0.00 N ATOM 0 H ARG A 42 -17.510 0.846 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.730 -1.476 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.515 -2.043 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.721 -0.337 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.267 -1.469 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.479 -0.842 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.443 1.096 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.002 1.324 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.611 -0.213 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.852 2.704 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.287 3.503 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.200 0.801 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.613 2.429 0.208 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.027 -3.178 -2.976 1.00 0.00 N ATOM 1668 CA PRO A 43 -17.863 -4.022 -1.754 1.00 0.00 C ATOM 1669 C PRO A 43 -16.465 -3.913 -1.110 1.00 0.00 C ATOM 1670 O PRO A 43 -15.472 -3.678 -1.771 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.134 -5.449 -2.281 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.568 -5.355 -3.758 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.559 -3.876 -4.185 1.00 0.00 C ATOM 0 HA PRO A 43 -18.534 -3.711 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.238 -6.063 -2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -18.912 -5.930 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.892 -5.934 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.564 -5.779 -3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.926 -3.712 -5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.558 -3.526 -4.446 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.406 -4.091 0.184 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.110 -4.012 0.926 1.00 0.00 C ATOM 1683 C LEU A 44 -14.193 -5.165 0.531 1.00 0.00 C ATOM 1684 O LEU A 44 -13.005 -5.120 0.753 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.388 -4.097 2.430 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.130 -2.827 2.901 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.648 -2.985 2.730 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.819 -2.561 4.379 1.00 0.00 C ATOM 0 H LEU A 44 -17.217 -4.292 0.770 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.622 -3.069 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -15.988 -4.981 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.451 -4.205 2.976 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.790 -1.990 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.149 -2.078 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.880 -3.157 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.994 -3.833 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.345 -1.664 4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.145 -3.411 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.746 -2.418 4.505 1.00 0.00 H new ATOM 1700 N THR A 45 -14.732 -6.206 -0.032 1.00 0.00 N ATOM 1701 CA THR A 45 -13.881 -7.367 -0.425 1.00 0.00 C ATOM 1702 C THR A 45 -12.588 -6.878 -1.095 1.00 0.00 C ATOM 1703 O THR A 45 -11.628 -7.613 -1.214 1.00 0.00 O ATOM 1704 CB THR A 45 -14.670 -8.269 -1.384 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.126 -9.580 -1.354 1.00 0.00 O ATOM 1706 CG2 THR A 45 -14.615 -7.721 -2.815 1.00 0.00 C ATOM 0 H THR A 45 -15.726 -6.307 -0.239 1.00 0.00 H new ATOM 0 HA THR A 45 -13.610 -7.935 0.465 1.00 0.00 H new ATOM 0 HB THR A 45 -15.711 -8.293 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.630 -10.157 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.181 -8.376 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.047 -6.721 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.578 -7.676 -3.148 1.00 0.00 H new ATOM 1714 N MET A 46 -12.551 -5.642 -1.531 1.00 0.00 N ATOM 1715 CA MET A 46 -11.308 -5.131 -2.187 1.00 0.00 C ATOM 1716 C MET A 46 -10.259 -4.778 -1.129 1.00 0.00 C ATOM 1717 O MET A 46 -9.100 -5.120 -1.249 1.00 0.00 O ATOM 1718 CB MET A 46 -11.633 -3.878 -3.016 1.00 0.00 C ATOM 1719 CG MET A 46 -12.257 -4.279 -4.358 1.00 0.00 C ATOM 1720 SD MET A 46 -11.016 -5.109 -5.392 1.00 0.00 S ATOM 1721 CE MET A 46 -10.094 -3.643 -5.935 1.00 0.00 C ATOM 0 H MET A 46 -13.318 -4.973 -1.462 1.00 0.00 H new ATOM 0 HA MET A 46 -10.913 -5.909 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.320 -3.236 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.725 -3.300 -3.187 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.106 -4.942 -4.191 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.638 -3.396 -4.870 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.024 -3.639 -7.023 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.612 -2.744 -5.602 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.092 -3.664 -5.507 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.655 -4.078 -0.105 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.681 -3.675 0.955 1.00 0.00 C ATOM 1733 C ARG A 47 -9.441 -4.816 1.945 1.00 0.00 C ATOM 1734 O ARG A 47 -10.132 -5.814 1.943 1.00 0.00 O ATOM 1735 CB ARG A 47 -10.184 -2.430 1.695 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.629 -2.624 2.182 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.695 -3.568 3.403 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.111 -4.931 2.967 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.980 -5.943 3.784 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.521 -5.751 4.991 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.313 -7.144 3.397 1.00 0.00 N ATOM 0 H ARG A 47 -11.614 -3.765 0.048 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.733 -3.441 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.535 -2.221 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.132 -1.564 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.058 -1.657 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.235 -3.032 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.722 -3.614 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.402 -3.180 4.136 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.497 -5.074 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.265 -4.812 5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.418 -6.540 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.676 -7.294 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.210 -7.933 4.036 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.451 -4.666 2.789 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.132 -5.719 3.799 1.00 0.00 C ATOM 1757 C LYS A 48 -7.820 -5.043 5.137 1.00 0.00 C ATOM 1758 O LYS A 48 -7.590 -3.852 5.202 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.924 -6.542 3.344 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.319 -7.407 2.144 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.119 -8.245 1.693 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.522 -9.106 0.494 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.879 -8.226 -0.654 1.00 0.00 N ATOM 0 H LYS A 48 -7.843 -3.848 2.821 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.987 -6.387 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.101 -5.881 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.572 -7.173 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.150 -8.059 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.661 -6.775 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.287 -7.594 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.776 -8.879 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.702 -9.768 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.369 -9.740 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.955 -8.798 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.790 -7.761 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.142 -7.503 -0.780 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.826 -5.790 6.206 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.548 -5.183 7.538 1.00 0.00 C ATOM 1779 C ASP A 49 -6.282 -4.324 7.463 1.00 0.00 C ATOM 1780 O ASP A 49 -6.349 -3.114 7.375 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.356 -6.299 8.568 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.329 -5.703 9.975 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.167 -4.500 10.085 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -7.472 -6.462 10.919 1.00 0.00 O ATOM 0 H ASP A 49 -8.011 -6.793 6.215 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.386 -4.552 7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.164 -7.026 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.426 -6.833 8.371 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.131 -4.936 7.509 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.864 -4.150 7.453 1.00 0.00 C ATOM 1791 C GLY A 50 -3.668 -3.585 6.046 1.00 0.00 C ATOM 1792 O GLY A 50 -4.501 -3.752 5.177 1.00 0.00 O ATOM 0 H GLY A 50 -5.012 -5.946 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.896 -3.338 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.019 -4.785 7.721 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.564 -2.922 5.813 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.302 -2.348 4.466 1.00 0.00 C ATOM 1798 C ILE A 51 -1.577 -3.379 3.600 1.00 0.00 C ATOM 1799 O ILE A 51 -0.636 -4.017 4.025 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.429 -1.101 4.617 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.105 -0.145 5.618 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.260 -0.421 3.250 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.555 1.274 5.465 1.00 0.00 C ATOM 0 H ILE A 51 -1.832 -2.755 6.503 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.246 -2.082 3.990 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.441 -1.373 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.183 -0.142 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.937 -0.498 6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.638 0.467 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.785 -1.114 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.238 -0.133 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.045 1.933 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.481 1.270 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.746 1.631 4.453 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.995 -3.515 2.376 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.316 -4.471 1.461 1.00 0.00 C ATOM 1817 C GLN A 52 -0.023 -3.806 0.976 1.00 0.00 C ATOM 1818 O GLN A 52 0.076 -2.597 0.958 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.229 -4.774 0.265 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.425 -5.610 0.719 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.414 -5.748 -0.442 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.613 -6.828 -0.961 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.041 -4.687 -0.878 1.00 0.00 N ATOM 0 H GLN A 52 -2.779 -3.005 1.968 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.095 -5.408 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.575 -3.843 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.671 -5.310 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.092 -6.595 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.911 -5.137 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.873 -3.780 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.698 -4.766 -1.654 1.00 0.00 H new ATOM 1832 N THR A 53 0.983 -4.565 0.615 1.00 0.00 N ATOM 1833 CA THR A 53 2.269 -3.935 0.154 1.00 0.00 C ATOM 1834 C THR A 53 2.827 -4.682 -1.059 1.00 0.00 C ATOM 1835 O THR A 53 2.446 -5.795 -1.358 1.00 0.00 O ATOM 1836 CB THR A 53 3.294 -3.952 1.289 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.596 -3.751 0.754 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.237 -5.292 2.015 1.00 0.00 C ATOM 0 H THR A 53 0.974 -5.585 0.618 1.00 0.00 H new ATOM 0 HA THR A 53 2.067 -2.903 -0.133 1.00 0.00 H new ATOM 0 HB THR A 53 3.065 -3.154 1.995 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.253 -3.760 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.969 -5.300 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.239 -5.440 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.462 -6.096 1.314 1.00 0.00 H new ATOM 1846 N ARG A 54 3.728 -4.048 -1.764 1.00 0.00 N ATOM 1847 CA ARG A 54 4.332 -4.676 -2.980 1.00 0.00 C ATOM 1848 C ARG A 54 5.763 -4.158 -3.150 1.00 0.00 C ATOM 1849 O ARG A 54 6.103 -3.091 -2.680 1.00 0.00 O ATOM 1850 CB ARG A 54 3.479 -4.300 -4.206 1.00 0.00 C ATOM 1851 CG ARG A 54 4.038 -4.923 -5.501 1.00 0.00 C ATOM 1852 CD ARG A 54 3.909 -6.451 -5.457 1.00 0.00 C ATOM 1853 NE ARG A 54 4.092 -7.014 -6.828 1.00 0.00 N ATOM 1854 CZ ARG A 54 4.307 -8.294 -6.977 1.00 0.00 C ATOM 1855 NH1 ARG A 54 4.326 -9.075 -5.934 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.499 -8.794 -8.169 1.00 0.00 N ATOM 0 H ARG A 54 4.075 -3.113 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 54 4.357 -5.761 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.454 -4.637 -4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.447 -3.215 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.499 -4.531 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.084 -4.643 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.654 -6.869 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.931 -6.731 -5.066 1.00 0.00 H new ATOM 0 HE ARG A 54 4.049 -6.403 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.173 -8.687 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.494 -10.075 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.481 -8.184 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.667 -9.794 -8.282 1.00 0.00 H new ATOM 1870 N ASN A 55 6.604 -4.903 -3.813 1.00 0.00 N ATOM 1871 CA ASN A 55 8.008 -4.445 -4.001 1.00 0.00 C ATOM 1872 C ASN A 55 7.993 -3.056 -4.646 1.00 0.00 C ATOM 1873 O ASN A 55 7.225 -2.789 -5.548 1.00 0.00 O ATOM 1874 CB ASN A 55 8.744 -5.427 -4.917 1.00 0.00 C ATOM 1875 CG ASN A 55 10.241 -5.111 -4.917 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.704 -4.301 -5.694 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.025 -5.730 -4.076 1.00 0.00 N ATOM 0 H ASN A 55 6.380 -5.806 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 55 8.517 -4.400 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.579 -6.449 -4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.349 -5.360 -5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.026 -5.533 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.637 -6.411 -3.423 1.00 0.00 H new ATOM 1884 N ARG A 56 8.828 -2.168 -4.184 1.00 0.00 N ATOM 1885 CA ARG A 56 8.850 -0.791 -4.762 1.00 0.00 C ATOM 1886 C ARG A 56 9.159 -0.845 -6.258 1.00 0.00 C ATOM 1887 O ARG A 56 10.134 -1.431 -6.686 1.00 0.00 O ATOM 1888 CB ARG A 56 9.934 0.041 -4.053 1.00 0.00 C ATOM 1889 CG ARG A 56 9.363 0.671 -2.783 1.00 0.00 C ATOM 1890 CD ARG A 56 10.471 1.406 -2.036 1.00 0.00 C ATOM 1891 NE ARG A 56 11.180 2.317 -2.980 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.018 3.208 -2.527 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.218 3.323 -1.243 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.653 3.987 -3.360 1.00 0.00 N ATOM 0 H ARG A 56 9.497 -2.334 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 56 7.871 -0.333 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.785 -0.593 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.302 0.820 -4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.560 1.363 -3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.929 -0.100 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.051 1.977 -1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.172 0.691 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 56 11.009 2.243 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.719 2.716 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.873 4.020 -0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.494 3.898 -4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.309 4.684 -3.007 1.00 0.00 H new ATOM 1908 N LYS A 57 8.326 -0.232 -7.052 1.00 0.00 N ATOM 1909 CA LYS A 57 8.541 -0.226 -8.522 1.00 0.00 C ATOM 1910 C LYS A 57 9.771 0.600 -8.881 1.00 0.00 C ATOM 1911 O LYS A 57 10.543 0.992 -8.028 1.00 0.00 O ATOM 1912 CB LYS A 57 7.332 0.374 -9.203 1.00 0.00 C ATOM 1913 CG LYS A 57 7.059 1.739 -8.614 1.00 0.00 C ATOM 1914 CD LYS A 57 5.790 2.280 -9.241 1.00 0.00 C ATOM 1915 CE LYS A 57 5.472 3.655 -8.658 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.827 3.483 -7.325 1.00 0.00 N ATOM 0 H LYS A 57 7.496 0.271 -6.739 1.00 0.00 H new ATOM 0 HA LYS A 57 8.692 -1.253 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.507 0.456 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.465 -0.273 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.949 1.671 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.895 2.411 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.909 2.352 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.962 1.596 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.385 4.242 -8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.810 4.203 -9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.151 4.257 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.324 2.573 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.555 3.499 -6.582 1.00 0.00 H new ATOM 1930 N VAL A 58 9.953 0.871 -10.144 1.00 0.00 N ATOM 1931 CA VAL A 58 11.126 1.676 -10.572 1.00 0.00 C ATOM 1932 C VAL A 58 11.193 2.939 -9.712 1.00 0.00 C ATOM 1933 O VAL A 58 10.199 3.600 -9.483 1.00 0.00 O ATOM 1934 CB VAL A 58 10.965 2.046 -12.053 1.00 0.00 C ATOM 1935 CG1 VAL A 58 9.601 2.704 -12.284 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.074 3.017 -12.468 1.00 0.00 C ATOM 0 H VAL A 58 9.337 0.568 -10.898 1.00 0.00 H new ATOM 0 HA VAL A 58 12.048 1.107 -10.448 1.00 0.00 H new ATOM 0 HB VAL A 58 11.033 1.138 -12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.496 2.963 -13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.810 2.010 -12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.526 3.608 -11.679 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.955 3.277 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.012 3.921 -11.862 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.045 2.546 -12.318 1.00 0.00 H new