USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 155:sc= 0.674 USER MOD Set 1.2: A 10 CYS SG : rot -46:sc= -0.843 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.674 USER MOD Set 1.4: A 31 CYS SG : rot 146:sc= -0.142 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00071 USER MOD Single : A 8 SER OG : rot 79:sc= 0.582 USER MOD Single : A 9 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.7!) USER MOD Single : A 11 GLN : amide:sc= -2.37! C(o=-2.4!,f=-1.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 57:sc= 0.487 USER MOD Single : A 15 THR OG1 : rot -132:sc= 0.798 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0535 USER MOD Single : A 21 SER OG : rot -160:sc= -0.286 USER MOD Single : A 23 MET CE :methyl 155:sc= -0.0816 (180deg=-0.815) USER MOD Single : A 29 ASN : amide:sc= -1.35 K(o=-1.3,f=-4!) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.181 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= -1.3 K(o=-1.3,f=-0.096) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0197 (180deg=-0.284) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 55 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.018) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -5.999 9.903 14.329 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.611 9.174 15.484 1.00 0.00 C ATOM 1070 C ALA A 3 -8.132 9.033 15.315 1.00 0.00 C ATOM 1071 O ALA A 3 -8.867 9.999 15.378 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.322 9.940 16.777 1.00 0.00 C ATOM 0 HA ALA A 3 -6.174 8.176 15.525 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.767 9.411 17.620 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.244 10.014 16.923 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.749 10.941 16.710 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.610 7.820 15.140 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.086 7.589 15.008 1.00 0.00 C ATOM 1080 C GLY A 4 -10.535 7.669 13.544 1.00 0.00 C ATOM 1081 O GLY A 4 -11.691 7.456 13.233 1.00 0.00 O ATOM 0 H GLY A 4 -8.038 6.978 15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.341 6.611 15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.626 8.330 15.597 1.00 0.00 H new ATOM 1085 N THR A 5 -9.651 8.003 12.647 1.00 0.00 N ATOM 1086 CA THR A 5 -10.064 8.126 11.216 1.00 0.00 C ATOM 1087 C THR A 5 -10.444 6.770 10.628 1.00 0.00 C ATOM 1088 O THR A 5 -9.631 5.875 10.516 1.00 0.00 O ATOM 1089 CB THR A 5 -8.915 8.695 10.390 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.316 9.764 11.095 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.442 9.200 9.038 1.00 0.00 C ATOM 0 H THR A 5 -8.668 8.195 12.837 1.00 0.00 H new ATOM 0 HA THR A 5 -10.929 8.788 11.182 1.00 0.00 H new ATOM 0 HB THR A 5 -8.176 7.913 10.214 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.576 10.130 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.616 9.605 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.900 8.374 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.185 9.980 9.205 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.668 6.648 10.196 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.142 5.397 9.534 1.00 0.00 C ATOM 1101 C VAL A 6 -12.612 5.814 8.144 1.00 0.00 C ATOM 1102 O VAL A 6 -13.180 6.875 7.979 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.299 4.775 10.317 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.769 4.131 11.602 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.312 5.862 10.670 1.00 0.00 C ATOM 0 H VAL A 6 -12.376 7.378 10.275 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.350 4.650 9.487 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.780 4.011 9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.597 3.689 12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.047 3.355 11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.285 4.890 12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.138 5.422 11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.829 6.626 11.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.693 6.315 9.755 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.373 5.031 7.137 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.805 5.440 5.775 1.00 0.00 C ATOM 1117 C CYS A 7 -14.317 5.547 5.695 1.00 0.00 C ATOM 1118 O CYS A 7 -15.040 4.592 5.899 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.312 4.398 4.791 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.761 4.867 3.105 1.00 0.00 S ATOM 0 H CYS A 7 -11.900 4.129 7.195 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.388 6.419 5.540 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.230 4.295 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.743 3.427 5.033 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.931 4.321 2.267 1.00 0.00 H new ATOM 1125 N SER A 8 -14.795 6.713 5.386 1.00 0.00 N ATOM 1126 CA SER A 8 -16.254 6.918 5.272 1.00 0.00 C ATOM 1127 C SER A 8 -16.823 5.997 4.186 1.00 0.00 C ATOM 1128 O SER A 8 -17.911 5.475 4.319 1.00 0.00 O ATOM 1129 CB SER A 8 -16.526 8.379 4.907 1.00 0.00 C ATOM 1130 OG SER A 8 -16.124 9.214 5.987 1.00 0.00 O ATOM 0 H SER A 8 -14.228 7.542 5.206 1.00 0.00 H new ATOM 0 HA SER A 8 -16.733 6.683 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.981 8.648 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.586 8.522 4.696 1.00 0.00 H new ATOM 0 HG SER A 8 -15.151 9.331 5.966 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.117 5.820 3.090 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.669 4.963 2.001 1.00 0.00 C ATOM 1138 C ASN A 9 -16.552 3.470 2.322 1.00 0.00 C ATOM 1139 O ASN A 9 -17.449 2.720 1.989 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.911 5.245 0.698 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.347 6.594 0.123 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.543 7.322 -0.423 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.598 6.956 0.215 1.00 0.00 N ATOM 0 H ASN A 9 -15.199 6.226 2.909 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.727 5.206 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.837 5.250 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.105 4.452 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.900 7.850 -0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.273 6.345 0.674 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.465 2.997 2.920 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.364 1.516 3.185 1.00 0.00 C ATOM 1152 C CYS A 10 -14.973 1.204 4.635 1.00 0.00 C ATOM 1153 O CYS A 10 -14.665 0.075 4.956 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.388 0.848 2.193 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.657 1.173 2.632 1.00 0.00 S ATOM 0 H CYS A 10 -14.669 3.557 3.226 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.358 1.097 3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.564 -0.228 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.583 1.217 1.186 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.507 2.436 2.901 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.031 2.163 5.524 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.728 1.896 6.967 1.00 0.00 C ATOM 1162 C GLN A 11 -13.338 1.297 7.204 1.00 0.00 C ATOM 1163 O GLN A 11 -12.983 1.020 8.332 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.791 0.949 7.545 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.137 1.675 7.636 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.708 1.865 6.228 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.113 0.913 5.592 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.748 3.061 5.709 1.00 0.00 N ATOM 0 H GLN A 11 -15.278 3.130 5.311 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.743 2.863 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.886 0.065 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.486 0.604 8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.832 1.100 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.009 2.642 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.408 3.860 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.120 3.197 4.769 1.00 0.00 H new ATOM 1177 N THR A 12 -12.531 1.105 6.203 1.00 0.00 N ATOM 1178 CA THR A 12 -11.181 0.542 6.493 1.00 0.00 C ATOM 1179 C THR A 12 -10.445 1.532 7.405 1.00 0.00 C ATOM 1180 O THR A 12 -10.777 2.700 7.433 1.00 0.00 O ATOM 1181 CB THR A 12 -10.395 0.340 5.188 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.193 -0.362 5.470 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.051 1.688 4.552 1.00 0.00 C ATOM 0 H THR A 12 -12.735 1.305 5.224 1.00 0.00 H new ATOM 0 HA THR A 12 -11.274 -0.428 6.982 1.00 0.00 H new ATOM 0 HB THR A 12 -11.011 -0.230 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.689 -0.495 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.495 1.524 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.970 2.231 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.443 2.272 5.243 1.00 0.00 H new ATOM 1191 N SER A 13 -9.443 1.099 8.132 1.00 0.00 N ATOM 1192 CA SER A 13 -8.685 2.055 9.017 1.00 0.00 C ATOM 1193 C SER A 13 -7.186 1.798 8.859 1.00 0.00 C ATOM 1194 O SER A 13 -6.380 2.225 9.661 1.00 0.00 O ATOM 1195 CB SER A 13 -9.096 1.852 10.475 1.00 0.00 C ATOM 1196 OG SER A 13 -8.569 0.617 10.941 1.00 0.00 O ATOM 0 H SER A 13 -9.115 0.133 8.155 1.00 0.00 H new ATOM 0 HA SER A 13 -8.914 3.081 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.725 2.674 11.088 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.182 1.854 10.563 1.00 0.00 H new ATOM 0 HG SER A 13 -8.828 0.483 11.876 1.00 0.00 H new ATOM 1202 N THR A 14 -6.815 1.099 7.819 1.00 0.00 N ATOM 1203 CA THR A 14 -5.377 0.786 7.560 1.00 0.00 C ATOM 1204 C THR A 14 -4.966 1.434 6.237 1.00 0.00 C ATOM 1205 O THR A 14 -4.447 0.796 5.357 1.00 0.00 O ATOM 1206 CB THR A 14 -5.220 -0.730 7.457 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.630 -1.164 6.167 1.00 0.00 O ATOM 1208 CG2 THR A 14 -6.090 -1.393 8.520 1.00 0.00 C ATOM 0 H THR A 14 -7.461 0.724 7.124 1.00 0.00 H new ATOM 0 HA THR A 14 -4.750 1.167 8.366 1.00 0.00 H new ATOM 0 HB THR A 14 -4.176 -1.004 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.111 -0.692 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.984 -2.476 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.776 -1.058 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.133 -1.120 8.359 1.00 0.00 H new ATOM 1216 N THR A 15 -5.272 2.679 6.067 1.00 0.00 N ATOM 1217 CA THR A 15 -4.968 3.357 4.767 1.00 0.00 C ATOM 1218 C THR A 15 -3.500 3.774 4.693 1.00 0.00 C ATOM 1219 O THR A 15 -2.883 4.097 5.687 1.00 0.00 O ATOM 1220 CB THR A 15 -5.837 4.611 4.655 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.208 5.685 5.339 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.173 4.330 5.318 1.00 0.00 C ATOM 0 H THR A 15 -5.721 3.268 6.768 1.00 0.00 H new ATOM 0 HA THR A 15 -5.175 2.661 3.954 1.00 0.00 H new ATOM 0 HB THR A 15 -5.975 4.874 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.861 6.133 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.807 5.214 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.660 3.494 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.013 4.080 6.367 1.00 0.00 H new ATOM 1230 N THR A 16 -2.952 3.817 3.504 1.00 0.00 N ATOM 1231 CA THR A 16 -1.544 4.270 3.360 1.00 0.00 C ATOM 1232 C THR A 16 -1.552 5.791 3.408 1.00 0.00 C ATOM 1233 O THR A 16 -0.650 6.418 3.926 1.00 0.00 O ATOM 1234 CB THR A 16 -0.953 3.826 2.014 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.608 4.523 0.966 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.120 2.316 1.802 1.00 0.00 C ATOM 0 H THR A 16 -3.419 3.559 2.635 1.00 0.00 H new ATOM 0 HA THR A 16 -0.939 3.838 4.157 1.00 0.00 H new ATOM 0 HB THR A 16 0.113 4.054 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.234 4.245 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.691 2.034 0.840 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.608 1.778 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.180 2.062 1.815 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.587 6.395 2.868 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.676 7.884 2.884 1.00 0.00 C ATOM 1246 C LEU A 17 -4.141 8.275 3.100 1.00 0.00 C ATOM 1247 O LEU A 17 -5.029 7.785 2.431 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.162 8.454 1.543 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.438 9.787 1.773 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.028 9.532 2.366 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.320 10.536 0.431 1.00 0.00 C ATOM 0 H LEU A 17 -3.369 5.919 2.419 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.062 8.291 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.485 7.741 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.997 8.600 0.858 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.006 10.392 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.477 10.485 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.123 9.008 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.554 8.924 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.806 11.484 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.754 9.929 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.316 10.725 0.031 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.405 9.150 4.026 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.808 9.564 4.279 1.00 0.00 C ATOM 1265 C TRP A 18 -6.205 10.654 3.284 1.00 0.00 C ATOM 1266 O TRP A 18 -5.529 11.653 3.131 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.910 10.102 5.713 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.044 8.955 6.670 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.133 8.601 7.606 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.140 8.002 6.788 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.609 7.498 8.295 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.840 7.095 7.829 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.354 7.841 6.102 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.712 6.066 8.180 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.233 6.804 6.450 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.914 5.919 7.487 1.00 0.00 C ATOM 0 H TRP A 18 -3.707 9.597 4.620 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.479 8.713 4.157 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.025 10.690 5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.769 10.767 5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.191 9.097 7.786 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.108 7.040 9.056 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.613 8.519 5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.459 5.388 8.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.163 6.688 5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.597 5.124 7.750 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.295 10.452 2.595 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.770 11.444 1.582 1.00 0.00 C ATOM 1289 C ARG A 19 -9.114 12.043 1.998 1.00 0.00 C ATOM 1290 O ARG A 19 -10.063 11.332 2.225 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.971 10.703 0.243 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.633 10.551 -0.506 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.214 11.895 -1.127 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.346 11.653 -2.328 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.294 10.876 -2.279 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.849 10.414 -1.144 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.641 10.614 -3.375 1.00 0.00 N ATOM 0 H ARG A 19 -7.888 9.628 2.692 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.034 12.244 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.403 9.719 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.680 11.251 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.861 10.203 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.729 9.796 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.098 12.464 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.675 12.493 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.584 12.108 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.322 10.657 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.027 9.810 -1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.951 11.013 -4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.820 10.010 -3.347 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.230 13.337 2.069 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.554 13.920 2.414 1.00 0.00 C ATOM 1313 C ARG A 20 -11.396 13.886 1.134 1.00 0.00 C ATOM 1314 O ARG A 20 -10.882 14.064 0.046 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.378 15.361 2.918 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.719 15.358 4.313 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.776 15.129 5.410 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.386 16.431 5.796 1.00 0.00 N ATOM 1319 CZ ARG A 20 -12.541 16.462 6.408 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.202 15.357 6.628 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -13.043 17.603 6.789 1.00 0.00 N ATOM 0 H ARG A 20 -8.479 14.008 1.906 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.044 13.357 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.763 15.927 2.218 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.347 15.859 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.961 14.576 4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.210 16.307 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.547 14.448 5.050 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.316 14.659 6.280 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.901 17.302 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.818 14.463 6.322 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.103 15.388 7.106 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.535 18.469 6.610 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.944 17.630 7.267 1.00 0.00 H new ATOM 1335 N SER A 21 -12.673 13.637 1.241 1.00 0.00 N ATOM 1336 CA SER A 21 -13.533 13.565 0.012 1.00 0.00 C ATOM 1337 C SER A 21 -14.133 14.952 -0.290 1.00 0.00 C ATOM 1338 O SER A 21 -14.258 15.771 0.593 1.00 0.00 O ATOM 1339 CB SER A 21 -14.636 12.526 0.255 1.00 0.00 C ATOM 1340 OG SER A 21 -14.125 11.229 -0.035 1.00 0.00 O ATOM 0 H SER A 21 -13.162 13.480 2.122 1.00 0.00 H new ATOM 0 HA SER A 21 -12.940 13.265 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.976 12.574 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.500 12.740 -0.375 1.00 0.00 H new ATOM 0 HG SER A 21 -14.870 10.612 -0.193 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.486 15.227 -1.533 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.067 16.554 -1.897 1.00 0.00 C ATOM 1348 C PRO A 22 -16.212 16.990 -0.961 1.00 0.00 C ATOM 1349 O PRO A 22 -16.489 18.164 -0.813 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.584 16.310 -3.336 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.166 14.890 -3.776 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.326 14.257 -2.657 1.00 0.00 C ATOM 0 HA PRO A 22 -14.340 17.361 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.669 16.413 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.171 17.054 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.048 14.282 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.591 14.935 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.690 13.265 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.282 14.145 -2.949 1.00 0.00 H new ATOM 1360 N MET A 23 -16.878 16.051 -0.334 1.00 0.00 N ATOM 1361 CA MET A 23 -18.004 16.409 0.587 1.00 0.00 C ATOM 1362 C MET A 23 -17.468 16.589 2.009 1.00 0.00 C ATOM 1363 O MET A 23 -18.144 17.097 2.881 1.00 0.00 O ATOM 1364 CB MET A 23 -19.049 15.289 0.568 1.00 0.00 C ATOM 1365 CG MET A 23 -19.759 15.283 -0.788 1.00 0.00 C ATOM 1366 SD MET A 23 -21.015 13.975 -0.824 1.00 0.00 S ATOM 1367 CE MET A 23 -22.190 14.719 0.339 1.00 0.00 C ATOM 0 H MET A 23 -16.691 15.052 -0.420 1.00 0.00 H new ATOM 0 HA MET A 23 -18.463 17.341 0.257 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.570 14.326 0.745 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.772 15.437 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.225 16.252 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.034 15.125 -1.587 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.191 14.336 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.902 14.466 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.185 15.802 0.218 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.253 16.173 2.247 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.653 16.306 3.608 1.00 0.00 C ATOM 1379 C GLY A 24 -15.811 14.988 4.370 1.00 0.00 C ATOM 1380 O GLY A 24 -15.807 14.960 5.585 1.00 0.00 O ATOM 0 H GLY A 24 -15.644 15.743 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.598 16.567 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.140 17.114 4.154 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.946 13.894 3.666 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.101 12.568 4.331 1.00 0.00 C ATOM 1386 C ASP A 25 -14.740 11.837 4.324 1.00 0.00 C ATOM 1387 O ASP A 25 -14.250 11.494 3.268 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.096 11.736 3.518 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.447 12.453 3.479 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.539 13.532 4.040 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.366 11.912 2.886 1.00 0.00 O ATOM 0 H ASP A 25 -15.955 13.864 2.646 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.450 12.701 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.721 11.588 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.209 10.748 3.963 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.116 11.588 5.460 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.800 10.881 5.456 1.00 0.00 C ATOM 1398 C PRO A 26 -12.820 9.601 4.603 1.00 0.00 C ATOM 1399 O PRO A 26 -13.697 8.773 4.749 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.613 10.555 6.949 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.527 11.497 7.747 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.645 11.971 6.807 1.00 0.00 C ATOM 0 HA PRO A 26 -11.996 11.475 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.868 9.514 7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.572 10.691 7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.947 10.981 8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.961 12.347 8.127 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.594 11.481 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.815 13.045 6.887 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.845 9.418 3.736 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.805 8.161 2.908 1.00 0.00 C ATOM 1412 C VAL A 27 -10.379 7.630 2.816 1.00 0.00 C ATOM 1413 O VAL A 27 -9.421 8.353 3.003 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.359 8.387 1.492 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.890 8.492 1.550 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.754 9.655 0.870 1.00 0.00 C ATOM 0 H VAL A 27 -11.084 10.075 3.567 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.439 7.428 3.407 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.084 7.540 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.282 8.652 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.303 7.569 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.173 9.329 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.159 9.797 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.003 10.518 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.671 9.551 0.812 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.231 6.365 2.504 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.870 5.788 2.374 1.00 0.00 C ATOM 1428 C CYS A 28 -8.339 6.137 0.988 1.00 0.00 C ATOM 1429 O CYS A 28 -9.095 6.412 0.075 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.897 4.259 2.612 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.769 3.367 1.286 1.00 0.00 S ATOM 0 H CYS A 28 -10.997 5.713 2.335 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.206 6.207 3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.875 3.887 2.685 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.381 4.051 3.566 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.737 2.666 1.798 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.051 6.187 0.831 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.486 6.585 -0.486 1.00 0.00 C ATOM 1438 C ASN A 29 -7.141 5.780 -1.609 1.00 0.00 C ATOM 1439 O ASN A 29 -7.361 6.284 -2.691 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.979 6.321 -0.494 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.342 7.040 -1.682 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.978 7.242 -2.698 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.100 7.431 -1.601 1.00 0.00 N ATOM 0 H ASN A 29 -6.365 5.971 1.554 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.680 7.646 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.533 6.670 0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.787 5.250 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.662 7.906 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.567 7.261 -0.748 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.449 4.542 -1.370 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.078 3.717 -2.439 1.00 0.00 C ATOM 1452 C ALA A 30 -9.472 4.263 -2.807 1.00 0.00 C ATOM 1453 O ALA A 30 -9.726 4.602 -3.944 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.188 2.272 -1.948 1.00 0.00 C ATOM 0 H ALA A 30 -7.294 4.062 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.458 3.758 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.647 1.658 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.193 1.888 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.802 2.239 -1.048 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.381 4.340 -1.865 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.751 4.854 -2.197 1.00 0.00 C ATOM 1462 C CYS A 31 -11.643 6.228 -2.843 1.00 0.00 C ATOM 1463 O CYS A 31 -12.317 6.530 -3.791 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.589 5.014 -0.925 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.111 3.412 -0.299 1.00 0.00 S ATOM 0 H CYS A 31 -10.238 4.073 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.221 4.139 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.008 5.535 -0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.463 5.630 -1.135 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.140 3.442 1.000 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.811 7.068 -2.327 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.702 8.425 -2.915 1.00 0.00 C ATOM 1472 C GLY A 32 -10.355 8.321 -4.399 1.00 0.00 C ATOM 1473 O GLY A 32 -10.918 9.013 -5.224 1.00 0.00 O ATOM 0 H GLY A 32 -10.203 6.882 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.642 8.962 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.935 8.997 -2.392 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.430 7.472 -4.748 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.050 7.340 -6.184 1.00 0.00 C ATOM 1479 C LEU A 33 -10.159 6.635 -6.972 1.00 0.00 C ATOM 1480 O LEU A 33 -10.622 7.131 -7.979 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.765 6.523 -6.291 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.605 7.263 -5.612 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.405 6.317 -5.510 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.213 8.511 -6.428 1.00 0.00 C ATOM 0 H LEU A 33 -8.922 6.865 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.900 8.336 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.906 5.548 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.527 6.343 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.915 7.582 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.575 6.833 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.680 5.443 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.105 6.000 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.389 9.025 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.904 8.209 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.069 9.182 -6.500 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.586 5.482 -6.533 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.660 4.761 -7.274 1.00 0.00 C ATOM 1498 C TYR A 34 -12.917 5.627 -7.327 1.00 0.00 C ATOM 1499 O TYR A 34 -13.546 5.764 -8.355 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.985 3.438 -6.567 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.250 2.842 -7.154 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.233 2.244 -8.420 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.443 2.903 -6.428 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.412 1.706 -8.955 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.619 2.368 -6.961 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.605 1.768 -8.226 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.764 1.237 -8.755 1.00 0.00 O ATOM 0 H TYR A 34 -10.240 5.010 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.315 4.554 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.156 2.740 -6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.114 3.608 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.313 2.197 -8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.456 3.365 -5.452 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.400 1.243 -9.931 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.539 2.417 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.541 0.486 -9.344 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.299 6.190 -6.220 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.527 7.024 -6.192 1.00 0.00 C ATOM 1519 C TYR A 35 -14.377 8.197 -7.162 1.00 0.00 C ATOM 1520 O TYR A 35 -15.271 8.523 -7.901 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.745 7.560 -4.772 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.173 8.007 -4.621 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.539 9.284 -5.039 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.124 7.146 -4.059 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.863 9.712 -4.896 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.450 7.566 -3.916 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.822 8.854 -4.333 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.127 9.278 -4.186 1.00 0.00 O ATOM 0 H TYR A 35 -12.811 6.108 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.382 6.418 -6.490 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.515 6.786 -4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.069 8.393 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.802 9.943 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.833 6.157 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.148 10.703 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.185 6.902 -3.486 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.660 8.562 -3.781 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.258 8.842 -7.169 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.094 9.987 -8.100 1.00 0.00 C ATOM 1540 C LYS A 36 -13.266 9.499 -9.541 1.00 0.00 C ATOM 1541 O LYS A 36 -13.909 10.141 -10.348 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.685 10.554 -7.919 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.432 11.682 -8.920 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.078 12.331 -8.616 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.935 11.358 -8.943 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.655 12.112 -9.052 1.00 0.00 N ATOM 0 H LYS A 36 -12.453 8.633 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.839 10.754 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.564 10.928 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.947 9.764 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.441 11.290 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.227 12.425 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.966 13.244 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.032 12.617 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.857 10.598 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.143 10.837 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.882 11.453 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.733 12.821 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.455 12.589 -8.150 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.689 8.384 -9.877 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.812 7.873 -11.272 1.00 0.00 C ATOM 1562 C LEU A 37 -14.226 7.334 -11.565 1.00 0.00 C ATOM 1563 O LEU A 37 -14.745 7.528 -12.647 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.779 6.747 -11.481 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.455 7.319 -11.999 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.841 8.259 -10.959 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.490 6.168 -12.272 1.00 0.00 C ATOM 0 H LEU A 37 -12.136 7.801 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.627 8.700 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.611 6.221 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.168 6.016 -12.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.640 7.879 -12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.901 8.658 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.530 9.080 -10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.655 7.709 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.545 6.566 -12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.315 5.613 -11.350 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.920 5.502 -13.020 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.830 6.612 -10.646 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.182 6.011 -10.920 1.00 0.00 C ATOM 1581 C HIS A 38 -17.278 6.623 -10.038 1.00 0.00 C ATOM 1582 O HIS A 38 -18.444 6.372 -10.247 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.092 4.508 -10.660 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.957 3.947 -11.469 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.149 3.400 -12.727 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.610 3.862 -11.223 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -13.946 3.012 -13.188 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -12.974 3.273 -12.311 1.00 0.00 N ATOM 0 H HIS A 38 -14.448 6.413 -9.721 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.453 6.218 -11.955 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.931 4.317 -9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.028 4.020 -10.933 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.119 4.200 -10.323 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.786 2.547 -14.149 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.978 3.081 -12.416 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.936 7.427 -9.070 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.958 8.067 -8.181 1.00 0.00 C ATOM 1598 C GLN A 39 -19.121 7.126 -7.836 1.00 0.00 C ATOM 1599 O GLN A 39 -20.281 7.480 -7.914 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.439 9.392 -8.790 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.156 9.155 -10.124 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.740 10.478 -10.624 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.052 11.478 -10.672 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.989 10.525 -10.998 1.00 0.00 N ATOM 0 H GLN A 39 -15.971 7.675 -8.850 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.475 8.287 -7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.113 9.893 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.588 10.056 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.459 8.751 -10.858 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.949 8.418 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.566 9.685 -10.957 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.389 11.402 -11.331 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.801 5.940 -7.391 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.836 4.964 -6.963 1.00 0.00 C ATOM 1615 C VAL A 40 -19.293 4.215 -5.747 1.00 0.00 C ATOM 1616 O VAL A 40 -18.099 4.038 -5.601 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.120 3.966 -8.076 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.981 4.623 -9.153 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.800 3.499 -8.677 1.00 0.00 C ATOM 0 H VAL A 40 -17.842 5.603 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.762 5.487 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.658 3.109 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.181 3.904 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.923 4.952 -8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.454 5.483 -9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.997 2.783 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.261 4.356 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.196 3.023 -7.904 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.147 3.777 -4.875 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.666 3.040 -3.669 1.00 0.00 C ATOM 1631 C ASN A 41 -19.514 1.548 -4.005 1.00 0.00 C ATOM 1632 O ASN A 41 -20.382 0.960 -4.620 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.676 3.209 -2.526 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.961 2.443 -2.848 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.296 2.251 -4.001 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.697 1.991 -1.870 1.00 0.00 N ATOM 0 H ASN A 41 -21.158 3.894 -4.939 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.701 3.442 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.248 2.842 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.899 4.266 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.554 1.476 -2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.415 2.152 -0.903 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.422 0.931 -3.607 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.206 -0.531 -3.897 1.00 0.00 C ATOM 1645 C ARG A 42 -18.273 -1.323 -2.566 1.00 0.00 C ATOM 1646 O ARG A 42 -17.969 -0.786 -1.519 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.821 -0.717 -4.545 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.890 -0.446 -6.065 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.315 -1.710 -6.827 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.448 -2.874 -6.438 1.00 0.00 N ATOM 1651 CZ ARG A 42 -15.148 -2.848 -6.587 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -14.569 -1.872 -7.231 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -14.427 -3.835 -6.129 1.00 0.00 N ATOM 0 H ARG A 42 -17.665 1.379 -3.090 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.975 -0.897 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.103 -0.040 -4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.464 -1.731 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -17.598 0.359 -6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.917 -0.110 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -18.359 -1.938 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.242 -1.537 -7.901 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.885 -3.708 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.131 -1.117 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.555 -1.864 -7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.877 -4.620 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.413 -3.821 -6.242 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.677 -2.585 -2.595 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.779 -3.409 -1.344 1.00 0.00 C ATOM 1669 C PRO A 43 -17.436 -3.578 -0.605 1.00 0.00 C ATOM 1670 O PRO A 43 -16.375 -3.522 -1.193 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.296 -4.764 -1.874 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.206 -4.744 -3.409 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.054 -3.283 -3.860 1.00 0.00 C ATOM 0 HA PRO A 43 -19.424 -2.941 -0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.701 -5.583 -1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.325 -4.929 -1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.357 -5.337 -3.748 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.100 -5.187 -3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.287 -3.174 -4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.981 -2.890 -4.278 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.493 -3.790 0.687 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.245 -3.978 1.492 1.00 0.00 C ATOM 1683 C LEU A 44 -15.484 -5.215 1.003 1.00 0.00 C ATOM 1684 O LEU A 44 -14.508 -5.625 1.599 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.630 -4.173 2.968 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.875 -2.814 3.624 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.161 -2.192 3.071 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -17.010 -3.004 5.137 1.00 0.00 C ATOM 0 H LEU A 44 -18.359 -3.841 1.224 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.608 -3.101 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.526 -4.789 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.835 -4.703 3.494 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.037 -2.151 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.329 -1.224 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.067 -2.059 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.004 -2.850 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.185 -2.038 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.848 -3.668 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.093 -3.441 5.532 1.00 0.00 H new ATOM 1700 N THR A 45 -15.912 -5.812 -0.067 1.00 0.00 N ATOM 1701 CA THR A 45 -15.198 -7.013 -0.574 1.00 0.00 C ATOM 1702 C THR A 45 -13.783 -6.607 -0.987 1.00 0.00 C ATOM 1703 O THR A 45 -12.927 -7.439 -1.220 1.00 0.00 O ATOM 1704 CB THR A 45 -15.955 -7.580 -1.776 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.224 -6.535 -2.701 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.273 -8.193 -1.301 1.00 0.00 C ATOM 0 H THR A 45 -16.723 -5.523 -0.613 1.00 0.00 H new ATOM 0 HA THR A 45 -15.144 -7.776 0.202 1.00 0.00 H new ATOM 0 HB THR A 45 -15.350 -8.347 -2.261 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.708 -6.897 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.815 -8.598 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.067 -8.993 -0.590 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.878 -7.426 -0.818 1.00 0.00 H new ATOM 1714 N MET A 46 -13.531 -5.326 -1.072 1.00 0.00 N ATOM 1715 CA MET A 46 -12.171 -4.843 -1.463 1.00 0.00 C ATOM 1716 C MET A 46 -11.389 -4.512 -0.195 1.00 0.00 C ATOM 1717 O MET A 46 -10.200 -4.261 -0.219 1.00 0.00 O ATOM 1718 CB MET A 46 -12.318 -3.573 -2.308 1.00 0.00 C ATOM 1719 CG MET A 46 -11.021 -3.304 -3.066 1.00 0.00 C ATOM 1720 SD MET A 46 -10.903 -4.463 -4.451 1.00 0.00 S ATOM 1721 CE MET A 46 -10.196 -3.324 -5.662 1.00 0.00 C ATOM 0 H MET A 46 -14.212 -4.590 -0.887 1.00 0.00 H new ATOM 0 HA MET A 46 -11.648 -5.609 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.144 -3.686 -3.010 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.558 -2.725 -1.667 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.003 -2.277 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.165 -3.421 -2.402 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.041 -3.847 -6.606 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.879 -2.489 -5.818 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.241 -2.948 -5.294 1.00 0.00 H new ATOM 1731 N ARG A 47 -12.067 -4.495 0.911 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.405 -4.160 2.193 1.00 0.00 C ATOM 1733 C ARG A 47 -10.566 -5.346 2.673 1.00 0.00 C ATOM 1734 O ARG A 47 -11.033 -6.467 2.746 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.494 -3.822 3.210 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.872 -3.469 4.554 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.988 -3.059 5.510 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.430 -2.873 6.879 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.135 -2.268 7.794 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -14.314 -1.795 7.501 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.660 -2.131 9.001 1.00 0.00 N ATOM 0 H ARG A 47 -13.063 -4.701 0.982 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.737 -3.308 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.092 -2.986 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.169 -4.670 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.325 -4.322 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.155 -2.656 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.453 -2.135 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.767 -3.821 5.524 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.496 -3.219 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.685 -1.898 6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.866 -1.322 8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.736 -2.497 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.213 -1.658 9.716 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.322 -5.094 2.999 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.408 -6.177 3.480 1.00 0.00 C ATOM 1757 C LYS A 48 -7.857 -5.778 4.848 1.00 0.00 C ATOM 1758 O LYS A 48 -7.522 -4.632 5.075 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.253 -6.341 2.487 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.355 -7.497 2.930 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.435 -7.902 1.778 1.00 0.00 C ATOM 1762 CE LYS A 48 -4.384 -8.888 2.290 1.00 0.00 C ATOM 1763 NZ LYS A 48 -5.061 -10.127 2.770 1.00 0.00 N ATOM 0 H LYS A 48 -8.895 -4.169 2.951 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.949 -7.120 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.644 -6.533 1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.675 -5.419 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.762 -7.199 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.964 -8.347 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.017 -8.357 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.949 -7.021 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.679 -9.130 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.810 -8.437 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.354 -10.877 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.543 -9.932 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.759 -10.437 2.064 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.785 -6.700 5.771 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.282 -6.359 7.134 1.00 0.00 C ATOM 1779 C ASP A 49 -6.040 -5.461 7.041 1.00 0.00 C ATOM 1780 O ASP A 49 -6.136 -4.251 7.083 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.937 -7.654 7.872 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.221 -8.448 8.132 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.287 -7.864 8.018 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.118 -9.623 8.440 1.00 0.00 O ATOM 0 H ASP A 49 -8.053 -7.675 5.640 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.055 -5.816 7.679 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.242 -8.249 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.439 -7.427 8.815 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.874 -6.041 6.929 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.625 -5.219 6.851 1.00 0.00 C ATOM 1791 C GLY A 50 -3.538 -4.506 5.493 1.00 0.00 C ATOM 1792 O GLY A 50 -4.423 -4.612 4.669 1.00 0.00 O ATOM 0 H GLY A 50 -4.730 -7.050 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.615 -4.484 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.753 -5.857 6.991 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.465 -3.784 5.255 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.298 -3.070 3.954 1.00 0.00 C ATOM 1798 C ILE A 51 -1.521 -3.949 2.964 1.00 0.00 C ATOM 1799 O ILE A 51 -0.623 -4.678 3.332 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.532 -1.761 4.189 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.201 -1.003 5.360 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.547 -0.906 2.901 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.862 0.497 5.317 1.00 0.00 C ATOM 0 H ILE A 51 -1.696 -3.661 5.913 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.281 -2.852 3.537 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.493 -1.971 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.282 -1.136 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.869 -1.427 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.002 0.022 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.073 -1.460 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.577 -0.676 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.346 1.004 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.782 0.628 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.217 0.924 4.379 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.841 -3.848 1.701 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.100 -4.636 0.673 1.00 0.00 C ATOM 1817 C GLN A 52 0.206 -3.892 0.350 1.00 0.00 C ATOM 1818 O GLN A 52 0.261 -2.683 0.414 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.936 -4.748 -0.607 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.164 -5.625 -0.376 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.025 -5.596 -1.640 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.074 -6.559 -2.380 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.702 -4.516 -1.927 1.00 0.00 N ATOM 0 H GLN A 52 -2.585 -3.253 1.336 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.895 -5.637 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.248 -3.755 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.328 -5.169 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.862 -6.647 -0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.734 -5.261 0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.661 -3.708 -1.306 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.272 -4.481 -2.772 1.00 0.00 H new ATOM 1832 N THR A 53 1.260 -4.592 0.015 1.00 0.00 N ATOM 1833 CA THR A 53 2.557 -3.901 -0.306 1.00 0.00 C ATOM 1834 C THR A 53 3.206 -4.557 -1.527 1.00 0.00 C ATOM 1835 O THR A 53 2.800 -5.614 -1.966 1.00 0.00 O ATOM 1836 CB THR A 53 3.496 -3.995 0.895 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.840 -3.847 0.460 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.312 -5.349 1.566 1.00 0.00 C ATOM 0 H THR A 53 1.284 -5.610 -0.051 1.00 0.00 H new ATOM 0 HA THR A 53 2.362 -2.852 -0.529 1.00 0.00 H new ATOM 0 HB THR A 53 3.266 -3.203 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.442 -3.906 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.979 -5.423 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.279 -5.453 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.545 -6.142 0.855 1.00 0.00 H new ATOM 1846 N ARG A 54 4.198 -3.918 -2.095 1.00 0.00 N ATOM 1847 CA ARG A 54 4.857 -4.486 -3.313 1.00 0.00 C ATOM 1848 C ARG A 54 6.327 -4.053 -3.385 1.00 0.00 C ATOM 1849 O ARG A 54 6.736 -3.097 -2.757 1.00 0.00 O ATOM 1850 CB ARG A 54 4.100 -3.968 -4.543 1.00 0.00 C ATOM 1851 CG ARG A 54 4.284 -4.930 -5.733 1.00 0.00 C ATOM 1852 CD ARG A 54 3.368 -6.175 -5.615 1.00 0.00 C ATOM 1853 NE ARG A 54 2.511 -6.284 -6.846 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.713 -5.315 -7.205 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.563 -4.275 -6.437 1.00 0.00 N ATOM 1856 NH2 ARG A 54 1.054 -5.388 -8.324 1.00 0.00 N ATOM 0 H ARG A 54 4.580 -3.030 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 54 4.830 -5.575 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.040 -3.867 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.463 -2.976 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.065 -4.404 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.325 -5.249 -5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.972 -7.075 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.740 -6.095 -4.727 1.00 0.00 H new ATOM 0 HE ARG A 54 2.554 -7.132 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.069 -4.216 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.939 -3.519 -6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.159 -6.205 -8.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.432 -4.628 -8.600 1.00 0.00 H new ATOM 1870 N ASN A 55 7.120 -4.750 -4.160 1.00 0.00 N ATOM 1871 CA ASN A 55 8.557 -4.371 -4.281 1.00 0.00 C ATOM 1872 C ASN A 55 8.653 -2.927 -4.768 1.00 0.00 C ATOM 1873 O ASN A 55 7.897 -2.495 -5.614 1.00 0.00 O ATOM 1874 CB ASN A 55 9.269 -5.274 -5.290 1.00 0.00 C ATOM 1875 CG ASN A 55 10.746 -4.876 -5.355 1.00 0.00 C ATOM 1876 OD1 ASN A 55 11.460 -4.986 -4.377 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.238 -4.403 -6.468 1.00 0.00 N ATOM 0 H ASN A 55 6.835 -5.560 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 55 9.030 -4.481 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.173 -6.319 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.809 -5.177 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.219 -4.127 -6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.642 -4.310 -7.290 1.00 0.00 H new ATOM 1884 N ARG A 56 9.569 -2.178 -4.232 1.00 0.00 N ATOM 1885 CA ARG A 56 9.715 -0.755 -4.650 1.00 0.00 C ATOM 1886 C ARG A 56 10.161 -0.658 -6.101 1.00 0.00 C ATOM 1887 O ARG A 56 11.086 -1.320 -6.527 1.00 0.00 O ATOM 1888 CB ARG A 56 10.775 -0.080 -3.782 1.00 0.00 C ATOM 1889 CG ARG A 56 10.307 -0.049 -2.329 1.00 0.00 C ATOM 1890 CD ARG A 56 9.099 0.885 -2.173 1.00 0.00 C ATOM 1891 NE ARG A 56 9.031 1.370 -0.762 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.087 0.540 0.239 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.962 -0.741 0.041 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.198 1.002 1.451 1.00 0.00 N ATOM 0 H ARG A 56 10.228 -2.489 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 56 8.747 -0.266 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.719 -0.619 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.958 0.934 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.040 -1.055 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.120 0.288 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.187 1.730 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.181 0.358 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 56 8.939 2.369 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.819 -1.100 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.007 -1.386 0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.240 2.008 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.242 0.358 2.240 1.00 0.00 H new ATOM 1908 N LYS A 57 9.515 0.178 -6.861 1.00 0.00 N ATOM 1909 CA LYS A 57 9.904 0.343 -8.281 1.00 0.00 C ATOM 1910 C LYS A 57 11.167 1.210 -8.354 1.00 0.00 C ATOM 1911 O LYS A 57 11.499 1.918 -7.424 1.00 0.00 O ATOM 1912 CB LYS A 57 8.761 0.997 -9.055 1.00 0.00 C ATOM 1913 CG LYS A 57 8.028 1.982 -8.149 1.00 0.00 C ATOM 1914 CD LYS A 57 7.131 2.854 -9.016 1.00 0.00 C ATOM 1915 CE LYS A 57 6.369 3.867 -8.156 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.477 4.683 -9.028 1.00 0.00 N ATOM 0 H LYS A 57 8.731 0.755 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 57 10.111 -0.630 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.151 1.514 -9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.070 0.235 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.435 1.447 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.742 2.598 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.732 3.379 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.425 2.229 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.781 3.349 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.070 4.513 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.958 5.372 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.049 5.188 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.800 4.060 -9.512 1.00 0.00 H new ATOM 1930 N VAL A 58 11.883 1.143 -9.441 1.00 0.00 N ATOM 1931 CA VAL A 58 13.132 1.948 -9.570 1.00 0.00 C ATOM 1932 C VAL A 58 12.796 3.438 -9.577 1.00 0.00 C ATOM 1933 O VAL A 58 13.663 4.287 -9.641 1.00 0.00 O ATOM 1934 CB VAL A 58 13.844 1.559 -10.873 1.00 0.00 C ATOM 1935 CG1 VAL A 58 12.851 1.625 -12.036 1.00 0.00 C ATOM 1936 CG2 VAL A 58 15.016 2.513 -11.145 1.00 0.00 C ATOM 0 H VAL A 58 11.657 0.564 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 58 13.788 1.747 -8.723 1.00 0.00 H new ATOM 0 HB VAL A 58 14.230 0.544 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.356 1.349 -12.962 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.028 0.934 -11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.461 2.639 -12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.512 2.225 -12.072 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.642 3.533 -11.235 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.728 2.459 -10.321 1.00 0.00 H new