USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=22 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 12 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 THR OG1 : rot 17:sc= 0.917 USER MOD Set 2.1: A 7 CYS SG : rot 159:sc= 0.368 USER MOD Set 2.2: A 10 CYS SG : rot -50:sc= -2.05! USER MOD Set 2.3: A 28 CYS SG : rot -123:sc= 1.02 USER MOD Set 2.4: A 31 CYS SG : rot 85:sc= -0.0986 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 76:sc= -0.104 USER MOD Single : A 9 ASN :FLIP amide:sc= -2.9! C(o=-3.9!,f=-2.9!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.574 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -153:sc= -0.134 (180deg=-1.02) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.16 F(o=-4.3!,f=-1.2) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -1.74 (180deg=-3.49!) USER MOD Single : A 38 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.0686! C(o=0.069!,f=-8.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -126:sc= 0 (180deg=-0.0184) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0332 (180deg=-0.346) USER MOD Single : A 52 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.99) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 55 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.223 9.696 14.467 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.032 9.320 15.662 1.00 0.00 C ATOM 1070 C ALA A 3 -8.525 9.485 15.358 1.00 0.00 C ATOM 1071 O ALA A 3 -9.014 10.578 15.149 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.643 10.220 16.839 1.00 0.00 C ATOM 0 HA ALA A 3 -6.837 8.278 15.916 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.232 9.948 17.715 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.583 10.092 17.060 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.836 11.261 16.580 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.254 8.399 15.350 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.721 8.472 15.077 1.00 0.00 C ATOM 1080 C GLY A 4 -10.977 8.487 13.567 1.00 0.00 C ATOM 1081 O GLY A 4 -12.096 8.333 13.121 1.00 0.00 O ATOM 0 H GLY A 4 -8.895 7.460 15.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.226 7.619 15.530 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.139 9.369 15.533 1.00 0.00 H new ATOM 1085 N THR A 5 -9.960 8.697 12.776 1.00 0.00 N ATOM 1086 CA THR A 5 -10.178 8.749 11.302 1.00 0.00 C ATOM 1087 C THR A 5 -10.565 7.373 10.762 1.00 0.00 C ATOM 1088 O THR A 5 -9.778 6.447 10.765 1.00 0.00 O ATOM 1089 CB THR A 5 -8.904 9.210 10.599 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.366 10.336 11.279 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.229 9.590 9.149 1.00 0.00 C ATOM 0 H THR A 5 -8.997 8.834 13.082 1.00 0.00 H new ATOM 0 HA THR A 5 -10.987 9.453 11.108 1.00 0.00 H new ATOM 0 HB THR A 5 -8.173 8.402 10.606 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.547 10.630 10.828 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.319 9.919 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.638 8.724 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.961 10.397 9.140 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.767 7.256 10.260 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.240 5.971 9.660 1.00 0.00 C ATOM 1101 C VAL A 6 -12.642 6.271 8.216 1.00 0.00 C ATOM 1102 O VAL A 6 -13.216 7.305 7.936 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.448 5.445 10.444 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.056 5.223 11.907 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.589 6.460 10.375 1.00 0.00 C ATOM 0 H VAL A 6 -12.453 8.010 10.240 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.458 5.212 9.694 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.774 4.501 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.917 4.849 12.462 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.246 4.495 11.960 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.726 6.166 12.342 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.446 6.083 10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.262 7.405 10.808 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.874 6.617 9.335 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.355 5.402 7.287 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.736 5.684 5.876 1.00 0.00 C ATOM 1117 C CYS A 7 -14.248 5.767 5.747 1.00 0.00 C ATOM 1118 O CYS A 7 -14.965 4.829 6.016 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.203 4.569 4.983 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.599 4.932 3.256 1.00 0.00 S ATOM 0 H CYS A 7 -11.876 4.515 7.442 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.307 6.638 5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.124 4.475 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.642 3.615 5.274 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.796 4.269 2.478 1.00 0.00 H new ATOM 1125 N SER A 8 -14.736 6.895 5.335 1.00 0.00 N ATOM 1126 CA SER A 8 -16.197 7.060 5.186 1.00 0.00 C ATOM 1127 C SER A 8 -16.742 6.083 4.141 1.00 0.00 C ATOM 1128 O SER A 8 -17.812 5.531 4.302 1.00 0.00 O ATOM 1129 CB SER A 8 -16.487 8.495 4.759 1.00 0.00 C ATOM 1130 OG SER A 8 -16.111 9.370 5.817 1.00 0.00 O ATOM 0 H SER A 8 -14.180 7.715 5.093 1.00 0.00 H new ATOM 0 HA SER A 8 -16.685 6.849 6.137 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.934 8.739 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.546 8.614 4.528 1.00 0.00 H new ATOM 0 HG SER A 8 -15.135 9.461 5.835 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.034 5.877 3.054 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.555 4.952 2.009 1.00 0.00 C ATOM 1138 C ASN A 9 -16.432 3.479 2.431 1.00 0.00 C ATOM 1139 O ASN A 9 -17.324 2.703 2.148 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.766 5.171 0.714 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.185 6.496 0.069 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.330 7.148 -0.671 1.00 0.00 O flip ATOM 1143 ND2 ASN A 9 -17.303 6.942 0.239 1.00 0.00 N flip ATOM 0 H ASN A 9 -15.131 6.305 2.851 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.613 5.170 1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.697 5.181 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.946 4.347 0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.972 6.434 0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.572 7.824 -0.196 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.344 3.053 3.072 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.232 1.590 3.447 1.00 0.00 C ATOM 1152 C CYS A 10 -14.887 1.389 4.933 1.00 0.00 C ATOM 1153 O CYS A 10 -14.591 0.288 5.351 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.207 0.874 2.542 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.506 1.240 3.055 1.00 0.00 S ATOM 0 H CYS A 10 -14.554 3.639 3.343 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.213 1.142 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.376 -0.202 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.352 1.185 1.508 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.356 2.526 3.176 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.977 2.412 5.747 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.727 2.256 7.219 1.00 0.00 C ATOM 1162 C GLN A 11 -13.354 1.668 7.569 1.00 0.00 C ATOM 1163 O GLN A 11 -13.058 1.489 8.735 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.820 1.370 7.821 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.163 2.096 7.721 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.268 1.207 8.291 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.207 -0.001 8.186 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.285 1.759 8.895 1.00 0.00 N ATOM 0 H GLN A 11 -15.215 3.359 5.454 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.744 3.261 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.867 0.418 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.591 1.145 8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.121 3.038 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.379 2.341 6.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.336 2.774 8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -20.028 1.175 9.279 1.00 0.00 H new ATOM 1177 N THR A 12 -12.498 1.373 6.633 1.00 0.00 N ATOM 1178 CA THR A 12 -11.175 0.824 7.055 1.00 0.00 C ATOM 1179 C THR A 12 -10.470 1.903 7.878 1.00 0.00 C ATOM 1180 O THR A 12 -10.675 3.078 7.646 1.00 0.00 O ATOM 1181 CB THR A 12 -10.317 0.459 5.834 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.136 -0.194 6.276 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.937 1.717 5.054 1.00 0.00 C ATOM 0 H THR A 12 -12.644 1.481 5.629 1.00 0.00 H new ATOM 0 HA THR A 12 -11.320 -0.084 7.641 1.00 0.00 H new ATOM 0 HB THR A 12 -10.889 -0.200 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.584 -0.431 5.502 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.329 1.441 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.841 2.221 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.369 2.387 5.699 1.00 0.00 H new ATOM 1191 N SER A 13 -9.628 1.531 8.817 1.00 0.00 N ATOM 1192 CA SER A 13 -8.896 2.570 9.628 1.00 0.00 C ATOM 1193 C SER A 13 -7.435 2.570 9.189 1.00 0.00 C ATOM 1194 O SER A 13 -6.661 3.440 9.534 1.00 0.00 O ATOM 1195 CB SER A 13 -9.006 2.263 11.120 1.00 0.00 C ATOM 1196 OG SER A 13 -8.222 1.116 11.419 1.00 0.00 O ATOM 0 H SER A 13 -9.415 0.563 9.058 1.00 0.00 H new ATOM 0 HA SER A 13 -9.338 3.552 9.461 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.663 3.116 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.047 2.088 11.392 1.00 0.00 H new ATOM 0 HG SER A 13 -8.288 0.915 12.376 1.00 0.00 H new ATOM 1202 N THR A 14 -7.070 1.594 8.404 1.00 0.00 N ATOM 1203 CA THR A 14 -5.674 1.498 7.894 1.00 0.00 C ATOM 1204 C THR A 14 -5.639 2.051 6.475 1.00 0.00 C ATOM 1205 O THR A 14 -6.337 1.576 5.600 1.00 0.00 O ATOM 1206 CB THR A 14 -5.255 0.030 7.855 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.097 -0.672 6.951 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.383 -0.576 9.250 1.00 0.00 C ATOM 0 H THR A 14 -7.690 0.848 8.090 1.00 0.00 H new ATOM 0 HA THR A 14 -5.000 2.060 8.541 1.00 0.00 H new ATOM 0 HB THR A 14 -4.219 -0.046 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.562 -0.032 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.084 -1.624 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.739 -0.034 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.418 -0.504 9.585 1.00 0.00 H new ATOM 1216 N THR A 15 -4.830 3.042 6.230 1.00 0.00 N ATOM 1217 CA THR A 15 -4.751 3.617 4.857 1.00 0.00 C ATOM 1218 C THR A 15 -3.326 4.074 4.590 1.00 0.00 C ATOM 1219 O THR A 15 -2.623 4.490 5.489 1.00 0.00 O ATOM 1220 CB THR A 15 -5.671 4.832 4.760 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.019 5.962 5.320 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.954 4.558 5.531 1.00 0.00 C ATOM 0 H THR A 15 -4.220 3.480 6.920 1.00 0.00 H new ATOM 0 HA THR A 15 -5.051 2.861 4.131 1.00 0.00 H new ATOM 0 HB THR A 15 -5.908 5.027 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.620 6.405 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.612 5.425 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.455 3.688 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.716 4.365 6.577 1.00 0.00 H new ATOM 1230 N THR A 16 -2.896 4.028 3.366 1.00 0.00 N ATOM 1231 CA THR A 16 -1.521 4.496 3.073 1.00 0.00 C ATOM 1232 C THR A 16 -1.534 6.019 3.183 1.00 0.00 C ATOM 1233 O THR A 16 -0.628 6.625 3.717 1.00 0.00 O ATOM 1234 CB THR A 16 -1.095 4.080 1.660 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.809 4.852 0.707 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.370 2.588 1.411 1.00 0.00 C ATOM 0 H THR A 16 -3.430 3.691 2.565 1.00 0.00 H new ATOM 0 HA THR A 16 -0.813 4.055 3.774 1.00 0.00 H new ATOM 0 HB THR A 16 -0.023 4.253 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.537 4.589 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.057 2.324 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.812 1.990 2.132 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.436 2.391 1.524 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.586 6.636 2.703 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.703 8.124 2.799 1.00 0.00 C ATOM 1246 C LEU A 17 -4.171 8.484 3.012 1.00 0.00 C ATOM 1247 O LEU A 17 -5.040 8.008 2.309 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.184 8.805 1.513 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.593 10.190 1.841 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.360 10.052 2.771 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.207 10.903 0.524 1.00 0.00 C ATOM 0 H LEU A 17 -3.371 6.171 2.247 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.098 8.475 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.424 8.180 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.998 8.910 0.795 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.340 10.785 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.043 11.041 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.658 9.567 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.403 9.451 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.788 11.884 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.467 10.307 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.094 11.022 -0.099 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.458 9.331 3.956 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.866 9.727 4.182 1.00 0.00 C ATOM 1265 C TRP A 18 -6.255 10.761 3.133 1.00 0.00 C ATOM 1266 O TRP A 18 -5.570 11.743 2.927 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.996 10.338 5.582 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.048 9.233 6.590 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.084 8.948 7.495 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.100 8.250 6.790 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.483 7.854 8.239 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.719 7.390 7.844 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.341 8.024 6.167 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.536 6.343 8.266 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.164 6.970 6.590 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.763 6.132 7.634 1.00 0.00 C ATOM 0 H TRP A 18 -3.777 9.765 4.579 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.521 8.859 4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.151 10.995 5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.897 10.948 5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.156 9.487 7.616 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.930 7.440 8.989 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.661 8.665 5.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.223 5.700 9.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.115 6.805 6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.402 5.321 7.952 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.349 10.538 2.470 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.820 11.481 1.416 1.00 0.00 C ATOM 1289 C ARG A 19 -9.175 12.059 1.805 1.00 0.00 C ATOM 1290 O ARG A 19 -10.081 11.330 2.134 1.00 0.00 O ATOM 1291 CB ARG A 19 -7.980 10.687 0.106 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.615 10.537 -0.594 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.207 11.867 -1.251 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.355 11.591 -2.449 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.266 10.879 -2.361 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.787 10.538 -1.197 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.628 10.547 -3.446 1.00 0.00 N ATOM 0 H ARG A 19 -7.951 9.727 2.614 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.104 12.294 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.399 9.703 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.682 11.197 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.858 10.233 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.669 9.752 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.095 12.427 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.661 12.485 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.632 11.968 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.265 10.828 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.935 9.981 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.981 10.844 -4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.775 9.990 -3.386 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.346 13.348 1.761 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.680 13.906 2.106 1.00 0.00 C ATOM 1313 C ARG A 20 -11.556 13.761 0.859 1.00 0.00 C ATOM 1314 O ARG A 20 -11.068 13.834 -0.251 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.548 15.386 2.496 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.720 15.786 3.410 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.562 15.165 4.820 1.00 0.00 C ATOM 1318 NE ARG A 20 -12.038 16.138 5.863 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.505 17.326 5.985 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -10.461 17.654 5.274 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -11.997 18.175 6.845 1.00 0.00 N ATOM 0 H ARG A 20 -8.632 14.031 1.505 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.119 13.379 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.601 15.554 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.542 16.009 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.769 16.872 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.660 15.457 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.134 14.239 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.518 14.908 4.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.795 15.865 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.058 16.983 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.048 18.582 5.372 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.796 17.912 7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.582 19.102 6.941 1.00 0.00 H new ATOM 1335 N SER A 21 -12.836 13.556 1.016 1.00 0.00 N ATOM 1336 CA SER A 21 -13.717 13.409 -0.187 1.00 0.00 C ATOM 1337 C SER A 21 -14.269 14.792 -0.576 1.00 0.00 C ATOM 1338 O SER A 21 -14.304 15.694 0.233 1.00 0.00 O ATOM 1339 CB SER A 21 -14.857 12.433 0.138 1.00 0.00 C ATOM 1340 OG SER A 21 -14.591 11.179 -0.473 1.00 0.00 O ATOM 0 H SER A 21 -13.310 13.484 1.916 1.00 0.00 H new ATOM 0 HA SER A 21 -13.150 13.010 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.951 12.312 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.806 12.832 -0.222 1.00 0.00 H new ATOM 0 HG SER A 21 -15.316 10.554 -0.266 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.697 14.959 -1.807 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.254 16.266 -2.256 1.00 0.00 C ATOM 1348 C PRO A 22 -16.378 16.751 -1.326 1.00 0.00 C ATOM 1349 O PRO A 22 -16.739 17.911 -1.319 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.794 15.927 -3.668 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.583 14.419 -3.919 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.655 13.877 -2.827 1.00 0.00 C ATOM 0 HA PRO A 22 -14.523 17.074 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.852 16.180 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.274 16.514 -4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.538 13.894 -3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.147 14.255 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.010 12.927 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.644 13.708 -3.199 1.00 0.00 H new ATOM 1360 N MET A 23 -16.936 15.854 -0.547 1.00 0.00 N ATOM 1361 CA MET A 23 -18.043 16.232 0.385 1.00 0.00 C ATOM 1362 C MET A 23 -17.469 16.592 1.760 1.00 0.00 C ATOM 1363 O MET A 23 -18.148 17.153 2.597 1.00 0.00 O ATOM 1364 CB MET A 23 -19.002 15.048 0.533 1.00 0.00 C ATOM 1365 CG MET A 23 -19.586 14.683 -0.834 1.00 0.00 C ATOM 1366 SD MET A 23 -20.703 15.997 -1.393 1.00 0.00 S ATOM 1367 CE MET A 23 -22.040 15.724 -0.199 1.00 0.00 C ATOM 0 H MET A 23 -16.669 14.870 -0.518 1.00 0.00 H new ATOM 0 HA MET A 23 -18.575 17.094 -0.019 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.476 14.192 0.955 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.804 15.302 1.226 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.783 14.543 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.125 13.738 -0.769 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.984 16.061 -0.627 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.107 14.662 0.036 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.834 16.285 0.713 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.226 16.266 2.001 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.596 16.578 3.323 1.00 0.00 C ATOM 1379 C GLY A 24 -15.606 15.330 4.211 1.00 0.00 C ATOM 1380 O GLY A 24 -15.526 15.419 5.421 1.00 0.00 O ATOM 0 H GLY A 24 -15.614 15.794 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.572 16.922 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.138 17.388 3.812 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.709 14.164 3.624 1.00 0.00 N ATOM 1385 CA ASP A 25 -15.730 12.897 4.420 1.00 0.00 C ATOM 1386 C ASP A 25 -14.348 12.199 4.344 1.00 0.00 C ATOM 1387 O ASP A 25 -13.821 12.027 3.264 1.00 0.00 O ATOM 1388 CB ASP A 25 -16.769 11.964 3.795 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.152 12.609 3.864 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.306 13.556 4.617 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.036 12.143 3.164 1.00 0.00 O ATOM 0 H ASP A 25 -15.780 14.034 2.615 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.968 13.121 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.506 11.755 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.776 11.009 4.320 1.00 0.00 H new ATOM 1396 N PRO A 26 -13.756 11.772 5.450 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.434 11.074 5.374 1.00 0.00 C ATOM 1398 C PRO A 26 -12.531 9.730 4.621 1.00 0.00 C ATOM 1399 O PRO A 26 -13.354 8.895 4.940 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.079 10.853 6.862 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.281 11.283 7.723 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.327 11.950 6.817 1.00 0.00 C ATOM 0 HA PRO A 26 -11.686 11.646 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.840 9.805 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.195 11.432 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.714 10.418 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.959 11.975 8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.303 11.474 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.461 13.003 7.064 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.671 9.510 3.650 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.686 8.201 2.902 1.00 0.00 C ATOM 1412 C VAL A 27 -10.264 7.663 2.786 1.00 0.00 C ATOM 1413 O VAL A 27 -9.303 8.398 2.898 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.303 8.350 1.503 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.830 8.443 1.627 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.754 9.602 0.813 1.00 0.00 C ATOM 0 H VAL A 27 -10.962 10.175 3.342 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.305 7.501 3.463 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.042 7.480 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.270 8.549 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.213 7.538 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.094 9.308 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.199 9.696 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.000 10.482 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.671 9.520 0.718 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.112 6.383 2.551 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.747 5.812 2.417 1.00 0.00 C ATOM 1428 C CYS A 28 -8.257 6.062 0.982 1.00 0.00 C ATOM 1429 O CYS A 28 -9.041 6.227 0.069 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.757 4.312 2.799 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.603 3.287 1.566 1.00 0.00 S ATOM 0 H CYS A 28 -10.875 5.715 2.447 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.051 6.296 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.731 3.963 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.246 4.190 3.766 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.566 2.626 2.138 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.969 6.153 0.793 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.416 6.467 -0.562 1.00 0.00 C ATOM 1438 C ASN A 29 -7.021 5.561 -1.635 1.00 0.00 C ATOM 1439 O ASN A 29 -7.155 5.955 -2.777 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.901 6.248 -0.534 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.282 6.720 -1.852 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -3.831 7.940 -1.945 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -4.197 5.966 -2.800 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.268 6.023 1.523 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.661 7.501 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.461 6.794 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.680 5.192 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.550 5.012 -2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.772 6.287 -3.670 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.386 4.366 -1.301 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.974 3.473 -2.333 1.00 0.00 C ATOM 1452 C ALA A 30 -9.391 3.949 -2.697 1.00 0.00 C ATOM 1453 O ALA A 30 -9.714 4.119 -3.856 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.015 2.054 -1.792 1.00 0.00 C ATOM 0 H ALA A 30 -7.306 3.966 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.362 3.499 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.445 1.391 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.003 1.726 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.626 2.026 -0.890 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.245 4.154 -1.724 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.636 4.609 -2.041 1.00 0.00 C ATOM 1462 C CYS A 31 -11.584 5.936 -2.787 1.00 0.00 C ATOM 1463 O CYS A 31 -12.310 6.159 -3.718 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.441 4.827 -0.757 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.924 3.249 -0.039 1.00 0.00 S ATOM 0 H CYS A 31 -10.042 4.028 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.110 3.839 -2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.846 5.393 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.329 5.421 -0.974 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.958 2.797 0.705 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.746 6.827 -2.383 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.700 8.132 -3.085 1.00 0.00 C ATOM 1472 C GLY A 32 -10.486 7.905 -4.581 1.00 0.00 C ATOM 1473 O GLY A 32 -11.150 8.497 -5.409 1.00 0.00 O ATOM 0 H GLY A 32 -10.094 6.717 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.629 8.678 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.894 8.745 -2.681 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.559 7.062 -4.935 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.293 6.805 -6.378 1.00 0.00 C ATOM 1479 C LEU A 33 -10.420 5.965 -6.993 1.00 0.00 C ATOM 1480 O LEU A 33 -10.995 6.331 -7.998 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.964 6.056 -6.506 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.834 6.886 -5.873 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.545 6.048 -5.820 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.589 8.166 -6.696 1.00 0.00 C ATOM 0 H LEU A 33 -8.972 6.538 -4.286 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.244 7.755 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.034 5.086 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.743 5.866 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.125 7.168 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.746 6.638 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.717 5.154 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.258 5.758 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.787 8.745 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.306 7.896 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.500 8.764 -6.719 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.743 4.844 -6.407 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.831 3.997 -6.981 1.00 0.00 C ATOM 1498 C TYR A 34 -13.138 4.782 -7.014 1.00 0.00 C ATOM 1499 O TYR A 34 -13.874 4.745 -7.979 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.024 2.746 -6.121 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.162 1.926 -6.682 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.479 2.213 -6.306 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.903 0.882 -7.580 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.538 1.460 -6.826 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.964 0.126 -8.098 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.280 0.416 -7.721 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.323 -0.324 -8.237 1.00 0.00 O ATOM 0 H TYR A 34 -10.305 4.479 -5.561 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.552 3.707 -7.994 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.108 2.156 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.238 3.029 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.679 3.017 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.887 0.660 -7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.554 1.685 -6.537 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.766 -0.681 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.970 -1.009 -8.843 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.437 5.479 -5.958 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.700 6.260 -5.906 1.00 0.00 C ATOM 1519 C TYR A 35 -14.671 7.348 -6.979 1.00 0.00 C ATOM 1520 O TYR A 35 -15.592 7.525 -7.728 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.843 6.910 -4.522 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.279 7.306 -4.303 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.731 8.551 -4.738 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.154 6.420 -3.665 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.067 8.918 -4.536 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.489 6.780 -3.462 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.949 8.032 -3.898 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.266 8.392 -3.698 1.00 0.00 O ATOM 0 H TYR A 35 -12.856 5.542 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.546 5.596 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.524 6.214 -3.746 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.198 7.785 -4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.052 9.231 -5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.798 5.457 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.419 9.883 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.165 6.096 -2.971 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.739 7.664 -3.244 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.618 8.085 -7.060 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.557 9.156 -8.086 1.00 0.00 C ATOM 1540 C LYS A 36 -13.692 8.547 -9.482 1.00 0.00 C ATOM 1541 O LYS A 36 -14.350 9.095 -10.345 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.199 9.850 -7.953 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.974 10.826 -9.105 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.730 11.671 -8.807 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.464 10.787 -8.764 1.00 0.00 C ATOM 1546 NZ LYS A 36 -9.110 10.507 -7.343 1.00 0.00 N ATOM 0 H LYS A 36 -12.794 7.999 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.368 9.870 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.150 10.383 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.404 9.104 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.844 10.281 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.845 11.469 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.616 12.440 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.853 12.184 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.639 9.853 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.637 11.290 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.075 10.486 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.503 11.253 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.505 9.587 -7.062 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.066 7.436 -9.720 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.147 6.819 -11.071 1.00 0.00 C ATOM 1562 C LEU A 37 -14.535 6.197 -11.321 1.00 0.00 C ATOM 1563 O LEU A 37 -15.093 6.354 -12.389 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.050 5.740 -11.202 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.741 6.349 -11.741 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.089 7.249 -10.687 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.778 5.216 -12.098 1.00 0.00 C ATOM 0 H LEU A 37 -12.501 6.926 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.994 7.597 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.869 5.280 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.390 4.949 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.967 6.950 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.166 7.669 -11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.772 8.057 -10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.864 6.662 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.848 5.636 -12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.569 4.622 -11.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.230 4.581 -12.860 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.083 5.467 -10.372 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.420 4.808 -10.596 1.00 0.00 C ATOM 1581 C HIS A 38 -17.531 5.480 -9.776 1.00 0.00 C ATOM 1582 O HIS A 38 -18.694 5.204 -9.978 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.315 3.336 -10.197 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.353 2.645 -11.120 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.775 1.850 -12.174 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.984 2.640 -11.172 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.677 1.404 -12.811 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.559 1.856 -12.240 1.00 0.00 N ATOM 0 H HIS A 38 -14.666 5.299 -9.456 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.679 4.906 -11.650 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.974 3.249 -9.165 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.295 2.861 -10.250 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.334 3.165 -10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.698 0.760 -13.678 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.598 1.667 -12.525 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.204 6.365 -8.874 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.244 7.066 -8.054 1.00 0.00 C ATOM 1598 C GLN A 39 -19.364 6.111 -7.609 1.00 0.00 C ATOM 1599 O GLN A 39 -20.540 6.380 -7.737 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.762 8.282 -8.829 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.637 9.165 -7.932 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.001 10.443 -8.686 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.327 11.448 -8.569 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.038 10.442 -9.477 1.00 0.00 N ATOM 0 H GLN A 39 -16.244 6.639 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.793 7.424 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.921 8.862 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.337 7.950 -9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.541 8.628 -7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.105 9.410 -7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.604 9.599 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.283 11.284 -9.997 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.974 5.012 -7.023 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.937 4.027 -6.471 1.00 0.00 C ATOM 1615 C VAL A 40 -19.241 3.354 -5.291 1.00 0.00 C ATOM 1616 O VAL A 40 -18.030 3.344 -5.214 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.321 2.974 -7.504 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.210 3.608 -8.578 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.061 2.363 -8.138 1.00 0.00 C ATOM 0 H VAL A 40 -17.995 4.752 -6.902 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.856 4.531 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.876 2.175 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.484 2.854 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.113 4.006 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.667 4.416 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.351 1.613 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.483 3.147 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.454 1.895 -7.363 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.969 2.812 -4.358 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.290 2.172 -3.185 1.00 0.00 C ATOM 1631 C ASN A 41 -18.913 0.714 -3.505 1.00 0.00 C ATOM 1632 O ASN A 41 -19.747 -0.088 -3.874 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.214 2.223 -1.962 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.596 1.669 -2.315 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.935 1.532 -3.475 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.417 1.348 -1.352 1.00 0.00 N ATOM 0 H ASN A 41 -20.988 2.781 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.374 2.722 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.781 1.644 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.306 3.251 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.343 0.982 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.132 1.463 -0.379 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.649 0.370 -3.362 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.198 -1.031 -3.653 1.00 0.00 C ATOM 1645 C ARG A 42 -17.302 -1.880 -2.366 1.00 0.00 C ATOM 1646 O ARG A 42 -16.731 -1.513 -1.358 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.720 -1.000 -4.096 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.208 -2.431 -4.453 1.00 0.00 C ATOM 1649 CD ARG A 42 -15.417 -2.764 -5.960 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.098 -2.979 -6.655 1.00 0.00 N ATOM 1651 CZ ARG A 42 -13.088 -2.157 -6.499 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -13.223 -1.069 -5.798 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.943 -2.417 -7.068 1.00 0.00 N ATOM 0 H ARG A 42 -16.910 1.003 -3.055 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.823 -1.460 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.610 -0.345 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.107 -0.580 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.149 -2.509 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.732 -3.167 -3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.032 -3.658 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.958 -1.951 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.987 -3.789 -7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.120 -0.850 -5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.432 -0.436 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.834 -3.259 -7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.157 -1.778 -6.947 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.980 -3.017 -2.374 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.047 -3.850 -1.144 1.00 0.00 C ATOM 1669 C PRO A 43 -16.651 -4.051 -0.530 1.00 0.00 C ATOM 1670 O PRO A 43 -15.648 -4.003 -1.214 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.663 -5.166 -1.654 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.229 -4.916 -3.066 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.714 -3.550 -3.563 1.00 0.00 C ATOM 0 HA PRO A 43 -18.631 -3.400 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.910 -5.954 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.452 -5.502 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.917 -5.709 -3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.319 -4.925 -3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.059 -3.655 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.532 -2.894 -3.860 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.586 -4.244 0.755 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.265 -4.416 1.434 1.00 0.00 C ATOM 1683 C LEU A 44 -14.573 -5.706 0.976 1.00 0.00 C ATOM 1684 O LEU A 44 -13.827 -6.311 1.719 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.493 -4.490 2.952 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.708 -3.084 3.525 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.115 -2.584 3.189 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.531 -3.130 5.045 1.00 0.00 C ATOM 0 H LEU A 44 -17.396 -4.291 1.373 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.629 -3.569 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.360 -5.115 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.635 -4.959 3.433 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.979 -2.403 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.254 -1.585 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.240 -2.550 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.854 -3.260 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.683 -2.133 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.260 -3.817 5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.524 -3.473 5.284 1.00 0.00 H new ATOM 1700 N THR A 45 -14.808 -6.145 -0.221 1.00 0.00 N ATOM 1701 CA THR A 45 -14.155 -7.403 -0.674 1.00 0.00 C ATOM 1702 C THR A 45 -12.642 -7.197 -0.816 1.00 0.00 C ATOM 1703 O THR A 45 -11.890 -8.149 -0.884 1.00 0.00 O ATOM 1704 CB THR A 45 -14.742 -7.822 -2.025 1.00 0.00 C ATOM 1705 OG1 THR A 45 -13.864 -8.743 -2.653 1.00 0.00 O ATOM 1706 CG2 THR A 45 -14.918 -6.592 -2.918 1.00 0.00 C ATOM 0 H THR A 45 -15.418 -5.695 -0.903 1.00 0.00 H new ATOM 0 HA THR A 45 -14.337 -8.182 0.066 1.00 0.00 H new ATOM 0 HB THR A 45 -15.713 -8.291 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.238 -9.014 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.336 -6.896 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.594 -5.886 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.950 -6.117 -3.078 1.00 0.00 H new ATOM 1714 N MET A 46 -12.190 -5.965 -0.893 1.00 0.00 N ATOM 1715 CA MET A 46 -10.715 -5.707 -1.069 1.00 0.00 C ATOM 1716 C MET A 46 -10.063 -5.197 0.232 1.00 0.00 C ATOM 1717 O MET A 46 -8.863 -5.022 0.290 1.00 0.00 O ATOM 1718 CB MET A 46 -10.525 -4.667 -2.183 1.00 0.00 C ATOM 1719 CG MET A 46 -10.878 -5.291 -3.537 1.00 0.00 C ATOM 1720 SD MET A 46 -10.990 -4.000 -4.810 1.00 0.00 S ATOM 1721 CE MET A 46 -9.219 -3.723 -5.089 1.00 0.00 C ATOM 0 H MET A 46 -12.772 -5.129 -0.842 1.00 0.00 H new ATOM 0 HA MET A 46 -10.230 -6.647 -1.333 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.158 -3.799 -1.996 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.494 -4.314 -2.192 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.121 -6.024 -3.817 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.826 -5.824 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.993 -2.664 -4.967 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.642 -4.303 -4.368 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.957 -4.036 -6.100 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.824 -4.945 1.267 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.201 -4.433 2.534 1.00 0.00 C ATOM 1733 C ARG A 47 -9.624 -5.575 3.372 1.00 0.00 C ATOM 1734 O ARG A 47 -10.207 -6.634 3.497 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.240 -3.695 3.375 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.982 -2.683 2.507 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.015 -1.664 1.918 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.336 -2.249 0.730 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.652 -1.481 -0.068 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.557 -0.209 0.184 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -9.054 -1.985 -1.110 1.00 0.00 N ATOM 0 H ARG A 47 -11.836 -5.068 1.295 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.396 -3.756 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.946 -4.406 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.753 -3.187 4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.506 -3.201 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.738 -2.172 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.553 -0.760 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.277 -1.374 2.665 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.406 -3.249 0.542 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.018 0.184 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.022 0.396 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.121 -2.984 -1.303 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.519 -1.380 -1.733 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.483 -5.341 3.964 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.827 -6.369 4.832 1.00 0.00 C ATOM 1757 C LYS A 48 -7.340 -5.699 6.117 1.00 0.00 C ATOM 1758 O LYS A 48 -7.175 -4.496 6.170 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.646 -6.989 4.087 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.173 -7.857 2.946 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.999 -8.483 2.193 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.534 -9.373 1.071 1.00 0.00 C ATOM 1763 NZ LYS A 48 -7.177 -10.579 1.665 1.00 0.00 N ATOM 0 H LYS A 48 -7.967 -4.465 3.882 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.541 -7.155 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.997 -6.206 3.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.045 -7.590 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.823 -8.638 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.775 -7.255 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.360 -7.703 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.385 -9.070 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.255 -8.822 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.722 -9.669 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.267 -11.318 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.593 -10.933 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.121 -10.329 2.023 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.127 -6.457 7.161 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.670 -5.850 8.446 1.00 0.00 C ATOM 1779 C ASP A 49 -5.546 -4.844 8.183 1.00 0.00 C ATOM 1780 O ASP A 49 -5.777 -3.657 8.079 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.164 -6.956 9.381 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.527 -6.329 10.624 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.253 -6.065 11.568 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.324 -6.122 10.608 1.00 0.00 O ATOM 0 H ASP A 49 -7.250 -7.469 7.179 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.507 -5.330 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.990 -7.606 9.672 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.436 -7.579 8.862 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.332 -5.306 8.077 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.204 -4.367 7.826 1.00 0.00 C ATOM 1791 C GLY A 50 -3.288 -3.844 6.394 1.00 0.00 C ATOM 1792 O GLY A 50 -4.237 -4.106 5.681 1.00 0.00 O ATOM 0 H GLY A 50 -4.072 -6.289 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.244 -3.537 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.252 -4.874 7.984 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.297 -3.112 5.959 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.309 -2.579 4.571 1.00 0.00 C ATOM 1798 C ILE A 51 -1.611 -3.572 3.635 1.00 0.00 C ATOM 1799 O ILE A 51 -0.716 -4.293 4.030 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.584 -1.236 4.546 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.277 -0.298 5.546 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.653 -0.653 3.128 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.755 1.127 5.387 1.00 0.00 C ATOM 0 H ILE A 51 -1.477 -2.861 6.511 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.337 -2.440 4.235 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.537 -1.355 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.355 -0.317 5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.100 -0.646 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.137 0.307 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.176 -1.340 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.696 -0.511 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.255 1.780 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.681 1.144 5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.955 1.477 4.374 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.008 -3.596 2.393 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.364 -4.521 1.417 1.00 0.00 C ATOM 1817 C GLN A 52 -0.035 -3.905 0.970 1.00 0.00 C ATOM 1818 O GLN A 52 0.122 -2.704 0.972 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.281 -4.700 0.201 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.516 -5.509 0.596 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.471 -5.606 -0.598 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.253 -6.532 -0.691 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.454 -4.673 -1.515 1.00 0.00 N ATOM 0 H GLN A 52 -2.753 -3.013 2.010 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.190 -5.493 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.582 -3.726 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.743 -5.208 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.221 -6.507 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.019 -5.035 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.799 -3.895 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.096 -4.724 -2.306 1.00 0.00 H new ATOM 1832 N THR A 53 0.944 -4.705 0.634 1.00 0.00 N ATOM 1833 CA THR A 53 2.266 -4.125 0.231 1.00 0.00 C ATOM 1834 C THR A 53 2.935 -4.971 -0.859 1.00 0.00 C ATOM 1835 O THR A 53 2.593 -6.115 -1.086 1.00 0.00 O ATOM 1836 CB THR A 53 3.171 -4.050 1.462 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.531 -4.029 1.057 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.916 -5.259 2.355 1.00 0.00 C ATOM 0 H THR A 53 0.890 -5.723 0.620 1.00 0.00 H new ATOM 0 HA THR A 53 2.102 -3.127 -0.176 1.00 0.00 H new ATOM 0 HB THR A 53 2.951 -3.138 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.107 -3.979 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.561 -5.206 3.232 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.873 -5.264 2.671 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.132 -6.173 1.801 1.00 0.00 H new ATOM 1846 N ARG A 54 3.895 -4.392 -1.527 1.00 0.00 N ATOM 1847 CA ARG A 54 4.628 -5.112 -2.611 1.00 0.00 C ATOM 1848 C ARG A 54 6.047 -4.570 -2.742 1.00 0.00 C ATOM 1849 O ARG A 54 6.359 -3.489 -2.284 1.00 0.00 O ATOM 1850 CB ARG A 54 3.904 -4.939 -3.952 1.00 0.00 C ATOM 1851 CG ARG A 54 2.586 -5.724 -3.941 1.00 0.00 C ATOM 1852 CD ARG A 54 2.077 -5.890 -5.374 1.00 0.00 C ATOM 1853 NE ARG A 54 2.959 -6.850 -6.097 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.564 -7.377 -7.224 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.411 -7.040 -7.730 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.326 -8.236 -7.847 1.00 0.00 N ATOM 0 H ARG A 54 4.208 -3.435 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 54 4.664 -6.170 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.706 -3.883 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.539 -5.290 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.737 -6.701 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.844 -5.200 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.050 -6.254 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.071 -4.927 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 54 3.871 -7.095 -5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.819 -6.365 -7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.101 -7.451 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.230 -8.495 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.017 -8.647 -8.728 1.00 0.00 H new ATOM 1870 N ASN A 55 6.908 -5.316 -3.375 1.00 0.00 N ATOM 1871 CA ASN A 55 8.308 -4.851 -3.549 1.00 0.00 C ATOM 1872 C ASN A 55 8.294 -3.428 -4.120 1.00 0.00 C ATOM 1873 O ASN A 55 7.425 -3.062 -4.887 1.00 0.00 O ATOM 1874 CB ASN A 55 9.046 -5.806 -4.494 1.00 0.00 C ATOM 1875 CG ASN A 55 8.494 -5.681 -5.916 1.00 0.00 C ATOM 1876 OD1 ASN A 55 7.488 -5.040 -6.140 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.117 -6.280 -6.894 1.00 0.00 N ATOM 0 H ASN A 55 6.700 -6.229 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 55 8.825 -4.842 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.112 -5.580 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.936 -6.832 -4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.758 -6.209 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.962 -6.819 -6.706 1.00 0.00 H new ATOM 1884 N ARG A 56 9.231 -2.614 -3.722 1.00 0.00 N ATOM 1885 CA ARG A 56 9.260 -1.199 -4.212 1.00 0.00 C ATOM 1886 C ARG A 56 9.429 -1.176 -5.734 1.00 0.00 C ATOM 1887 O ARG A 56 10.380 -1.706 -6.271 1.00 0.00 O ATOM 1888 CB ARG A 56 10.446 -0.462 -3.568 1.00 0.00 C ATOM 1889 CG ARG A 56 10.325 1.065 -3.804 1.00 0.00 C ATOM 1890 CD ARG A 56 9.466 1.749 -2.704 1.00 0.00 C ATOM 1891 NE ARG A 56 10.266 2.797 -1.975 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.450 2.548 -1.465 1.00 0.00 C ATOM 1893 NH1 ARG A 56 11.986 1.363 -1.559 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.096 3.499 -0.845 1.00 0.00 N ATOM 0 H ARG A 56 9.981 -2.864 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 56 8.324 -0.710 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.474 -0.670 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.382 -0.829 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.319 1.511 -3.819 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.878 1.248 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.586 2.206 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.109 1.000 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 56 9.874 3.733 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.485 0.613 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.907 1.186 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.680 4.426 -0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.016 3.314 -0.446 1.00 0.00 H new ATOM 1908 N LYS A 57 8.513 -0.560 -6.434 1.00 0.00 N ATOM 1909 CA LYS A 57 8.624 -0.502 -7.918 1.00 0.00 C ATOM 1910 C LYS A 57 9.901 0.238 -8.317 1.00 0.00 C ATOM 1911 O LYS A 57 10.756 0.513 -7.498 1.00 0.00 O ATOM 1912 CB LYS A 57 7.410 0.207 -8.500 1.00 0.00 C ATOM 1913 CG LYS A 57 7.384 1.649 -8.027 1.00 0.00 C ATOM 1914 CD LYS A 57 6.037 2.260 -8.401 1.00 0.00 C ATOM 1915 CE LYS A 57 6.074 3.775 -8.178 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.814 4.390 -8.686 1.00 0.00 N ATOM 0 H LYS A 57 7.694 -0.096 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 57 8.665 -1.518 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.444 0.172 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.497 -0.303 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.534 1.696 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.196 2.213 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.806 2.042 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.245 1.814 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.194 3.993 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.933 4.207 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.843 5.418 -8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.717 4.194 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.001 3.987 -8.177 1.00 0.00 H new ATOM 1930 N VAL A 58 10.039 0.553 -9.575 1.00 0.00 N ATOM 1931 CA VAL A 58 11.258 1.266 -10.044 1.00 0.00 C ATOM 1932 C VAL A 58 11.391 2.592 -9.306 1.00 0.00 C ATOM 1933 O VAL A 58 10.411 3.190 -8.906 1.00 0.00 O ATOM 1934 CB VAL A 58 11.117 1.555 -11.534 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.987 0.240 -12.303 1.00 0.00 C ATOM 1936 CG2 VAL A 58 9.871 2.418 -11.760 1.00 0.00 C ATOM 0 H VAL A 58 9.355 0.345 -10.302 1.00 0.00 H new ATOM 0 HA VAL A 58 12.135 0.648 -9.855 1.00 0.00 H new ATOM 0 HB VAL A 58 11.998 2.087 -11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.886 0.450 -13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.875 -0.369 -12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.106 -0.300 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.763 2.629 -12.824 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.989 1.884 -11.405 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.973 3.355 -11.213 1.00 0.00 H new