USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=23 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 159:sc= -0.0342! USER MOD Set 1.2: A 10 CYS SG : rot -54:sc= -5.58! USER MOD Set 1.3: A 28 CYS SG : rot -124:sc= 0.784 USER MOD Set 1.4: A 31 CYS SG : rot 148:sc= -2.8! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 85:sc= 0.0164 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.34 F(o=-2.4!,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 56:sc= 0.125 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.768 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0059 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -111:sc= 0 (180deg=-0.112) USER MOD Single : A 29 ASN :FLIP amide:sc= -4.31! C(o=-13!,f=-4.3!) USER MOD Single : A 34 TYR OH : rot 0:sc= -1.41 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= -0.713 (180deg=-1.29) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.2 F(o=-3.8!,f=-1.2) USER MOD Single : A 39 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.2!) USER MOD Single : A 41 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.4!) USER MOD Single : A 45 THR OG1 : rot 6:sc= 0.618! USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.153 F(o=-1.3,f=-0.15) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0104 F(o=-0.63,f=-0.01) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -5.667 10.125 13.739 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.177 9.341 14.904 1.00 0.00 C ATOM 1070 C ALA A 3 -7.702 9.195 14.847 1.00 0.00 C ATOM 1071 O ALA A 3 -8.427 10.170 14.840 1.00 0.00 O ATOM 1072 CB ALA A 3 -5.813 10.081 16.193 1.00 0.00 C ATOM 0 HA ALA A 3 -5.726 8.349 14.876 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.180 9.519 17.051 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.730 10.182 16.261 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.270 11.071 16.186 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.193 7.984 14.836 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.672 7.771 14.816 1.00 0.00 C ATOM 1080 C GLY A 4 -10.212 7.864 13.387 1.00 0.00 C ATOM 1081 O GLY A 4 -11.355 7.537 13.128 1.00 0.00 O ATOM 0 H GLY A 4 -7.634 7.131 14.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.910 6.794 15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.160 8.516 15.444 1.00 0.00 H new ATOM 1085 N THR A 5 -9.417 8.318 12.461 1.00 0.00 N ATOM 1086 CA THR A 5 -9.912 8.444 11.061 1.00 0.00 C ATOM 1087 C THR A 5 -10.295 7.080 10.510 1.00 0.00 C ATOM 1088 O THR A 5 -9.476 6.189 10.393 1.00 0.00 O ATOM 1089 CB THR A 5 -8.827 9.035 10.172 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.248 10.156 10.821 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.443 9.473 8.836 1.00 0.00 C ATOM 0 H THR A 5 -8.450 8.606 12.610 1.00 0.00 H new ATOM 0 HA THR A 5 -10.785 9.097 11.069 1.00 0.00 H new ATOM 0 HB THR A 5 -8.057 8.286 9.985 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.548 10.538 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.667 9.896 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.889 8.610 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.212 10.224 9.019 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.533 6.933 10.134 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.015 5.656 9.538 1.00 0.00 C ATOM 1101 C VAL A 6 -12.569 5.993 8.162 1.00 0.00 C ATOM 1102 O VAL A 6 -13.180 7.026 7.973 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.112 5.057 10.414 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.521 4.665 11.775 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.222 6.092 10.610 1.00 0.00 C ATOM 0 H VAL A 6 -12.246 7.658 10.216 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.208 4.927 9.464 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.525 4.170 9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.303 4.237 12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.730 3.930 11.630 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.110 5.549 12.261 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.008 5.669 11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.812 6.978 11.094 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.638 6.367 9.641 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.363 5.162 7.192 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.881 5.474 5.840 1.00 0.00 C ATOM 1117 C CYS A 7 -14.393 5.524 5.856 1.00 0.00 C ATOM 1118 O CYS A 7 -15.067 4.544 6.086 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.394 4.400 4.888 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.848 4.803 3.188 1.00 0.00 S ATOM 0 H CYS A 7 -11.858 4.279 7.274 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.520 6.450 5.515 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.311 4.300 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.824 3.438 5.166 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.070 4.161 2.367 1.00 0.00 H new ATOM 1125 N SER A 8 -14.929 6.672 5.604 1.00 0.00 N ATOM 1126 CA SER A 8 -16.397 6.812 5.590 1.00 0.00 C ATOM 1127 C SER A 8 -16.980 5.887 4.524 1.00 0.00 C ATOM 1128 O SER A 8 -18.019 5.287 4.716 1.00 0.00 O ATOM 1129 CB SER A 8 -16.755 8.263 5.274 1.00 0.00 C ATOM 1130 OG SER A 8 -16.325 9.086 6.349 1.00 0.00 O ATOM 0 H SER A 8 -14.409 7.527 5.405 1.00 0.00 H new ATOM 0 HA SER A 8 -16.809 6.541 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.278 8.576 4.345 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.831 8.363 5.129 1.00 0.00 H new ATOM 0 HG SER A 8 -15.380 9.315 6.228 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.339 5.784 3.382 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.893 4.916 2.306 1.00 0.00 C ATOM 1138 C ASN A 9 -16.749 3.425 2.631 1.00 0.00 C ATOM 1139 O ASN A 9 -17.644 2.661 2.330 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.158 5.209 0.997 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.549 6.597 0.489 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.444 7.290 1.139 1.00 0.00 O flip ATOM 1143 ND2 ASN A 9 -16.036 7.056 -0.512 1.00 0.00 N flip ATOM 0 H ASN A 9 -15.466 6.260 3.155 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.956 5.139 2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.081 5.158 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.407 4.454 0.251 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.337 6.515 -1.020 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.305 7.982 -0.844 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.639 2.972 3.207 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.504 1.495 3.485 1.00 0.00 C ATOM 1152 C CYS A 10 -15.065 1.214 4.933 1.00 0.00 C ATOM 1153 O CYS A 10 -14.733 0.095 5.271 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.539 0.844 2.474 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.814 1.131 2.934 1.00 0.00 S ATOM 0 H CYS A 10 -14.845 3.547 3.488 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.490 1.046 3.364 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.731 -0.228 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.724 1.248 1.479 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.614 2.405 3.096 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.112 2.191 5.802 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.764 1.970 7.244 1.00 0.00 C ATOM 1162 C GLN A 11 -13.361 1.389 7.458 1.00 0.00 C ATOM 1163 O GLN A 11 -12.969 1.144 8.581 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.805 1.040 7.868 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.181 1.708 7.800 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.231 0.786 8.421 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.213 0.539 9.609 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.152 0.260 7.659 1.00 0.00 N ATOM 0 H GLN A 11 -15.380 3.148 5.573 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.766 2.948 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.823 0.087 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.543 0.824 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.160 2.661 8.329 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.440 1.925 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.167 0.467 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.856 -0.358 8.062 1.00 0.00 H new ATOM 1177 N THR A 12 -12.584 1.172 6.436 1.00 0.00 N ATOM 1178 CA THR A 12 -11.221 0.620 6.689 1.00 0.00 C ATOM 1179 C THR A 12 -10.414 1.665 7.482 1.00 0.00 C ATOM 1180 O THR A 12 -10.737 2.836 7.456 1.00 0.00 O ATOM 1181 CB THR A 12 -10.533 0.294 5.353 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.373 -0.484 5.601 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.137 1.573 4.624 1.00 0.00 C ATOM 0 H THR A 12 -12.822 1.346 5.460 1.00 0.00 H new ATOM 0 HA THR A 12 -11.285 -0.302 7.266 1.00 0.00 H new ATOM 0 HB THR A 12 -11.231 -0.262 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.933 -0.695 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.652 1.319 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.028 2.169 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.448 2.147 5.244 1.00 0.00 H new ATOM 1191 N SER A 13 -9.373 1.264 8.182 1.00 0.00 N ATOM 1192 CA SER A 13 -8.555 2.260 8.972 1.00 0.00 C ATOM 1193 C SER A 13 -7.063 2.034 8.703 1.00 0.00 C ATOM 1194 O SER A 13 -6.213 2.613 9.352 1.00 0.00 O ATOM 1195 CB SER A 13 -8.846 2.091 10.464 1.00 0.00 C ATOM 1196 OG SER A 13 -10.239 1.876 10.648 1.00 0.00 O ATOM 0 H SER A 13 -9.053 0.297 8.243 1.00 0.00 H new ATOM 0 HA SER A 13 -8.822 3.272 8.666 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.280 1.249 10.864 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.528 2.978 11.011 1.00 0.00 H new ATOM 0 HG SER A 13 -10.430 1.766 11.603 1.00 0.00 H new ATOM 1202 N THR A 14 -6.740 1.203 7.745 1.00 0.00 N ATOM 1203 CA THR A 14 -5.306 0.930 7.410 1.00 0.00 C ATOM 1204 C THR A 14 -4.992 1.562 6.058 1.00 0.00 C ATOM 1205 O THR A 14 -4.486 0.936 5.162 1.00 0.00 O ATOM 1206 CB THR A 14 -5.094 -0.581 7.333 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.533 -1.053 6.067 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.903 -1.257 8.441 1.00 0.00 C ATOM 0 H THR A 14 -7.415 0.695 7.173 1.00 0.00 H new ATOM 0 HA THR A 14 -4.650 1.350 8.173 1.00 0.00 H new ATOM 0 HB THR A 14 -4.037 -0.814 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.064 -0.568 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.756 -2.336 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.569 -0.889 9.411 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.961 -1.028 8.310 1.00 0.00 H new ATOM 1216 N THR A 15 -5.364 2.786 5.894 1.00 0.00 N ATOM 1217 CA THR A 15 -5.162 3.476 4.585 1.00 0.00 C ATOM 1218 C THR A 15 -3.711 3.896 4.393 1.00 0.00 C ATOM 1219 O THR A 15 -3.030 4.262 5.331 1.00 0.00 O ATOM 1220 CB THR A 15 -6.013 4.742 4.579 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.312 5.783 5.249 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.299 4.464 5.327 1.00 0.00 C ATOM 0 H THR A 15 -5.807 3.356 6.615 1.00 0.00 H new ATOM 0 HA THR A 15 -5.440 2.788 3.787 1.00 0.00 H new ATOM 0 HB THR A 15 -6.226 5.041 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.924 6.253 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.919 5.361 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.837 3.653 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.068 4.177 6.353 1.00 0.00 H new ATOM 1230 N THR A 16 -3.247 3.904 3.171 1.00 0.00 N ATOM 1231 CA THR A 16 -1.861 4.371 2.923 1.00 0.00 C ATOM 1232 C THR A 16 -1.892 5.900 2.994 1.00 0.00 C ATOM 1233 O THR A 16 -0.980 6.530 3.492 1.00 0.00 O ATOM 1234 CB THR A 16 -1.368 3.933 1.531 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.230 4.467 0.538 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.336 2.402 1.410 1.00 0.00 C ATOM 0 H THR A 16 -3.766 3.609 2.344 1.00 0.00 H new ATOM 0 HA THR A 16 -1.182 3.944 3.661 1.00 0.00 H new ATOM 0 HB THR A 16 -0.354 4.309 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.918 4.191 -0.349 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.984 2.123 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.663 1.992 2.162 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.339 2.004 1.565 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.960 6.503 2.509 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.069 7.998 2.561 1.00 0.00 C ATOM 1246 C LEU A 17 -4.552 8.396 2.705 1.00 0.00 C ATOM 1247 O LEU A 17 -5.406 7.902 1.992 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.486 8.621 1.274 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.839 9.981 1.588 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.451 9.779 2.233 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.703 10.786 0.290 1.00 0.00 C ATOM 0 H LEU A 17 -3.754 6.025 2.083 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.504 8.368 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.746 7.950 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.275 8.748 0.533 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.469 10.525 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.006 10.750 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.559 9.215 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.193 9.229 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.245 11.751 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.078 10.238 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.690 10.942 -0.146 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.861 9.283 3.615 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.278 9.718 3.798 1.00 0.00 C ATOM 1265 C TRP A 18 -6.633 10.786 2.754 1.00 0.00 C ATOM 1266 O TRP A 18 -5.923 11.757 2.586 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.425 10.329 5.194 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.406 9.244 6.221 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.406 9.020 7.103 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.415 8.228 6.483 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.743 7.931 7.890 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.971 7.413 7.548 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.661 7.940 5.907 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.736 6.350 8.026 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.430 6.870 6.383 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.970 6.078 7.438 1.00 0.00 C ATOM 0 H TRP A 18 -4.190 9.727 4.242 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.941 8.861 3.681 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.615 11.034 5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.357 10.890 5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.495 9.595 7.181 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.152 7.558 8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.029 8.546 5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.376 5.743 8.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.387 6.656 5.930 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.570 5.255 7.798 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.728 10.612 2.052 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.145 11.611 1.013 1.00 0.00 C ATOM 1289 C ARG A 19 -9.481 12.238 1.429 1.00 0.00 C ATOM 1290 O ARG A 19 -10.448 11.538 1.623 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.368 10.894 -0.341 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.295 9.837 -0.597 1.00 0.00 C ATOM 1293 CD ARG A 19 -5.971 10.515 -0.908 1.00 0.00 C ATOM 1294 NE ARG A 19 -4.938 9.471 -1.160 1.00 0.00 N ATOM 1295 CZ ARG A 19 -3.803 9.779 -1.728 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.562 11.003 -2.113 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -2.906 8.851 -1.904 1.00 0.00 N ATOM 0 H ARG A 19 -8.356 9.815 2.154 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.368 12.370 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.352 10.425 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.359 11.627 -1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.189 9.194 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.592 9.198 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.074 11.160 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.669 11.150 -0.075 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.119 8.505 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.264 11.730 -1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.672 11.233 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.094 7.896 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.016 9.079 -2.346 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.584 13.527 1.555 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.913 14.092 1.931 1.00 0.00 C ATOM 1313 C ARG A 20 -11.818 14.012 0.691 1.00 0.00 C ATOM 1314 O ARG A 20 -11.367 14.178 -0.425 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.757 15.547 2.391 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.884 15.611 3.657 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.704 15.211 4.891 1.00 0.00 C ATOM 1318 NE ARG A 20 -9.923 15.501 6.127 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.525 15.512 7.283 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.808 15.283 7.348 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.849 15.751 8.373 1.00 0.00 N ATOM 0 H ARG A 20 -8.831 14.202 1.419 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.351 13.529 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.304 16.141 1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.737 15.980 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.027 14.946 3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.490 16.619 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.646 15.759 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.953 14.151 4.847 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.922 15.690 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.337 15.096 6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.282 15.291 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.846 15.930 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.323 15.759 9.276 1.00 0.00 H new ATOM 1335 N SER A 21 -13.089 13.745 0.871 1.00 0.00 N ATOM 1336 CA SER A 21 -14.016 13.639 -0.307 1.00 0.00 C ATOM 1337 C SER A 21 -14.656 15.011 -0.589 1.00 0.00 C ATOM 1338 O SER A 21 -14.732 15.845 0.286 1.00 0.00 O ATOM 1339 CB SER A 21 -15.094 12.586 0.002 1.00 0.00 C ATOM 1340 OG SER A 21 -14.646 11.313 -0.447 1.00 0.00 O ATOM 0 H SER A 21 -13.527 13.596 1.780 1.00 0.00 H new ATOM 0 HA SER A 21 -13.463 13.332 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.295 12.557 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.030 12.850 -0.491 1.00 0.00 H new ATOM 0 HG SER A 21 -15.329 10.638 -0.251 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.109 15.252 -1.802 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.747 16.556 -2.143 1.00 0.00 C ATOM 1348 C PRO A 22 -16.828 16.973 -1.128 1.00 0.00 C ATOM 1349 O PRO A 22 -17.187 18.131 -1.034 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.361 16.270 -3.535 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.012 14.821 -3.937 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.014 14.265 -2.915 1.00 0.00 C ATOM 0 HA PRO A 22 -15.041 17.386 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.442 16.405 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.971 16.972 -4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.912 14.207 -3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.582 14.798 -4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.283 13.260 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.005 14.209 -3.323 1.00 0.00 H new ATOM 1360 N MET A 23 -17.356 16.037 -0.374 1.00 0.00 N ATOM 1361 CA MET A 23 -18.419 16.382 0.626 1.00 0.00 C ATOM 1362 C MET A 23 -17.787 16.568 2.006 1.00 0.00 C ATOM 1363 O MET A 23 -18.409 17.067 2.924 1.00 0.00 O ATOM 1364 CB MET A 23 -19.441 15.243 0.698 1.00 0.00 C ATOM 1365 CG MET A 23 -20.651 15.697 1.524 1.00 0.00 C ATOM 1366 SD MET A 23 -21.977 14.469 1.393 1.00 0.00 S ATOM 1367 CE MET A 23 -22.653 14.990 -0.208 1.00 0.00 C ATOM 0 H MET A 23 -17.098 15.051 -0.407 1.00 0.00 H new ATOM 0 HA MET A 23 -18.912 17.305 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.758 14.959 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.988 14.361 1.151 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.363 15.826 2.567 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.003 16.666 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 23 -23.641 15.427 -0.061 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.992 15.730 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 23 -22.733 14.126 -0.868 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.553 16.167 2.162 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.866 16.308 3.480 1.00 0.00 C ATOM 1379 C GLY A 24 -15.971 14.992 4.253 1.00 0.00 C ATOM 1380 O GLY A 24 -15.982 14.978 5.468 1.00 0.00 O ATOM 0 H GLY A 24 -15.987 15.744 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.819 16.572 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.319 17.116 4.054 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.053 13.882 3.564 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.160 12.560 4.248 1.00 0.00 C ATOM 1386 C ASP A 25 -14.802 11.822 4.165 1.00 0.00 C ATOM 1387 O ASP A 25 -14.405 11.410 3.093 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.210 11.730 3.506 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.556 12.456 3.563 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.632 13.469 4.239 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.487 11.986 2.931 1.00 0.00 O ATOM 0 H ASP A 25 -16.050 13.836 2.545 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.436 12.700 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.907 11.581 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.296 10.742 3.958 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.081 11.646 5.261 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.763 10.935 5.204 1.00 0.00 C ATOM 1398 C PRO A 26 -12.840 9.595 4.447 1.00 0.00 C ATOM 1399 O PRO A 26 -13.731 8.801 4.669 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.464 10.718 6.700 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.292 11.742 7.484 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.498 12.124 6.615 1.00 0.00 C ATOM 0 HA PRO A 26 -11.997 11.493 4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.724 9.703 7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.401 10.848 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.622 11.321 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.693 12.622 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.413 11.638 6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.684 13.198 6.627 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.890 9.330 3.578 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.891 8.019 2.836 1.00 0.00 C ATOM 1412 C VAL A 27 -10.470 7.473 2.712 1.00 0.00 C ATOM 1413 O VAL A 27 -9.503 8.202 2.810 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.497 8.167 1.439 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.010 8.358 1.563 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.858 9.362 0.727 1.00 0.00 C ATOM 0 H VAL A 27 -11.119 9.957 3.350 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.502 7.322 3.409 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.302 7.269 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.446 8.464 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.447 7.492 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.217 9.254 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.290 9.466 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.045 10.270 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.783 9.202 0.641 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.333 6.191 2.466 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.979 5.598 2.305 1.00 0.00 C ATOM 1428 C CYS A 28 -8.516 5.820 0.861 1.00 0.00 C ATOM 1429 O CYS A 28 -9.315 6.039 -0.028 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.011 4.099 2.671 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.904 3.122 1.427 1.00 0.00 S ATOM 0 H CYS A 28 -11.107 5.533 2.371 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.270 6.080 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.991 3.725 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.487 3.972 3.643 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.860 2.456 2.003 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.234 5.814 0.627 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.723 6.080 -0.752 1.00 0.00 C ATOM 1438 C ASN A 29 -7.442 5.221 -1.794 1.00 0.00 C ATOM 1439 O ASN A 29 -7.765 5.687 -2.869 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.223 5.778 -0.803 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.730 5.881 -2.250 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.355 7.037 -2.715 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -4.717 4.903 -2.971 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.516 5.637 1.329 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.911 7.128 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.678 6.480 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.029 4.779 -0.412 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.011 3.997 -2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.412 4.988 -3.941 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.674 3.978 -1.516 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.346 3.123 -2.528 1.00 0.00 C ATOM 1452 C ALA A 30 -9.743 3.685 -2.866 1.00 0.00 C ATOM 1453 O ALA A 30 -10.049 3.939 -4.014 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.446 1.706 -1.982 1.00 0.00 C ATOM 0 H ALA A 30 -7.431 3.516 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.764 3.113 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.938 1.067 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.446 1.323 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.026 1.712 -1.059 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.596 3.872 -1.889 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.967 4.410 -2.185 1.00 0.00 C ATOM 1462 C CYS A 31 -11.868 5.733 -2.938 1.00 0.00 C ATOM 1463 O CYS A 31 -12.521 5.951 -3.920 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.723 4.700 -0.882 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.274 3.168 -0.119 1.00 0.00 S ATOM 0 H CYS A 31 -10.408 3.678 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.488 3.659 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.077 5.244 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.581 5.340 -1.087 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.276 3.303 1.174 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.067 6.621 -2.466 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.965 7.937 -3.142 1.00 0.00 C ATOM 1472 C GLY A 32 -10.688 7.753 -4.631 1.00 0.00 C ATOM 1473 O GLY A 32 -11.346 8.339 -5.469 1.00 0.00 O ATOM 0 H GLY A 32 -10.476 6.502 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.891 8.496 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.168 8.525 -2.688 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.717 6.962 -4.978 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.407 6.777 -6.419 1.00 0.00 C ATOM 1479 C LEU A 33 -10.524 5.999 -7.125 1.00 0.00 C ATOM 1480 O LEU A 33 -11.062 6.450 -8.107 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.087 6.012 -6.558 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.916 6.861 -6.012 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.763 5.942 -5.585 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.403 7.814 -7.101 1.00 0.00 C ATOM 0 H LEU A 33 -9.127 6.438 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.323 7.759 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.146 5.069 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.910 5.766 -7.605 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.273 7.435 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.940 6.545 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.109 5.262 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.420 5.365 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.578 8.407 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.056 7.235 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.210 8.477 -7.414 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.882 4.839 -6.647 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.967 4.071 -7.333 1.00 0.00 C ATOM 1498 C TYR A 34 -13.263 4.884 -7.344 1.00 0.00 C ATOM 1499 O TYR A 34 -13.945 4.973 -8.343 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.218 2.739 -6.611 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.525 2.148 -7.103 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.613 1.604 -8.388 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.657 2.181 -6.281 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.832 1.086 -8.847 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.874 1.667 -6.740 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.962 1.119 -8.022 1.00 0.00 C ATOM 1507 OH TYR A 34 -17.163 0.613 -8.474 1.00 0.00 O ATOM 0 H TYR A 34 -10.479 4.392 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.650 3.874 -8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.397 2.047 -6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.259 2.897 -5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.742 1.583 -9.027 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.591 2.604 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.899 0.661 -9.838 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.746 1.694 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.052 0.272 -9.386 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.618 5.453 -6.237 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.880 6.226 -6.168 1.00 0.00 C ATOM 1519 C TYR A 35 -14.826 7.361 -7.194 1.00 0.00 C ATOM 1520 O TYR A 35 -15.780 7.642 -7.887 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.016 6.800 -4.750 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.438 7.190 -4.495 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.881 8.446 -4.894 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.310 6.294 -3.863 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.207 8.820 -4.667 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.636 6.657 -3.631 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.091 7.925 -4.033 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.402 8.290 -3.807 1.00 0.00 O ATOM 0 H TYR A 35 -13.085 5.417 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.737 5.589 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.695 6.061 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.365 7.667 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.201 9.131 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.955 5.322 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.555 9.794 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.310 5.967 -3.145 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.874 7.556 -3.362 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.713 8.012 -7.300 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.593 9.130 -8.272 1.00 0.00 C ATOM 1540 C LYS A 36 -13.883 8.628 -9.694 1.00 0.00 C ATOM 1541 O LYS A 36 -14.607 9.260 -10.437 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.161 9.668 -8.199 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.986 10.869 -9.130 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.500 11.128 -9.369 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.732 11.174 -8.040 1.00 0.00 C ATOM 1546 NZ LYS A 36 -10.446 12.054 -7.071 1.00 0.00 N ATOM 0 H LYS A 36 -12.873 7.820 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.310 9.914 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.928 9.959 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.458 8.882 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.489 10.681 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.452 11.751 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.088 10.345 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.372 12.071 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.637 10.169 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.721 11.547 -8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.752 12.606 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.074 12.702 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.010 11.469 -6.421 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.329 7.525 -10.095 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.592 7.042 -11.481 1.00 0.00 C ATOM 1562 C LEU A 37 -15.091 6.787 -11.669 1.00 0.00 C ATOM 1563 O LEU A 37 -15.717 7.372 -12.530 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.787 5.757 -11.719 1.00 0.00 C ATOM 1565 CG LEU A 37 -11.377 6.107 -12.226 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.737 7.190 -11.331 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -10.511 4.842 -12.217 1.00 0.00 C ATOM 0 H LEU A 37 -12.711 6.939 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.284 7.797 -12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.718 5.184 -10.794 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.298 5.127 -12.447 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.447 6.497 -13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.740 7.427 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.354 8.088 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.665 6.821 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.510 5.084 -12.575 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.448 4.451 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.958 4.091 -12.868 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.678 5.939 -10.867 1.00 0.00 N ATOM 1580 CA HIS A 38 -17.144 5.679 -11.004 1.00 0.00 C ATOM 1581 C HIS A 38 -17.880 6.568 -10.003 1.00 0.00 C ATOM 1582 O HIS A 38 -18.519 7.519 -10.388 1.00 0.00 O ATOM 1583 CB HIS A 38 -17.429 4.199 -10.711 1.00 0.00 C ATOM 1584 CG HIS A 38 -16.349 3.354 -11.326 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.013 3.217 -11.035 1.00 0.00 N flip ATOM 1586 CD2 HIS A 38 -16.590 2.510 -12.399 1.00 0.00 C flip ATOM 1587 CE1 HIS A 38 -14.435 2.303 -11.910 1.00 0.00 C flip ATOM 1588 NE2 HIS A 38 -15.427 1.908 -12.710 1.00 0.00 N flip ATOM 0 H HIS A 38 -15.210 5.417 -10.126 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.482 5.904 -12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -17.470 4.031 -9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -18.401 3.917 -11.115 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.538 2.362 -12.895 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.404 1.982 -11.936 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.317 1.232 -13.466 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.773 6.215 -8.736 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.431 6.955 -7.595 1.00 0.00 C ATOM 1598 C GLN A 39 -19.541 6.098 -6.989 1.00 0.00 C ATOM 1599 O GLN A 39 -20.680 6.500 -6.867 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.965 8.351 -8.014 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.331 8.246 -8.749 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.411 9.252 -9.914 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.441 9.901 -10.254 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.541 9.399 -10.549 1.00 0.00 N ATOM 0 H GLN A 39 -17.231 5.406 -8.433 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.667 7.137 -6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.074 8.979 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.238 8.839 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.467 7.233 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -21.142 8.434 -8.045 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -22.358 8.857 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.607 10.056 -11.326 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.184 4.914 -6.569 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.152 3.991 -5.929 1.00 0.00 C ATOM 1615 C VAL A 40 -19.439 3.261 -4.792 1.00 0.00 C ATOM 1616 O VAL A 40 -18.230 3.138 -4.785 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.646 2.966 -6.942 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.523 3.649 -7.990 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.451 2.291 -7.627 1.00 0.00 C ATOM 0 H VAL A 40 -18.237 4.544 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 40 -21.004 4.557 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.234 2.210 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.872 2.909 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.380 4.112 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.943 4.414 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.812 1.559 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.853 3.044 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.838 1.789 -6.878 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.170 2.776 -3.831 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.525 2.051 -2.694 1.00 0.00 C ATOM 1631 C ASN A 41 -19.353 0.561 -3.055 1.00 0.00 C ATOM 1632 O ASN A 41 -20.219 -0.030 -3.667 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.416 2.169 -1.456 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.762 1.499 -1.729 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.137 1.306 -2.869 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.510 1.133 -0.725 1.00 0.00 N ATOM 0 H ASN A 41 -21.186 2.848 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.547 2.488 -2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.931 1.699 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.565 3.218 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.410 0.685 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.195 1.295 0.231 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.256 -0.060 -2.676 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.053 -1.519 -2.998 1.00 0.00 C ATOM 1645 C ARG A 42 -18.414 -2.372 -1.762 1.00 0.00 C ATOM 1646 O ARG A 42 -18.262 -1.911 -0.648 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.581 -1.763 -3.350 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.226 -1.030 -4.648 1.00 0.00 C ATOM 1649 CD ARG A 42 -17.004 -1.623 -5.836 1.00 0.00 C ATOM 1650 NE ARG A 42 -16.218 -1.421 -7.086 1.00 0.00 N ATOM 1651 CZ ARG A 42 -16.512 -2.104 -8.158 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -17.527 -2.924 -8.153 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -15.799 -1.957 -9.240 1.00 0.00 N ATOM 0 H ARG A 42 -17.493 0.377 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.688 -1.794 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.942 -1.414 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.398 -2.831 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.457 0.030 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.155 -1.106 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.185 -2.686 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.979 -1.143 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.451 -0.749 -7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.092 -3.032 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.756 -3.457 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.012 -1.308 -9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.028 -2.491 -10.078 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.885 -3.604 -1.928 1.00 0.00 N ATOM 1668 CA PRO A 43 -19.234 -4.441 -0.736 1.00 0.00 C ATOM 1669 C PRO A 43 -17.997 -4.778 0.126 1.00 0.00 C ATOM 1670 O PRO A 43 -17.808 -5.891 0.574 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.844 -5.705 -1.384 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.580 -5.651 -2.903 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.109 -4.231 -3.265 1.00 0.00 C ATOM 0 HA PRO A 43 -19.908 -3.938 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -19.400 -6.603 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.915 -5.753 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.823 -6.384 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.486 -5.902 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.197 -4.247 -3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.859 -3.692 -3.844 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.172 -3.800 0.363 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.953 -4.001 1.198 1.00 0.00 C ATOM 1683 C LEU A 44 -15.215 -5.286 0.790 1.00 0.00 C ATOM 1684 O LEU A 44 -14.503 -5.876 1.578 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.388 -4.088 2.672 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.374 -2.695 3.309 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.444 -1.811 2.660 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.636 -2.816 4.813 1.00 0.00 C ATOM 0 H LEU A 44 -17.291 -2.851 0.008 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.269 -3.165 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.388 -4.517 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.719 -4.753 3.218 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.397 -2.238 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.427 -0.823 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.242 -1.719 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.426 -2.262 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.626 -1.824 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.609 -3.279 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.860 -3.431 5.269 1.00 0.00 H new ATOM 1700 N THR A 45 -15.365 -5.722 -0.425 1.00 0.00 N ATOM 1701 CA THR A 45 -14.657 -6.962 -0.854 1.00 0.00 C ATOM 1702 C THR A 45 -13.162 -6.675 -1.034 1.00 0.00 C ATOM 1703 O THR A 45 -12.366 -7.581 -1.187 1.00 0.00 O ATOM 1704 CB THR A 45 -15.240 -7.447 -2.186 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.306 -8.308 -2.822 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.531 -6.248 -3.096 1.00 0.00 C ATOM 0 H THR A 45 -15.943 -5.279 -1.139 1.00 0.00 H new ATOM 0 HA THR A 45 -14.788 -7.729 -0.091 1.00 0.00 H new ATOM 0 HB THR A 45 -16.168 -7.986 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.546 -8.465 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.945 -6.600 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.248 -5.587 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.607 -5.703 -3.286 1.00 0.00 H new ATOM 1714 N MET A 46 -12.776 -5.424 -1.047 1.00 0.00 N ATOM 1715 CA MET A 46 -11.329 -5.084 -1.256 1.00 0.00 C ATOM 1716 C MET A 46 -10.623 -4.803 0.072 1.00 0.00 C ATOM 1717 O MET A 46 -9.411 -4.750 0.126 1.00 0.00 O ATOM 1718 CB MET A 46 -11.230 -3.829 -2.129 1.00 0.00 C ATOM 1719 CG MET A 46 -11.748 -4.128 -3.540 1.00 0.00 C ATOM 1720 SD MET A 46 -10.467 -4.977 -4.498 1.00 0.00 S ATOM 1721 CE MET A 46 -9.596 -3.505 -5.099 1.00 0.00 C ATOM 0 H MET A 46 -13.396 -4.623 -0.923 1.00 0.00 H new ATOM 0 HA MET A 46 -10.848 -5.936 -1.736 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.810 -3.020 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.195 -3.490 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.644 -4.747 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.032 -3.200 -4.037 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.755 -3.809 -5.722 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.280 -2.892 -5.686 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.229 -2.928 -4.250 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.342 -4.594 1.144 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.639 -4.292 2.428 1.00 0.00 C ATOM 1733 C ARG A 47 -10.165 -5.591 3.080 1.00 0.00 C ATOM 1734 O ARG A 47 -10.857 -6.589 3.090 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.555 -3.522 3.400 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.582 -2.685 2.636 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.913 -1.720 1.648 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.973 -1.062 0.829 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.680 -0.036 0.077 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.470 0.450 0.074 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.599 0.507 -0.673 1.00 0.00 N ATOM 0 H ARG A 47 -12.361 -4.618 1.189 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.779 -3.662 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.069 -4.225 4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.953 -2.874 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.259 -3.346 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.187 -2.118 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.332 -0.971 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.219 -2.260 1.004 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.930 -1.415 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.750 0.028 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.244 1.252 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.547 0.130 -0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.370 1.309 -1.260 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.985 -5.564 3.629 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.412 -6.769 4.309 1.00 0.00 C ATOM 1757 C LYS A 48 -8.020 -6.344 5.726 1.00 0.00 C ATOM 1758 O LYS A 48 -8.591 -5.422 6.274 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.179 -7.250 3.518 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.969 -8.759 3.722 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.590 -9.176 3.190 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.549 -9.046 1.665 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.313 -9.700 1.148 1.00 0.00 N ATOM 0 H LYS A 48 -8.378 -4.744 3.638 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.129 -7.589 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.312 -7.035 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.293 -6.705 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.049 -9.005 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.751 -9.316 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.816 -8.551 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.376 -10.205 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.431 -9.511 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.566 -7.995 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.282 -9.614 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.477 -9.237 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.316 -10.706 1.411 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.046 -6.969 6.328 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.643 -6.538 7.700 1.00 0.00 C ATOM 1779 C ASP A 49 -5.578 -5.454 7.563 1.00 0.00 C ATOM 1780 O ASP A 49 -5.879 -4.280 7.587 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.061 -7.724 8.475 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.112 -8.828 8.590 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.235 -8.598 8.173 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.776 -9.886 9.096 1.00 0.00 O ATOM 0 H ASP A 49 -6.517 -7.749 5.938 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.511 -6.159 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.175 -8.104 7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.746 -7.403 9.468 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.341 -5.829 7.405 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.272 -4.803 7.257 1.00 0.00 C ATOM 1791 C GLY A 50 -3.329 -4.224 5.843 1.00 0.00 C ATOM 1792 O GLY A 50 -4.290 -4.416 5.126 1.00 0.00 O ATOM 0 H GLY A 50 -4.024 -6.798 7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.406 -4.011 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.295 -5.248 7.442 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.308 -3.518 5.431 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.304 -2.934 4.062 1.00 0.00 C ATOM 1798 C ILE A 51 -1.640 -3.902 3.083 1.00 0.00 C ATOM 1799 O ILE A 51 -0.682 -4.577 3.404 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.550 -1.604 4.091 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.128 -0.752 5.241 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.720 -0.891 2.743 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.838 0.742 5.032 1.00 0.00 C ATOM 0 H ILE A 51 -1.476 -3.322 5.987 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.328 -2.761 3.732 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.485 -1.764 4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.205 -0.909 5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.699 -1.078 6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.183 0.057 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.320 -1.518 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.778 -0.705 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.259 1.313 5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.760 0.901 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.289 1.073 4.096 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.135 -3.951 1.881 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.528 -4.845 0.861 1.00 0.00 C ATOM 1817 C GLN A 52 -0.189 -4.244 0.447 1.00 0.00 C ATOM 1818 O GLN A 52 -0.004 -3.047 0.497 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.456 -4.942 -0.352 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.648 -5.835 -0.013 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.595 -5.894 -1.213 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.516 -4.971 -2.136 1.00 0.00 O flip ATOM 1823 NE2 GLN A 52 -5.417 -6.782 -1.311 1.00 0.00 N flip ATOM 0 H GLN A 52 -2.937 -3.408 1.560 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.381 -5.846 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.802 -3.949 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.914 -5.349 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.305 -6.837 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.172 -5.445 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.478 -7.502 -0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.046 -6.808 -2.113 1.00 0.00 H new ATOM 1832 N THR A 53 0.766 -5.056 0.079 1.00 0.00 N ATOM 1833 CA THR A 53 2.103 -4.504 -0.305 1.00 0.00 C ATOM 1834 C THR A 53 2.668 -5.251 -1.505 1.00 0.00 C ATOM 1835 O THR A 53 2.305 -6.373 -1.798 1.00 0.00 O ATOM 1836 CB THR A 53 3.057 -4.636 0.873 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.398 -4.512 0.419 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.848 -5.994 1.532 1.00 0.00 C ATOM 0 H THR A 53 0.682 -6.071 0.027 1.00 0.00 H new ATOM 0 HA THR A 53 1.987 -3.454 -0.574 1.00 0.00 H new ATOM 0 HB THR A 53 2.860 -3.848 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.010 -4.596 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.528 -6.097 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.819 -6.074 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.047 -6.784 0.808 1.00 0.00 H new ATOM 1846 N ARG A 54 3.560 -4.607 -2.197 1.00 0.00 N ATOM 1847 CA ARG A 54 4.193 -5.214 -3.405 1.00 0.00 C ATOM 1848 C ARG A 54 5.631 -4.711 -3.539 1.00 0.00 C ATOM 1849 O ARG A 54 6.024 -3.751 -2.905 1.00 0.00 O ATOM 1850 CB ARG A 54 3.374 -4.845 -4.652 1.00 0.00 C ATOM 1851 CG ARG A 54 2.064 -5.640 -4.640 1.00 0.00 C ATOM 1852 CD ARG A 54 1.233 -5.319 -5.883 1.00 0.00 C ATOM 1853 NE ARG A 54 -0.085 -6.035 -5.802 1.00 0.00 N ATOM 1854 CZ ARG A 54 -0.155 -7.335 -5.655 1.00 0.00 C ATOM 1855 NH1 ARG A 54 0.910 -8.078 -5.787 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -1.310 -7.900 -5.433 1.00 0.00 N ATOM 0 H ARG A 54 3.886 -3.666 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 54 4.212 -6.299 -3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.165 -3.775 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.942 -5.068 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.280 -6.708 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.494 -5.400 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.071 -4.244 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.770 -5.624 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.948 -5.495 -5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.808 -7.647 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.844 -9.089 -5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.154 -7.330 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.369 -8.912 -5.318 1.00 0.00 H new ATOM 1870 N ASN A 55 6.424 -5.362 -4.344 1.00 0.00 N ATOM 1871 CA ASN A 55 7.839 -4.924 -4.495 1.00 0.00 C ATOM 1872 C ASN A 55 7.861 -3.462 -4.943 1.00 0.00 C ATOM 1873 O ASN A 55 7.099 -3.048 -5.794 1.00 0.00 O ATOM 1874 CB ASN A 55 8.549 -5.793 -5.538 1.00 0.00 C ATOM 1875 CG ASN A 55 8.533 -7.259 -5.095 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.699 -7.551 -3.834 1.00 0.00 O flip ATOM 1877 ND2 ASN A 55 8.362 -8.148 -5.905 1.00 0.00 N flip ATOM 0 H ASN A 55 6.155 -6.173 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 55 8.356 -5.027 -3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.056 -5.691 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.577 -5.454 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.232 -7.921 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.348 -9.121 -5.599 1.00 0.00 H new ATOM 1884 N ARG A 56 8.722 -2.677 -4.359 1.00 0.00 N ATOM 1885 CA ARG A 56 8.791 -1.234 -4.728 1.00 0.00 C ATOM 1886 C ARG A 56 9.167 -1.091 -6.205 1.00 0.00 C ATOM 1887 O ARG A 56 10.106 -1.701 -6.677 1.00 0.00 O ATOM 1888 CB ARG A 56 9.851 -0.543 -3.870 1.00 0.00 C ATOM 1889 CG ARG A 56 9.729 0.971 -4.057 1.00 0.00 C ATOM 1890 CD ARG A 56 10.775 1.684 -3.203 1.00 0.00 C ATOM 1891 NE ARG A 56 10.572 1.333 -1.771 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.519 1.565 -0.905 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.644 2.091 -1.302 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.344 1.268 0.353 1.00 0.00 N ATOM 0 H ARG A 56 9.383 -2.972 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 56 7.818 -0.774 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.717 -0.805 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.847 -0.879 -4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.866 1.229 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.729 1.302 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.777 1.395 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.696 2.763 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 56 9.694 0.912 -1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.781 2.319 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.387 2.274 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.465 0.853 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.086 1.451 1.028 1.00 0.00 H new ATOM 1908 N LYS A 57 8.436 -0.293 -6.939 1.00 0.00 N ATOM 1909 CA LYS A 57 8.744 -0.115 -8.388 1.00 0.00 C ATOM 1910 C LYS A 57 10.169 0.403 -8.567 1.00 0.00 C ATOM 1911 O LYS A 57 10.944 0.465 -7.634 1.00 0.00 O ATOM 1912 CB LYS A 57 7.767 0.876 -9.006 1.00 0.00 C ATOM 1913 CG LYS A 57 7.899 2.228 -8.330 1.00 0.00 C ATOM 1914 CD LYS A 57 6.883 3.173 -8.956 1.00 0.00 C ATOM 1915 CE LYS A 57 6.987 4.547 -8.299 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.075 5.500 -8.992 1.00 0.00 N ATOM 0 H LYS A 57 7.639 0.243 -6.597 1.00 0.00 H new ATOM 0 HA LYS A 57 8.649 -1.081 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.963 0.974 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.747 0.506 -8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.723 2.136 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.909 2.619 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.062 3.257 -10.028 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.876 2.775 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.724 4.478 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.014 4.909 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.146 6.436 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.346 5.574 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.096 5.156 -8.923 1.00 0.00 H new ATOM 1930 N VAL A 58 10.515 0.785 -9.766 1.00 0.00 N ATOM 1931 CA VAL A 58 11.880 1.310 -10.019 1.00 0.00 C ATOM 1932 C VAL A 58 12.091 2.570 -9.184 1.00 0.00 C ATOM 1933 O VAL A 58 11.197 3.381 -9.034 1.00 0.00 O ATOM 1934 CB VAL A 58 12.021 1.666 -11.499 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.866 0.403 -12.347 1.00 0.00 C ATOM 1936 CG2 VAL A 58 10.941 2.683 -11.888 1.00 0.00 C ATOM 0 H VAL A 58 9.905 0.755 -10.583 1.00 0.00 H new ATOM 0 HA VAL A 58 12.619 0.555 -9.750 1.00 0.00 H new ATOM 0 HB VAL A 58 13.005 2.100 -11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.967 0.658 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.637 -0.316 -12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.883 -0.034 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.043 2.936 -12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.955 2.253 -11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.056 3.584 -11.286 1.00 0.00 H new