USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 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: A1189 THR OG1 : rot 180:sc= 0.089 USER MOD Set 1.2: A1190 SER OG : rot 180:sc= 0.108 USER MOD Single : A1184 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1187 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.2!) USER MOD Single : A1192 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A1194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1199 SER OG : rot -74:sc= 0.838 USER MOD Single : A1200 SER OG : rot -170:sc= 0 USER MOD Single : A1203 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1204 SER OG : rot -117:sc= 1.02 USER MOD Single : A1206 TYR OH : rot 180:sc= 0 USER MOD Single : A1212 TYR OH : rot 180:sc= 0 USER MOD Single : A1217 ASN :FLIP amide:sc=-0.00595 F(o=-0.68,f=-0.0059) USER MOD Single : A1218 SER OG : rot 91:sc= 1.03 USER MOD Single : A1225 THR OG1 : rot 65:sc= 0.0991 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A1182 -16.416 -8.217 3.643 1.00 0.00 N ATOM 2 CA GLY A1182 -17.822 -7.937 3.832 1.00 0.00 C ATOM 3 C GLY A1182 -18.358 -7.016 2.762 1.00 0.00 C ATOM 4 O GLY A1182 -17.657 -6.716 1.794 1.00 0.00 O ATOM 0 HA2 GLY A1182 -18.383 -8.871 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A1182 -17.974 -7.484 4.812 1.00 0.00 H new ATOM 10 N ALA A1183 -19.592 -6.554 2.934 1.00 0.00 N ATOM 11 CA ALA A1183 -20.221 -5.657 1.970 1.00 0.00 C ATOM 12 C ALA A1183 -19.927 -4.200 2.321 1.00 0.00 C ATOM 13 O ALA A1183 -20.836 -3.388 2.509 1.00 0.00 O ATOM 14 CB ALA A1183 -21.721 -5.912 1.921 1.00 0.00 C ATOM 0 H ALA A1183 -20.179 -6.787 3.735 1.00 0.00 H new ATOM 0 HA ALA A1183 -19.805 -5.855 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A1183 -22.181 -5.238 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A1183 -21.905 -6.944 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A1183 -22.152 -5.737 2.907 1.00 0.00 H new ATOM 20 N MET A1184 -18.641 -3.882 2.400 1.00 0.00 N ATOM 21 CA MET A1184 -18.185 -2.565 2.803 1.00 0.00 C ATOM 22 C MET A1184 -16.827 -2.276 2.177 1.00 0.00 C ATOM 23 O MET A1184 -15.882 -3.055 2.335 1.00 0.00 O ATOM 24 CB MET A1184 -18.098 -2.485 4.335 1.00 0.00 C ATOM 25 CG MET A1184 -17.331 -1.281 4.862 1.00 0.00 C ATOM 26 SD MET A1184 -16.283 -1.692 6.272 1.00 0.00 S ATOM 27 CE MET A1184 -14.710 -1.974 5.457 1.00 0.00 C ATOM 0 H MET A1184 -17.886 -4.534 2.185 1.00 0.00 H new ATOM 0 HA MET A1184 -18.898 -1.816 2.457 1.00 0.00 H new ATOM 0 HB2 MET A1184 -19.109 -2.463 4.743 1.00 0.00 H new ATOM 0 HB3 MET A1184 -17.624 -3.393 4.707 1.00 0.00 H new ATOM 0 HG2 MET A1184 -16.714 -0.869 4.063 1.00 0.00 H new ATOM 0 HG3 MET A1184 -18.037 -0.503 5.153 1.00 0.00 H new ATOM 0 HE1 MET A1184 -13.958 -2.238 6.200 1.00 0.00 H new ATOM 0 HE2 MET A1184 -14.813 -2.788 4.739 1.00 0.00 H new ATOM 0 HE3 MET A1184 -14.403 -1.067 4.936 1.00 0.00 H new ATOM 37 N VAL A1185 -16.742 -1.175 1.450 1.00 0.00 N ATOM 38 CA VAL A1185 -15.491 -0.753 0.844 1.00 0.00 C ATOM 39 C VAL A1185 -14.789 0.267 1.737 1.00 0.00 C ATOM 40 O VAL A1185 -15.403 0.869 2.625 1.00 0.00 O ATOM 41 CB VAL A1185 -15.724 -0.184 -0.585 1.00 0.00 C ATOM 42 CG1 VAL A1185 -16.150 1.277 -0.560 1.00 0.00 C ATOM 43 CG2 VAL A1185 -14.496 -0.372 -1.465 1.00 0.00 C ATOM 0 H VAL A1185 -17.530 -0.554 1.264 1.00 0.00 H new ATOM 0 HA VAL A1185 -14.844 -1.625 0.746 1.00 0.00 H new ATOM 0 HB VAL A1185 -16.545 -0.755 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A1185 -16.301 1.630 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A1185 -17.081 1.375 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A1185 -15.374 1.874 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A1185 -14.693 0.036 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A1185 -13.647 0.147 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A1185 -14.268 -1.435 -1.549 1.00 0.00 H new ATOM 53 N LEU A1186 -13.500 0.422 1.515 1.00 0.00 N ATOM 54 CA LEU A1186 -12.688 1.367 2.269 1.00 0.00 C ATOM 55 C LEU A1186 -12.892 2.790 1.757 1.00 0.00 C ATOM 56 O LEU A1186 -13.450 3.003 0.679 1.00 0.00 O ATOM 57 CB LEU A1186 -11.211 0.982 2.160 1.00 0.00 C ATOM 58 CG LEU A1186 -10.451 0.804 3.481 1.00 0.00 C ATOM 59 CD1 LEU A1186 -9.725 2.083 3.862 1.00 0.00 C ATOM 60 CD2 LEU A1186 -11.374 0.348 4.607 1.00 0.00 C ATOM 0 H LEU A1186 -12.982 -0.101 0.809 1.00 0.00 H new ATOM 0 HA LEU A1186 -12.998 1.331 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A1186 -11.142 0.050 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A1186 -10.701 1.747 1.573 1.00 0.00 H new ATOM 0 HG LEU A1186 -9.710 0.019 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A1186 -9.193 1.933 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A1186 -9.013 2.344 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A1186 -10.448 2.891 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A1186 -10.798 0.233 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A1186 -12.157 1.091 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A1186 -11.828 -0.607 4.342 1.00 0.00 H new ATOM 72 N ASN A1187 -12.430 3.759 2.528 1.00 0.00 N ATOM 73 CA ASN A1187 -12.580 5.160 2.155 1.00 0.00 C ATOM 74 C ASN A1187 -11.263 5.714 1.641 1.00 0.00 C ATOM 75 O ASN A1187 -10.369 6.057 2.416 1.00 0.00 O ATOM 76 CB ASN A1187 -13.070 5.992 3.336 1.00 0.00 C ATOM 77 CG ASN A1187 -14.388 6.686 3.054 1.00 0.00 C ATOM 78 OD1 ASN A1187 -15.214 6.188 2.291 1.00 0.00 O ATOM 79 ND2 ASN A1187 -14.593 7.842 3.667 1.00 0.00 N ATOM 0 H ASN A1187 -11.949 3.605 3.414 1.00 0.00 H new ATOM 0 HA ASN A1187 -13.325 5.218 1.361 1.00 0.00 H new ATOM 0 HB2 ASN A1187 -13.182 5.347 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A1187 -12.317 6.739 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A1187 -15.462 8.354 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A1187 -13.882 8.221 4.293 1.00 0.00 H new ATOM 86 N CYS A1188 -11.144 5.774 0.330 1.00 0.00 N ATOM 87 CA CYS A1188 -9.939 6.258 -0.313 1.00 0.00 C ATOM 88 C CYS A1188 -10.276 6.973 -1.612 1.00 0.00 C ATOM 89 O CYS A1188 -11.439 7.285 -1.877 1.00 0.00 O ATOM 90 CB CYS A1188 -9.010 5.084 -0.600 1.00 0.00 C ATOM 91 SG CYS A1188 -9.890 3.543 -1.023 1.00 0.00 S ATOM 0 H CYS A1188 -11.878 5.489 -0.318 1.00 0.00 H new ATOM 0 HA CYS A1188 -9.445 6.964 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A1188 -8.345 5.350 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A1188 -8.382 4.906 0.273 1.00 0.00 H new ATOM 96 N THR A1189 -9.252 7.210 -2.416 1.00 0.00 N ATOM 97 CA THR A1189 -9.402 7.849 -3.706 1.00 0.00 C ATOM 98 C THR A1189 -8.212 7.459 -4.592 1.00 0.00 C ATOM 99 O THR A1189 -7.365 6.668 -4.167 1.00 0.00 O ATOM 100 CB THR A1189 -9.522 9.391 -3.548 1.00 0.00 C ATOM 101 OG1 THR A1189 -9.918 9.999 -4.783 1.00 0.00 O ATOM 102 CG2 THR A1189 -8.219 10.013 -3.057 1.00 0.00 C ATOM 0 H THR A1189 -8.289 6.962 -2.187 1.00 0.00 H new ATOM 0 HA THR A1189 -10.322 7.509 -4.182 1.00 0.00 H new ATOM 0 HB THR A1189 -10.289 9.578 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A1189 -9.989 10.969 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A1189 -8.345 11.091 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A1189 -7.956 9.589 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A1189 -7.424 9.803 -3.772 1.00 0.00 H new ATOM 110 N SER A1190 -8.149 8.006 -5.802 1.00 0.00 N ATOM 111 CA SER A1190 -7.084 7.685 -6.752 1.00 0.00 C ATOM 112 C SER A1190 -5.735 8.249 -6.300 1.00 0.00 C ATOM 113 O SER A1190 -4.680 7.770 -6.715 1.00 0.00 O ATOM 114 CB SER A1190 -7.455 8.235 -8.128 1.00 0.00 C ATOM 115 OG SER A1190 -8.756 8.806 -8.105 1.00 0.00 O ATOM 0 H SER A1190 -8.829 8.681 -6.152 1.00 0.00 H new ATOM 0 HA SER A1190 -6.982 6.601 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A1190 -6.727 8.987 -8.433 1.00 0.00 H new ATOM 0 HB3 SER A1190 -7.416 7.435 -8.868 1.00 0.00 H new ATOM 0 HG SER A1190 -8.976 9.155 -8.994 1.00 0.00 H new ATOM 121 N ALA A1191 -5.784 9.264 -5.440 1.00 0.00 N ATOM 122 CA ALA A1191 -4.578 9.886 -4.909 1.00 0.00 C ATOM 123 C ALA A1191 -3.980 9.064 -3.770 1.00 0.00 C ATOM 124 O ALA A1191 -2.801 9.205 -3.449 1.00 0.00 O ATOM 125 CB ALA A1191 -4.878 11.298 -4.439 1.00 0.00 C ATOM 0 H ALA A1191 -6.652 9.674 -5.096 1.00 0.00 H new ATOM 0 HA ALA A1191 -3.842 9.927 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A1191 -3.968 11.751 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A1191 -5.245 11.890 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A1191 -5.637 11.268 -3.657 1.00 0.00 H new ATOM 131 N GLN A1192 -4.797 8.210 -3.159 1.00 0.00 N ATOM 132 CA GLN A1192 -4.323 7.328 -2.102 1.00 0.00 C ATOM 133 C GLN A1192 -3.918 5.990 -2.695 1.00 0.00 C ATOM 134 O GLN A1192 -4.307 5.661 -3.819 1.00 0.00 O ATOM 135 CB GLN A1192 -5.391 7.113 -1.025 1.00 0.00 C ATOM 136 CG GLN A1192 -5.117 7.888 0.250 1.00 0.00 C ATOM 137 CD GLN A1192 -6.282 7.847 1.212 1.00 0.00 C ATOM 138 OE1 GLN A1192 -6.950 6.824 1.356 1.00 0.00 O ATOM 139 NE2 GLN A1192 -6.533 8.956 1.880 1.00 0.00 N ATOM 0 H GLN A1192 -5.788 8.112 -3.379 1.00 0.00 H new ATOM 0 HA GLN A1192 -3.462 7.802 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A1192 -6.362 7.409 -1.421 1.00 0.00 H new ATOM 0 HB3 GLN A1192 -5.453 6.050 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A1192 -4.232 7.478 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A1192 -4.892 8.925 0.000 1.00 0.00 H new ATOM 0 HE21 GLN A1192 -5.955 9.783 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A1192 -7.305 8.987 2.545 1.00 0.00 H new ATOM 148 N PHE A1193 -3.151 5.219 -1.945 1.00 0.00 N ATOM 149 CA PHE A1193 -2.699 3.928 -2.418 1.00 0.00 C ATOM 150 C PHE A1193 -3.727 2.855 -2.099 1.00 0.00 C ATOM 151 O PHE A1193 -4.037 2.592 -0.933 1.00 0.00 O ATOM 152 CB PHE A1193 -1.343 3.552 -1.814 1.00 0.00 C ATOM 153 CG PHE A1193 -0.775 2.291 -2.406 1.00 0.00 C ATOM 154 CD1 PHE A1193 -0.202 2.301 -3.666 1.00 0.00 C ATOM 155 CD2 PHE A1193 -0.833 1.091 -1.713 1.00 0.00 C ATOM 156 CE1 PHE A1193 0.302 1.143 -4.223 1.00 0.00 C ATOM 157 CE2 PHE A1193 -0.329 -0.069 -2.265 1.00 0.00 C ATOM 158 CZ PHE A1193 0.238 -0.043 -3.522 1.00 0.00 C ATOM 0 H PHE A1193 -2.830 5.466 -1.009 1.00 0.00 H new ATOM 0 HA PHE A1193 -2.579 3.997 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A1193 -0.640 4.371 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A1193 -1.452 3.426 -0.737 1.00 0.00 H new ATOM 0 HD1 PHE A1193 -0.149 3.226 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A1193 -1.278 1.064 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A1193 0.746 1.166 -5.207 1.00 0.00 H new ATOM 0 HE2 PHE A1193 -0.378 -0.996 -1.713 1.00 0.00 H new ATOM 0 HZ PHE A1193 0.631 -0.950 -3.957 1.00 0.00 H new ATOM 168 N LYS A1194 -4.257 2.247 -3.143 1.00 0.00 N ATOM 169 CA LYS A1194 -5.183 1.148 -2.995 1.00 0.00 C ATOM 170 C LYS A1194 -4.425 -0.169 -3.002 1.00 0.00 C ATOM 171 O LYS A1194 -3.404 -0.298 -3.679 1.00 0.00 O ATOM 172 CB LYS A1194 -6.207 1.166 -4.133 1.00 0.00 C ATOM 173 CG LYS A1194 -7.506 0.454 -3.801 1.00 0.00 C ATOM 174 CD LYS A1194 -8.643 1.441 -3.625 1.00 0.00 C ATOM 175 CE LYS A1194 -9.991 0.740 -3.585 1.00 0.00 C ATOM 176 NZ LYS A1194 -10.628 0.686 -4.927 1.00 0.00 N ATOM 0 H LYS A1194 -4.058 2.501 -4.110 1.00 0.00 H new ATOM 0 HA LYS A1194 -5.709 1.253 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A1194 -6.428 2.201 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A1194 -5.765 0.702 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A1194 -7.752 -0.250 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A1194 -7.382 -0.128 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A1194 -8.497 2.004 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A1194 -8.631 2.161 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A1194 -9.862 -0.273 -3.203 1.00 0.00 H new ATOM 0 HE3 LYS A1194 -10.651 1.261 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A1194 -11.545 0.200 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A1194 -10.774 1.653 -5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A1194 -10.011 0.167 -5.584 1.00 0.00 H new ATOM 190 N CYS A1195 -4.919 -1.133 -2.240 1.00 0.00 N ATOM 191 CA CYS A1195 -4.386 -2.476 -2.248 1.00 0.00 C ATOM 192 C CYS A1195 -4.591 -3.108 -3.629 1.00 0.00 C ATOM 193 O CYS A1195 -5.413 -2.628 -4.416 1.00 0.00 O ATOM 194 CB CYS A1195 -5.117 -3.282 -1.182 1.00 0.00 C ATOM 195 SG CYS A1195 -4.358 -3.260 0.479 1.00 0.00 S ATOM 0 H CYS A1195 -5.702 -1.000 -1.600 1.00 0.00 H new ATOM 0 HA CYS A1195 -3.317 -2.463 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A1195 -6.136 -2.905 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A1195 -5.186 -4.317 -1.517 1.00 0.00 H new ATOM 200 N ALA A1196 -3.865 -4.182 -3.918 1.00 0.00 N ATOM 201 CA ALA A1196 -3.955 -4.843 -5.222 1.00 0.00 C ATOM 202 C ALA A1196 -5.340 -5.437 -5.442 1.00 0.00 C ATOM 203 O ALA A1196 -5.922 -5.293 -6.517 1.00 0.00 O ATOM 204 CB ALA A1196 -2.886 -5.915 -5.367 1.00 0.00 C ATOM 0 H ALA A1196 -3.207 -4.616 -3.270 1.00 0.00 H new ATOM 0 HA ALA A1196 -3.784 -4.086 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A1196 -2.976 -6.389 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A1196 -1.900 -5.460 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A1196 -3.015 -6.665 -4.587 1.00 0.00 H new ATOM 210 N ASP A1197 -5.868 -6.087 -4.410 1.00 0.00 N ATOM 211 CA ASP A1197 -7.232 -6.602 -4.442 1.00 0.00 C ATOM 212 C ASP A1197 -8.219 -5.448 -4.271 1.00 0.00 C ATOM 213 O ASP A1197 -9.345 -5.485 -4.771 1.00 0.00 O ATOM 214 CB ASP A1197 -7.421 -7.651 -3.333 1.00 0.00 C ATOM 215 CG ASP A1197 -8.876 -7.918 -2.991 1.00 0.00 C ATOM 216 OD1 ASP A1197 -9.534 -8.683 -3.723 1.00 0.00 O ATOM 217 OD2 ASP A1197 -9.365 -7.371 -1.981 1.00 0.00 O ATOM 0 H ASP A1197 -5.370 -6.270 -3.539 1.00 0.00 H new ATOM 0 HA ASP A1197 -7.419 -7.081 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A1197 -6.952 -8.585 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A1197 -6.901 -7.316 -2.435 1.00 0.00 H new ATOM 222 N GLY A1198 -7.761 -4.398 -3.602 1.00 0.00 N ATOM 223 CA GLY A1198 -8.618 -3.271 -3.295 1.00 0.00 C ATOM 224 C GLY A1198 -9.363 -3.466 -1.992 1.00 0.00 C ATOM 225 O GLY A1198 -10.502 -3.031 -1.851 1.00 0.00 O ATOM 0 H GLY A1198 -6.803 -4.307 -3.264 1.00 0.00 H new ATOM 0 HA2 GLY A1198 -8.017 -2.363 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A1198 -9.334 -3.128 -4.105 1.00 0.00 H new ATOM 229 N SER A1199 -8.721 -4.145 -1.050 1.00 0.00 N ATOM 230 CA SER A1199 -9.317 -4.426 0.251 1.00 0.00 C ATOM 231 C SER A1199 -9.185 -3.232 1.191 1.00 0.00 C ATOM 232 O SER A1199 -10.148 -2.841 1.856 1.00 0.00 O ATOM 233 CB SER A1199 -8.641 -5.651 0.862 1.00 0.00 C ATOM 234 OG SER A1199 -7.641 -6.158 -0.011 1.00 0.00 O ATOM 0 H SER A1199 -7.777 -4.515 -1.164 1.00 0.00 H new ATOM 0 HA SER A1199 -10.380 -4.622 0.110 1.00 0.00 H new ATOM 0 HB2 SER A1199 -8.194 -5.386 1.820 1.00 0.00 H new ATOM 0 HB3 SER A1199 -9.385 -6.423 1.059 1.00 0.00 H new ATOM 0 HG SER A1199 -8.067 -6.619 -0.764 1.00 0.00 H new ATOM 240 N SER A1200 -7.994 -2.658 1.242 1.00 0.00 N ATOM 241 CA SER A1200 -7.729 -1.515 2.100 1.00 0.00 C ATOM 242 C SER A1200 -7.057 -0.403 1.300 1.00 0.00 C ATOM 243 O SER A1200 -6.579 -0.631 0.186 1.00 0.00 O ATOM 244 CB SER A1200 -6.839 -1.930 3.277 1.00 0.00 C ATOM 245 OG SER A1200 -6.796 -3.344 3.422 1.00 0.00 O ATOM 0 H SER A1200 -7.191 -2.968 0.695 1.00 0.00 H new ATOM 0 HA SER A1200 -8.676 -1.144 2.492 1.00 0.00 H new ATOM 0 HB2 SER A1200 -5.830 -1.548 3.124 1.00 0.00 H new ATOM 0 HB3 SER A1200 -7.215 -1.480 4.196 1.00 0.00 H new ATOM 0 HG SER A1200 -6.355 -3.573 4.267 1.00 0.00 H new ATOM 251 N CYS A1201 -7.049 0.798 1.858 1.00 0.00 N ATOM 252 CA CYS A1201 -6.369 1.925 1.239 1.00 0.00 C ATOM 253 C CYS A1201 -5.567 2.685 2.280 1.00 0.00 C ATOM 254 O CYS A1201 -6.069 2.992 3.363 1.00 0.00 O ATOM 255 CB CYS A1201 -7.363 2.874 0.562 1.00 0.00 C ATOM 256 SG CYS A1201 -8.863 2.066 -0.081 1.00 0.00 S ATOM 0 H CYS A1201 -7.508 1.017 2.742 1.00 0.00 H new ATOM 0 HA CYS A1201 -5.698 1.531 0.475 1.00 0.00 H new ATOM 0 HB2 CYS A1201 -7.658 3.642 1.278 1.00 0.00 H new ATOM 0 HB3 CYS A1201 -6.859 3.382 -0.260 1.00 0.00 H new ATOM 261 N ILE A1202 -4.322 2.969 1.951 1.00 0.00 N ATOM 262 CA ILE A1202 -3.440 3.708 2.834 1.00 0.00 C ATOM 263 C ILE A1202 -3.016 5.001 2.160 1.00 0.00 C ATOM 264 O ILE A1202 -3.222 5.176 0.959 1.00 0.00 O ATOM 265 CB ILE A1202 -2.180 2.896 3.219 1.00 0.00 C ATOM 266 CG1 ILE A1202 -1.733 1.994 2.063 1.00 0.00 C ATOM 267 CG2 ILE A1202 -2.442 2.071 4.469 1.00 0.00 C ATOM 268 CD1 ILE A1202 -0.245 2.038 1.800 1.00 0.00 C ATOM 0 H ILE A1202 -3.894 2.695 1.067 1.00 0.00 H new ATOM 0 HA ILE A1202 -3.993 3.916 3.750 1.00 0.00 H new ATOM 0 HB ILE A1202 -1.374 3.599 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A1202 -2.024 0.967 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A1202 -2.262 2.290 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A1202 -1.546 1.506 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A1202 -2.703 2.734 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A1202 -3.265 1.381 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A1202 -0.003 1.375 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A1202 0.050 3.057 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A1202 0.292 1.713 2.691 1.00 0.00 H new ATOM 280 N ASN A1203 -2.442 5.907 2.932 1.00 0.00 N ATOM 281 CA ASN A1203 -1.944 7.160 2.386 1.00 0.00 C ATOM 282 C ASN A1203 -0.725 6.899 1.508 1.00 0.00 C ATOM 283 O ASN A1203 0.004 5.927 1.718 1.00 0.00 O ATOM 284 CB ASN A1203 -1.590 8.137 3.512 1.00 0.00 C ATOM 285 CG ASN A1203 -2.756 9.025 3.903 1.00 0.00 C ATOM 286 OD1 ASN A1203 -3.845 8.540 4.213 1.00 0.00 O ATOM 287 ND2 ASN A1203 -2.536 10.331 3.899 1.00 0.00 N ATOM 0 H ASN A1203 -2.309 5.800 3.938 1.00 0.00 H new ATOM 0 HA ASN A1203 -2.728 7.610 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A1203 -1.258 7.575 4.385 1.00 0.00 H new ATOM 0 HB3 ASN A1203 -0.753 8.760 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A1203 -3.283 10.975 4.159 1.00 0.00 H new ATOM 0 HD22 ASN A1203 -1.619 10.693 3.636 1.00 0.00 H new ATOM 294 N SER A1204 -0.514 7.768 0.527 1.00 0.00 N ATOM 295 CA SER A1204 0.594 7.629 -0.418 1.00 0.00 C ATOM 296 C SER A1204 1.958 7.756 0.272 1.00 0.00 C ATOM 297 O SER A1204 2.968 7.267 -0.233 1.00 0.00 O ATOM 298 CB SER A1204 0.457 8.681 -1.519 1.00 0.00 C ATOM 299 OG SER A1204 -0.821 9.299 -1.469 1.00 0.00 O ATOM 0 H SER A1204 -1.101 8.586 0.362 1.00 0.00 H new ATOM 0 HA SER A1204 0.545 6.630 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A1204 1.236 9.435 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A1204 0.603 8.215 -2.494 1.00 0.00 H new ATOM 0 HG SER A1204 -1.311 9.105 -2.296 1.00 0.00 H new ATOM 305 N ARG A1205 1.973 8.397 1.440 1.00 0.00 N ATOM 306 CA ARG A1205 3.188 8.536 2.240 1.00 0.00 C ATOM 307 C ARG A1205 3.574 7.209 2.896 1.00 0.00 C ATOM 308 O ARG A1205 4.680 7.056 3.408 1.00 0.00 O ATOM 309 CB ARG A1205 2.998 9.618 3.307 1.00 0.00 C ATOM 310 CG ARG A1205 1.927 9.296 4.340 1.00 0.00 C ATOM 311 CD ARG A1205 1.754 10.433 5.333 1.00 0.00 C ATOM 312 NE ARG A1205 2.596 10.251 6.514 1.00 0.00 N ATOM 313 CZ ARG A1205 2.164 10.366 7.770 1.00 0.00 C ATOM 314 NH1 ARG A1205 0.906 10.713 8.019 1.00 0.00 N ATOM 315 NH2 ARG A1205 2.995 10.133 8.777 1.00 0.00 N ATOM 0 H ARG A1205 1.149 8.832 1.856 1.00 0.00 H new ATOM 0 HA ARG A1205 3.999 8.831 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A1205 3.946 9.776 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A1205 2.742 10.556 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A1205 0.980 9.104 3.836 1.00 0.00 H new ATOM 0 HG3 ARG A1205 2.196 8.384 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A1205 2.003 11.378 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A1205 0.709 10.495 5.637 1.00 0.00 H new ATOM 0 HE ARG A1205 3.579 10.021 6.367 1.00 0.00 H new ATOM 0 HH11 ARG A1205 0.264 10.893 7.247 1.00 0.00 H new ATOM 0 HH12 ARG A1205 0.582 10.799 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A1205 3.962 9.867 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A1205 2.668 10.220 9.739 1.00 0.00 H new ATOM 329 N TYR A1206 2.655 6.254 2.864 1.00 0.00 N ATOM 330 CA TYR A1206 2.888 4.935 3.432 1.00 0.00 C ATOM 331 C TYR A1206 3.195 3.927 2.331 1.00 0.00 C ATOM 332 O TYR A1206 3.075 2.721 2.523 1.00 0.00 O ATOM 333 CB TYR A1206 1.673 4.482 4.235 1.00 0.00 C ATOM 334 CG TYR A1206 1.504 5.228 5.539 1.00 0.00 C ATOM 335 CD1 TYR A1206 2.451 5.124 6.550 1.00 0.00 C ATOM 336 CD2 TYR A1206 0.399 6.038 5.757 1.00 0.00 C ATOM 337 CE1 TYR A1206 2.299 5.807 7.742 1.00 0.00 C ATOM 338 CE2 TYR A1206 0.239 6.725 6.946 1.00 0.00 C ATOM 339 CZ TYR A1206 1.191 6.606 7.935 1.00 0.00 C ATOM 340 OH TYR A1206 1.030 7.281 9.125 1.00 0.00 O ATOM 0 H TYR A1206 1.732 6.371 2.446 1.00 0.00 H new ATOM 0 HA TYR A1206 3.748 4.994 4.099 1.00 0.00 H new ATOM 0 HB2 TYR A1206 0.776 4.615 3.630 1.00 0.00 H new ATOM 0 HB3 TYR A1206 1.761 3.416 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A1206 3.320 4.500 6.402 1.00 0.00 H new ATOM 0 HD2 TYR A1206 -0.349 6.134 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A1206 3.044 5.716 8.519 1.00 0.00 H new ATOM 0 HE2 TYR A1206 -0.627 7.351 7.099 1.00 0.00 H new ATOM 0 HH TYR A1206 0.199 7.799 9.097 1.00 0.00 H new ATOM 350 N ARG A1207 3.551 4.431 1.167 1.00 0.00 N ATOM 351 CA ARG A1207 4.029 3.588 0.084 1.00 0.00 C ATOM 352 C ARG A1207 5.550 3.458 0.182 1.00 0.00 C ATOM 353 O ARG A1207 6.272 4.442 -0.009 1.00 0.00 O ATOM 354 CB ARG A1207 3.595 4.173 -1.273 1.00 0.00 C ATOM 355 CG ARG A1207 4.398 3.681 -2.469 1.00 0.00 C ATOM 356 CD ARG A1207 3.899 2.338 -2.972 1.00 0.00 C ATOM 357 NE ARG A1207 4.078 2.195 -4.417 1.00 0.00 N ATOM 358 CZ ARG A1207 5.251 1.980 -5.022 1.00 0.00 C ATOM 359 NH1 ARG A1207 6.366 1.830 -4.312 1.00 0.00 N ATOM 360 NH2 ARG A1207 5.299 1.898 -6.347 1.00 0.00 N ATOM 0 H ARG A1207 3.519 5.426 0.944 1.00 0.00 H new ATOM 0 HA ARG A1207 3.593 2.593 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A1207 2.544 3.934 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A1207 3.671 5.259 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG A1207 4.338 4.415 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A1207 5.449 3.597 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A1207 4.432 1.538 -2.459 1.00 0.00 H new ATOM 0 HD3 ARG A1207 2.843 2.227 -2.724 1.00 0.00 H new ATOM 0 HE ARG A1207 3.248 2.264 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A1207 6.333 1.878 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A1207 7.254 1.666 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A1207 4.445 1.999 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A1207 6.190 1.734 -6.816 1.00 0.00 H new ATOM 374 N CYS A1208 6.011 2.242 0.507 1.00 0.00 N ATOM 375 CA CYS A1208 7.436 1.937 0.699 1.00 0.00 C ATOM 376 C CYS A1208 8.021 2.716 1.880 1.00 0.00 C ATOM 377 O CYS A1208 8.579 3.801 1.711 1.00 0.00 O ATOM 378 CB CYS A1208 8.241 2.205 -0.578 1.00 0.00 C ATOM 379 SG CYS A1208 8.437 0.750 -1.656 1.00 0.00 S ATOM 0 H CYS A1208 5.401 1.436 0.645 1.00 0.00 H new ATOM 0 HA CYS A1208 7.510 0.874 0.928 1.00 0.00 H new ATOM 0 HB2 CYS A1208 7.752 2.998 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A1208 9.229 2.574 -0.301 1.00 0.00 H new ATOM 384 N ASP A1209 7.879 2.160 3.081 1.00 0.00 N ATOM 385 CA ASP A1209 8.429 2.783 4.283 1.00 0.00 C ATOM 386 C ASP A1209 9.223 1.771 5.104 1.00 0.00 C ATOM 387 O ASP A1209 10.261 2.104 5.675 1.00 0.00 O ATOM 388 CB ASP A1209 7.325 3.419 5.149 1.00 0.00 C ATOM 389 CG ASP A1209 6.142 2.504 5.403 1.00 0.00 C ATOM 390 OD1 ASP A1209 6.209 1.662 6.324 1.00 0.00 O ATOM 391 OD2 ASP A1209 5.131 2.624 4.689 1.00 0.00 O ATOM 0 H ASP A1209 7.389 1.281 3.248 1.00 0.00 H new ATOM 0 HA ASP A1209 9.101 3.577 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A1209 7.754 3.717 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A1209 6.972 4.327 4.661 1.00 0.00 H new ATOM 396 N GLY A1210 8.746 0.535 5.145 1.00 0.00 N ATOM 397 CA GLY A1210 9.417 -0.494 5.901 1.00 0.00 C ATOM 398 C GLY A1210 8.522 -1.679 6.193 1.00 0.00 C ATOM 399 O GLY A1210 8.898 -2.823 5.937 1.00 0.00 O ATOM 0 H GLY A1210 7.901 0.229 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A1210 10.293 -0.833 5.348 1.00 0.00 H new ATOM 0 HA3 GLY A1210 9.776 -0.074 6.841 1.00 0.00 H new ATOM 403 N VAL A1211 7.327 -1.403 6.700 1.00 0.00 N ATOM 404 CA VAL A1211 6.427 -2.460 7.157 1.00 0.00 C ATOM 405 C VAL A1211 5.207 -2.574 6.246 1.00 0.00 C ATOM 406 O VAL A1211 4.609 -1.565 5.877 1.00 0.00 O ATOM 407 CB VAL A1211 5.953 -2.225 8.613 1.00 0.00 C ATOM 408 CG1 VAL A1211 5.438 -3.520 9.225 1.00 0.00 C ATOM 409 CG2 VAL A1211 7.070 -1.640 9.471 1.00 0.00 C ATOM 0 H VAL A1211 6.957 -0.458 6.806 1.00 0.00 H new ATOM 0 HA VAL A1211 6.995 -3.389 7.122 1.00 0.00 H new ATOM 0 HB VAL A1211 5.137 -1.503 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A1211 5.110 -3.334 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A1211 4.599 -3.892 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A1211 6.236 -4.263 9.229 1.00 0.00 H new ATOM 0 HG21 VAL A1211 6.706 -1.487 10.487 1.00 0.00 H new ATOM 0 HG22 VAL A1211 7.914 -2.329 9.488 1.00 0.00 H new ATOM 0 HG23 VAL A1211 7.389 -0.686 9.052 1.00 0.00 H new ATOM 419 N TYR A1212 4.848 -3.807 5.894 1.00 0.00 N ATOM 420 CA TYR A1212 3.702 -4.074 5.027 1.00 0.00 C ATOM 421 C TYR A1212 2.394 -3.614 5.674 1.00 0.00 C ATOM 422 O TYR A1212 2.082 -3.984 6.810 1.00 0.00 O ATOM 423 CB TYR A1212 3.612 -5.567 4.713 1.00 0.00 C ATOM 424 CG TYR A1212 4.552 -6.037 3.628 1.00 0.00 C ATOM 425 CD1 TYR A1212 4.650 -5.367 2.417 1.00 0.00 C ATOM 426 CD2 TYR A1212 5.332 -7.167 3.814 1.00 0.00 C ATOM 427 CE1 TYR A1212 5.502 -5.814 1.425 1.00 0.00 C ATOM 428 CE2 TYR A1212 6.184 -7.618 2.828 1.00 0.00 C ATOM 429 CZ TYR A1212 6.265 -6.938 1.636 1.00 0.00 C ATOM 430 OH TYR A1212 7.113 -7.383 0.649 1.00 0.00 O ATOM 0 H TYR A1212 5.341 -4.646 6.200 1.00 0.00 H new ATOM 0 HA TYR A1212 3.850 -3.512 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A1212 3.818 -6.130 5.623 1.00 0.00 H new ATOM 0 HB3 TYR A1212 2.590 -5.802 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A1212 4.052 -4.484 2.247 1.00 0.00 H new ATOM 0 HD2 TYR A1212 5.272 -7.705 4.749 1.00 0.00 H new ATOM 0 HE1 TYR A1212 5.568 -5.282 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A1212 6.784 -8.501 2.991 1.00 0.00 H new ATOM 0 HH TYR A1212 7.580 -8.187 0.957 1.00 0.00 H new ATOM 440 N ASP A1213 1.633 -2.821 4.935 1.00 0.00 N ATOM 441 CA ASP A1213 0.381 -2.254 5.426 1.00 0.00 C ATOM 442 C ASP A1213 -0.815 -2.866 4.706 1.00 0.00 C ATOM 443 O ASP A1213 -1.872 -3.065 5.303 1.00 0.00 O ATOM 444 CB ASP A1213 0.361 -0.736 5.220 1.00 0.00 C ATOM 445 CG ASP A1213 1.138 0.020 6.277 1.00 0.00 C ATOM 446 OD1 ASP A1213 0.856 -0.157 7.475 1.00 0.00 O ATOM 447 OD2 ASP A1213 2.035 0.803 5.906 1.00 0.00 O ATOM 0 H ASP A1213 1.863 -2.551 3.979 1.00 0.00 H new ATOM 0 HA ASP A1213 0.313 -2.481 6.490 1.00 0.00 H new ATOM 0 HB2 ASP A1213 0.775 -0.504 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A1213 -0.672 -0.389 5.221 1.00 0.00 H new ATOM 452 N CYS A1214 -0.642 -3.163 3.421 1.00 0.00 N ATOM 453 CA CYS A1214 -1.731 -3.675 2.596 1.00 0.00 C ATOM 454 C CYS A1214 -1.999 -5.141 2.898 1.00 0.00 C ATOM 455 O CYS A1214 -1.087 -5.888 3.260 1.00 0.00 O ATOM 456 CB CYS A1214 -1.404 -3.512 1.109 1.00 0.00 C ATOM 457 SG CYS A1214 -2.536 -2.406 0.208 1.00 0.00 S ATOM 0 H CYS A1214 0.245 -3.057 2.928 1.00 0.00 H new ATOM 0 HA CYS A1214 -2.625 -3.097 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A1214 -0.388 -3.129 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A1214 -1.421 -4.494 0.636 1.00 0.00 H new ATOM 462 N ARG A1215 -3.253 -5.546 2.723 1.00 0.00 N ATOM 463 CA ARG A1215 -3.675 -6.922 2.962 1.00 0.00 C ATOM 464 C ARG A1215 -3.097 -7.880 1.924 1.00 0.00 C ATOM 465 O ARG A1215 -3.058 -9.091 2.145 1.00 0.00 O ATOM 466 CB ARG A1215 -5.197 -7.012 2.954 1.00 0.00 C ATOM 467 CG ARG A1215 -5.829 -6.608 4.271 1.00 0.00 C ATOM 468 CD ARG A1215 -7.341 -6.759 4.238 1.00 0.00 C ATOM 469 NE ARG A1215 -7.763 -8.127 3.926 1.00 0.00 N ATOM 470 CZ ARG A1215 -9.018 -8.568 4.049 1.00 0.00 C ATOM 471 NH1 ARG A1215 -9.984 -7.747 4.451 1.00 0.00 N ATOM 472 NH2 ARG A1215 -9.312 -9.831 3.757 1.00 0.00 N ATOM 0 H ARG A1215 -4.004 -4.930 2.412 1.00 0.00 H new ATOM 0 HA ARG A1215 -3.295 -7.217 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A1215 -5.587 -6.374 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A1215 -5.492 -8.034 2.716 1.00 0.00 H new ATOM 0 HG2 ARG A1215 -5.419 -7.220 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A1215 -5.571 -5.573 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A1215 -7.753 -6.467 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A1215 -7.755 -6.077 3.495 1.00 0.00 H new ATOM 0 HE ARG A1215 -7.055 -8.783 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A1215 -9.769 -6.774 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A1215 -10.940 -8.091 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A1215 -8.579 -10.465 3.439 1.00 0.00 H new ATOM 0 HH22 ARG A1215 -10.271 -10.166 3.851 1.00 0.00 H new ATOM 486 N ASP A1216 -2.653 -7.338 0.794 1.00 0.00 N ATOM 487 CA ASP A1216 -2.027 -8.144 -0.247 1.00 0.00 C ATOM 488 C ASP A1216 -0.527 -7.894 -0.287 1.00 0.00 C ATOM 489 O ASP A1216 0.178 -8.468 -1.115 1.00 0.00 O ATOM 490 CB ASP A1216 -2.636 -7.848 -1.618 1.00 0.00 C ATOM 491 CG ASP A1216 -3.204 -6.453 -1.728 1.00 0.00 C ATOM 492 OD1 ASP A1216 -2.415 -5.482 -1.707 1.00 0.00 O ATOM 493 OD2 ASP A1216 -4.440 -6.321 -1.843 1.00 0.00 O ATOM 0 H ASP A1216 -2.715 -6.343 0.576 1.00 0.00 H new ATOM 0 HA ASP A1216 -2.209 -9.191 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A1216 -1.873 -7.984 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A1216 -3.425 -8.572 -1.822 1.00 0.00 H new ATOM 498 N ASN A1217 -0.060 -7.015 0.610 1.00 0.00 N ATOM 499 CA ASN A1217 1.372 -6.708 0.774 1.00 0.00 C ATOM 500 C ASN A1217 1.962 -6.039 -0.471 1.00 0.00 C ATOM 501 O ASN A1217 3.154 -6.162 -0.743 1.00 0.00 O ATOM 502 CB ASN A1217 2.169 -7.984 1.104 1.00 0.00 C ATOM 503 CG ASN A1217 2.103 -8.402 2.566 1.00 0.00 C ATOM 504 OD1 ASN A1217 1.208 -7.804 3.340 1.00 0.00 O flip ATOM 505 ND2 ASN A1217 2.861 -9.271 2.997 1.00 0.00 N flip ATOM 0 H ASN A1217 -0.664 -6.494 1.245 1.00 0.00 H new ATOM 0 HA ASN A1217 1.453 -6.006 1.604 1.00 0.00 H new ATOM 0 HB2 ASN A1217 1.796 -8.801 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A1217 3.212 -7.828 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A1217 3.538 -9.711 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A1217 2.812 -9.551 3.977 1.00 0.00 H new ATOM 512 N SER A1218 1.132 -5.316 -1.214 1.00 0.00 N ATOM 513 CA SER A1218 1.577 -4.670 -2.445 1.00 0.00 C ATOM 514 C SER A1218 1.978 -3.214 -2.208 1.00 0.00 C ATOM 515 O SER A1218 2.341 -2.504 -3.144 1.00 0.00 O ATOM 516 CB SER A1218 0.480 -4.754 -3.505 1.00 0.00 C ATOM 517 OG SER A1218 -0.234 -5.974 -3.391 1.00 0.00 O ATOM 0 H SER A1218 0.150 -5.162 -0.987 1.00 0.00 H new ATOM 0 HA SER A1218 2.462 -5.199 -2.799 1.00 0.00 H new ATOM 0 HB2 SER A1218 -0.205 -3.914 -3.394 1.00 0.00 H new ATOM 0 HB3 SER A1218 0.921 -4.676 -4.499 1.00 0.00 H new ATOM 0 HG SER A1218 -1.000 -5.850 -2.792 1.00 0.00 H new ATOM 523 N ASP A1219 1.937 -2.785 -0.952 1.00 0.00 N ATOM 524 CA ASP A1219 2.286 -1.415 -0.594 1.00 0.00 C ATOM 525 C ASP A1219 3.795 -1.222 -0.617 1.00 0.00 C ATOM 526 O ASP A1219 4.287 -0.147 -0.960 1.00 0.00 O ATOM 527 CB ASP A1219 1.723 -1.047 0.784 1.00 0.00 C ATOM 528 CG ASP A1219 2.164 -1.993 1.884 1.00 0.00 C ATOM 529 OD1 ASP A1219 1.781 -3.190 1.836 1.00 0.00 O ATOM 530 OD2 ASP A1219 2.860 -1.556 2.802 1.00 0.00 O ATOM 0 H ASP A1219 1.664 -3.369 -0.161 1.00 0.00 H new ATOM 0 HA ASP A1219 1.839 -0.751 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A1219 2.036 -0.034 1.038 1.00 0.00 H new ATOM 0 HB3 ASP A1219 0.634 -1.041 0.734 1.00 0.00 H new ATOM 535 N GLU A1220 4.526 -2.266 -0.252 1.00 0.00 N ATOM 536 CA GLU A1220 5.979 -2.222 -0.291 1.00 0.00 C ATOM 537 C GLU A1220 6.503 -3.051 -1.455 1.00 0.00 C ATOM 538 O GLU A1220 7.697 -3.030 -1.762 1.00 0.00 O ATOM 539 CB GLU A1220 6.562 -2.727 1.026 1.00 0.00 C ATOM 540 CG GLU A1220 7.309 -1.668 1.812 1.00 0.00 C ATOM 541 CD GLU A1220 6.388 -0.741 2.570 1.00 0.00 C ATOM 542 OE1 GLU A1220 5.429 -0.208 1.979 1.00 0.00 O ATOM 543 OE2 GLU A1220 6.617 -0.515 3.767 1.00 0.00 O ATOM 0 H GLU A1220 4.137 -3.151 0.073 1.00 0.00 H new ATOM 0 HA GLU A1220 6.291 -1.187 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A1220 5.754 -3.121 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A1220 7.238 -3.556 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A1220 7.986 -2.154 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A1220 7.925 -1.082 1.129 1.00 0.00 H new ATOM 550 N ALA A1221 5.601 -3.784 -2.097 1.00 0.00 N ATOM 551 CA ALA A1221 5.947 -4.566 -3.271 1.00 0.00 C ATOM 552 C ALA A1221 5.923 -3.679 -4.511 1.00 0.00 C ATOM 553 O ALA A1221 4.890 -3.521 -5.165 1.00 0.00 O ATOM 554 CB ALA A1221 5.002 -5.750 -3.426 1.00 0.00 C ATOM 0 H ALA A1221 4.621 -3.851 -1.821 1.00 0.00 H new ATOM 0 HA ALA A1221 6.955 -4.961 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A1221 5.278 -6.323 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A1221 5.071 -6.388 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A1221 3.979 -5.388 -3.533 1.00 0.00 H new ATOM 560 N GLY A1222 7.069 -3.091 -4.805 1.00 0.00 N ATOM 561 CA GLY A1222 7.179 -2.166 -5.912 1.00 0.00 C ATOM 562 C GLY A1222 8.080 -0.998 -5.575 1.00 0.00 C ATOM 563 O GLY A1222 7.864 0.118 -6.041 1.00 0.00 O ATOM 0 H GLY A1222 7.937 -3.240 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A1222 7.570 -2.688 -6.785 1.00 0.00 H new ATOM 0 HA3 GLY A1222 6.189 -1.797 -6.178 1.00 0.00 H new ATOM 567 N CYS A1223 9.096 -1.256 -4.762 1.00 0.00 N ATOM 568 CA CYS A1223 10.000 -0.210 -4.308 1.00 0.00 C ATOM 569 C CYS A1223 10.993 0.161 -5.408 1.00 0.00 C ATOM 570 O CYS A1223 11.505 -0.716 -6.106 1.00 0.00 O ATOM 571 CB CYS A1223 10.744 -0.667 -3.052 1.00 0.00 C ATOM 572 SG CYS A1223 10.430 0.367 -1.583 1.00 0.00 S ATOM 0 H CYS A1223 9.314 -2.185 -4.403 1.00 0.00 H new ATOM 0 HA CYS A1223 9.411 0.675 -4.067 1.00 0.00 H new ATOM 0 HB2 CYS A1223 10.459 -1.695 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A1223 11.814 -0.671 -3.258 1.00 0.00 H new ATOM 577 N PRO A1224 11.264 1.467 -5.586 1.00 0.00 N ATOM 578 CA PRO A1224 12.186 1.951 -6.617 1.00 0.00 C ATOM 579 C PRO A1224 13.648 1.674 -6.273 1.00 0.00 C ATOM 580 O PRO A1224 14.067 1.806 -5.117 1.00 0.00 O ATOM 581 CB PRO A1224 11.912 3.456 -6.658 1.00 0.00 C ATOM 582 CG PRO A1224 11.421 3.794 -5.294 1.00 0.00 C ATOM 583 CD PRO A1224 10.687 2.578 -4.798 1.00 0.00 C ATOM 0 HA PRO A1224 12.028 1.451 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A1224 12.815 4.015 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A1224 11.169 3.702 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A1224 12.251 4.044 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A1224 10.762 4.662 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A1224 10.837 2.429 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A1224 9.613 2.666 -4.960 1.00 0.00 H new ATOM 591 N THR A1225 14.416 1.277 -7.275 1.00 0.00 N ATOM 592 CA THR A1225 15.822 0.980 -7.090 1.00 0.00 C ATOM 593 C THR A1225 16.646 2.264 -7.037 1.00 0.00 C ATOM 594 O THR A1225 16.796 2.968 -8.039 1.00 0.00 O ATOM 595 CB THR A1225 16.353 0.076 -8.216 1.00 0.00 C ATOM 596 OG1 THR A1225 15.420 0.045 -9.306 1.00 0.00 O ATOM 597 CG2 THR A1225 16.586 -1.338 -7.705 1.00 0.00 C ATOM 0 H THR A1225 14.083 1.153 -8.231 1.00 0.00 H new ATOM 0 HA THR A1225 15.920 0.453 -6.141 1.00 0.00 H new ATOM 0 HB THR A1225 17.302 0.485 -8.563 1.00 0.00 H new ATOM 0 HG1 THR A1225 15.353 0.938 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A1225 16.961 -1.961 -8.517 1.00 0.00 H new ATOM 0 HG22 THR A1225 17.316 -1.317 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A1225 15.647 -1.751 -7.335 1.00 0.00 H new ATOM 605 N ARG A1226 17.152 2.575 -5.857 1.00 0.00 N ATOM 606 CA ARG A1226 17.999 3.743 -5.670 1.00 0.00 C ATOM 607 C ARG A1226 19.454 3.304 -5.541 1.00 0.00 C ATOM 608 O ARG A1226 19.745 2.338 -4.833 1.00 0.00 O ATOM 609 CB ARG A1226 17.569 4.550 -4.434 1.00 0.00 C ATOM 610 CG ARG A1226 17.086 3.701 -3.269 1.00 0.00 C ATOM 611 CD ARG A1226 16.094 4.459 -2.405 1.00 0.00 C ATOM 612 NE ARG A1226 14.898 3.665 -2.117 1.00 0.00 N ATOM 613 CZ ARG A1226 13.726 4.185 -1.747 1.00 0.00 C ATOM 614 NH1 ARG A1226 13.575 5.501 -1.641 1.00 0.00 N ATOM 615 NH2 ARG A1226 12.702 3.382 -1.497 1.00 0.00 N ATOM 0 H ARG A1226 16.991 2.032 -5.008 1.00 0.00 H new ATOM 0 HA ARG A1226 17.894 4.391 -6.540 1.00 0.00 H new ATOM 0 HB2 ARG A1226 18.410 5.158 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A1226 16.773 5.237 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A1226 16.620 2.792 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A1226 17.938 3.394 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A1226 16.573 4.745 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A1226 15.804 5.381 -2.909 1.00 0.00 H new ATOM 0 HE ARG A1226 14.965 2.651 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A1226 14.358 6.122 -1.843 1.00 0.00 H new ATOM 0 HH12 ARG A1226 12.676 5.890 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A1226 12.812 2.372 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A1226 11.804 3.774 -1.214 1.00 0.00 H new ATOM 629 N PRO A1227 20.377 3.992 -6.242 1.00 0.00 N ATOM 630 CA PRO A1227 21.808 3.656 -6.226 1.00 0.00 C ATOM 631 C PRO A1227 22.418 3.773 -4.830 1.00 0.00 C ATOM 632 O PRO A1227 22.367 4.836 -4.211 1.00 0.00 O ATOM 633 CB PRO A1227 22.439 4.686 -7.173 1.00 0.00 C ATOM 634 CG PRO A1227 21.311 5.200 -7.998 1.00 0.00 C ATOM 635 CD PRO A1227 20.101 5.148 -7.114 1.00 0.00 C ATOM 0 HA PRO A1227 21.981 2.623 -6.528 1.00 0.00 H new ATOM 0 HB2 PRO A1227 22.918 5.491 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A1227 23.207 4.229 -7.797 1.00 0.00 H new ATOM 0 HG2 PRO A1227 21.505 6.218 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A1227 21.170 4.590 -8.890 1.00 0.00 H new ATOM 0 HD2 PRO A1227 19.981 6.067 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A1227 19.186 5.010 -7.690 1.00 0.00 H new ATOM 643 N PRO A1228 22.980 2.671 -4.309 1.00 0.00 N ATOM 644 CA PRO A1228 23.615 2.645 -2.994 1.00 0.00 C ATOM 645 C PRO A1228 25.011 3.267 -3.010 1.00 0.00 C ATOM 646 O PRO A1228 25.658 3.347 -4.060 1.00 0.00 O ATOM 647 CB PRO A1228 23.703 1.146 -2.657 1.00 0.00 C ATOM 648 CG PRO A1228 23.014 0.427 -3.772 1.00 0.00 C ATOM 649 CD PRO A1228 23.032 1.354 -4.948 1.00 0.00 C ATOM 0 HA PRO A1228 23.050 3.224 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A1228 24.742 0.827 -2.571 1.00 0.00 H new ATOM 0 HB3 PRO A1228 23.224 0.933 -1.701 1.00 0.00 H new ATOM 0 HG2 PRO A1228 23.525 -0.507 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A1228 21.991 0.170 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO A1228 23.932 1.230 -5.550 1.00 0.00 H new ATOM 0 HD3 PRO A1228 22.181 1.189 -5.609 1.00 0.00 H new ATOM 657 N GLY A1229 25.459 3.718 -1.848 1.00 0.00 N ATOM 658 CA GLY A1229 26.784 4.284 -1.726 1.00 0.00 C ATOM 659 C GLY A1229 27.817 3.233 -1.389 1.00 0.00 C ATOM 660 O GLY A1229 28.910 3.254 -1.987 1.00 0.00 O ATOM 661 OXT GLY A1229 27.535 2.371 -0.528 1.00 0.00 O ATOM 0 H GLY A1229 24.922 3.701 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A1229 27.057 4.775 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A1229 26.781 5.052 -0.952 1.00 0.00 H new TER 665 GLY A1229 HETATM 666 CA CA A1230 3.824 0.430 4.003 1.00 0.00 CA