USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 174 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 247 CYS SG : rot 80:sc= 0.134 USER MOD Set 1.2: A 250 CYS SG : rot -44:sc= 0.696 USER MOD Set 1.3: A 263 HIS : no HD1:sc= 0.494 K(o=0.96,f=-3.1!) USER MOD Set 1.4: A 267 CYS SG : rot 110:sc= -0.366 USER MOD Single : A 245 TYR OH : rot 165:sc= -0.139 USER MOD Single : A 249 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 SER OG : rot 180:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 259 SER OG : rot 180:sc= 0 USER MOD Single : A 264 GLN : amide:sc= -0.0698 K(o=-0.07,f=-0.7) USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PRO A 244 -0.274 5.600 -11.353 1.00 0.00 N ATOM 103 CA PRO A 244 -1.474 5.525 -10.515 1.00 0.00 C ATOM 104 C PRO A 244 -1.481 4.288 -9.623 1.00 0.00 C ATOM 105 O PRO A 244 -0.837 3.285 -9.931 1.00 0.00 O ATOM 106 CB PRO A 244 -2.615 5.456 -11.533 1.00 0.00 C ATOM 107 CG PRO A 244 -1.998 4.863 -12.753 1.00 0.00 C ATOM 108 CD PRO A 244 -0.554 5.255 -12.757 1.00 0.00 C ATOM 0 HA PRO A 244 -1.546 6.370 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 244 -3.437 4.841 -11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 244 -3.024 6.446 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 244 -2.102 3.778 -12.747 1.00 0.00 H new ATOM 0 HG3 PRO A 244 -2.497 5.226 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO A 244 0.080 4.438 -13.101 1.00 0.00 H new ATOM 0 HD3 PRO A 244 -0.372 6.101 -13.420 1.00 0.00 H new ATOM 116 N TYR A 245 -2.213 4.366 -8.517 1.00 0.00 N ATOM 117 CA TYR A 245 -2.302 3.253 -7.579 1.00 0.00 C ATOM 118 C TYR A 245 -3.571 2.440 -7.818 1.00 0.00 C ATOM 119 O TYR A 245 -4.531 2.927 -8.416 1.00 0.00 O ATOM 120 CB TYR A 245 -2.278 3.769 -6.139 1.00 0.00 C ATOM 121 CG TYR A 245 -0.969 4.420 -5.752 1.00 0.00 C ATOM 122 CD1 TYR A 245 0.240 3.765 -5.949 1.00 0.00 C ATOM 123 CD2 TYR A 245 -0.942 5.690 -5.188 1.00 0.00 C ATOM 124 CE1 TYR A 245 1.438 4.356 -5.595 1.00 0.00 C ATOM 125 CE2 TYR A 245 0.251 6.289 -4.833 1.00 0.00 C ATOM 126 CZ TYR A 245 1.439 5.618 -5.039 1.00 0.00 C ATOM 127 OH TYR A 245 2.629 6.210 -4.685 1.00 0.00 O ATOM 0 H TYR A 245 -2.753 5.188 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 245 -1.440 2.605 -7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -3.086 4.489 -6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.476 2.939 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 245 0.244 2.777 -6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.870 6.218 -5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 245 2.369 3.832 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 245 0.254 7.277 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 245 2.486 7.168 -4.535 1.00 0.00 H new ATOM 137 N LEU A 246 -3.567 1.198 -7.346 1.00 0.00 N ATOM 138 CA LEU A 246 -4.717 0.315 -7.507 1.00 0.00 C ATOM 139 C LEU A 246 -4.742 -0.750 -6.415 1.00 0.00 C ATOM 140 O LEU A 246 -3.788 -1.512 -6.254 1.00 0.00 O ATOM 141 CB LEU A 246 -4.685 -0.350 -8.884 1.00 0.00 C ATOM 142 CG LEU A 246 -5.190 0.499 -10.051 1.00 0.00 C ATOM 143 CD1 LEU A 246 -5.065 -0.265 -11.360 1.00 0.00 C ATOM 144 CD2 LEU A 246 -6.632 0.925 -9.816 1.00 0.00 C ATOM 0 H LEU A 246 -2.781 0.780 -6.849 1.00 0.00 H new ATOM 0 HA LEU A 246 -5.622 0.917 -7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -3.659 -0.650 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 246 -5.281 -1.261 -8.839 1.00 0.00 H new ATOM 0 HG LEU A 246 -4.573 1.395 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -5.429 0.355 -12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -4.020 -0.519 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -5.657 -1.179 -11.306 1.00 0.00 H new ATOM 0 HD21 LEU A 246 -6.975 1.528 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 246 -7.262 0.040 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 246 -6.693 1.512 -8.899 1.00 0.00 H new ATOM 156 N CYS A 247 -5.840 -0.799 -5.668 1.00 0.00 N ATOM 157 CA CYS A 247 -5.991 -1.771 -4.593 1.00 0.00 C ATOM 158 C CYS A 247 -5.928 -3.196 -5.135 1.00 0.00 C ATOM 159 O CYS A 247 -6.463 -3.490 -6.203 1.00 0.00 O ATOM 160 CB CYS A 247 -7.316 -1.551 -3.860 1.00 0.00 C ATOM 161 SG CYS A 247 -7.530 -2.592 -2.381 1.00 0.00 S ATOM 0 H CYS A 247 -6.639 -0.176 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 247 -5.168 -1.631 -3.892 1.00 0.00 H new ATOM 0 HB2 CYS A 247 -7.387 -0.503 -3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 247 -8.137 -1.746 -4.550 1.00 0.00 H new ATOM 0 HG CYS A 247 -6.872 -2.074 -1.387 1.00 0.00 H new ATOM 166 N GLY A 248 -5.269 -4.079 -4.390 1.00 0.00 N ATOM 167 CA GLY A 248 -5.148 -5.462 -4.811 1.00 0.00 C ATOM 168 C GLY A 248 -6.219 -6.348 -4.207 1.00 0.00 C ATOM 169 O GLY A 248 -6.001 -7.542 -4.001 1.00 0.00 O ATOM 0 H GLY A 248 -4.817 -3.860 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -5.208 -5.514 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -4.166 -5.840 -4.528 1.00 0.00 H new ATOM 173 N GLN A 249 -7.377 -5.763 -3.920 1.00 0.00 N ATOM 174 CA GLN A 249 -8.484 -6.508 -3.333 1.00 0.00 C ATOM 175 C GLN A 249 -9.789 -6.211 -4.064 1.00 0.00 C ATOM 176 O GLN A 249 -10.590 -7.111 -4.319 1.00 0.00 O ATOM 177 CB GLN A 249 -8.628 -6.165 -1.849 1.00 0.00 C ATOM 178 CG GLN A 249 -7.519 -6.739 -0.982 1.00 0.00 C ATOM 179 CD GLN A 249 -7.837 -8.131 -0.473 1.00 0.00 C ATOM 180 OE1 GLN A 249 -7.273 -9.120 -0.943 1.00 0.00 O ATOM 181 NE2 GLN A 249 -8.744 -8.216 0.492 1.00 0.00 N ATOM 0 H GLN A 249 -7.573 -4.776 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 249 -8.266 -7.571 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 249 -8.643 -5.081 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 249 -9.588 -6.537 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 249 -6.593 -6.769 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 249 -7.347 -6.077 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 249 -9.186 -7.370 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 249 -8.999 -9.127 0.874 1.00 0.00 H new ATOM 190 N CYS A 250 -9.998 -4.942 -4.398 1.00 0.00 N ATOM 191 CA CYS A 250 -11.206 -4.524 -5.100 1.00 0.00 C ATOM 192 C CYS A 250 -10.866 -3.928 -6.463 1.00 0.00 C ATOM 193 O CYS A 250 -11.580 -4.142 -7.441 1.00 0.00 O ATOM 194 CB CYS A 250 -11.979 -3.502 -4.263 1.00 0.00 C ATOM 195 SG CYS A 250 -10.963 -2.118 -3.655 1.00 0.00 S ATOM 0 H CYS A 250 -9.346 -4.185 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 250 -11.829 -5.405 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 250 -12.797 -3.102 -4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 250 -12.428 -4.012 -3.410 1.00 0.00 H new ATOM 0 HG CYS A 250 -9.830 -2.574 -3.209 1.00 0.00 H new ATOM 200 N GLY A 251 -9.768 -3.180 -6.518 1.00 0.00 N ATOM 201 CA GLY A 251 -9.352 -2.565 -7.765 1.00 0.00 C ATOM 202 C GLY A 251 -9.686 -1.088 -7.823 1.00 0.00 C ATOM 203 O GLY A 251 -9.883 -0.529 -8.902 1.00 0.00 O ATOM 0 H GLY A 251 -9.160 -2.989 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -8.277 -2.696 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -9.835 -3.076 -8.598 1.00 0.00 H new ATOM 207 N LYS A 252 -9.753 -0.451 -6.658 1.00 0.00 N ATOM 208 CA LYS A 252 -10.067 0.970 -6.579 1.00 0.00 C ATOM 209 C LYS A 252 -8.826 1.817 -6.844 1.00 0.00 C ATOM 210 O LYS A 252 -7.708 1.414 -6.524 1.00 0.00 O ATOM 211 CB LYS A 252 -10.645 1.311 -5.204 1.00 0.00 C ATOM 212 CG LYS A 252 -11.549 2.531 -5.209 1.00 0.00 C ATOM 213 CD LYS A 252 -12.225 2.730 -3.863 1.00 0.00 C ATOM 214 CE LYS A 252 -13.216 3.884 -3.902 1.00 0.00 C ATOM 215 NZ LYS A 252 -14.526 3.470 -4.477 1.00 0.00 N ATOM 0 H LYS A 252 -9.594 -0.898 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 252 -10.810 1.195 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -11.207 0.454 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -9.825 1.480 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -10.965 3.417 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -12.307 2.420 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -12.742 1.815 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -11.470 2.923 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -13.367 4.267 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -12.801 4.700 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -15.174 4.284 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -14.386 3.128 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -14.935 2.709 -3.898 1.00 0.00 H new ATOM 229 N SER A 253 -9.031 2.993 -7.429 1.00 0.00 N ATOM 230 CA SER A 253 -7.928 3.895 -7.739 1.00 0.00 C ATOM 231 C SER A 253 -7.716 4.900 -6.611 1.00 0.00 C ATOM 232 O SER A 253 -8.670 5.345 -5.972 1.00 0.00 O ATOM 233 CB SER A 253 -8.199 4.634 -9.051 1.00 0.00 C ATOM 234 OG SER A 253 -9.151 5.667 -8.867 1.00 0.00 O ATOM 0 H SER A 253 -9.951 3.343 -7.698 1.00 0.00 H new ATOM 0 HA SER A 253 -7.022 3.298 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 253 -7.269 5.056 -9.433 1.00 0.00 H new ATOM 0 HB3 SER A 253 -8.562 3.930 -9.800 1.00 0.00 H new ATOM 0 HG SER A 253 -9.306 6.125 -9.719 1.00 0.00 H new ATOM 240 N PHE A 254 -6.457 5.253 -6.371 1.00 0.00 N ATOM 241 CA PHE A 254 -6.117 6.205 -5.319 1.00 0.00 C ATOM 242 C PHE A 254 -5.017 7.156 -5.782 1.00 0.00 C ATOM 243 O PHE A 254 -3.961 6.725 -6.245 1.00 0.00 O ATOM 244 CB PHE A 254 -5.669 5.465 -4.058 1.00 0.00 C ATOM 245 CG PHE A 254 -6.774 4.697 -3.389 1.00 0.00 C ATOM 246 CD1 PHE A 254 -7.666 5.335 -2.543 1.00 0.00 C ATOM 247 CD2 PHE A 254 -6.920 3.336 -3.608 1.00 0.00 C ATOM 248 CE1 PHE A 254 -8.683 4.631 -1.926 1.00 0.00 C ATOM 249 CE2 PHE A 254 -7.936 2.628 -2.994 1.00 0.00 C ATOM 250 CZ PHE A 254 -8.818 3.276 -2.152 1.00 0.00 C ATOM 0 H PHE A 254 -5.656 4.894 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 254 -7.008 6.791 -5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 254 -4.864 4.777 -4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 254 -5.258 6.185 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 254 -7.566 6.395 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 254 -6.233 2.824 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 254 -9.371 5.141 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 254 -8.040 1.568 -3.173 1.00 0.00 H new ATOM 0 HZ PHE A 254 -9.612 2.724 -1.671 1.00 0.00 H new ATOM 260 N THR A 255 -5.273 8.454 -5.653 1.00 0.00 N ATOM 261 CA THR A 255 -4.308 9.468 -6.058 1.00 0.00 C ATOM 262 C THR A 255 -3.172 9.581 -5.048 1.00 0.00 C ATOM 263 O THR A 255 -2.042 9.911 -5.406 1.00 0.00 O ATOM 264 CB THR A 255 -4.975 10.847 -6.220 1.00 0.00 C ATOM 265 OG1 THR A 255 -6.118 10.740 -7.075 1.00 0.00 O ATOM 266 CG2 THR A 255 -3.995 11.857 -6.798 1.00 0.00 C ATOM 0 H THR A 255 -6.142 8.828 -5.271 1.00 0.00 H new ATOM 0 HA THR A 255 -3.905 9.153 -7.020 1.00 0.00 H new ATOM 0 HB THR A 255 -5.290 11.193 -5.235 1.00 0.00 H new ATOM 0 HG1 THR A 255 -6.538 11.620 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 255 -4.488 12.823 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 255 -3.140 11.957 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 255 -3.654 11.515 -7.775 1.00 0.00 H new ATOM 274 N GLN A 256 -3.480 9.304 -3.785 1.00 0.00 N ATOM 275 CA GLN A 256 -2.484 9.375 -2.723 1.00 0.00 C ATOM 276 C GLN A 256 -2.091 7.979 -2.250 1.00 0.00 C ATOM 277 O GLN A 256 -2.938 7.093 -2.131 1.00 0.00 O ATOM 278 CB GLN A 256 -3.019 10.193 -1.546 1.00 0.00 C ATOM 279 CG GLN A 256 -3.304 11.645 -1.894 1.00 0.00 C ATOM 280 CD GLN A 256 -3.324 12.544 -0.673 1.00 0.00 C ATOM 281 OE1 GLN A 256 -2.415 13.349 -0.467 1.00 0.00 O ATOM 282 NE2 GLN A 256 -4.363 12.412 0.143 1.00 0.00 N ATOM 0 H GLN A 256 -4.411 9.028 -3.473 1.00 0.00 H new ATOM 0 HA GLN A 256 -1.597 9.866 -3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 256 -3.935 9.730 -1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 256 -2.295 10.159 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 256 -2.547 12.003 -2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 256 -4.265 11.711 -2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 256 -5.093 11.732 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 256 -4.431 12.991 0.980 1.00 0.00 H new ATOM 291 N ARG A 257 -0.803 7.791 -1.983 1.00 0.00 N ATOM 292 CA ARG A 257 -0.299 6.502 -1.525 1.00 0.00 C ATOM 293 C ARG A 257 -0.780 6.201 -0.108 1.00 0.00 C ATOM 294 O ARG A 257 -0.945 5.042 0.270 1.00 0.00 O ATOM 295 CB ARG A 257 1.230 6.484 -1.570 1.00 0.00 C ATOM 296 CG ARG A 257 1.881 7.408 -0.553 1.00 0.00 C ATOM 297 CD ARG A 257 3.227 7.917 -1.044 1.00 0.00 C ATOM 298 NE ARG A 257 4.332 7.406 -0.239 1.00 0.00 N ATOM 299 CZ ARG A 257 4.861 6.198 -0.399 1.00 0.00 C ATOM 300 NH1 ARG A 257 4.388 5.382 -1.330 1.00 0.00 N ATOM 301 NH2 ARG A 257 5.866 5.805 0.374 1.00 0.00 N ATOM 0 H ARG A 257 -0.090 8.514 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 257 -0.685 5.732 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 257 1.578 5.466 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 257 1.559 6.769 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 257 1.222 8.253 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 257 2.013 6.877 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 257 3.369 7.622 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 257 3.234 9.007 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 257 4.719 8.010 0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 257 3.616 5.681 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 257 4.796 4.455 -1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 257 6.233 6.431 1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 257 6.272 4.877 0.251 1.00 0.00 H new ATOM 315 N GLY A 258 -1.003 7.255 0.671 1.00 0.00 N ATOM 316 CA GLY A 258 -1.463 7.083 2.037 1.00 0.00 C ATOM 317 C GLY A 258 -2.910 6.639 2.111 1.00 0.00 C ATOM 318 O GLY A 258 -3.296 5.907 3.022 1.00 0.00 O ATOM 0 H GLY A 258 -0.873 8.224 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 258 -0.835 6.347 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 258 -1.347 8.023 2.577 1.00 0.00 H new ATOM 322 N SER A 259 -3.713 7.083 1.149 1.00 0.00 N ATOM 323 CA SER A 259 -5.128 6.731 1.112 1.00 0.00 C ATOM 324 C SER A 259 -5.309 5.235 0.873 1.00 0.00 C ATOM 325 O SER A 259 -6.197 4.605 1.450 1.00 0.00 O ATOM 326 CB SER A 259 -5.844 7.524 0.017 1.00 0.00 C ATOM 327 OG SER A 259 -7.233 7.618 0.281 1.00 0.00 O ATOM 0 H SER A 259 -3.408 7.687 0.385 1.00 0.00 H new ATOM 0 HA SER A 259 -5.565 6.983 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 259 -5.415 8.524 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 259 -5.686 7.042 -0.948 1.00 0.00 H new ATOM 0 HG SER A 259 -7.668 8.130 -0.432 1.00 0.00 H new ATOM 333 N LEU A 260 -4.462 4.672 0.019 1.00 0.00 N ATOM 334 CA LEU A 260 -4.527 3.249 -0.298 1.00 0.00 C ATOM 335 C LEU A 260 -4.290 2.403 0.949 1.00 0.00 C ATOM 336 O LEU A 260 -4.940 1.377 1.147 1.00 0.00 O ATOM 337 CB LEU A 260 -3.495 2.898 -1.371 1.00 0.00 C ATOM 338 CG LEU A 260 -3.253 1.407 -1.607 1.00 0.00 C ATOM 339 CD1 LEU A 260 -4.513 0.739 -2.135 1.00 0.00 C ATOM 340 CD2 LEU A 260 -2.094 1.200 -2.570 1.00 0.00 C ATOM 0 H LEU A 260 -3.722 5.179 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 260 -5.525 3.031 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -3.812 3.348 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -2.546 3.361 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 260 -2.994 0.946 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -4.322 -0.322 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -5.318 0.856 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -4.803 1.203 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 260 -1.937 0.133 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -2.324 1.676 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -1.190 1.643 -2.152 1.00 0.00 H new ATOM 352 N ALA A 261 -3.357 2.841 1.787 1.00 0.00 N ATOM 353 CA ALA A 261 -3.038 2.126 3.016 1.00 0.00 C ATOM 354 C ALA A 261 -4.249 2.054 3.940 1.00 0.00 C ATOM 355 O ALA A 261 -4.721 0.968 4.277 1.00 0.00 O ATOM 356 CB ALA A 261 -1.869 2.793 3.727 1.00 0.00 C ATOM 0 H ALA A 261 -2.809 3.688 1.637 1.00 0.00 H new ATOM 0 HA ALA A 261 -2.755 1.107 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 261 -1.642 2.248 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 261 -0.995 2.787 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 261 -2.132 3.822 3.972 1.00 0.00 H new ATOM 362 N VAL A 262 -4.748 3.217 4.347 1.00 0.00 N ATOM 363 CA VAL A 262 -5.904 3.286 5.231 1.00 0.00 C ATOM 364 C VAL A 262 -7.063 2.458 4.686 1.00 0.00 C ATOM 365 O VAL A 262 -7.870 1.922 5.447 1.00 0.00 O ATOM 366 CB VAL A 262 -6.375 4.739 5.428 1.00 0.00 C ATOM 367 CG1 VAL A 262 -7.519 4.799 6.429 1.00 0.00 C ATOM 368 CG2 VAL A 262 -5.216 5.617 5.876 1.00 0.00 C ATOM 0 H VAL A 262 -4.369 4.125 4.078 1.00 0.00 H new ATOM 0 HA VAL A 262 -5.591 2.880 6.193 1.00 0.00 H new ATOM 0 HB VAL A 262 -6.740 5.118 4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 262 -7.838 5.834 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 262 -8.355 4.203 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 262 -7.185 4.403 7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 262 -5.566 6.641 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 262 -4.819 5.242 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 262 -4.432 5.598 5.119 1.00 0.00 H new ATOM 378 N HIS A 263 -7.139 2.356 3.363 1.00 0.00 N ATOM 379 CA HIS A 263 -8.199 1.591 2.715 1.00 0.00 C ATOM 380 C HIS A 263 -8.004 0.095 2.939 1.00 0.00 C ATOM 381 O HIS A 263 -8.926 -0.603 3.361 1.00 0.00 O ATOM 382 CB HIS A 263 -8.232 1.894 1.217 1.00 0.00 C ATOM 383 CG HIS A 263 -9.171 1.015 0.449 1.00 0.00 C ATOM 384 ND1 HIS A 263 -10.542 1.149 0.503 1.00 0.00 N ATOM 385 CD2 HIS A 263 -8.928 -0.014 -0.397 1.00 0.00 C ATOM 386 CE1 HIS A 263 -11.102 0.240 -0.274 1.00 0.00 C ATOM 387 NE2 HIS A 263 -10.144 -0.478 -0.833 1.00 0.00 N ATOM 0 H HIS A 263 -6.480 2.793 2.719 1.00 0.00 H new ATOM 0 HA HIS A 263 -9.150 1.886 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 263 -8.521 2.935 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 263 -7.227 1.782 0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 263 -7.958 -0.398 -0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 263 -12.163 0.106 -0.427 1.00 0.00 H new ATOM 0 HE2 HIS A 263 -10.285 -1.251 -1.483 1.00 0.00 H new ATOM 395 N GLN A 264 -6.800 -0.390 2.654 1.00 0.00 N ATOM 396 CA GLN A 264 -6.486 -1.804 2.823 1.00 0.00 C ATOM 397 C GLN A 264 -6.850 -2.278 4.226 1.00 0.00 C ATOM 398 O GLN A 264 -7.199 -3.441 4.428 1.00 0.00 O ATOM 399 CB GLN A 264 -5.001 -2.054 2.556 1.00 0.00 C ATOM 400 CG GLN A 264 -4.687 -2.362 1.101 1.00 0.00 C ATOM 401 CD GLN A 264 -3.437 -3.205 0.939 1.00 0.00 C ATOM 402 OE1 GLN A 264 -3.207 -4.147 1.699 1.00 0.00 O ATOM 403 NE2 GLN A 264 -2.622 -2.870 -0.053 1.00 0.00 N ATOM 0 H GLN A 264 -6.026 0.175 2.305 1.00 0.00 H new ATOM 0 HA GLN A 264 -7.077 -2.370 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -4.432 -1.176 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.664 -2.885 3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -5.533 -2.884 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -4.563 -1.427 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -2.852 -2.082 -0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -1.765 -3.401 -0.210 1.00 0.00 H new ATOM 412 N ARG A 265 -6.765 -1.369 5.193 1.00 0.00 N ATOM 413 CA ARG A 265 -7.083 -1.695 6.578 1.00 0.00 C ATOM 414 C ARG A 265 -8.472 -2.320 6.684 1.00 0.00 C ATOM 415 O ARG A 265 -8.637 -3.397 7.256 1.00 0.00 O ATOM 416 CB ARG A 265 -7.009 -0.441 7.449 1.00 0.00 C ATOM 417 CG ARG A 265 -5.664 0.266 7.386 1.00 0.00 C ATOM 418 CD ARG A 265 -5.467 1.195 8.574 1.00 0.00 C ATOM 419 NE ARG A 265 -4.088 1.663 8.679 1.00 0.00 N ATOM 420 CZ ARG A 265 -3.626 2.366 9.708 1.00 0.00 C ATOM 421 NH1 ARG A 265 -4.430 2.679 10.714 1.00 0.00 N ATOM 422 NH2 ARG A 265 -2.358 2.757 9.731 1.00 0.00 N ATOM 0 H ARG A 265 -6.479 -0.402 5.042 1.00 0.00 H new ATOM 0 HA ARG A 265 -6.349 -2.419 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 265 -7.790 0.253 7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 265 -7.218 -0.714 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 265 -4.864 -0.474 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 265 -5.595 0.837 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 265 -6.134 2.052 8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 265 -5.744 0.675 9.491 1.00 0.00 H new ATOM 0 HE ARG A 265 -3.444 1.438 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -5.405 2.380 10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -4.074 3.219 11.503 1.00 0.00 H new ATOM 0 HH21 ARG A 265 -1.737 2.518 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 265 -2.005 3.296 10.521 1.00 0.00 H new ATOM 436 N SER A 266 -9.467 -1.635 6.128 1.00 0.00 N ATOM 437 CA SER A 266 -10.841 -2.120 6.164 1.00 0.00 C ATOM 438 C SER A 266 -11.096 -3.115 5.036 1.00 0.00 C ATOM 439 O SER A 266 -11.751 -4.139 5.231 1.00 0.00 O ATOM 440 CB SER A 266 -11.820 -0.949 6.058 1.00 0.00 C ATOM 441 OG SER A 266 -11.504 0.067 6.995 1.00 0.00 O ATOM 0 H SER A 266 -9.347 -0.743 5.648 1.00 0.00 H new ATOM 0 HA SER A 266 -10.996 -2.629 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 266 -11.793 -0.538 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 266 -12.836 -1.304 6.230 1.00 0.00 H new ATOM 0 HG SER A 266 -12.143 0.805 6.906 1.00 0.00 H new ATOM 447 N CYS A 267 -10.574 -2.805 3.854 1.00 0.00 N ATOM 448 CA CYS A 267 -10.744 -3.669 2.692 1.00 0.00 C ATOM 449 C CYS A 267 -10.231 -5.077 2.982 1.00 0.00 C ATOM 450 O CYS A 267 -9.025 -5.324 2.967 1.00 0.00 O ATOM 451 CB CYS A 267 -10.010 -3.085 1.484 1.00 0.00 C ATOM 452 SG CYS A 267 -10.510 -3.809 -0.111 1.00 0.00 S ATOM 0 H CYS A 267 -10.029 -1.961 3.676 1.00 0.00 H new ATOM 0 HA CYS A 267 -11.809 -3.728 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 267 -10.183 -2.009 1.453 1.00 0.00 H new ATOM 0 HB3 CYS A 267 -8.938 -3.232 1.618 1.00 0.00 H new ATOM 0 HG CYS A 267 -11.177 -2.929 -0.797 1.00 0.00 H new