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 90:sc= 0.579 USER MOD Set 1.2: A 250 CYS SG : rot -47:sc= 1.17 USER MOD Set 1.3: A 263 HIS : no HD1:sc= 0.655 K(o=2.5,f=-2.7!) USER MOD Set 1.4: A 267 CYS SG : rot -164:sc= 0.0568 USER MOD Single : A 245 TYR OH : rot 180:sc= 0 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 -107:sc= 0.0197 USER MOD Single : A 264 GLN : amide:sc= -0.0235 K(o=-0.024,f=-1.1) USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PRO A 244 0.169 6.202 -10.649 1.00 0.00 N ATOM 103 CA PRO A 244 -1.167 5.838 -10.168 1.00 0.00 C ATOM 104 C PRO A 244 -1.138 4.637 -9.229 1.00 0.00 C ATOM 105 O PRO A 244 -0.161 3.889 -9.193 1.00 0.00 O ATOM 106 CB PRO A 244 -1.925 5.494 -11.453 1.00 0.00 C ATOM 107 CG PRO A 244 -0.868 5.069 -12.413 1.00 0.00 C ATOM 108 CD PRO A 244 0.385 5.802 -12.049 1.00 0.00 C ATOM 0 HA PRO A 244 -1.624 6.640 -9.589 1.00 0.00 H new ATOM 0 HB2 PRO A 244 -2.650 4.698 -11.284 1.00 0.00 H new ATOM 0 HB3 PRO A 244 -2.479 6.355 -11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 244 -0.712 3.992 -12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 244 -1.164 5.299 -13.437 1.00 0.00 H new ATOM 0 HD2 PRO A 244 1.264 5.165 -12.151 1.00 0.00 H new ATOM 0 HD3 PRO A 244 0.542 6.668 -12.692 1.00 0.00 H new ATOM 116 N TYR A 245 -2.215 4.458 -8.472 1.00 0.00 N ATOM 117 CA TYR A 245 -2.311 3.348 -7.531 1.00 0.00 C ATOM 118 C TYR A 245 -3.565 2.519 -7.793 1.00 0.00 C ATOM 119 O TYR A 245 -4.518 2.991 -8.415 1.00 0.00 O ATOM 120 CB TYR A 245 -2.324 3.870 -6.093 1.00 0.00 C ATOM 121 CG TYR A 245 -1.035 4.547 -5.684 1.00 0.00 C ATOM 122 CD1 TYR A 245 0.048 3.806 -5.227 1.00 0.00 C ATOM 123 CD2 TYR A 245 -0.900 5.928 -5.756 1.00 0.00 C ATOM 124 CE1 TYR A 245 1.227 4.420 -4.851 1.00 0.00 C ATOM 125 CE2 TYR A 245 0.276 6.551 -5.383 1.00 0.00 C ATOM 126 CZ TYR A 245 1.336 5.793 -4.931 1.00 0.00 C ATOM 127 OH TYR A 245 2.509 6.408 -4.559 1.00 0.00 O ATOM 0 H TYR A 245 -3.033 5.067 -8.492 1.00 0.00 H new ATOM 0 HA TYR A 245 -1.438 2.710 -7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -3.147 4.575 -5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.519 3.039 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -0.033 2.731 -5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.728 6.525 -6.109 1.00 0.00 H new ATOM 0 HE1 TYR A 245 2.058 3.829 -4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 245 0.364 7.626 -5.445 1.00 0.00 H new ATOM 0 HH TYR A 245 2.422 7.377 -4.676 1.00 0.00 H new ATOM 137 N LEU A 246 -3.557 1.280 -7.315 1.00 0.00 N ATOM 138 CA LEU A 246 -4.693 0.382 -7.496 1.00 0.00 C ATOM 139 C LEU A 246 -4.730 -0.678 -6.400 1.00 0.00 C ATOM 140 O LEU A 246 -3.733 -1.353 -6.141 1.00 0.00 O ATOM 141 CB LEU A 246 -4.624 -0.289 -8.869 1.00 0.00 C ATOM 142 CG LEU A 246 -5.113 0.548 -10.051 1.00 0.00 C ATOM 143 CD1 LEU A 246 -4.950 -0.220 -11.353 1.00 0.00 C ATOM 144 CD2 LEU A 246 -6.564 0.959 -9.850 1.00 0.00 C ATOM 0 H LEU A 246 -2.777 0.874 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 246 -5.606 0.974 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -3.590 -0.579 -9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 246 -5.211 -1.207 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 246 -4.505 1.451 -10.108 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -5.303 0.392 -12.183 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -3.898 -0.462 -11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -5.532 -1.141 -11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 246 -6.895 1.554 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 246 -7.186 0.068 -9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 246 -6.652 1.550 -8.938 1.00 0.00 H new ATOM 156 N CYS A 247 -5.886 -0.820 -5.760 1.00 0.00 N ATOM 157 CA CYS A 247 -6.054 -1.799 -4.693 1.00 0.00 C ATOM 158 C CYS A 247 -5.992 -3.221 -5.244 1.00 0.00 C ATOM 159 O CYS A 247 -6.528 -3.507 -6.314 1.00 0.00 O ATOM 160 CB CYS A 247 -7.386 -1.577 -3.974 1.00 0.00 C ATOM 161 SG CYS A 247 -7.589 -2.570 -2.461 1.00 0.00 S ATOM 0 H CYS A 247 -6.720 -0.269 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 247 -5.238 -1.668 -3.982 1.00 0.00 H new ATOM 0 HB2 CYS A 247 -7.477 -0.521 -3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 247 -8.200 -1.810 -4.660 1.00 0.00 H new ATOM 0 HG CYS A 247 -7.130 -1.907 -1.442 1.00 0.00 H new ATOM 166 N GLY A 248 -5.335 -4.109 -4.505 1.00 0.00 N ATOM 167 CA GLY A 248 -5.215 -5.489 -4.935 1.00 0.00 C ATOM 168 C GLY A 248 -6.291 -6.377 -4.341 1.00 0.00 C ATOM 169 O GLY A 248 -6.090 -7.580 -4.177 1.00 0.00 O ATOM 0 H GLY A 248 -4.883 -3.897 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -5.271 -5.534 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -4.235 -5.871 -4.650 1.00 0.00 H new ATOM 173 N GLN A 249 -7.434 -5.782 -4.017 1.00 0.00 N ATOM 174 CA GLN A 249 -8.544 -6.528 -3.436 1.00 0.00 C ATOM 175 C GLN A 249 -9.853 -6.199 -4.147 1.00 0.00 C ATOM 176 O GLN A 249 -10.666 -7.084 -4.416 1.00 0.00 O ATOM 177 CB GLN A 249 -8.669 -6.217 -1.943 1.00 0.00 C ATOM 178 CG GLN A 249 -7.581 -6.855 -1.096 1.00 0.00 C ATOM 179 CD GLN A 249 -7.954 -8.242 -0.613 1.00 0.00 C ATOM 180 OE1 GLN A 249 -8.669 -8.396 0.378 1.00 0.00 O ATOM 181 NE2 GLN A 249 -7.472 -9.263 -1.313 1.00 0.00 N ATOM 0 H GLN A 249 -7.616 -4.787 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 249 -8.340 -7.591 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 249 -8.641 -5.137 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 249 -9.641 -6.560 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 249 -6.661 -6.912 -1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 249 -7.376 -6.218 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 249 -6.883 -9.090 -2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 249 -7.691 -10.220 -1.036 1.00 0.00 H new ATOM 190 N CYS A 250 -10.051 -4.920 -4.450 1.00 0.00 N ATOM 191 CA CYS A 250 -11.260 -4.473 -5.129 1.00 0.00 C ATOM 192 C CYS A 250 -10.932 -3.900 -6.505 1.00 0.00 C ATOM 193 O CYS A 250 -11.691 -4.070 -7.458 1.00 0.00 O ATOM 194 CB CYS A 250 -11.985 -3.421 -4.286 1.00 0.00 C ATOM 195 SG CYS A 250 -10.930 -2.028 -3.768 1.00 0.00 S ATOM 0 H CYS A 250 -9.388 -4.175 -4.235 1.00 0.00 H new ATOM 0 HA CYS A 250 -11.912 -5.336 -5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 250 -12.828 -3.032 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 250 -12.395 -3.902 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 250 -9.807 -2.485 -3.299 1.00 0.00 H new ATOM 200 N GLY A 251 -9.793 -3.219 -6.600 1.00 0.00 N ATOM 201 CA GLY A 251 -9.383 -2.632 -7.862 1.00 0.00 C ATOM 202 C GLY A 251 -9.717 -1.156 -7.950 1.00 0.00 C ATOM 203 O GLY A 251 -9.927 -0.623 -9.039 1.00 0.00 O ATOM 0 H GLY A 251 -9.148 -3.064 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -8.309 -2.767 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -9.870 -3.161 -8.681 1.00 0.00 H new ATOM 207 N LYS A 252 -9.768 -0.493 -6.799 1.00 0.00 N ATOM 208 CA LYS A 252 -10.080 0.931 -6.749 1.00 0.00 C ATOM 209 C LYS A 252 -8.829 1.770 -6.992 1.00 0.00 C ATOM 210 O LYS A 252 -7.720 1.363 -6.647 1.00 0.00 O ATOM 211 CB LYS A 252 -10.694 1.292 -5.395 1.00 0.00 C ATOM 212 CG LYS A 252 -10.945 2.780 -5.218 1.00 0.00 C ATOM 213 CD LYS A 252 -12.017 3.045 -4.175 1.00 0.00 C ATOM 214 CE LYS A 252 -12.697 4.386 -4.402 1.00 0.00 C ATOM 215 NZ LYS A 252 -14.007 4.470 -3.698 1.00 0.00 N ATOM 0 H LYS A 252 -9.597 -0.919 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 252 -10.801 1.148 -7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -11.636 0.757 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -10.031 0.947 -4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -10.019 3.273 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -11.248 3.215 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -12.761 2.249 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -11.571 3.026 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -12.045 5.187 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -12.848 4.540 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -14.439 5.399 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -14.638 3.721 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -13.860 4.348 -2.676 1.00 0.00 H new ATOM 229 N SER A 253 -9.017 2.944 -7.587 1.00 0.00 N ATOM 230 CA SER A 253 -7.903 3.840 -7.877 1.00 0.00 C ATOM 231 C SER A 253 -7.703 4.843 -6.746 1.00 0.00 C ATOM 232 O SER A 253 -8.659 5.246 -6.082 1.00 0.00 O ATOM 233 CB SER A 253 -8.147 4.580 -9.194 1.00 0.00 C ATOM 234 OG SER A 253 -9.401 5.241 -9.183 1.00 0.00 O ATOM 0 H SER A 253 -9.929 3.297 -7.877 1.00 0.00 H new ATOM 0 HA SER A 253 -6.999 3.238 -7.968 1.00 0.00 H new ATOM 0 HB2 SER A 253 -7.351 5.306 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 253 -8.112 3.874 -10.024 1.00 0.00 H new ATOM 0 HG SER A 253 -9.532 5.708 -10.035 1.00 0.00 H new ATOM 240 N PHE A 254 -6.454 5.243 -6.532 1.00 0.00 N ATOM 241 CA PHE A 254 -6.127 6.199 -5.480 1.00 0.00 C ATOM 242 C PHE A 254 -5.003 7.132 -5.923 1.00 0.00 C ATOM 243 O PHE A 254 -4.018 6.696 -6.520 1.00 0.00 O ATOM 244 CB PHE A 254 -5.721 5.464 -4.202 1.00 0.00 C ATOM 245 CG PHE A 254 -6.815 4.609 -3.628 1.00 0.00 C ATOM 246 CD1 PHE A 254 -7.756 5.150 -2.768 1.00 0.00 C ATOM 247 CD2 PHE A 254 -6.901 3.264 -3.950 1.00 0.00 C ATOM 248 CE1 PHE A 254 -8.764 4.366 -2.239 1.00 0.00 C ATOM 249 CE2 PHE A 254 -7.907 2.475 -3.424 1.00 0.00 C ATOM 250 CZ PHE A 254 -8.839 3.027 -2.567 1.00 0.00 C ATOM 0 H PHE A 254 -5.652 4.920 -7.073 1.00 0.00 H new ATOM 0 HA PHE A 254 -7.015 6.798 -5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 254 -4.854 4.838 -4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 254 -5.412 6.195 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 254 -7.702 6.197 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 254 -6.174 2.827 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 254 -9.492 4.800 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 254 -7.964 1.428 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 254 -9.625 2.412 -2.154 1.00 0.00 H new ATOM 260 N THR A 255 -5.159 8.418 -5.627 1.00 0.00 N ATOM 261 CA THR A 255 -4.159 9.413 -5.995 1.00 0.00 C ATOM 262 C THR A 255 -3.135 9.602 -4.882 1.00 0.00 C ATOM 263 O THR A 255 -1.999 10.002 -5.134 1.00 0.00 O ATOM 264 CB THR A 255 -4.811 10.772 -6.314 1.00 0.00 C ATOM 265 OG1 THR A 255 -3.803 11.731 -6.655 1.00 0.00 O ATOM 266 CG2 THR A 255 -5.617 11.277 -5.127 1.00 0.00 C ATOM 0 H THR A 255 -5.968 8.795 -5.134 1.00 0.00 H new ATOM 0 HA THR A 255 -3.656 9.041 -6.887 1.00 0.00 H new ATOM 0 HB THR A 255 -5.485 10.637 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 255 -4.226 12.592 -6.858 1.00 0.00 H new ATOM 0 HG21 THR A 255 -6.068 12.238 -5.376 1.00 0.00 H new ATOM 0 HG22 THR A 255 -6.401 10.559 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 255 -4.960 11.397 -4.266 1.00 0.00 H new ATOM 274 N GLN A 256 -3.545 9.311 -3.652 1.00 0.00 N ATOM 275 CA GLN A 256 -2.661 9.449 -2.500 1.00 0.00 C ATOM 276 C GLN A 256 -2.288 8.083 -1.934 1.00 0.00 C ATOM 277 O GLN A 256 -3.158 7.265 -1.636 1.00 0.00 O ATOM 278 CB GLN A 256 -3.329 10.298 -1.417 1.00 0.00 C ATOM 279 CG GLN A 256 -3.335 11.786 -1.728 1.00 0.00 C ATOM 280 CD GLN A 256 -3.673 12.634 -0.518 1.00 0.00 C ATOM 281 OE1 GLN A 256 -4.707 12.439 0.121 1.00 0.00 O ATOM 282 NE2 GLN A 256 -2.802 13.583 -0.197 1.00 0.00 N ATOM 0 H GLN A 256 -4.483 8.978 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 256 -1.749 9.946 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 256 -4.356 9.959 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 256 -2.814 10.135 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 256 -2.356 12.077 -2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 256 -4.058 11.985 -2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 256 -1.957 13.710 -0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 256 -2.977 14.185 0.607 1.00 0.00 H new ATOM 291 N ARG A 257 -0.989 7.844 -1.787 1.00 0.00 N ATOM 292 CA ARG A 257 -0.500 6.576 -1.258 1.00 0.00 C ATOM 293 C ARG A 257 -1.113 6.286 0.109 1.00 0.00 C ATOM 294 O ARG A 257 -1.602 5.185 0.360 1.00 0.00 O ATOM 295 CB ARG A 257 1.026 6.598 -1.150 1.00 0.00 C ATOM 296 CG ARG A 257 1.661 5.219 -1.215 1.00 0.00 C ATOM 297 CD ARG A 257 1.754 4.584 0.164 1.00 0.00 C ATOM 298 NE ARG A 257 2.933 5.037 0.897 1.00 0.00 N ATOM 299 CZ ARG A 257 3.106 4.847 2.200 1.00 0.00 C ATOM 300 NH1 ARG A 257 2.181 4.216 2.910 1.00 0.00 N ATOM 301 NH2 ARG A 257 4.206 5.289 2.796 1.00 0.00 N ATOM 0 H ARG A 257 -0.256 8.512 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 257 -0.797 5.785 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 257 1.430 7.213 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 257 1.309 7.075 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 257 1.075 4.578 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 257 2.658 5.296 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 257 0.857 4.825 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 257 1.785 3.499 0.062 1.00 0.00 H new ATOM 0 HE ARG A 257 3.664 5.526 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 257 1.334 3.875 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 257 2.317 4.071 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 257 4.920 5.775 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 257 4.338 5.143 3.797 1.00 0.00 H new ATOM 315 N GLY A 258 -1.083 7.281 0.989 1.00 0.00 N ATOM 316 CA GLY A 258 -1.637 7.112 2.320 1.00 0.00 C ATOM 317 C GLY A 258 -3.068 6.612 2.292 1.00 0.00 C ATOM 318 O GLY A 258 -3.501 5.899 3.197 1.00 0.00 O ATOM 0 H GLY A 258 -0.685 8.202 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 258 -1.021 6.409 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 258 -1.598 8.064 2.850 1.00 0.00 H new ATOM 322 N SER A 259 -3.805 6.987 1.251 1.00 0.00 N ATOM 323 CA SER A 259 -5.197 6.575 1.112 1.00 0.00 C ATOM 324 C SER A 259 -5.297 5.075 0.855 1.00 0.00 C ATOM 325 O SER A 259 -6.131 4.386 1.443 1.00 0.00 O ATOM 326 CB SER A 259 -5.867 7.345 -0.027 1.00 0.00 C ATOM 327 OG SER A 259 -7.278 7.306 0.091 1.00 0.00 O ATOM 0 H SER A 259 -3.461 7.575 0.492 1.00 0.00 H new ATOM 0 HA SER A 259 -5.712 6.801 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 259 -5.527 8.381 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 259 -5.567 6.918 -0.984 1.00 0.00 H new ATOM 0 HG SER A 259 -7.647 6.709 -0.593 1.00 0.00 H new ATOM 333 N LEU A 260 -4.440 4.574 -0.028 1.00 0.00 N ATOM 334 CA LEU A 260 -4.430 3.155 -0.365 1.00 0.00 C ATOM 335 C LEU A 260 -4.153 2.304 0.871 1.00 0.00 C ATOM 336 O LEU A 260 -4.782 1.266 1.076 1.00 0.00 O ATOM 337 CB LEU A 260 -3.377 2.872 -1.438 1.00 0.00 C ATOM 338 CG LEU A 260 -3.106 1.398 -1.741 1.00 0.00 C ATOM 339 CD1 LEU A 260 -4.352 0.731 -2.303 1.00 0.00 C ATOM 340 CD2 LEU A 260 -1.941 1.258 -2.710 1.00 0.00 C ATOM 0 H LEU A 260 -3.743 5.130 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 260 -5.414 2.892 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -3.688 3.361 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -2.440 3.337 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 260 -2.840 0.898 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -4.140 -0.317 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -5.161 0.799 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -4.649 1.232 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 260 -1.762 0.202 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -2.178 1.773 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -1.047 1.699 -2.270 1.00 0.00 H new ATOM 352 N ALA A 261 -3.209 2.752 1.692 1.00 0.00 N ATOM 353 CA ALA A 261 -2.852 2.034 2.910 1.00 0.00 C ATOM 354 C ALA A 261 -4.050 1.911 3.845 1.00 0.00 C ATOM 355 O ALA A 261 -4.490 0.807 4.164 1.00 0.00 O ATOM 356 CB ALA A 261 -1.698 2.732 3.615 1.00 0.00 C ATOM 0 H ALA A 261 -2.678 3.609 1.536 1.00 0.00 H new ATOM 0 HA ALA A 261 -2.537 1.028 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 261 -1.442 2.185 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 261 -0.832 2.762 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 261 -1.992 3.749 3.875 1.00 0.00 H new ATOM 362 N VAL A 262 -4.572 3.052 4.283 1.00 0.00 N ATOM 363 CA VAL A 262 -5.720 3.072 5.183 1.00 0.00 C ATOM 364 C VAL A 262 -6.882 2.268 4.609 1.00 0.00 C ATOM 365 O VAL A 262 -7.639 1.637 5.347 1.00 0.00 O ATOM 366 CB VAL A 262 -6.192 4.512 5.458 1.00 0.00 C ATOM 367 CG1 VAL A 262 -7.345 4.515 6.451 1.00 0.00 C ATOM 368 CG2 VAL A 262 -5.038 5.363 5.966 1.00 0.00 C ATOM 0 H VAL A 262 -4.219 3.975 4.030 1.00 0.00 H new ATOM 0 HA VAL A 262 -5.396 2.619 6.120 1.00 0.00 H new ATOM 0 HB VAL A 262 -6.548 4.944 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 262 -7.665 5.541 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 262 -8.178 3.942 6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 262 -7.019 4.065 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 262 -5.390 6.377 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 262 -4.650 4.935 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 262 -4.246 5.387 5.217 1.00 0.00 H new ATOM 378 N HIS A 263 -7.017 2.296 3.287 1.00 0.00 N ATOM 379 CA HIS A 263 -8.087 1.569 2.613 1.00 0.00 C ATOM 380 C HIS A 263 -7.884 0.062 2.741 1.00 0.00 C ATOM 381 O HIS A 263 -8.842 -0.688 2.927 1.00 0.00 O ATOM 382 CB HIS A 263 -8.149 1.963 1.137 1.00 0.00 C ATOM 383 CG HIS A 263 -9.104 1.134 0.335 1.00 0.00 C ATOM 384 ND1 HIS A 263 -10.474 1.214 0.478 1.00 0.00 N ATOM 385 CD2 HIS A 263 -8.881 0.205 -0.624 1.00 0.00 C ATOM 386 CE1 HIS A 263 -11.051 0.369 -0.357 1.00 0.00 C ATOM 387 NE2 HIS A 263 -10.107 -0.256 -1.037 1.00 0.00 N ATOM 0 H HIS A 263 -6.399 2.814 2.662 1.00 0.00 H new ATOM 0 HA HIS A 263 -9.030 1.833 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 263 -8.438 3.011 1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 263 -7.153 1.875 0.704 1.00 0.00 H new ATOM 0 HD2 HIS A 263 -7.918 -0.114 -0.995 1.00 0.00 H new ATOM 0 HE1 HIS A 263 -12.114 0.215 -0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 263 -10.263 -0.966 -1.753 1.00 0.00 H new ATOM 395 N GLN A 264 -6.632 -0.373 2.640 1.00 0.00 N ATOM 396 CA GLN A 264 -6.306 -1.790 2.743 1.00 0.00 C ATOM 397 C GLN A 264 -6.752 -2.355 4.087 1.00 0.00 C ATOM 398 O GLN A 264 -7.030 -3.548 4.209 1.00 0.00 O ATOM 399 CB GLN A 264 -4.802 -2.003 2.561 1.00 0.00 C ATOM 400 CG GLN A 264 -4.367 -2.054 1.105 1.00 0.00 C ATOM 401 CD GLN A 264 -3.038 -2.761 0.918 1.00 0.00 C ATOM 402 OE1 GLN A 264 -2.342 -3.065 1.886 1.00 0.00 O ATOM 403 NE2 GLN A 264 -2.680 -3.027 -0.333 1.00 0.00 N ATOM 0 H GLN A 264 -5.828 0.235 2.487 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.839 -2.318 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -4.266 -1.198 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.513 -2.933 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -5.131 -2.564 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -4.292 -1.038 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -3.288 -2.757 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -1.797 -3.502 -0.521 1.00 0.00 H new ATOM 412 N ARG A 265 -6.818 -1.490 5.095 1.00 0.00 N ATOM 413 CA ARG A 265 -7.229 -1.904 6.431 1.00 0.00 C ATOM 414 C ARG A 265 -8.678 -2.381 6.430 1.00 0.00 C ATOM 415 O ARG A 265 -8.970 -3.512 6.818 1.00 0.00 O ATOM 416 CB ARG A 265 -7.061 -0.749 7.419 1.00 0.00 C ATOM 417 CG ARG A 265 -5.640 -0.217 7.500 1.00 0.00 C ATOM 418 CD ARG A 265 -5.433 0.637 8.741 1.00 0.00 C ATOM 419 NE ARG A 265 -4.021 0.756 9.095 1.00 0.00 N ATOM 420 CZ ARG A 265 -3.341 -0.191 9.731 1.00 0.00 C ATOM 421 NH1 ARG A 265 -3.940 -1.321 10.081 1.00 0.00 N ATOM 422 NH2 ARG A 265 -2.058 -0.009 10.018 1.00 0.00 N ATOM 0 H ARG A 265 -6.592 -0.499 5.011 1.00 0.00 H new ATOM 0 HA ARG A 265 -6.592 -2.733 6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 265 -7.728 0.064 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 265 -7.372 -1.081 8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 265 -4.938 -1.051 7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 265 -5.420 0.373 6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 265 -5.849 1.630 8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 265 -5.981 0.201 9.577 1.00 0.00 H new ATOM 0 HE ARG A 265 -3.530 1.613 8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -4.926 -1.465 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -3.415 -2.046 10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 265 -1.594 0.859 9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 265 -1.536 -0.737 10.507 1.00 0.00 H new ATOM 436 N SER A 266 -9.582 -1.510 5.993 1.00 0.00 N ATOM 437 CA SER A 266 -11.002 -1.841 5.947 1.00 0.00 C ATOM 438 C SER A 266 -11.297 -2.811 4.806 1.00 0.00 C ATOM 439 O SER A 266 -12.223 -3.618 4.886 1.00 0.00 O ATOM 440 CB SER A 266 -11.838 -0.571 5.780 1.00 0.00 C ATOM 441 OG SER A 266 -12.008 0.095 7.020 1.00 0.00 O ATOM 0 H SER A 266 -9.357 -0.570 5.666 1.00 0.00 H new ATOM 0 HA SER A 266 -11.268 -2.322 6.888 1.00 0.00 H new ATOM 0 HB2 SER A 266 -11.352 0.097 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 266 -12.813 -0.826 5.364 1.00 0.00 H new ATOM 0 HG SER A 266 -12.544 0.904 6.886 1.00 0.00 H new ATOM 447 N CYS A 267 -10.502 -2.725 3.745 1.00 0.00 N ATOM 448 CA CYS A 267 -10.676 -3.593 2.587 1.00 0.00 C ATOM 449 C CYS A 267 -10.127 -4.989 2.866 1.00 0.00 C ATOM 450 O CYS A 267 -9.159 -5.423 2.242 1.00 0.00 O ATOM 451 CB CYS A 267 -9.977 -2.994 1.364 1.00 0.00 C ATOM 452 SG CYS A 267 -10.558 -3.664 -0.227 1.00 0.00 S ATOM 0 H CYS A 267 -9.731 -2.063 3.663 1.00 0.00 H new ATOM 0 HA CYS A 267 -11.744 -3.675 2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 267 -10.125 -1.914 1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 267 -8.905 -3.169 1.450 1.00 0.00 H new ATOM 0 HG CYS A 267 -9.705 -3.364 -1.161 1.00 0.00 H new