USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=9 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= 0.721 USER MOD Set 1.2: A 250 CYS SG : rot -49:sc= 1.22 USER MOD Set 1.3: A 263 HIS : no HD1:sc= 0.652 K(o=2.5,f=-2.7!) USER MOD Set 1.4: A 267 CYS SG : rot -162:sc= -0.0794 USER MOD Single : A 245 TYR OH : rot 30:sc= -0.352 USER MOD Single : A 249 GLN : amide:sc= 0.403 X(o=0.4,f=0) USER MOD Single : A 252 LYS NZ :NH3+ -133:sc= 0.108 (180deg=0) USER MOD Single : A 253 SER OG : rot 180:sc= 0.0256 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 X(o=0,f=-0.36) USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N PRO A 244 -0.141 6.148 -10.613 1.00 0.00 N ATOM 103 CA PRO A 244 -1.497 5.656 -10.352 1.00 0.00 C ATOM 104 C PRO A 244 -1.509 4.473 -9.390 1.00 0.00 C ATOM 105 O PRO A 244 -0.787 3.495 -9.584 1.00 0.00 O ATOM 106 CB PRO A 244 -1.990 5.225 -11.736 1.00 0.00 C ATOM 107 CG PRO A 244 -0.750 4.900 -12.495 1.00 0.00 C ATOM 108 CD PRO A 244 0.344 5.761 -11.948 1.00 0.00 C ATOM 0 HA PRO A 244 -2.122 6.413 -9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 244 -2.651 4.361 -11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 244 -2.554 6.022 -12.221 1.00 0.00 H new ATOM 0 HG2 PRO A 244 -0.499 3.845 -12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 244 -0.891 5.087 -13.560 1.00 0.00 H new ATOM 0 HD2 PRO A 244 1.287 5.218 -11.888 1.00 0.00 H new ATOM 0 HD3 PRO A 244 0.518 6.633 -12.578 1.00 0.00 H new ATOM 116 N TYR A 245 -2.334 4.569 -8.353 1.00 0.00 N ATOM 117 CA TYR A 245 -2.438 3.507 -7.359 1.00 0.00 C ATOM 118 C TYR A 245 -3.619 2.590 -7.663 1.00 0.00 C ATOM 119 O TYR A 245 -4.548 2.970 -8.378 1.00 0.00 O ATOM 120 CB TYR A 245 -2.589 4.104 -5.958 1.00 0.00 C ATOM 121 CG TYR A 245 -1.458 5.029 -5.569 1.00 0.00 C ATOM 122 CD1 TYR A 245 -1.418 6.340 -6.027 1.00 0.00 C ATOM 123 CD2 TYR A 245 -0.430 4.592 -4.743 1.00 0.00 C ATOM 124 CE1 TYR A 245 -0.386 7.189 -5.675 1.00 0.00 C ATOM 125 CE2 TYR A 245 0.605 5.434 -4.384 1.00 0.00 C ATOM 126 CZ TYR A 245 0.623 6.731 -4.853 1.00 0.00 C ATOM 127 OH TYR A 245 1.651 7.573 -4.499 1.00 0.00 O ATOM 0 H TYR A 245 -2.940 5.371 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 245 -1.523 2.916 -7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -3.530 4.652 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.651 3.294 -5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -2.207 6.702 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -0.440 3.577 -4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -0.369 8.205 -6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 245 1.396 5.079 -3.740 1.00 0.00 H new ATOM 0 HH TYR A 245 1.324 8.497 -4.477 1.00 0.00 H new ATOM 137 N LEU A 246 -3.577 1.381 -7.115 1.00 0.00 N ATOM 138 CA LEU A 246 -4.643 0.408 -7.326 1.00 0.00 C ATOM 139 C LEU A 246 -4.702 -0.593 -6.176 1.00 0.00 C ATOM 140 O LEU A 246 -3.679 -1.136 -5.759 1.00 0.00 O ATOM 141 CB LEU A 246 -4.432 -0.330 -8.649 1.00 0.00 C ATOM 142 CG LEU A 246 -4.877 0.412 -9.910 1.00 0.00 C ATOM 143 CD1 LEU A 246 -4.573 -0.413 -11.150 1.00 0.00 C ATOM 144 CD2 LEU A 246 -6.361 0.743 -9.838 1.00 0.00 C ATOM 0 H LEU A 246 -2.816 1.051 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 246 -5.590 0.946 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -3.372 -0.566 -8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 246 -4.967 -1.279 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 246 -4.319 1.346 -9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -4.897 0.131 -12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -3.501 -0.599 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -5.103 -1.364 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 246 -6.660 1.271 -10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 246 -6.936 -0.179 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 246 -6.551 1.375 -8.970 1.00 0.00 H new ATOM 156 N CYS A 247 -5.907 -0.833 -5.669 1.00 0.00 N ATOM 157 CA CYS A 247 -6.101 -1.769 -4.569 1.00 0.00 C ATOM 158 C CYS A 247 -6.007 -3.211 -5.059 1.00 0.00 C ATOM 159 O CYS A 247 -6.515 -3.549 -6.127 1.00 0.00 O ATOM 160 CB CYS A 247 -7.458 -1.532 -3.904 1.00 0.00 C ATOM 161 SG CYS A 247 -7.729 -2.517 -2.395 1.00 0.00 S ATOM 0 H CYS A 247 -6.764 -0.392 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 247 -5.311 -1.600 -3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 247 -7.549 -0.475 -3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 247 -8.247 -1.761 -4.621 1.00 0.00 H new ATOM 0 HG CYS A 247 -7.304 -1.853 -1.361 1.00 0.00 H new ATOM 166 N GLY A 248 -5.354 -4.058 -4.269 1.00 0.00 N ATOM 167 CA GLY A 248 -5.205 -5.453 -4.639 1.00 0.00 C ATOM 168 C GLY A 248 -6.291 -6.329 -4.045 1.00 0.00 C ATOM 169 O GLY A 248 -6.082 -7.521 -3.822 1.00 0.00 O ATOM 0 H GLY A 248 -4.926 -3.803 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -5.224 -5.542 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -4.231 -5.812 -4.307 1.00 0.00 H new ATOM 173 N GLN A 249 -7.452 -5.737 -3.788 1.00 0.00 N ATOM 174 CA GLN A 249 -8.573 -6.471 -3.214 1.00 0.00 C ATOM 175 C GLN A 249 -9.862 -6.180 -3.976 1.00 0.00 C ATOM 176 O GLN A 249 -10.661 -7.081 -4.234 1.00 0.00 O ATOM 177 CB GLN A 249 -8.746 -6.109 -1.738 1.00 0.00 C ATOM 178 CG GLN A 249 -7.659 -6.678 -0.841 1.00 0.00 C ATOM 179 CD GLN A 249 -7.982 -8.074 -0.345 1.00 0.00 C ATOM 180 OE1 GLN A 249 -7.599 -9.068 -0.961 1.00 0.00 O ATOM 181 NE2 GLN A 249 -8.691 -8.155 0.775 1.00 0.00 N ATOM 0 H GLN A 249 -7.641 -4.751 -3.968 1.00 0.00 H new ATOM 0 HA GLN A 249 -8.357 -7.536 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 249 -8.757 -5.024 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 249 -9.715 -6.471 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 249 -6.717 -6.700 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 249 -7.516 -6.017 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 249 -8.988 -7.304 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 249 -8.939 -9.068 1.157 1.00 0.00 H new ATOM 190 N CYS A 250 -10.060 -4.915 -4.332 1.00 0.00 N ATOM 191 CA CYS A 250 -11.252 -4.503 -5.063 1.00 0.00 C ATOM 192 C CYS A 250 -10.886 -3.979 -6.449 1.00 0.00 C ATOM 193 O CYS A 250 -11.613 -4.196 -7.418 1.00 0.00 O ATOM 194 CB CYS A 250 -12.008 -3.426 -4.283 1.00 0.00 C ATOM 195 SG CYS A 250 -10.991 -1.985 -3.828 1.00 0.00 S ATOM 0 H CYS A 250 -9.409 -4.157 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 250 -11.895 -5.375 -5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 250 -12.854 -3.086 -4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 250 -12.417 -3.870 -3.375 1.00 0.00 H new ATOM 0 HG CYS A 250 -9.878 -2.391 -3.292 1.00 0.00 H new ATOM 200 N GLY A 251 -9.753 -3.289 -6.535 1.00 0.00 N ATOM 201 CA GLY A 251 -9.310 -2.746 -7.806 1.00 0.00 C ATOM 202 C GLY A 251 -9.667 -1.281 -7.966 1.00 0.00 C ATOM 203 O GLY A 251 -9.874 -0.803 -9.081 1.00 0.00 O ATOM 0 H GLY A 251 -9.134 -3.096 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -8.230 -2.865 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -9.759 -3.317 -8.618 1.00 0.00 H new ATOM 207 N LYS A 252 -9.741 -0.566 -6.848 1.00 0.00 N ATOM 208 CA LYS A 252 -10.076 0.853 -6.868 1.00 0.00 C ATOM 209 C LYS A 252 -8.828 1.704 -7.074 1.00 0.00 C ATOM 210 O LYS A 252 -7.733 1.329 -6.654 1.00 0.00 O ATOM 211 CB LYS A 252 -10.769 1.252 -5.563 1.00 0.00 C ATOM 212 CG LYS A 252 -11.040 2.743 -5.450 1.00 0.00 C ATOM 213 CD LYS A 252 -11.991 3.051 -4.306 1.00 0.00 C ATOM 214 CE LYS A 252 -12.613 4.431 -4.455 1.00 0.00 C ATOM 215 NZ LYS A 252 -11.704 5.505 -3.968 1.00 0.00 N ATOM 0 H LYS A 252 -9.573 -0.946 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 252 -10.755 1.029 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -11.713 0.712 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -10.150 0.939 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -10.101 3.274 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -11.464 3.109 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -12.778 2.298 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -11.454 2.993 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -12.856 4.608 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -13.550 4.469 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -12.235 6.158 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -10.924 5.081 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -11.318 6.027 -4.780 1.00 0.00 H new ATOM 229 N SER A 253 -9.000 2.852 -7.722 1.00 0.00 N ATOM 230 CA SER A 253 -7.886 3.755 -7.986 1.00 0.00 C ATOM 231 C SER A 253 -7.846 4.882 -6.959 1.00 0.00 C ATOM 232 O SER A 253 -8.876 5.279 -6.415 1.00 0.00 O ATOM 233 CB SER A 253 -7.997 4.338 -9.396 1.00 0.00 C ATOM 234 OG SER A 253 -9.344 4.637 -9.719 1.00 0.00 O ATOM 0 H SER A 253 -9.900 3.179 -8.074 1.00 0.00 H new ATOM 0 HA SER A 253 -6.961 3.183 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 253 -7.393 5.243 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 253 -7.595 3.628 -10.119 1.00 0.00 H new ATOM 0 HG SER A 253 -9.388 5.010 -10.624 1.00 0.00 H new ATOM 240 N PHE A 254 -6.647 5.395 -6.699 1.00 0.00 N ATOM 241 CA PHE A 254 -6.471 6.476 -5.737 1.00 0.00 C ATOM 242 C PHE A 254 -5.465 7.502 -6.250 1.00 0.00 C ATOM 243 O PHE A 254 -4.937 7.373 -7.355 1.00 0.00 O ATOM 244 CB PHE A 254 -6.005 5.918 -4.390 1.00 0.00 C ATOM 245 CG PHE A 254 -7.036 5.066 -3.706 1.00 0.00 C ATOM 246 CD1 PHE A 254 -7.227 3.748 -4.087 1.00 0.00 C ATOM 247 CD2 PHE A 254 -7.813 5.583 -2.682 1.00 0.00 C ATOM 248 CE1 PHE A 254 -8.174 2.960 -3.459 1.00 0.00 C ATOM 249 CE2 PHE A 254 -8.761 4.801 -2.050 1.00 0.00 C ATOM 250 CZ PHE A 254 -8.943 3.488 -2.440 1.00 0.00 C ATOM 0 H PHE A 254 -5.784 5.079 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 254 -7.433 6.971 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 254 -5.101 5.328 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 254 -5.738 6.747 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 254 -6.629 3.331 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 254 -7.676 6.609 -2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 254 -8.312 1.933 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 254 -9.359 5.216 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 254 -9.685 2.876 -1.949 1.00 0.00 H new ATOM 260 N THR A 255 -5.205 8.524 -5.440 1.00 0.00 N ATOM 261 CA THR A 255 -4.264 9.574 -5.811 1.00 0.00 C ATOM 262 C THR A 255 -3.067 9.598 -4.868 1.00 0.00 C ATOM 263 O THR A 255 -1.929 9.778 -5.300 1.00 0.00 O ATOM 264 CB THR A 255 -4.938 10.959 -5.804 1.00 0.00 C ATOM 265 OG1 THR A 255 -6.267 10.860 -6.328 1.00 0.00 O ATOM 266 CG2 THR A 255 -4.135 11.955 -6.628 1.00 0.00 C ATOM 0 H THR A 255 -5.633 8.647 -4.522 1.00 0.00 H new ATOM 0 HA THR A 255 -3.922 9.350 -6.821 1.00 0.00 H new ATOM 0 HB THR A 255 -4.980 11.313 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 255 -6.689 11.744 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 255 -4.630 12.926 -6.609 1.00 0.00 H new ATOM 0 HG22 THR A 255 -3.133 12.050 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 255 -4.066 11.603 -7.657 1.00 0.00 H new ATOM 274 N GLN A 256 -3.332 9.417 -3.578 1.00 0.00 N ATOM 275 CA GLN A 256 -2.275 9.419 -2.574 1.00 0.00 C ATOM 276 C GLN A 256 -1.930 7.997 -2.144 1.00 0.00 C ATOM 277 O GLN A 256 -2.782 7.108 -2.162 1.00 0.00 O ATOM 278 CB GLN A 256 -2.700 10.243 -1.357 1.00 0.00 C ATOM 279 CG GLN A 256 -2.924 11.714 -1.667 1.00 0.00 C ATOM 280 CD GLN A 256 -1.626 12.488 -1.794 1.00 0.00 C ATOM 281 OE1 GLN A 256 -1.103 12.668 -2.894 1.00 0.00 O ATOM 282 NE2 GLN A 256 -1.100 12.951 -0.666 1.00 0.00 N ATOM 0 H GLN A 256 -4.269 9.267 -3.204 1.00 0.00 H new ATOM 0 HA GLN A 256 -1.388 9.870 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 256 -3.618 9.823 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 256 -1.936 10.155 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 256 -3.489 11.804 -2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 256 -3.532 12.159 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 256 -1.568 12.778 0.224 1.00 0.00 H new ATOM 0 HE22 GLN A 256 -0.228 13.480 -0.689 1.00 0.00 H new ATOM 291 N ARG A 257 -0.675 7.789 -1.758 1.00 0.00 N ATOM 292 CA ARG A 257 -0.217 6.474 -1.326 1.00 0.00 C ATOM 293 C ARG A 257 -0.755 6.140 0.063 1.00 0.00 C ATOM 294 O ARG A 257 -0.912 4.972 0.415 1.00 0.00 O ATOM 295 CB ARG A 257 1.312 6.420 -1.318 1.00 0.00 C ATOM 296 CG ARG A 257 1.949 7.355 -0.303 1.00 0.00 C ATOM 297 CD ARG A 257 2.143 6.670 1.040 1.00 0.00 C ATOM 298 NE ARG A 257 3.296 7.200 1.763 1.00 0.00 N ATOM 299 CZ ARG A 257 4.550 6.840 1.513 1.00 0.00 C ATOM 300 NH1 ARG A 257 4.811 5.954 0.561 1.00 0.00 N ATOM 301 NH2 ARG A 257 5.546 7.366 2.214 1.00 0.00 N ATOM 0 H ARG A 257 0.042 8.514 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 257 -0.597 5.735 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 257 1.630 5.399 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 257 1.681 6.671 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 257 2.912 7.700 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 257 1.322 8.237 -0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 257 1.246 6.798 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 257 2.273 5.599 0.885 1.00 0.00 H new ATOM 0 HE ARG A 257 3.129 7.884 2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 257 4.048 5.548 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 257 5.775 5.679 0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 257 5.350 8.048 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 257 6.508 7.088 2.021 1.00 0.00 H new ATOM 315 N GLY A 258 -1.037 7.176 0.848 1.00 0.00 N ATOM 316 CA GLY A 258 -1.553 6.972 2.188 1.00 0.00 C ATOM 317 C GLY A 258 -2.988 6.482 2.189 1.00 0.00 C ATOM 318 O GLY A 258 -3.362 5.637 3.002 1.00 0.00 O ATOM 0 H GLY A 258 -0.917 8.153 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 258 -0.925 6.249 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 258 -1.491 7.908 2.744 1.00 0.00 H new ATOM 322 N SER A 259 -3.793 7.013 1.275 1.00 0.00 N ATOM 323 CA SER A 259 -5.196 6.628 1.176 1.00 0.00 C ATOM 324 C SER A 259 -5.331 5.141 0.863 1.00 0.00 C ATOM 325 O SER A 259 -6.235 4.469 1.361 1.00 0.00 O ATOM 326 CB SER A 259 -5.899 7.454 0.097 1.00 0.00 C ATOM 327 OG SER A 259 -5.889 8.833 0.423 1.00 0.00 O ATOM 0 H SER A 259 -3.498 7.711 0.592 1.00 0.00 H new ATOM 0 HA SER A 259 -5.669 6.823 2.138 1.00 0.00 H new ATOM 0 HB2 SER A 259 -5.405 7.300 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 259 -6.928 7.111 -0.015 1.00 0.00 H new ATOM 0 HG SER A 259 -6.343 9.339 -0.283 1.00 0.00 H new ATOM 333 N LEU A 260 -4.425 4.633 0.034 1.00 0.00 N ATOM 334 CA LEU A 260 -4.441 3.225 -0.347 1.00 0.00 C ATOM 335 C LEU A 260 -4.156 2.332 0.857 1.00 0.00 C ATOM 336 O LEU A 260 -4.734 1.254 0.993 1.00 0.00 O ATOM 337 CB LEU A 260 -3.410 2.963 -1.446 1.00 0.00 C ATOM 338 CG LEU A 260 -3.207 1.499 -1.840 1.00 0.00 C ATOM 339 CD1 LEU A 260 -4.492 0.916 -2.408 1.00 0.00 C ATOM 340 CD2 LEU A 260 -2.071 1.370 -2.844 1.00 0.00 C ATOM 0 H LEU A 260 -3.670 5.175 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 260 -5.435 2.987 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -3.706 3.520 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -2.451 3.367 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 260 -2.941 0.935 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -4.328 -0.126 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -5.281 0.974 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -4.789 1.482 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 260 -1.941 0.322 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -2.308 1.947 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -1.150 1.748 -2.401 1.00 0.00 H new ATOM 352 N ALA A 261 -3.263 2.789 1.728 1.00 0.00 N ATOM 353 CA ALA A 261 -2.905 2.034 2.923 1.00 0.00 C ATOM 354 C ALA A 261 -4.096 1.901 3.865 1.00 0.00 C ATOM 355 O ALA A 261 -4.498 0.793 4.221 1.00 0.00 O ATOM 356 CB ALA A 261 -1.736 2.698 3.636 1.00 0.00 C ATOM 0 H ALA A 261 -2.774 3.679 1.629 1.00 0.00 H new ATOM 0 HA ALA A 261 -2.606 1.032 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 261 -1.479 2.124 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 261 -0.876 2.735 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 261 -2.014 3.711 3.926 1.00 0.00 H new ATOM 362 N VAL A 262 -4.657 3.038 4.267 1.00 0.00 N ATOM 363 CA VAL A 262 -5.802 3.048 5.169 1.00 0.00 C ATOM 364 C VAL A 262 -6.963 2.246 4.592 1.00 0.00 C ATOM 365 O VAL A 262 -7.700 1.585 5.324 1.00 0.00 O ATOM 366 CB VAL A 262 -6.278 4.484 5.457 1.00 0.00 C ATOM 367 CG1 VAL A 262 -7.457 4.475 6.417 1.00 0.00 C ATOM 368 CG2 VAL A 262 -5.135 5.322 6.011 1.00 0.00 C ATOM 0 H VAL A 262 -4.337 3.963 3.982 1.00 0.00 H new ATOM 0 HA VAL A 262 -5.474 2.588 6.101 1.00 0.00 H new ATOM 0 HB VAL A 262 -6.608 4.933 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 262 -7.779 5.499 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 262 -8.280 3.912 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 262 -7.159 4.008 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 262 -5.488 6.334 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 262 -4.773 4.876 6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 262 -4.324 5.357 5.284 1.00 0.00 H new ATOM 378 N HIS A 263 -7.120 2.308 3.273 1.00 0.00 N ATOM 379 CA HIS A 263 -8.192 1.587 2.596 1.00 0.00 C ATOM 380 C HIS A 263 -7.993 0.079 2.718 1.00 0.00 C ATOM 381 O HIS A 263 -8.933 -0.657 3.019 1.00 0.00 O ATOM 382 CB HIS A 263 -8.253 1.987 1.122 1.00 0.00 C ATOM 383 CG HIS A 263 -9.212 1.164 0.317 1.00 0.00 C ATOM 384 ND1 HIS A 263 -10.579 1.219 0.489 1.00 0.00 N ATOM 385 CD2 HIS A 263 -8.994 0.265 -0.671 1.00 0.00 C ATOM 386 CE1 HIS A 263 -11.160 0.388 -0.357 1.00 0.00 C ATOM 387 NE2 HIS A 263 -10.221 -0.203 -1.073 1.00 0.00 N ATOM 0 H HIS A 263 -6.519 2.850 2.652 1.00 0.00 H new ATOM 0 HA HIS A 263 -9.134 1.852 3.076 1.00 0.00 H new ATOM 0 HB2 HIS A 263 -8.539 3.036 1.050 1.00 0.00 H new ATOM 0 HB3 HIS A 263 -7.257 1.897 0.688 1.00 0.00 H new ATOM 0 HD2 HIS A 263 -8.034 -0.029 -1.069 1.00 0.00 H new ATOM 0 HE1 HIS A 263 -12.223 0.220 -0.448 1.00 0.00 H new ATOM 0 HE2 HIS A 263 -10.381 -0.895 -1.805 1.00 0.00 H new ATOM 395 N GLN A 264 -6.766 -0.373 2.483 1.00 0.00 N ATOM 396 CA GLN A 264 -6.446 -1.793 2.565 1.00 0.00 C ATOM 397 C GLN A 264 -6.822 -2.357 3.931 1.00 0.00 C ATOM 398 O GLN A 264 -7.093 -3.550 4.068 1.00 0.00 O ATOM 399 CB GLN A 264 -4.956 -2.018 2.300 1.00 0.00 C ATOM 400 CG GLN A 264 -4.614 -2.154 0.825 1.00 0.00 C ATOM 401 CD GLN A 264 -3.384 -3.007 0.588 1.00 0.00 C ATOM 402 OE1 GLN A 264 -2.504 -3.101 1.444 1.00 0.00 O ATOM 403 NE2 GLN A 264 -3.315 -3.636 -0.580 1.00 0.00 N ATOM 0 H GLN A 264 -5.977 0.224 2.234 1.00 0.00 H new ATOM 0 HA GLN A 264 -7.026 -2.315 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -4.391 -1.186 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.634 -2.918 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -5.462 -2.591 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -4.452 -1.163 0.401 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -4.067 -3.531 -1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -2.510 -4.224 -0.796 1.00 0.00 H new ATOM 412 N ARG A 265 -6.835 -1.492 4.940 1.00 0.00 N ATOM 413 CA ARG A 265 -7.177 -1.905 6.296 1.00 0.00 C ATOM 414 C ARG A 265 -8.604 -2.443 6.358 1.00 0.00 C ATOM 415 O ARG A 265 -8.830 -3.584 6.758 1.00 0.00 O ATOM 416 CB ARG A 265 -7.021 -0.730 7.264 1.00 0.00 C ATOM 417 CG ARG A 265 -5.644 -0.087 7.225 1.00 0.00 C ATOM 418 CD ARG A 265 -5.370 0.719 8.485 1.00 0.00 C ATOM 419 NE ARG A 265 -5.273 -0.132 9.668 1.00 0.00 N ATOM 420 CZ ARG A 265 -4.203 -0.863 9.962 1.00 0.00 C ATOM 421 NH1 ARG A 265 -3.146 -0.847 9.162 1.00 0.00 N ATOM 422 NH2 ARG A 265 -4.190 -1.612 11.057 1.00 0.00 N ATOM 0 H ARG A 265 -6.613 -0.501 4.844 1.00 0.00 H new ATOM 0 HA ARG A 265 -6.494 -2.702 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 265 -7.772 0.025 7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 265 -7.222 -1.076 8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 265 -4.883 -0.860 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 265 -5.569 0.562 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 265 -4.442 1.278 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 265 -6.166 1.450 8.628 1.00 0.00 H new ATOM 0 HE ARG A 265 -6.070 -0.167 10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -3.153 -0.273 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -2.326 -1.409 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 265 -5.002 -1.627 11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 265 -3.368 -2.173 11.282 1.00 0.00 H new ATOM 436 N SER A 266 -9.561 -1.612 5.959 1.00 0.00 N ATOM 437 CA SER A 266 -10.966 -2.002 5.973 1.00 0.00 C ATOM 438 C SER A 266 -11.285 -2.925 4.800 1.00 0.00 C ATOM 439 O SER A 266 -12.208 -3.737 4.867 1.00 0.00 O ATOM 440 CB SER A 266 -11.862 -0.763 5.920 1.00 0.00 C ATOM 441 OG SER A 266 -13.227 -1.125 5.804 1.00 0.00 O ATOM 0 H SER A 266 -9.389 -0.665 5.622 1.00 0.00 H new ATOM 0 HA SER A 266 -11.159 -2.541 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 266 -11.716 -0.166 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 266 -11.575 -0.139 5.074 1.00 0.00 H new ATOM 0 HG SER A 266 -13.779 -0.316 5.774 1.00 0.00 H new ATOM 447 N CYS A 267 -10.515 -2.793 3.725 1.00 0.00 N ATOM 448 CA CYS A 267 -10.714 -3.613 2.537 1.00 0.00 C ATOM 449 C CYS A 267 -10.147 -5.015 2.741 1.00 0.00 C ATOM 450 O CYS A 267 -9.219 -5.428 2.046 1.00 0.00 O ATOM 451 CB CYS A 267 -10.054 -2.957 1.323 1.00 0.00 C ATOM 452 SG CYS A 267 -10.688 -3.548 -0.279 1.00 0.00 S ATOM 0 H CYS A 267 -9.747 -2.125 3.653 1.00 0.00 H new ATOM 0 HA CYS A 267 -11.786 -3.696 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 267 -10.199 -1.878 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 267 -8.980 -3.137 1.365 1.00 0.00 H new ATOM 0 HG CYS A 267 -9.845 -3.241 -1.219 1.00 0.00 H new