USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, 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: A 256 SER OG : rot -119:sc= 0.848 USER MOD Set 1.2: A 258 SER OG : rot 180:sc= 0.754 USER MOD Single : A 227 TYR OH : rot 30:sc= 0 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 234 LYS NZ :NH3+ -148:sc= 0.629 (180deg=-0.0265) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ 137:sc= 0.81 (180deg=0.0581) USER MOD Single : A 242 HIS : no HD1:sc= -0.0058 X(o=-0.0058,f=-0.0042) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 259 SER OG : rot 180:sc= -0.808 USER MOD Single : A 261 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0307) USER MOD Single : A 264 CYS SG : rot 77:sc= -5.81! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -2.476 -15.929 0.613 1.00 0.00 N ATOM 115 CA TYR A 227 -3.333 -14.999 1.380 1.00 0.00 C ATOM 116 C TYR A 227 -3.701 -13.747 0.558 1.00 0.00 C ATOM 117 O TYR A 227 -2.922 -13.301 -0.294 1.00 0.00 O ATOM 118 CB TYR A 227 -2.615 -14.535 2.682 1.00 0.00 C ATOM 119 CG TYR A 227 -2.307 -15.638 3.705 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.209 -16.486 3.543 1.00 0.00 C ATOM 121 CD2 TYR A 227 -3.098 -15.815 4.842 1.00 0.00 C ATOM 122 CE1 TYR A 227 -0.918 -17.465 4.465 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.806 -16.793 5.765 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.718 -17.614 5.574 1.00 0.00 C ATOM 125 OH TYR A 227 -1.430 -18.590 6.493 1.00 0.00 O ATOM 0 HA TYR A 227 -4.244 -15.545 1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -1.679 -14.051 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -3.234 -13.779 3.166 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -0.575 -16.371 2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -3.953 -15.174 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -0.066 -18.113 4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.430 -16.916 6.638 1.00 0.00 H new ATOM 0 HH TYR A 227 -0.463 -18.751 6.507 1.00 0.00 H new ATOM 135 N THR A 228 -4.891 -13.197 0.828 1.00 0.00 N ATOM 136 CA THR A 228 -5.249 -11.833 0.430 1.00 0.00 C ATOM 137 C THR A 228 -4.580 -10.857 1.421 1.00 0.00 C ATOM 138 O THR A 228 -4.343 -11.239 2.578 1.00 0.00 O ATOM 139 CB THR A 228 -6.801 -11.626 0.443 1.00 0.00 C ATOM 140 OG1 THR A 228 -7.319 -11.841 1.765 1.00 0.00 O ATOM 141 CG2 THR A 228 -7.519 -12.562 -0.550 1.00 0.00 C ATOM 0 H THR A 228 -5.632 -13.687 1.329 1.00 0.00 H new ATOM 0 HA THR A 228 -4.903 -11.649 -0.587 1.00 0.00 H new ATOM 0 HB THR A 228 -6.992 -10.599 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 228 -8.290 -11.707 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 228 -8.593 -12.383 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 228 -7.159 -12.366 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 228 -7.313 -13.599 -0.286 1.00 0.00 H new ATOM 149 N PRO A 229 -4.255 -9.593 1.005 1.00 0.00 N ATOM 150 CA PRO A 229 -3.686 -8.565 1.925 1.00 0.00 C ATOM 151 C PRO A 229 -4.568 -8.283 3.168 1.00 0.00 C ATOM 152 O PRO A 229 -4.077 -7.706 4.139 1.00 0.00 O ATOM 153 CB PRO A 229 -3.534 -7.308 1.020 1.00 0.00 C ATOM 154 CG PRO A 229 -4.406 -7.579 -0.175 1.00 0.00 C ATOM 155 CD PRO A 229 -4.363 -9.072 -0.385 1.00 0.00 C ATOM 0 HA PRO A 229 -2.744 -8.897 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -3.850 -6.405 1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -2.496 -7.158 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -5.426 -7.238 0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -4.040 -7.050 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -5.260 -9.437 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -3.512 -9.371 -0.997 1.00 0.00 H new ATOM 163 N GLU A 230 -5.860 -8.694 3.122 1.00 0.00 N ATOM 164 CA GLU A 230 -6.751 -8.651 4.286 1.00 0.00 C ATOM 165 C GLU A 230 -6.265 -9.621 5.370 1.00 0.00 C ATOM 166 O GLU A 230 -5.977 -9.204 6.484 1.00 0.00 O ATOM 167 CB GLU A 230 -8.204 -9.031 3.888 1.00 0.00 C ATOM 168 CG GLU A 230 -9.227 -8.945 5.058 1.00 0.00 C ATOM 169 CD GLU A 230 -10.615 -9.531 4.731 1.00 0.00 C ATOM 170 OE1 GLU A 230 -11.114 -9.312 3.607 1.00 0.00 O ATOM 171 OE2 GLU A 230 -11.213 -10.225 5.591 1.00 0.00 O ATOM 0 H GLU A 230 -6.301 -9.060 2.279 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.739 -7.632 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -8.533 -8.373 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.207 -10.046 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -8.818 -9.469 5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -9.345 -7.900 5.346 1.00 0.00 H new ATOM 178 N GLU A 231 -6.110 -10.905 4.968 1.00 0.00 N ATOM 179 CA GLU A 231 -6.002 -12.068 5.880 1.00 0.00 C ATOM 180 C GLU A 231 -4.857 -11.994 6.904 1.00 0.00 C ATOM 181 O GLU A 231 -4.975 -12.596 7.960 1.00 0.00 O ATOM 182 CB GLU A 231 -5.961 -13.395 5.078 1.00 0.00 C ATOM 183 CG GLU A 231 -7.295 -13.734 4.394 1.00 0.00 C ATOM 184 CD GLU A 231 -7.235 -15.024 3.571 1.00 0.00 C ATOM 185 OE1 GLU A 231 -7.485 -16.113 4.125 1.00 0.00 O ATOM 186 OE2 GLU A 231 -6.921 -14.950 2.366 1.00 0.00 O ATOM 0 H GLU A 231 -6.056 -11.166 3.983 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.908 -12.039 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -5.179 -13.330 4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.688 -14.209 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -8.072 -13.829 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.584 -12.908 3.744 1.00 0.00 H new ATOM 193 N ILE A 232 -3.756 -11.278 6.589 1.00 0.00 N ATOM 194 CA ILE A 232 -2.646 -11.101 7.556 1.00 0.00 C ATOM 195 C ILE A 232 -3.098 -10.132 8.675 1.00 0.00 C ATOM 196 O ILE A 232 -3.041 -10.469 9.861 1.00 0.00 O ATOM 197 CB ILE A 232 -1.272 -10.626 6.914 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.813 -11.580 5.741 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.155 -10.525 8.011 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.501 -11.343 4.396 1.00 0.00 C ATOM 0 H ILE A 232 -3.611 -10.820 5.689 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.430 -12.088 7.964 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.435 -9.636 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.263 -11.468 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.991 -12.612 6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.778 -10.198 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.456 -9.805 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.009 -11.501 8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -1.115 -12.049 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.576 -11.486 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.303 -10.325 4.061 1.00 0.00 H new ATOM 212 N GLU A 233 -3.598 -8.949 8.275 1.00 0.00 N ATOM 213 CA GLU A 233 -4.168 -7.953 9.217 1.00 0.00 C ATOM 214 C GLU A 233 -5.398 -8.528 9.956 1.00 0.00 C ATOM 215 O GLU A 233 -5.647 -8.210 11.118 1.00 0.00 O ATOM 216 CB GLU A 233 -4.572 -6.671 8.448 1.00 0.00 C ATOM 217 CG GLU A 233 -5.169 -5.550 9.332 1.00 0.00 C ATOM 218 CD GLU A 233 -5.616 -4.312 8.535 1.00 0.00 C ATOM 219 OE1 GLU A 233 -4.761 -3.450 8.229 1.00 0.00 O ATOM 220 OE2 GLU A 233 -6.815 -4.211 8.191 1.00 0.00 O ATOM 0 H GLU A 233 -3.621 -8.653 7.299 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.406 -7.709 9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -3.694 -6.281 7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.300 -6.937 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.023 -5.947 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.428 -5.248 10.072 1.00 0.00 H new ATOM 227 N LYS A 234 -6.130 -9.405 9.252 1.00 0.00 N ATOM 228 CA LYS A 234 -7.386 -9.999 9.724 1.00 0.00 C ATOM 229 C LYS A 234 -7.096 -11.075 10.786 1.00 0.00 C ATOM 230 O LYS A 234 -7.830 -11.198 11.761 1.00 0.00 O ATOM 231 CB LYS A 234 -8.149 -10.628 8.530 1.00 0.00 C ATOM 232 CG LYS A 234 -9.581 -11.116 8.819 1.00 0.00 C ATOM 233 CD LYS A 234 -10.552 -9.957 9.120 1.00 0.00 C ATOM 234 CE LYS A 234 -11.995 -10.438 9.309 1.00 0.00 C ATOM 235 NZ LYS A 234 -12.509 -11.166 8.114 1.00 0.00 N ATOM 0 H LYS A 234 -5.859 -9.726 8.322 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.001 -9.219 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.193 -9.893 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.568 -11.472 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -9.949 -11.680 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.564 -11.800 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -10.224 -9.437 10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.516 -9.235 8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -12.047 -11.091 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -12.637 -9.582 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -13.532 -11.004 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -12.025 -10.819 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.329 -12.184 8.224 1.00 0.00 H new ATOM 249 N LEU A 235 -6.007 -11.854 10.580 1.00 0.00 N ATOM 250 CA LEU A 235 -5.590 -12.901 11.535 1.00 0.00 C ATOM 251 C LEU A 235 -5.083 -12.238 12.831 1.00 0.00 C ATOM 252 O LEU A 235 -5.321 -12.738 13.938 1.00 0.00 O ATOM 253 CB LEU A 235 -4.545 -13.891 10.881 1.00 0.00 C ATOM 254 CG LEU A 235 -3.038 -13.476 10.788 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.287 -13.747 12.096 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.322 -14.169 9.606 1.00 0.00 C ATOM 0 H LEU A 235 -5.404 -11.775 9.761 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.446 -13.521 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.591 -14.828 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.887 -14.104 9.868 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.027 -12.401 10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.246 -13.444 11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.747 -13.179 12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.333 -14.811 12.328 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.279 -13.854 9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.371 -15.250 9.734 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.811 -13.892 8.672 1.00 0.00 H new ATOM 268 N LYS A 236 -4.373 -11.104 12.654 1.00 0.00 N ATOM 269 CA LYS A 236 -3.893 -10.251 13.753 1.00 0.00 C ATOM 270 C LYS A 236 -5.075 -9.611 14.512 1.00 0.00 C ATOM 271 O LYS A 236 -5.038 -9.507 15.736 1.00 0.00 O ATOM 272 CB LYS A 236 -2.939 -9.168 13.173 1.00 0.00 C ATOM 273 CG LYS A 236 -1.553 -9.711 12.708 1.00 0.00 C ATOM 274 CD LYS A 236 -0.876 -8.837 11.616 1.00 0.00 C ATOM 275 CE LYS A 236 -0.733 -7.351 12.004 1.00 0.00 C ATOM 276 NZ LYS A 236 0.175 -7.155 13.168 1.00 0.00 N ATOM 0 H LYS A 236 -4.116 -10.754 11.731 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.345 -10.860 14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.429 -8.686 12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.779 -8.400 13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.890 -9.777 13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.679 -10.723 12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 236 0.113 -9.243 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.457 -8.908 10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -0.352 -6.790 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.716 -6.943 12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.239 -6.141 13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.200 -7.668 13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 1.121 -7.519 12.935 1.00 0.00 H new ATOM 290 N GLU A 237 -6.130 -9.217 13.768 1.00 0.00 N ATOM 291 CA GLU A 237 -7.373 -8.647 14.339 1.00 0.00 C ATOM 292 C GLU A 237 -8.075 -9.687 15.234 1.00 0.00 C ATOM 293 O GLU A 237 -8.492 -9.388 16.357 1.00 0.00 O ATOM 294 CB GLU A 237 -8.329 -8.209 13.194 1.00 0.00 C ATOM 295 CG GLU A 237 -9.667 -7.573 13.648 1.00 0.00 C ATOM 296 CD GLU A 237 -10.729 -7.541 12.532 1.00 0.00 C ATOM 297 OE1 GLU A 237 -11.468 -8.541 12.377 1.00 0.00 O ATOM 298 OE2 GLU A 237 -10.838 -6.526 11.813 1.00 0.00 O ATOM 0 H GLU A 237 -6.146 -9.285 12.750 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.114 -7.778 14.944 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -7.804 -7.495 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.552 -9.080 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.058 -8.132 14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -9.481 -6.556 13.994 1.00 0.00 H new ATOM 305 N LEU A 238 -8.183 -10.914 14.702 1.00 0.00 N ATOM 306 CA LEU A 238 -8.766 -12.075 15.405 1.00 0.00 C ATOM 307 C LEU A 238 -7.896 -12.496 16.609 1.00 0.00 C ATOM 308 O LEU A 238 -8.420 -13.032 17.591 1.00 0.00 O ATOM 309 CB LEU A 238 -8.967 -13.260 14.405 1.00 0.00 C ATOM 310 CG LEU A 238 -10.312 -13.294 13.592 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.652 -11.943 12.923 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.270 -14.435 12.546 1.00 0.00 C ATOM 0 H LEU A 238 -7.864 -11.134 13.758 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.741 -11.788 15.799 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.142 -13.244 13.693 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.887 -14.192 14.965 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.113 -13.486 14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.591 -12.033 12.378 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.749 -11.172 13.688 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -9.856 -11.669 12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.206 -14.451 11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.440 -14.269 11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.134 -15.390 13.054 1.00 0.00 H new ATOM 324 N ARG A 239 -6.577 -12.244 16.519 1.00 0.00 N ATOM 325 CA ARG A 239 -5.626 -12.512 17.621 1.00 0.00 C ATOM 326 C ARG A 239 -5.834 -11.510 18.775 1.00 0.00 C ATOM 327 O ARG A 239 -5.633 -11.842 19.942 1.00 0.00 O ATOM 328 CB ARG A 239 -4.166 -12.463 17.098 1.00 0.00 C ATOM 329 CG ARG A 239 -3.095 -12.918 18.119 1.00 0.00 C ATOM 330 CD ARG A 239 -1.664 -12.683 17.607 1.00 0.00 C ATOM 331 NE ARG A 239 -1.393 -11.250 17.397 1.00 0.00 N ATOM 332 CZ ARG A 239 -0.502 -10.727 16.536 1.00 0.00 C ATOM 333 NH1 ARG A 239 0.175 -11.502 15.689 1.00 0.00 N ATOM 334 NH2 ARG A 239 -0.315 -9.416 16.522 1.00 0.00 N ATOM 0 H ARG A 239 -6.139 -11.851 15.686 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.816 -13.513 18.008 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -4.092 -13.091 16.210 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.941 -11.443 16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.237 -12.379 19.056 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -3.231 -13.977 18.337 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -0.949 -13.088 18.323 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.518 -13.223 16.671 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.933 -10.592 17.958 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.021 -12.510 15.686 1.00 0.00 H new ATOM 0 HH12 ARG A 239 0.847 -11.087 15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -0.843 -8.819 17.158 1.00 0.00 H new ATOM 0 HH22 ARG A 239 0.357 -9.004 15.875 1.00 0.00 H new ATOM 348 N ILE A 240 -6.241 -10.278 18.431 1.00 0.00 N ATOM 349 CA ILE A 240 -6.579 -9.238 19.423 1.00 0.00 C ATOM 350 C ILE A 240 -7.906 -9.601 20.143 1.00 0.00 C ATOM 351 O ILE A 240 -8.019 -9.464 21.367 1.00 0.00 O ATOM 352 CB ILE A 240 -6.675 -7.818 18.731 1.00 0.00 C ATOM 353 CG1 ILE A 240 -5.301 -7.425 18.082 1.00 0.00 C ATOM 354 CG2 ILE A 240 -7.146 -6.719 19.716 1.00 0.00 C ATOM 355 CD1 ILE A 240 -5.325 -6.174 17.209 1.00 0.00 C ATOM 0 H ILE A 240 -6.346 -9.973 17.463 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.786 -9.191 20.169 1.00 0.00 H new ATOM 0 HB ILE A 240 -7.427 -7.892 17.946 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.571 -7.278 18.878 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.951 -8.262 17.478 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -7.197 -5.762 19.196 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -8.133 -6.975 20.102 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -6.440 -6.645 20.544 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -4.328 -5.990 16.809 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -6.025 -6.318 16.386 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -5.639 -5.319 17.807 1.00 0.00 H new ATOM 367 N LYS A 241 -8.885 -10.106 19.366 1.00 0.00 N ATOM 368 CA LYS A 241 -10.233 -10.464 19.874 1.00 0.00 C ATOM 369 C LYS A 241 -10.205 -11.711 20.781 1.00 0.00 C ATOM 370 O LYS A 241 -10.869 -11.751 21.826 1.00 0.00 O ATOM 371 CB LYS A 241 -11.193 -10.716 18.683 1.00 0.00 C ATOM 372 CG LYS A 241 -11.479 -9.468 17.830 1.00 0.00 C ATOM 373 CD LYS A 241 -12.338 -9.776 16.587 1.00 0.00 C ATOM 374 CE LYS A 241 -12.687 -8.510 15.796 1.00 0.00 C ATOM 375 NZ LYS A 241 -13.425 -8.819 14.549 1.00 0.00 N ATOM 0 H LYS A 241 -8.768 -10.279 18.368 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.586 -9.625 20.474 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.766 -11.489 18.044 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -12.136 -11.104 19.067 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -11.989 -8.724 18.443 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -10.534 -9.027 17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -11.802 -10.470 15.940 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -13.257 -10.274 16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -13.289 -7.848 16.419 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -11.771 -7.972 15.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -14.208 -8.145 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -12.780 -8.744 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -13.805 -9.786 14.601 1.00 0.00 H new ATOM 389 N HIS A 242 -9.438 -12.729 20.360 1.00 0.00 N ATOM 390 CA HIS A 242 -9.417 -14.058 21.016 1.00 0.00 C ATOM 391 C HIS A 242 -8.156 -14.246 21.875 1.00 0.00 C ATOM 392 O HIS A 242 -8.237 -14.616 23.054 1.00 0.00 O ATOM 393 CB HIS A 242 -9.479 -15.184 19.946 1.00 0.00 C ATOM 394 CG HIS A 242 -10.761 -15.250 19.160 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.743 -16.185 19.411 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.219 -14.506 18.124 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.733 -16.018 18.562 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.444 -15.004 17.775 1.00 0.00 N ATOM 0 H HIS A 242 -8.813 -12.660 19.557 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.289 -14.115 21.667 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.651 -15.048 19.250 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -9.325 -16.143 20.441 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.711 -13.674 17.660 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.633 -16.614 18.518 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -13.037 -14.647 17.026 1.00 0.00 H new ATOM 407 N GLY A 243 -7.002 -13.963 21.270 1.00 0.00 N ATOM 408 CA GLY A 243 -5.696 -14.354 21.814 1.00 0.00 C ATOM 409 C GLY A 243 -4.964 -15.226 20.803 1.00 0.00 C ATOM 410 O GLY A 243 -5.252 -15.141 19.599 1.00 0.00 O ATOM 0 H GLY A 243 -6.944 -13.455 20.387 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.104 -13.467 22.041 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.828 -14.897 22.750 1.00 0.00 H new ATOM 414 N ASN A 244 -4.017 -16.065 21.261 1.00 0.00 N ATOM 415 CA ASN A 244 -3.371 -17.068 20.394 1.00 0.00 C ATOM 416 C ASN A 244 -4.305 -18.281 20.232 1.00 0.00 C ATOM 417 O ASN A 244 -4.103 -19.347 20.827 1.00 0.00 O ATOM 418 CB ASN A 244 -1.982 -17.485 20.953 1.00 0.00 C ATOM 419 CG ASN A 244 -0.960 -16.338 20.995 1.00 0.00 C ATOM 420 OD1 ASN A 244 -0.986 -15.422 20.171 1.00 0.00 O ATOM 421 ND2 ASN A 244 -0.046 -16.389 21.954 1.00 0.00 N ATOM 0 H ASN A 244 -3.682 -16.069 22.225 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.195 -16.629 19.412 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -2.110 -17.882 21.960 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.582 -18.293 20.341 1.00 0.00 H new ATOM 0 HD21 ASN A 244 0.661 -15.657 22.024 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.050 -17.160 22.622 1.00 0.00 H new ATOM 428 N ASP A 245 -5.366 -18.058 19.448 1.00 0.00 N ATOM 429 CA ASP A 245 -6.377 -19.066 19.114 1.00 0.00 C ATOM 430 C ASP A 245 -6.261 -19.365 17.626 1.00 0.00 C ATOM 431 O ASP A 245 -7.249 -19.322 16.888 1.00 0.00 O ATOM 432 CB ASP A 245 -7.798 -18.542 19.477 1.00 0.00 C ATOM 433 CG ASP A 245 -8.044 -18.441 20.986 1.00 0.00 C ATOM 434 OD1 ASP A 245 -7.487 -17.531 21.633 1.00 0.00 O ATOM 435 OD2 ASP A 245 -8.815 -19.259 21.532 1.00 0.00 O ATOM 0 H ASP A 245 -5.549 -17.151 19.019 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.215 -19.980 19.685 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -7.940 -17.560 19.027 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -8.544 -19.205 19.039 1.00 0.00 H new ATOM 440 N TRP A 246 -5.026 -19.699 17.211 1.00 0.00 N ATOM 441 CA TRP A 246 -4.631 -19.822 15.795 1.00 0.00 C ATOM 442 C TRP A 246 -5.516 -20.808 15.003 1.00 0.00 C ATOM 443 O TRP A 246 -5.647 -20.674 13.789 1.00 0.00 O ATOM 444 CB TRP A 246 -3.149 -20.244 15.703 1.00 0.00 C ATOM 445 CG TRP A 246 -2.190 -19.320 16.425 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.561 -19.546 17.626 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.758 -18.022 15.990 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.756 -18.484 17.942 1.00 0.00 N ATOM 449 CE2 TRP A 246 -0.865 -17.532 16.961 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.035 -17.228 14.869 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.243 -16.293 16.843 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.422 -15.997 14.758 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.534 -15.540 15.739 1.00 0.00 C ATOM 0 H TRP A 246 -4.263 -19.894 17.859 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.772 -18.843 15.337 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.044 -21.249 16.112 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.863 -20.296 14.652 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.684 -20.432 18.232 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.170 -18.413 18.774 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.716 -17.574 14.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.445 -15.939 17.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.631 -15.375 13.900 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.069 -14.572 15.622 1.00 0.00 H new ATOM 464 N ALA A 247 -6.091 -21.799 15.708 1.00 0.00 N ATOM 465 CA ALA A 247 -7.014 -22.788 15.116 1.00 0.00 C ATOM 466 C ALA A 247 -8.330 -22.124 14.666 1.00 0.00 C ATOM 467 O ALA A 247 -8.788 -22.338 13.542 1.00 0.00 O ATOM 468 CB ALA A 247 -7.279 -23.914 16.121 1.00 0.00 C ATOM 0 H ALA A 247 -5.929 -21.938 16.705 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.547 -23.213 14.227 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.960 -24.642 15.681 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -6.339 -24.404 16.375 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.726 -23.498 17.024 1.00 0.00 H new ATOM 474 N THR A 248 -8.905 -21.304 15.565 1.00 0.00 N ATOM 475 CA THR A 248 -10.148 -20.542 15.315 1.00 0.00 C ATOM 476 C THR A 248 -9.918 -19.469 14.236 1.00 0.00 C ATOM 477 O THR A 248 -10.751 -19.268 13.335 1.00 0.00 O ATOM 478 CB THR A 248 -10.636 -19.861 16.637 1.00 0.00 C ATOM 479 OG1 THR A 248 -10.783 -20.858 17.653 1.00 0.00 O ATOM 480 CG2 THR A 248 -11.976 -19.111 16.461 1.00 0.00 C ATOM 0 H THR A 248 -8.518 -21.149 16.496 1.00 0.00 H new ATOM 0 HA THR A 248 -10.911 -21.237 14.963 1.00 0.00 H new ATOM 0 HB THR A 248 -9.885 -19.123 16.921 1.00 0.00 H new ATOM 0 HG1 THR A 248 -11.087 -20.436 18.484 1.00 0.00 H new ATOM 0 HG21 THR A 248 -12.267 -18.658 17.409 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.861 -18.332 15.707 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.747 -19.813 16.143 1.00 0.00 H new ATOM 488 N ILE A 249 -8.764 -18.796 14.356 1.00 0.00 N ATOM 489 CA ILE A 249 -8.325 -17.737 13.437 1.00 0.00 C ATOM 490 C ILE A 249 -8.184 -18.295 11.998 1.00 0.00 C ATOM 491 O ILE A 249 -8.844 -17.811 11.064 1.00 0.00 O ATOM 492 CB ILE A 249 -6.956 -17.127 13.941 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.132 -16.447 15.340 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.341 -16.149 12.916 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.840 -15.948 15.977 1.00 0.00 C ATOM 0 H ILE A 249 -8.099 -18.976 15.108 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.074 -16.946 13.419 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.253 -17.953 14.049 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.817 -15.606 15.235 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.603 -17.159 16.018 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.402 -15.756 13.306 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.153 -16.674 11.979 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.033 -15.326 12.738 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.062 -15.493 16.942 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.157 -16.786 16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.375 -15.208 15.325 1.00 0.00 H new ATOM 507 N GLY A 250 -7.345 -19.344 11.866 1.00 0.00 N ATOM 508 CA GLY A 250 -7.088 -20.020 10.593 1.00 0.00 C ATOM 509 C GLY A 250 -8.356 -20.579 9.960 1.00 0.00 C ATOM 510 O GLY A 250 -8.541 -20.478 8.751 1.00 0.00 O ATOM 0 H GLY A 250 -6.827 -19.742 12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.620 -19.319 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.378 -20.832 10.754 1.00 0.00 H new ATOM 514 N ALA A 251 -9.246 -21.133 10.803 1.00 0.00 N ATOM 515 CA ALA A 251 -10.546 -21.682 10.366 1.00 0.00 C ATOM 516 C ALA A 251 -11.442 -20.594 9.743 1.00 0.00 C ATOM 517 O ALA A 251 -12.084 -20.825 8.709 1.00 0.00 O ATOM 518 CB ALA A 251 -11.266 -22.362 11.543 1.00 0.00 C ATOM 0 H ALA A 251 -9.086 -21.214 11.807 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.347 -22.427 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.222 -22.761 11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.649 -23.175 11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.438 -21.633 12.335 1.00 0.00 H new ATOM 524 N ALA A 252 -11.445 -19.403 10.373 1.00 0.00 N ATOM 525 CA ALA A 252 -12.275 -18.254 9.943 1.00 0.00 C ATOM 526 C ALA A 252 -11.732 -17.617 8.647 1.00 0.00 C ATOM 527 O ALA A 252 -12.480 -16.973 7.906 1.00 0.00 O ATOM 528 CB ALA A 252 -12.359 -17.211 11.069 1.00 0.00 C ATOM 0 H ALA A 252 -10.873 -19.208 11.195 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.278 -18.623 9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.972 -16.371 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.808 -17.665 11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.357 -16.857 11.312 1.00 0.00 H new ATOM 534 N LEU A 253 -10.422 -17.792 8.400 1.00 0.00 N ATOM 535 CA LEU A 253 -9.764 -17.352 7.147 1.00 0.00 C ATOM 536 C LEU A 253 -9.930 -18.398 6.025 1.00 0.00 C ATOM 537 O LEU A 253 -9.986 -18.045 4.848 1.00 0.00 O ATOM 538 CB LEU A 253 -8.264 -17.117 7.406 1.00 0.00 C ATOM 539 CG LEU A 253 -7.923 -16.065 8.497 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.423 -16.076 8.804 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.410 -14.650 8.105 1.00 0.00 C ATOM 0 H LEU A 253 -9.786 -18.241 9.059 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.240 -16.426 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.810 -18.067 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.797 -16.807 6.471 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.459 -16.342 9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.203 -15.333 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.132 -17.064 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.865 -15.840 7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.152 -13.945 8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.931 -14.345 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.491 -14.662 7.969 1.00 0.00 H new ATOM 553 N GLY A 254 -10.013 -19.684 6.415 1.00 0.00 N ATOM 554 CA GLY A 254 -9.986 -20.806 5.458 1.00 0.00 C ATOM 555 C GLY A 254 -8.563 -21.248 5.132 1.00 0.00 C ATOM 556 O GLY A 254 -8.284 -21.750 4.038 1.00 0.00 O ATOM 0 H GLY A 254 -10.100 -19.972 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.541 -21.648 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.493 -20.511 4.539 1.00 0.00 H new ATOM 560 N ARG A 255 -7.669 -21.021 6.100 1.00 0.00 N ATOM 561 CA ARG A 255 -6.238 -21.361 6.042 1.00 0.00 C ATOM 562 C ARG A 255 -5.902 -22.401 7.125 1.00 0.00 C ATOM 563 O ARG A 255 -6.787 -22.863 7.860 1.00 0.00 O ATOM 564 CB ARG A 255 -5.395 -20.066 6.270 1.00 0.00 C ATOM 565 CG ARG A 255 -5.683 -18.933 5.272 1.00 0.00 C ATOM 566 CD ARG A 255 -5.346 -19.314 3.826 1.00 0.00 C ATOM 567 NE ARG A 255 -5.691 -18.236 2.894 1.00 0.00 N ATOM 568 CZ ARG A 255 -5.468 -18.247 1.578 1.00 0.00 C ATOM 569 NH1 ARG A 255 -4.838 -19.256 0.988 1.00 0.00 N ATOM 570 NH2 ARG A 255 -5.887 -17.232 0.855 1.00 0.00 N ATOM 0 H ARG A 255 -7.930 -20.578 6.981 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.003 -21.783 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.581 -19.700 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.337 -20.322 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.736 -18.659 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.107 -18.052 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -4.283 -19.540 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -5.886 -20.221 3.552 1.00 0.00 H new ATOM 0 HE ARG A 255 -6.140 -17.407 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -4.512 -20.048 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -4.680 -19.240 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -6.373 -16.454 1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -5.726 -17.222 -0.152 1.00 0.00 H new ATOM 584 N SER A 256 -4.610 -22.762 7.207 1.00 0.00 N ATOM 585 CA SER A 256 -4.072 -23.605 8.286 1.00 0.00 C ATOM 586 C SER A 256 -3.666 -22.717 9.476 1.00 0.00 C ATOM 587 O SER A 256 -3.201 -21.581 9.290 1.00 0.00 O ATOM 588 CB SER A 256 -2.854 -24.424 7.787 1.00 0.00 C ATOM 589 OG SER A 256 -2.347 -25.278 8.799 1.00 0.00 O ATOM 0 H SER A 256 -3.908 -22.476 6.524 1.00 0.00 H new ATOM 0 HA SER A 256 -4.843 -24.306 8.604 1.00 0.00 H new ATOM 0 HB2 SER A 256 -3.145 -25.019 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.069 -23.744 7.457 1.00 0.00 H new ATOM 0 HG SER A 256 -1.416 -25.040 8.992 1.00 0.00 H new ATOM 595 N ALA A 257 -3.834 -23.263 10.691 1.00 0.00 N ATOM 596 CA ALA A 257 -3.466 -22.590 11.947 1.00 0.00 C ATOM 597 C ALA A 257 -1.950 -22.388 12.026 1.00 0.00 C ATOM 598 O ALA A 257 -1.463 -21.342 12.485 1.00 0.00 O ATOM 599 CB ALA A 257 -3.947 -23.418 13.141 1.00 0.00 C ATOM 0 H ALA A 257 -4.232 -24.192 10.830 1.00 0.00 H new ATOM 0 HA ALA A 257 -3.946 -21.612 11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.671 -22.914 14.068 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.031 -23.527 13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.482 -24.403 13.111 1.00 0.00 H new ATOM 605 N SER A 258 -1.227 -23.416 11.556 1.00 0.00 N ATOM 606 CA SER A 258 0.234 -23.446 11.566 1.00 0.00 C ATOM 607 C SER A 258 0.796 -22.391 10.611 1.00 0.00 C ATOM 608 O SER A 258 1.773 -21.725 10.936 1.00 0.00 O ATOM 609 CB SER A 258 0.730 -24.857 11.185 1.00 0.00 C ATOM 610 OG SER A 258 0.202 -25.283 9.936 1.00 0.00 O ATOM 0 H SER A 258 -1.649 -24.254 11.156 1.00 0.00 H new ATOM 0 HA SER A 258 0.590 -23.213 12.570 1.00 0.00 H new ATOM 0 HB2 SER A 258 1.819 -24.859 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.442 -25.565 11.962 1.00 0.00 H new ATOM 0 HG SER A 258 0.539 -26.179 9.727 1.00 0.00 H new ATOM 616 N SER A 259 0.131 -22.232 9.452 1.00 0.00 N ATOM 617 CA SER A 259 0.548 -21.298 8.395 1.00 0.00 C ATOM 618 C SER A 259 0.392 -19.823 8.830 1.00 0.00 C ATOM 619 O SER A 259 1.259 -18.996 8.530 1.00 0.00 O ATOM 620 CB SER A 259 -0.254 -21.574 7.102 1.00 0.00 C ATOM 621 OG SER A 259 -0.105 -22.923 6.685 1.00 0.00 O ATOM 0 H SER A 259 -0.716 -22.752 9.223 1.00 0.00 H new ATOM 0 HA SER A 259 1.608 -21.463 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.309 -21.357 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.086 -20.906 6.310 1.00 0.00 H new ATOM 0 HG SER A 259 -0.623 -23.072 5.867 1.00 0.00 H new ATOM 627 N VAL A 260 -0.724 -19.495 9.523 1.00 0.00 N ATOM 628 CA VAL A 260 -0.994 -18.114 9.987 1.00 0.00 C ATOM 629 C VAL A 260 -0.065 -17.729 11.165 1.00 0.00 C ATOM 630 O VAL A 260 0.437 -16.587 11.242 1.00 0.00 O ATOM 631 CB VAL A 260 -2.518 -17.884 10.354 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.430 -18.162 9.136 1.00 0.00 C ATOM 633 CG2 VAL A 260 -2.989 -18.706 11.580 1.00 0.00 C ATOM 0 H VAL A 260 -1.450 -20.166 9.772 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.772 -17.451 9.151 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.602 -16.834 10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.471 -17.997 9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.162 -17.491 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.301 -19.195 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.042 -18.499 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -2.859 -19.769 11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.398 -18.429 12.453 1.00 0.00 H new ATOM 643 N LYS A 261 0.196 -18.710 12.052 1.00 0.00 N ATOM 644 CA LYS A 261 1.125 -18.542 13.183 1.00 0.00 C ATOM 645 C LYS A 261 2.569 -18.366 12.671 1.00 0.00 C ATOM 646 O LYS A 261 3.327 -17.542 13.187 1.00 0.00 O ATOM 647 CB LYS A 261 1.036 -19.761 14.142 1.00 0.00 C ATOM 648 CG LYS A 261 1.879 -19.624 15.433 1.00 0.00 C ATOM 649 CD LYS A 261 1.801 -20.871 16.358 1.00 0.00 C ATOM 650 CE LYS A 261 2.315 -22.156 15.680 1.00 0.00 C ATOM 651 NZ LYS A 261 3.733 -22.038 15.245 1.00 0.00 N ATOM 0 H LYS A 261 -0.230 -19.636 12.004 1.00 0.00 H new ATOM 0 HA LYS A 261 0.841 -17.646 13.734 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.007 -19.914 14.419 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.358 -20.654 13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.920 -19.447 15.161 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.541 -18.748 15.987 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.384 -20.685 17.260 1.00 0.00 H new ATOM 0 HD3 LYS A 261 0.768 -21.020 16.671 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.218 -22.993 16.372 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.690 -22.383 14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.059 -22.953 14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 3.809 -21.314 14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 4.323 -21.765 16.056 1.00 0.00 H new ATOM 665 N ASP A 262 2.912 -19.147 11.633 1.00 0.00 N ATOM 666 CA ASP A 262 4.243 -19.123 10.987 1.00 0.00 C ATOM 667 C ASP A 262 4.451 -17.815 10.210 1.00 0.00 C ATOM 668 O ASP A 262 5.576 -17.299 10.129 1.00 0.00 O ATOM 669 CB ASP A 262 4.395 -20.338 10.037 1.00 0.00 C ATOM 670 CG ASP A 262 5.767 -20.427 9.340 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.729 -20.927 9.960 1.00 0.00 O ATOM 672 OD2 ASP A 262 5.882 -20.018 8.159 1.00 0.00 O ATOM 0 H ASP A 262 2.271 -19.820 11.212 1.00 0.00 H new ATOM 0 HA ASP A 262 5.003 -19.182 11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.229 -21.253 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.616 -20.290 9.276 1.00 0.00 H new ATOM 677 N ARG A 263 3.352 -17.274 9.636 1.00 0.00 N ATOM 678 CA ARG A 263 3.397 -16.001 8.893 1.00 0.00 C ATOM 679 C ARG A 263 3.693 -14.843 9.867 1.00 0.00 C ATOM 680 O ARG A 263 4.400 -13.894 9.517 1.00 0.00 O ATOM 681 CB ARG A 263 2.066 -15.740 8.106 1.00 0.00 C ATOM 682 CG ARG A 263 2.241 -14.819 6.868 1.00 0.00 C ATOM 683 CD ARG A 263 3.059 -15.514 5.744 1.00 0.00 C ATOM 684 NE ARG A 263 3.949 -14.581 5.020 1.00 0.00 N ATOM 685 CZ ARG A 263 5.137 -14.917 4.475 1.00 0.00 C ATOM 686 NH1 ARG A 263 5.595 -16.160 4.548 1.00 0.00 N ATOM 687 NH2 ARG A 263 5.862 -14.014 3.844 1.00 0.00 N ATOM 0 H ARG A 263 2.426 -17.701 9.675 1.00 0.00 H new ATOM 0 HA ARG A 263 4.197 -16.064 8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.653 -16.695 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.337 -15.291 8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.261 -14.537 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 263 2.743 -13.899 7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.657 -16.315 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 263 2.373 -15.977 5.035 1.00 0.00 H new ATOM 0 HE ARG A 263 3.643 -13.613 4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 263 5.047 -16.878 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 263 6.495 -16.397 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 263 5.526 -13.054 3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 263 6.759 -14.275 3.435 1.00 0.00 H new ATOM 701 N CYS A 264 3.136 -14.948 11.093 1.00 0.00 N ATOM 702 CA CYS A 264 3.429 -13.996 12.190 1.00 0.00 C ATOM 703 C CYS A 264 4.798 -14.261 12.842 1.00 0.00 C ATOM 704 O CYS A 264 5.387 -13.353 13.436 1.00 0.00 O ATOM 705 CB CYS A 264 2.325 -14.017 13.251 1.00 0.00 C ATOM 706 SG CYS A 264 0.741 -13.497 12.609 1.00 0.00 S ATOM 0 H CYS A 264 2.479 -15.685 11.350 1.00 0.00 H new ATOM 0 HA CYS A 264 3.464 -13.004 11.740 1.00 0.00 H new ATOM 0 HB2 CYS A 264 2.235 -15.025 13.656 1.00 0.00 H new ATOM 0 HB3 CYS A 264 2.609 -13.366 14.078 1.00 0.00 H new ATOM 0 HG CYS A 264 0.213 -14.465 11.921 1.00 0.00 H new ATOM 712 N ARG A 265 5.288 -15.509 12.754 1.00 0.00 N ATOM 713 CA ARG A 265 6.624 -15.868 13.257 1.00 0.00 C ATOM 714 C ARG A 265 7.707 -15.212 12.383 1.00 0.00 C ATOM 715 O ARG A 265 8.758 -14.797 12.887 1.00 0.00 O ATOM 716 CB ARG A 265 6.811 -17.406 13.303 1.00 0.00 C ATOM 717 CG ARG A 265 8.157 -17.920 13.903 1.00 0.00 C ATOM 718 CD ARG A 265 8.375 -17.558 15.398 1.00 0.00 C ATOM 719 NE ARG A 265 8.755 -16.140 15.608 1.00 0.00 N ATOM 720 CZ ARG A 265 9.760 -15.705 16.378 1.00 0.00 C ATOM 721 NH1 ARG A 265 10.548 -16.558 17.020 1.00 0.00 N ATOM 722 NH2 ARG A 265 9.973 -14.406 16.495 1.00 0.00 N ATOM 0 H ARG A 265 4.777 -16.288 12.338 1.00 0.00 H new ATOM 0 HA ARG A 265 6.720 -15.495 14.277 1.00 0.00 H new ATOM 0 HB2 ARG A 265 5.993 -17.833 13.882 1.00 0.00 H new ATOM 0 HB3 ARG A 265 6.719 -17.793 12.288 1.00 0.00 H new ATOM 0 HG2 ARG A 265 8.198 -19.004 13.795 1.00 0.00 H new ATOM 0 HG3 ARG A 265 8.981 -17.510 13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 265 7.461 -17.768 15.953 1.00 0.00 H new ATOM 0 HD3 ARG A 265 9.153 -18.200 15.811 1.00 0.00 H new ATOM 0 HE ARG A 265 8.202 -15.434 15.123 1.00 0.00 H new ATOM 0 HH11 ARG A 265 10.392 -17.562 16.931 1.00 0.00 H new ATOM 0 HH12 ARG A 265 11.309 -16.210 17.603 1.00 0.00 H new ATOM 0 HH21 ARG A 265 9.374 -13.744 16.001 1.00 0.00 H new ATOM 0 HH22 ARG A 265 10.736 -14.065 17.079 1.00 0.00 H new