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 Single : A 227 TYR OH : rot 180:sc= 0.321 USER MOD Single : A 228 THR OG1 : rot -160:sc= -1.6 USER MOD Single : A 234 LYS NZ :NH3+ -179:sc= 0.245 (180deg=0.245) USER MOD Single : A 236 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 241 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 HIS : no HE2:sc= 0.212 K(o=0.21,f=-0.98) USER MOD Single : A 244 ASN : amide:sc= 0.312 K(o=0.31,f=-4.2!) USER MOD Single : A 248 THR OG1 : rot 108:sc= 0.299 USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 SER OG : rot 180:sc= -1.24 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 CYS SG : rot -40:sc= -1.01! USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -2.078 -15.206 -0.207 1.00 0.00 N ATOM 115 CA TYR A 227 -3.137 -14.572 0.594 1.00 0.00 C ATOM 116 C TYR A 227 -3.600 -13.260 -0.065 1.00 0.00 C ATOM 117 O TYR A 227 -2.905 -12.707 -0.932 1.00 0.00 O ATOM 118 CB TYR A 227 -2.605 -14.259 2.023 1.00 0.00 C ATOM 119 CG TYR A 227 -2.207 -15.477 2.879 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.017 -16.174 2.647 1.00 0.00 C ATOM 121 CD2 TYR A 227 -3.012 -15.912 3.936 1.00 0.00 C ATOM 122 CE1 TYR A 227 -0.661 -17.262 3.426 1.00 0.00 C ATOM 123 CE2 TYR A 227 -2.657 -16.992 4.712 1.00 0.00 C ATOM 124 CZ TYR A 227 -1.480 -17.660 4.459 1.00 0.00 C ATOM 125 OH TYR A 227 -1.139 -18.750 5.234 1.00 0.00 O ATOM 0 HA TYR A 227 -3.979 -15.261 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -1.737 -13.606 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -3.371 -13.698 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -0.364 -15.858 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -3.933 -15.389 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 227 0.256 -17.796 3.224 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.300 -17.315 5.517 1.00 0.00 H new ATOM 0 HH TYR A 227 -1.826 -18.893 5.918 1.00 0.00 H new ATOM 135 N THR A 228 -4.776 -12.763 0.360 1.00 0.00 N ATOM 136 CA THR A 228 -5.192 -11.372 0.091 1.00 0.00 C ATOM 137 C THR A 228 -4.447 -10.453 1.096 1.00 0.00 C ATOM 138 O THR A 228 -4.052 -10.931 2.176 1.00 0.00 O ATOM 139 CB THR A 228 -6.752 -11.163 0.243 1.00 0.00 C ATOM 140 OG1 THR A 228 -7.131 -11.132 1.631 1.00 0.00 O ATOM 141 CG2 THR A 228 -7.557 -12.259 -0.480 1.00 0.00 C ATOM 0 H THR A 228 -5.457 -13.304 0.892 1.00 0.00 H new ATOM 0 HA THR A 228 -4.941 -11.129 -0.942 1.00 0.00 H new ATOM 0 HB THR A 228 -6.986 -10.205 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 228 -8.089 -11.321 1.713 1.00 0.00 H new ATOM 0 HG21 THR A 228 -8.623 -12.074 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 228 -7.315 -12.247 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 228 -7.303 -13.233 -0.061 1.00 0.00 H new ATOM 149 N PRO A 229 -4.241 -9.128 0.787 1.00 0.00 N ATOM 150 CA PRO A 229 -3.665 -8.171 1.765 1.00 0.00 C ATOM 151 C PRO A 229 -4.531 -8.040 3.040 1.00 0.00 C ATOM 152 O PRO A 229 -4.052 -7.549 4.063 1.00 0.00 O ATOM 153 CB PRO A 229 -3.585 -6.835 0.972 1.00 0.00 C ATOM 154 CG PRO A 229 -4.534 -7.006 -0.179 1.00 0.00 C ATOM 155 CD PRO A 229 -4.511 -8.476 -0.522 1.00 0.00 C ATOM 0 HA PRO A 229 -2.693 -8.495 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -3.871 -5.988 1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -2.571 -6.645 0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -5.539 -6.684 0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -4.226 -6.401 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -5.459 -8.805 -0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -3.737 -8.706 -1.254 1.00 0.00 H new ATOM 163 N GLU A 230 -5.802 -8.487 2.961 1.00 0.00 N ATOM 164 CA GLU A 230 -6.724 -8.489 4.101 1.00 0.00 C ATOM 165 C GLU A 230 -6.386 -9.618 5.094 1.00 0.00 C ATOM 166 O GLU A 230 -6.392 -9.370 6.282 1.00 0.00 O ATOM 167 CB GLU A 230 -8.198 -8.620 3.628 1.00 0.00 C ATOM 168 CG GLU A 230 -9.236 -8.543 4.768 1.00 0.00 C ATOM 169 CD GLU A 230 -10.693 -8.611 4.281 1.00 0.00 C ATOM 170 OE1 GLU A 230 -11.275 -7.555 3.956 1.00 0.00 O ATOM 171 OE2 GLU A 230 -11.256 -9.719 4.223 1.00 0.00 O ATOM 0 H GLU A 230 -6.211 -8.855 2.102 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.606 -7.534 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -8.408 -7.831 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -8.318 -9.569 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -9.057 -9.360 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -9.089 -7.614 5.319 1.00 0.00 H new ATOM 178 N GLU A 231 -6.062 -10.834 4.583 1.00 0.00 N ATOM 179 CA GLU A 231 -5.922 -12.075 5.406 1.00 0.00 C ATOM 180 C GLU A 231 -4.951 -11.912 6.588 1.00 0.00 C ATOM 181 O GLU A 231 -5.208 -12.423 7.688 1.00 0.00 O ATOM 182 CB GLU A 231 -5.442 -13.275 4.548 1.00 0.00 C ATOM 183 CG GLU A 231 -6.352 -13.660 3.373 1.00 0.00 C ATOM 184 CD GLU A 231 -7.813 -13.923 3.779 1.00 0.00 C ATOM 185 OE1 GLU A 231 -8.088 -14.982 4.375 1.00 0.00 O ATOM 186 OE2 GLU A 231 -8.691 -13.082 3.479 1.00 0.00 O ATOM 0 H GLU A 231 -5.889 -10.987 3.589 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.920 -12.266 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.451 -13.044 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.333 -14.143 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.329 -12.862 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.952 -14.553 2.893 1.00 0.00 H new ATOM 193 N ILE A 232 -3.833 -11.209 6.351 1.00 0.00 N ATOM 194 CA ILE A 232 -2.797 -10.998 7.375 1.00 0.00 C ATOM 195 C ILE A 232 -3.318 -9.999 8.430 1.00 0.00 C ATOM 196 O ILE A 232 -3.303 -10.279 9.632 1.00 0.00 O ATOM 197 CB ILE A 232 -1.409 -10.521 6.773 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.806 -11.571 5.759 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.390 -10.239 7.909 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.465 -11.636 4.384 1.00 0.00 C ATOM 0 H ILE A 232 -3.622 -10.774 5.453 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.598 -11.961 7.844 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.601 -9.601 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.252 -11.346 5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.865 -12.560 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.556 -9.913 7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -0.779 -9.457 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.230 -11.148 8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.966 -12.391 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.517 -11.898 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.383 -10.665 3.895 1.00 0.00 H new ATOM 212 N GLU A 233 -3.835 -8.858 7.952 1.00 0.00 N ATOM 213 CA GLU A 233 -4.434 -7.808 8.815 1.00 0.00 C ATOM 214 C GLU A 233 -5.651 -8.359 9.609 1.00 0.00 C ATOM 215 O GLU A 233 -5.925 -7.931 10.739 1.00 0.00 O ATOM 216 CB GLU A 233 -4.846 -6.603 7.930 1.00 0.00 C ATOM 217 CG GLU A 233 -5.405 -5.382 8.691 1.00 0.00 C ATOM 218 CD GLU A 233 -5.658 -4.174 7.770 1.00 0.00 C ATOM 219 OE1 GLU A 233 -6.701 -4.145 7.081 1.00 0.00 O ATOM 220 OE2 GLU A 233 -4.810 -3.260 7.709 1.00 0.00 O ATOM 0 H GLU A 233 -3.854 -8.629 6.958 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.696 -7.483 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -3.978 -6.284 7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.597 -6.939 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.337 -5.661 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.704 -5.096 9.475 1.00 0.00 H new ATOM 227 N LYS A 234 -6.327 -9.351 9.008 1.00 0.00 N ATOM 228 CA LYS A 234 -7.503 -10.021 9.570 1.00 0.00 C ATOM 229 C LYS A 234 -7.076 -10.920 10.736 1.00 0.00 C ATOM 230 O LYS A 234 -7.663 -10.866 11.811 1.00 0.00 O ATOM 231 CB LYS A 234 -8.222 -10.871 8.482 1.00 0.00 C ATOM 232 CG LYS A 234 -9.519 -11.573 8.950 1.00 0.00 C ATOM 233 CD LYS A 234 -10.689 -10.589 9.187 1.00 0.00 C ATOM 234 CE LYS A 234 -11.165 -9.909 7.893 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.605 -10.898 6.876 1.00 0.00 N ATOM 0 H LYS A 234 -6.061 -9.716 8.094 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.198 -9.263 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.461 -10.225 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.528 -11.629 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -9.817 -12.309 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.318 -12.118 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.523 -11.125 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.377 -9.826 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -11.988 -9.232 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.357 -9.302 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -11.902 -10.400 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -10.817 -11.539 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.404 -11.449 7.250 1.00 0.00 H new ATOM 249 N LEU A 235 -6.017 -11.724 10.509 1.00 0.00 N ATOM 250 CA LEU A 235 -5.511 -12.680 11.515 1.00 0.00 C ATOM 251 C LEU A 235 -4.947 -11.929 12.732 1.00 0.00 C ATOM 252 O LEU A 235 -5.003 -12.428 13.848 1.00 0.00 O ATOM 253 CB LEU A 235 -4.485 -13.698 10.881 1.00 0.00 C ATOM 254 CG LEU A 235 -2.988 -13.260 10.669 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.147 -13.461 11.945 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.340 -13.997 9.474 1.00 0.00 C ATOM 0 H LEU A 235 -5.494 -11.730 9.633 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.343 -13.285 11.874 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.479 -14.589 11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.879 -13.996 9.909 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.004 -12.194 10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.120 -13.147 11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.567 -12.864 12.755 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.159 -14.514 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.307 -13.668 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.360 -15.072 9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.895 -13.772 8.563 1.00 0.00 H new ATOM 268 N LYS A 236 -4.412 -10.727 12.476 1.00 0.00 N ATOM 269 CA LYS A 236 -3.853 -9.829 13.505 1.00 0.00 C ATOM 270 C LYS A 236 -4.956 -9.157 14.359 1.00 0.00 C ATOM 271 O LYS A 236 -4.784 -8.990 15.573 1.00 0.00 O ATOM 272 CB LYS A 236 -2.964 -8.774 12.804 1.00 0.00 C ATOM 273 CG LYS A 236 -1.610 -9.338 12.274 1.00 0.00 C ATOM 274 CD LYS A 236 -1.000 -8.509 11.115 1.00 0.00 C ATOM 275 CE LYS A 236 -0.935 -7.004 11.397 1.00 0.00 C ATOM 276 NZ LYS A 236 -0.207 -6.697 12.654 1.00 0.00 N ATOM 0 H LYS A 236 -4.353 -10.342 11.533 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.254 -10.417 14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.518 -8.343 11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.760 -7.963 13.503 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.896 -9.376 13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.761 -10.363 11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 236 0.006 -8.874 10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.589 -8.675 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -0.444 -6.501 10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.947 -6.604 11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -0.145 -5.666 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.717 -7.111 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 0.751 -7.098 12.607 1.00 0.00 H new ATOM 290 N GLU A 237 -6.066 -8.758 13.712 1.00 0.00 N ATOM 291 CA GLU A 237 -7.263 -8.223 14.410 1.00 0.00 C ATOM 292 C GLU A 237 -7.885 -9.319 15.305 1.00 0.00 C ATOM 293 O GLU A 237 -8.113 -9.122 16.511 1.00 0.00 O ATOM 294 CB GLU A 237 -8.294 -7.708 13.365 1.00 0.00 C ATOM 295 CG GLU A 237 -9.671 -7.283 13.935 1.00 0.00 C ATOM 296 CD GLU A 237 -9.598 -6.173 15.008 1.00 0.00 C ATOM 297 OE1 GLU A 237 -9.210 -5.034 14.676 1.00 0.00 O ATOM 298 OE2 GLU A 237 -9.950 -6.428 16.182 1.00 0.00 O ATOM 0 H GLU A 237 -6.165 -8.794 12.697 1.00 0.00 H new ATOM 0 HA GLU A 237 -6.970 -7.388 15.046 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -7.859 -6.856 12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.454 -8.490 12.623 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.301 -6.939 13.115 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.159 -8.157 14.366 1.00 0.00 H new ATOM 305 N LEU A 238 -8.113 -10.480 14.683 1.00 0.00 N ATOM 306 CA LEU A 238 -8.682 -11.675 15.324 1.00 0.00 C ATOM 307 C LEU A 238 -7.737 -12.231 16.408 1.00 0.00 C ATOM 308 O LEU A 238 -8.196 -12.871 17.342 1.00 0.00 O ATOM 309 CB LEU A 238 -9.011 -12.768 14.248 1.00 0.00 C ATOM 310 CG LEU A 238 -10.398 -12.656 13.521 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.655 -11.254 12.934 1.00 0.00 C ATOM 312 CD2 LEU A 238 -10.519 -13.747 12.428 1.00 0.00 C ATOM 0 H LEU A 238 -7.902 -10.621 13.695 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.611 -11.387 15.816 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.228 -12.744 13.490 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -8.959 -13.744 14.730 1.00 0.00 H new ATOM 0 HG LEU A 238 -11.169 -12.818 14.274 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -11.629 -11.238 12.444 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -10.640 -10.516 13.736 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -9.879 -11.016 12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -11.485 -13.659 11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -9.722 -13.619 11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -10.436 -14.732 12.887 1.00 0.00 H new ATOM 324 N ARG A 239 -6.421 -11.985 16.263 1.00 0.00 N ATOM 325 CA ARG A 239 -5.405 -12.405 17.251 1.00 0.00 C ATOM 326 C ARG A 239 -5.685 -11.786 18.624 1.00 0.00 C ATOM 327 O ARG A 239 -5.692 -12.475 19.632 1.00 0.00 O ATOM 328 CB ARG A 239 -3.980 -12.002 16.793 1.00 0.00 C ATOM 329 CG ARG A 239 -2.863 -12.456 17.748 1.00 0.00 C ATOM 330 CD ARG A 239 -1.474 -11.937 17.341 1.00 0.00 C ATOM 331 NE ARG A 239 -0.427 -12.460 18.235 1.00 0.00 N ATOM 332 CZ ARG A 239 0.891 -12.384 18.016 1.00 0.00 C ATOM 333 NH1 ARG A 239 1.378 -11.824 16.915 1.00 0.00 N ATOM 334 NH2 ARG A 239 1.727 -12.904 18.895 1.00 0.00 N ATOM 0 H ARG A 239 -6.031 -11.491 15.460 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.461 -13.491 17.328 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -3.794 -12.425 15.806 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.936 -10.918 16.689 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.092 -12.111 18.756 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.842 -13.545 17.781 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.259 -12.232 16.314 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.468 -10.847 17.368 1.00 0.00 H new ATOM 0 HE ARG A 239 -0.732 -12.919 19.093 1.00 0.00 H new ATOM 0 HH11 ARG A 239 0.744 -11.440 16.215 1.00 0.00 H new ATOM 0 HH12 ARG A 239 2.387 -11.777 16.770 1.00 0.00 H new ATOM 0 HH21 ARG A 239 1.367 -13.360 19.734 1.00 0.00 H new ATOM 0 HH22 ARG A 239 2.733 -12.850 18.736 1.00 0.00 H new ATOM 348 N ILE A 240 -5.928 -10.473 18.627 1.00 0.00 N ATOM 349 CA ILE A 240 -6.165 -9.706 19.862 1.00 0.00 C ATOM 350 C ILE A 240 -7.522 -10.104 20.497 1.00 0.00 C ATOM 351 O ILE A 240 -7.654 -10.180 21.723 1.00 0.00 O ATOM 352 CB ILE A 240 -6.127 -8.159 19.561 1.00 0.00 C ATOM 353 CG1 ILE A 240 -4.806 -7.781 18.809 1.00 0.00 C ATOM 354 CG2 ILE A 240 -6.289 -7.322 20.858 1.00 0.00 C ATOM 355 CD1 ILE A 240 -4.716 -6.328 18.362 1.00 0.00 C ATOM 0 H ILE A 240 -5.967 -9.909 17.778 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.373 -9.940 20.573 1.00 0.00 H new ATOM 0 HB ILE A 240 -6.972 -7.922 18.915 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -3.959 -7.999 19.460 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.708 -8.422 17.933 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -6.258 -6.261 20.612 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -7.244 -7.558 21.327 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -5.478 -7.559 21.547 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -3.767 -6.163 17.851 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -5.538 -6.105 17.682 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -4.778 -5.675 19.233 1.00 0.00 H new ATOM 367 N LYS A 241 -8.504 -10.397 19.630 1.00 0.00 N ATOM 368 CA LYS A 241 -9.883 -10.734 20.039 1.00 0.00 C ATOM 369 C LYS A 241 -9.991 -12.208 20.525 1.00 0.00 C ATOM 370 O LYS A 241 -10.832 -12.530 21.369 1.00 0.00 O ATOM 371 CB LYS A 241 -10.829 -10.448 18.843 1.00 0.00 C ATOM 372 CG LYS A 241 -12.335 -10.650 19.125 1.00 0.00 C ATOM 373 CD LYS A 241 -13.228 -10.179 17.947 1.00 0.00 C ATOM 374 CE LYS A 241 -12.863 -10.844 16.605 1.00 0.00 C ATOM 375 NZ LYS A 241 -13.706 -10.343 15.490 1.00 0.00 N ATOM 0 H LYS A 241 -8.366 -10.408 18.619 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.177 -10.116 20.888 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.673 -9.420 18.516 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -10.543 -11.094 18.013 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -12.526 -11.705 19.323 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -12.609 -10.102 20.026 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -14.270 -10.395 18.181 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -13.142 -9.097 17.844 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -11.813 -10.654 16.380 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -12.980 -11.924 16.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -13.429 -10.815 14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -14.706 -10.546 15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -13.575 -9.316 15.390 1.00 0.00 H new ATOM 389 N HIS A 242 -9.125 -13.090 19.996 1.00 0.00 N ATOM 390 CA HIS A 242 -9.090 -14.532 20.371 1.00 0.00 C ATOM 391 C HIS A 242 -7.950 -14.830 21.365 1.00 0.00 C ATOM 392 O HIS A 242 -7.868 -15.945 21.901 1.00 0.00 O ATOM 393 CB HIS A 242 -8.945 -15.427 19.104 1.00 0.00 C ATOM 394 CG HIS A 242 -10.192 -15.539 18.269 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.093 -16.568 18.417 1.00 0.00 N ATOM 396 CD2 HIS A 242 -10.691 -14.755 17.283 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.076 -16.419 17.565 1.00 0.00 C ATOM 398 NE2 HIS A 242 -11.861 -15.327 16.862 1.00 0.00 N ATOM 0 H HIS A 242 -8.427 -12.833 19.297 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.035 -14.765 20.862 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.143 -15.028 18.483 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -8.641 -16.427 19.414 1.00 0.00 H new ATOM 0 HD1 HIS A 242 -11.008 -17.331 19.088 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.248 -13.847 16.900 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -12.922 -17.081 17.457 1.00 0.00 H new ATOM 407 N GLY A 243 -7.085 -13.830 21.602 1.00 0.00 N ATOM 408 CA GLY A 243 -5.905 -13.996 22.446 1.00 0.00 C ATOM 409 C GLY A 243 -4.877 -14.934 21.810 1.00 0.00 C ATOM 410 O GLY A 243 -4.187 -14.557 20.857 1.00 0.00 O ATOM 0 H GLY A 243 -7.189 -12.892 21.214 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.447 -13.023 22.625 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -6.205 -14.391 23.417 1.00 0.00 H new ATOM 414 N ASN A 244 -4.813 -16.173 22.322 1.00 0.00 N ATOM 415 CA ASN A 244 -3.863 -17.213 21.858 1.00 0.00 C ATOM 416 C ASN A 244 -4.548 -18.236 20.925 1.00 0.00 C ATOM 417 O ASN A 244 -3.869 -19.092 20.351 1.00 0.00 O ATOM 418 CB ASN A 244 -3.238 -17.950 23.076 1.00 0.00 C ATOM 419 CG ASN A 244 -4.261 -18.725 23.931 1.00 0.00 C ATOM 420 OD1 ASN A 244 -5.402 -18.297 24.118 1.00 0.00 O ATOM 421 ND2 ASN A 244 -3.860 -19.879 24.454 1.00 0.00 N ATOM 0 H ASN A 244 -5.422 -16.490 23.076 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.078 -16.712 21.291 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -2.479 -18.645 22.717 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -2.730 -17.221 23.707 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -4.501 -20.431 25.024 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -2.911 -20.213 24.286 1.00 0.00 H new ATOM 428 N ASP A 245 -5.885 -18.153 20.801 1.00 0.00 N ATOM 429 CA ASP A 245 -6.685 -19.110 20.002 1.00 0.00 C ATOM 430 C ASP A 245 -6.504 -18.848 18.491 1.00 0.00 C ATOM 431 O ASP A 245 -7.261 -18.094 17.877 1.00 0.00 O ATOM 432 CB ASP A 245 -8.184 -19.053 20.438 1.00 0.00 C ATOM 433 CG ASP A 245 -9.142 -19.841 19.518 1.00 0.00 C ATOM 434 OD1 ASP A 245 -8.909 -21.048 19.266 1.00 0.00 O ATOM 435 OD2 ASP A 245 -10.125 -19.251 19.038 1.00 0.00 O ATOM 0 H ASP A 245 -6.443 -17.426 21.248 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.326 -20.122 20.192 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.271 -19.442 21.452 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -8.502 -18.011 20.468 1.00 0.00 H new ATOM 440 N TRP A 246 -5.435 -19.439 17.929 1.00 0.00 N ATOM 441 CA TRP A 246 -5.134 -19.396 16.485 1.00 0.00 C ATOM 442 C TRP A 246 -6.052 -20.327 15.680 1.00 0.00 C ATOM 443 O TRP A 246 -6.209 -20.137 14.468 1.00 0.00 O ATOM 444 CB TRP A 246 -3.657 -19.773 16.232 1.00 0.00 C ATOM 445 CG TRP A 246 -2.674 -18.791 16.809 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.965 -18.909 17.969 1.00 0.00 C ATOM 447 CD2 TRP A 246 -2.304 -17.525 16.244 1.00 0.00 C ATOM 448 NE1 TRP A 246 -1.164 -17.812 18.147 1.00 0.00 N ATOM 449 CE2 TRP A 246 -1.353 -16.949 17.101 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.676 -16.837 15.085 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.770 -15.716 16.839 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -2.102 -15.612 14.829 1.00 0.00 C ATOM 453 CH2 TRP A 246 -1.153 -15.065 15.699 1.00 0.00 C ATOM 0 H TRP A 246 -4.748 -19.965 18.469 1.00 0.00 H new ATOM 0 HA TRP A 246 -5.313 -18.375 16.148 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -3.465 -20.758 16.657 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -3.490 -19.852 15.158 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -2.026 -19.746 18.648 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.530 -17.662 18.932 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -3.400 -17.259 14.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 -0.041 -15.287 17.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -2.389 -15.065 13.943 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.713 -14.107 15.465 1.00 0.00 H new ATOM 464 N ALA A 247 -6.637 -21.336 16.361 1.00 0.00 N ATOM 465 CA ALA A 247 -7.449 -22.393 15.722 1.00 0.00 C ATOM 466 C ALA A 247 -8.642 -21.806 14.945 1.00 0.00 C ATOM 467 O ALA A 247 -8.846 -22.115 13.763 1.00 0.00 O ATOM 468 CB ALA A 247 -7.930 -23.397 16.788 1.00 0.00 C ATOM 0 H ALA A 247 -6.559 -21.440 17.373 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.821 -22.913 14.998 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -8.528 -24.174 16.312 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -7.067 -23.851 17.276 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -8.535 -22.877 17.531 1.00 0.00 H new ATOM 474 N THR A 248 -9.391 -20.916 15.615 1.00 0.00 N ATOM 475 CA THR A 248 -10.609 -20.315 15.050 1.00 0.00 C ATOM 476 C THR A 248 -10.262 -19.144 14.103 1.00 0.00 C ATOM 477 O THR A 248 -11.031 -18.840 13.180 1.00 0.00 O ATOM 478 CB THR A 248 -11.587 -19.866 16.186 1.00 0.00 C ATOM 479 OG1 THR A 248 -11.714 -20.929 17.156 1.00 0.00 O ATOM 480 CG2 THR A 248 -12.988 -19.511 15.654 1.00 0.00 C ATOM 0 H THR A 248 -9.171 -20.594 16.558 1.00 0.00 H new ATOM 0 HA THR A 248 -11.119 -21.074 14.457 1.00 0.00 H new ATOM 0 HB THR A 248 -11.165 -18.969 16.639 1.00 0.00 H new ATOM 0 HG1 THR A 248 -11.251 -20.675 17.982 1.00 0.00 H new ATOM 0 HG21 THR A 248 -13.626 -19.206 16.484 1.00 0.00 H new ATOM 0 HG22 THR A 248 -12.909 -18.693 14.938 1.00 0.00 H new ATOM 0 HG23 THR A 248 -13.422 -20.382 15.163 1.00 0.00 H new ATOM 488 N ILE A 249 -9.087 -18.505 14.324 1.00 0.00 N ATOM 489 CA ILE A 249 -8.556 -17.465 13.409 1.00 0.00 C ATOM 490 C ILE A 249 -8.328 -18.085 12.013 1.00 0.00 C ATOM 491 O ILE A 249 -8.901 -17.630 11.011 1.00 0.00 O ATOM 492 CB ILE A 249 -7.201 -16.841 13.944 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.398 -16.168 15.340 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.607 -15.836 12.932 1.00 0.00 C ATOM 495 CD1 ILE A 249 -6.113 -15.669 15.980 1.00 0.00 C ATOM 0 H ILE A 249 -8.489 -18.692 15.129 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.288 -16.660 13.352 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.491 -17.659 14.062 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -8.086 -15.329 15.232 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.871 -16.884 16.012 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.678 -15.426 13.329 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.405 -16.345 11.989 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.318 -15.027 12.763 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.339 -15.216 16.945 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.429 -16.506 16.123 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.648 -14.927 15.331 1.00 0.00 H new ATOM 507 N GLY A 250 -7.509 -19.156 11.989 1.00 0.00 N ATOM 508 CA GLY A 250 -7.216 -19.910 10.771 1.00 0.00 C ATOM 509 C GLY A 250 -8.469 -20.516 10.147 1.00 0.00 C ATOM 510 O GLY A 250 -8.588 -20.573 8.926 1.00 0.00 O ATOM 0 H GLY A 250 -7.036 -19.516 12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.734 -19.253 10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.507 -20.705 11.001 1.00 0.00 H new ATOM 514 N ALA A 251 -9.412 -20.960 11.002 1.00 0.00 N ATOM 515 CA ALA A 251 -10.710 -21.516 10.563 1.00 0.00 C ATOM 516 C ALA A 251 -11.552 -20.468 9.806 1.00 0.00 C ATOM 517 O ALA A 251 -12.222 -20.795 8.822 1.00 0.00 O ATOM 518 CB ALA A 251 -11.487 -22.067 11.766 1.00 0.00 C ATOM 0 H ALA A 251 -9.297 -20.944 12.015 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.505 -22.333 9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -12.440 -22.473 11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.906 -22.855 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.667 -21.264 12.481 1.00 0.00 H new ATOM 524 N ALA A 252 -11.492 -19.205 10.276 1.00 0.00 N ATOM 525 CA ALA A 252 -12.217 -18.072 9.653 1.00 0.00 C ATOM 526 C ALA A 252 -11.596 -17.692 8.294 1.00 0.00 C ATOM 527 O ALA A 252 -12.302 -17.300 7.360 1.00 0.00 O ATOM 528 CB ALA A 252 -12.217 -16.858 10.597 1.00 0.00 C ATOM 0 H ALA A 252 -10.943 -18.940 11.094 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.246 -18.385 9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.752 -16.032 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.709 -17.125 11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.190 -16.555 10.800 1.00 0.00 H new ATOM 534 N LEU A 253 -10.261 -17.801 8.221 1.00 0.00 N ATOM 535 CA LEU A 253 -9.485 -17.532 6.992 1.00 0.00 C ATOM 536 C LEU A 253 -9.612 -18.690 5.980 1.00 0.00 C ATOM 537 O LEU A 253 -9.486 -18.482 4.767 1.00 0.00 O ATOM 538 CB LEU A 253 -7.996 -17.309 7.362 1.00 0.00 C ATOM 539 CG LEU A 253 -7.720 -16.147 8.370 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.258 -16.160 8.846 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.101 -14.774 7.777 1.00 0.00 C ATOM 0 H LEU A 253 -9.683 -18.079 9.014 1.00 0.00 H new ATOM 0 HA LEU A 253 -9.887 -16.635 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -7.602 -18.234 7.784 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -7.438 -17.113 6.447 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.357 -16.313 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.096 -15.340 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.045 -17.107 9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.595 -16.041 7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -7.894 -13.992 8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -7.516 -14.592 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.162 -14.767 7.528 1.00 0.00 H new ATOM 553 N GLY A 254 -9.886 -19.906 6.491 1.00 0.00 N ATOM 554 CA GLY A 254 -9.862 -21.130 5.677 1.00 0.00 C ATOM 555 C GLY A 254 -8.439 -21.667 5.484 1.00 0.00 C ATOM 556 O GLY A 254 -8.182 -22.477 4.588 1.00 0.00 O ATOM 0 H GLY A 254 -10.127 -20.064 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.476 -21.894 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -10.307 -20.926 4.703 1.00 0.00 H new ATOM 560 N ARG A 255 -7.526 -21.197 6.348 1.00 0.00 N ATOM 561 CA ARG A 255 -6.087 -21.515 6.320 1.00 0.00 C ATOM 562 C ARG A 255 -5.697 -22.368 7.535 1.00 0.00 C ATOM 563 O ARG A 255 -6.495 -22.551 8.468 1.00 0.00 O ATOM 564 CB ARG A 255 -5.272 -20.188 6.310 1.00 0.00 C ATOM 565 CG ARG A 255 -5.471 -19.327 5.042 1.00 0.00 C ATOM 566 CD ARG A 255 -4.915 -20.015 3.781 1.00 0.00 C ATOM 567 NE ARG A 255 -3.460 -20.257 3.903 1.00 0.00 N ATOM 568 CZ ARG A 255 -2.761 -21.199 3.259 1.00 0.00 C ATOM 569 NH1 ARG A 255 -3.361 -22.113 2.508 1.00 0.00 N ATOM 570 NH2 ARG A 255 -1.442 -21.245 3.402 1.00 0.00 N ATOM 0 H ARG A 255 -7.775 -20.566 7.109 1.00 0.00 H new ATOM 0 HA ARG A 255 -5.864 -22.088 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.551 -19.598 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.213 -20.425 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -6.533 -19.124 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -4.977 -18.365 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -5.432 -20.961 3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -5.111 -19.393 2.907 1.00 0.00 H new ATOM 0 HE ARG A 255 -2.942 -19.649 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -4.376 -22.108 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -2.807 -22.821 2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -0.970 -20.566 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -0.901 -21.959 2.915 1.00 0.00 H new ATOM 584 N SER A 256 -4.463 -22.893 7.509 1.00 0.00 N ATOM 585 CA SER A 256 -3.885 -23.652 8.619 1.00 0.00 C ATOM 586 C SER A 256 -3.540 -22.689 9.776 1.00 0.00 C ATOM 587 O SER A 256 -2.934 -21.627 9.545 1.00 0.00 O ATOM 588 CB SER A 256 -2.620 -24.403 8.141 1.00 0.00 C ATOM 589 OG SER A 256 -2.879 -25.149 6.959 1.00 0.00 O ATOM 0 H SER A 256 -3.837 -22.800 6.709 1.00 0.00 H new ATOM 0 HA SER A 256 -4.608 -24.386 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 256 -1.819 -23.688 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 256 -2.273 -25.073 8.928 1.00 0.00 H new ATOM 0 HG SER A 256 -2.062 -25.612 6.679 1.00 0.00 H new ATOM 595 N ALA A 257 -3.942 -23.063 11.004 1.00 0.00 N ATOM 596 CA ALA A 257 -3.731 -22.243 12.216 1.00 0.00 C ATOM 597 C ALA A 257 -2.231 -22.082 12.534 1.00 0.00 C ATOM 598 O ALA A 257 -1.804 -21.034 13.019 1.00 0.00 O ATOM 599 CB ALA A 257 -4.474 -22.860 13.403 1.00 0.00 C ATOM 0 H ALA A 257 -4.423 -23.943 11.187 1.00 0.00 H new ATOM 0 HA ALA A 257 -4.133 -21.248 12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -4.312 -22.249 14.291 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.540 -22.904 13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -4.099 -23.868 13.583 1.00 0.00 H new ATOM 605 N SER A 258 -1.449 -23.138 12.242 1.00 0.00 N ATOM 606 CA SER A 258 0.014 -23.132 12.394 1.00 0.00 C ATOM 607 C SER A 258 0.670 -22.158 11.393 1.00 0.00 C ATOM 608 O SER A 258 1.604 -21.437 11.751 1.00 0.00 O ATOM 609 CB SER A 258 0.573 -24.560 12.208 1.00 0.00 C ATOM 610 OG SER A 258 -0.005 -25.457 13.146 1.00 0.00 O ATOM 0 H SER A 258 -1.818 -24.022 11.893 1.00 0.00 H new ATOM 0 HA SER A 258 0.254 -22.789 13.401 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.369 -24.906 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 258 1.656 -24.549 12.329 1.00 0.00 H new ATOM 0 HG SER A 258 0.362 -26.355 13.009 1.00 0.00 H new ATOM 616 N SER A 259 0.149 -22.132 10.144 1.00 0.00 N ATOM 617 CA SER A 259 0.682 -21.262 9.073 1.00 0.00 C ATOM 618 C SER A 259 0.531 -19.774 9.445 1.00 0.00 C ATOM 619 O SER A 259 1.481 -19.004 9.321 1.00 0.00 O ATOM 620 CB SER A 259 -0.024 -21.542 7.726 1.00 0.00 C ATOM 621 OG SER A 259 0.130 -22.895 7.337 1.00 0.00 O ATOM 0 H SER A 259 -0.643 -22.706 9.854 1.00 0.00 H new ATOM 0 HA SER A 259 1.742 -21.489 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 259 -1.084 -21.304 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.387 -20.890 6.955 1.00 0.00 H new ATOM 0 HG SER A 259 -0.328 -23.044 6.483 1.00 0.00 H new ATOM 627 N VAL A 260 -0.668 -19.396 9.930 1.00 0.00 N ATOM 628 CA VAL A 260 -0.995 -17.994 10.261 1.00 0.00 C ATOM 629 C VAL A 260 -0.335 -17.561 11.594 1.00 0.00 C ATOM 630 O VAL A 260 0.055 -16.390 11.750 1.00 0.00 O ATOM 631 CB VAL A 260 -2.557 -17.753 10.281 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.184 -18.147 8.917 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.264 -18.482 11.455 1.00 0.00 C ATOM 0 H VAL A 260 -1.433 -20.049 10.103 1.00 0.00 H new ATOM 0 HA VAL A 260 -0.581 -17.366 9.472 1.00 0.00 H new ATOM 0 HB VAL A 260 -2.714 -16.687 10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.260 -17.975 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -2.742 -17.542 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -2.991 -19.201 8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.334 -18.280 11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.094 -19.555 11.372 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.860 -18.123 12.402 1.00 0.00 H new ATOM 643 N LYS A 261 -0.187 -18.528 12.527 1.00 0.00 N ATOM 644 CA LYS A 261 0.514 -18.316 13.811 1.00 0.00 C ATOM 645 C LYS A 261 1.978 -17.940 13.563 1.00 0.00 C ATOM 646 O LYS A 261 2.431 -16.865 13.958 1.00 0.00 O ATOM 647 CB LYS A 261 0.455 -19.597 14.687 1.00 0.00 C ATOM 648 CG LYS A 261 1.228 -19.511 16.030 1.00 0.00 C ATOM 649 CD LYS A 261 1.201 -20.836 16.828 1.00 0.00 C ATOM 650 CE LYS A 261 1.897 -21.992 16.088 1.00 0.00 C ATOM 651 NZ LYS A 261 1.838 -23.256 16.867 1.00 0.00 N ATOM 0 H LYS A 261 -0.549 -19.474 12.411 1.00 0.00 H new ATOM 0 HA LYS A 261 0.014 -17.502 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.589 -19.825 14.900 1.00 0.00 H new ATOM 0 HB3 LYS A 261 0.852 -20.432 14.110 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.263 -19.235 15.830 1.00 0.00 H new ATOM 0 HG3 LYS A 261 0.798 -18.717 16.640 1.00 0.00 H new ATOM 0 HD2 LYS A 261 1.686 -20.684 17.792 1.00 0.00 H new ATOM 0 HD3 LYS A 261 0.166 -21.111 17.031 1.00 0.00 H new ATOM 0 HE2 LYS A 261 1.424 -22.140 15.117 1.00 0.00 H new ATOM 0 HE3 LYS A 261 2.938 -21.729 15.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.317 -24.013 16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 2.311 -23.122 17.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 0.845 -23.520 17.026 1.00 0.00 H new ATOM 665 N ASP A 262 2.687 -18.845 12.870 1.00 0.00 N ATOM 666 CA ASP A 262 4.124 -18.710 12.577 1.00 0.00 C ATOM 667 C ASP A 262 4.398 -17.604 11.559 1.00 0.00 C ATOM 668 O ASP A 262 5.503 -17.079 11.509 1.00 0.00 O ATOM 669 CB ASP A 262 4.731 -20.061 12.126 1.00 0.00 C ATOM 670 CG ASP A 262 4.696 -21.115 13.251 1.00 0.00 C ATOM 671 OD1 ASP A 262 5.290 -20.864 14.322 1.00 0.00 O ATOM 672 OD2 ASP A 262 4.101 -22.201 13.065 1.00 0.00 O ATOM 0 H ASP A 262 2.276 -19.699 12.494 1.00 0.00 H new ATOM 0 HA ASP A 262 4.618 -18.416 13.503 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.182 -20.435 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 262 5.761 -19.907 11.806 1.00 0.00 H new ATOM 677 N ARG A 263 3.399 -17.274 10.727 1.00 0.00 N ATOM 678 CA ARG A 263 3.481 -16.110 9.821 1.00 0.00 C ATOM 679 C ARG A 263 3.568 -14.816 10.651 1.00 0.00 C ATOM 680 O ARG A 263 4.442 -13.991 10.418 1.00 0.00 O ATOM 681 CB ARG A 263 2.279 -16.063 8.828 1.00 0.00 C ATOM 682 CG ARG A 263 2.329 -14.927 7.773 1.00 0.00 C ATOM 683 CD ARG A 263 3.667 -14.876 7.006 1.00 0.00 C ATOM 684 NE ARG A 263 4.066 -16.181 6.434 1.00 0.00 N ATOM 685 CZ ARG A 263 5.312 -16.502 6.038 1.00 0.00 C ATOM 686 NH1 ARG A 263 6.303 -15.617 6.086 1.00 0.00 N ATOM 687 NH2 ARG A 263 5.563 -17.715 5.587 1.00 0.00 N ATOM 0 H ARG A 263 2.524 -17.794 10.660 1.00 0.00 H new ATOM 0 HA ARG A 263 4.383 -16.207 9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.224 -17.018 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 263 1.359 -15.961 9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.514 -15.062 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 263 2.164 -13.970 8.269 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.589 -14.144 6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 263 4.450 -14.528 7.679 1.00 0.00 H new ATOM 0 HE ARG A 263 3.342 -16.892 6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 263 6.127 -14.672 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 263 7.239 -15.883 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 263 4.815 -18.406 5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 263 6.506 -17.962 5.286 1.00 0.00 H new ATOM 701 N CYS A 264 2.675 -14.679 11.648 1.00 0.00 N ATOM 702 CA CYS A 264 2.637 -13.488 12.530 1.00 0.00 C ATOM 703 C CYS A 264 3.782 -13.507 13.577 1.00 0.00 C ATOM 704 O CYS A 264 4.173 -12.456 14.098 1.00 0.00 O ATOM 705 CB CYS A 264 1.270 -13.388 13.235 1.00 0.00 C ATOM 706 SG CYS A 264 0.984 -11.804 14.055 1.00 0.00 S ATOM 0 H CYS A 264 1.966 -15.379 11.867 1.00 0.00 H new ATOM 0 HA CYS A 264 2.781 -12.609 11.901 1.00 0.00 H new ATOM 0 HB2 CYS A 264 0.481 -13.554 12.502 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.193 -14.187 13.972 1.00 0.00 H new ATOM 0 HG CYS A 264 2.082 -11.407 14.627 1.00 0.00 H new ATOM 712 N ARG A 265 4.284 -14.719 13.896 1.00 0.00 N ATOM 713 CA ARG A 265 5.381 -14.919 14.866 1.00 0.00 C ATOM 714 C ARG A 265 6.741 -14.548 14.240 1.00 0.00 C ATOM 715 O ARG A 265 7.461 -13.699 14.772 1.00 0.00 O ATOM 716 CB ARG A 265 5.389 -16.390 15.386 1.00 0.00 C ATOM 717 CG ARG A 265 6.533 -16.707 16.374 1.00 0.00 C ATOM 718 CD ARG A 265 6.463 -18.121 16.973 1.00 0.00 C ATOM 719 NE ARG A 265 7.593 -18.358 17.895 1.00 0.00 N ATOM 720 CZ ARG A 265 7.558 -19.093 19.016 1.00 0.00 C ATOM 721 NH1 ARG A 265 6.461 -19.745 19.387 1.00 0.00 N ATOM 722 NH2 ARG A 265 8.651 -19.187 19.757 1.00 0.00 N ATOM 0 H ARG A 265 3.939 -15.588 13.487 1.00 0.00 H new ATOM 0 HA ARG A 265 5.212 -14.258 15.716 1.00 0.00 H new ATOM 0 HB2 ARG A 265 4.436 -16.596 15.873 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.464 -17.064 14.533 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.487 -16.587 15.861 1.00 0.00 H new ATOM 0 HG3 ARG A 265 6.513 -15.978 17.184 1.00 0.00 H new ATOM 0 HD2 ARG A 265 5.521 -18.249 17.506 1.00 0.00 H new ATOM 0 HD3 ARG A 265 6.480 -18.861 16.173 1.00 0.00 H new ATOM 0 HE ARG A 265 8.483 -17.921 17.656 1.00 0.00 H new ATOM 0 HH11 ARG A 265 5.619 -19.693 18.814 1.00 0.00 H new ATOM 0 HH12 ARG A 265 6.461 -20.297 20.245 1.00 0.00 H new ATOM 0 HH21 ARG A 265 9.503 -18.704 19.472 1.00 0.00 H new ATOM 0 HH22 ARG A 265 8.641 -19.742 20.613 1.00 0.00 H new