USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 489 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 338 HIS : no HE2:sc= 0.166 K(o=0.32,f=-1.3) USER MOD Set 1.2: A 363 SER OG : rot 180:sc= 0.158 USER MOD Set 2.1: A 301 THR OG1 : rot 75:sc= 0.643 USER MOD Set 2.2: A 303 ASN :FLIP amide:sc= 0.553 F(o=-2.1!,f=1.2) USER MOD Single : A 289 HIS : no HD1:sc= -2.47! X(o=-2.5!,f=-2.2) USER MOD Single : A 290 CYS SG : rot 180:sc= -0.574 USER MOD Single : A 292 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.1!) USER MOD Single : A 293 MET CE :methyl -171:sc= -1.78 (180deg=-2.47) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.936 K(o=0.94,f=-0.24) USER MOD Single : A 310 SER OG : rot 129:sc= -1.51 USER MOD Single : A 313 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 318 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : A 337 THR OG1 : rot -19:sc= 1.15 USER MOD Single : A 345 MET CE :methyl -167:sc= -3.18! (180deg=-3.71!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 LYS NZ :NH3+ -134:sc= 0.0622 (180deg=-0.193) USER MOD Single : A 351 ASN : amide:sc= 0.0419 K(o=0.042,f=-3.1!) USER MOD Single : A 352 MET CE :methyl 151:sc= -0.0179 (180deg=-0.8) USER MOD Single : A 353 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.0051) USER MOD Single : A 354 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=-0.12) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.82) USER MOD Single : A 364 THR OG1 : rot 180:sc=-0.00387 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.833 5.136 -6.192 1.00 0.00 N ATOM 160 CA HIS A 289 -3.391 4.961 -6.112 1.00 0.00 C ATOM 161 C HIS A 289 -3.088 3.881 -5.073 1.00 0.00 C ATOM 162 O HIS A 289 -3.859 3.730 -4.129 1.00 0.00 O ATOM 163 CB HIS A 289 -2.794 6.320 -5.728 1.00 0.00 C ATOM 164 CG HIS A 289 -3.035 7.377 -6.775 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.108 7.890 -7.653 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.223 8.009 -7.032 1.00 0.00 C ATOM 167 CE1 HIS A 289 -2.730 8.801 -8.422 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.025 8.913 -8.081 1.00 0.00 N ATOM 0 HA HIS A 289 -2.955 4.637 -7.057 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.224 6.647 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.721 6.209 -5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.154 7.838 -6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.253 9.367 -9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 289 -4.720 9.530 -8.501 1.00 0.00 H new ATOM 176 N CYS A 290 -1.991 3.126 -5.219 1.00 0.00 N ATOM 177 CA CYS A 290 -1.713 2.025 -4.301 1.00 0.00 C ATOM 178 C CYS A 290 -0.230 1.926 -3.951 1.00 0.00 C ATOM 179 O CYS A 290 0.608 2.611 -4.536 1.00 0.00 O ATOM 180 CB CYS A 290 -2.186 0.709 -4.929 1.00 0.00 C ATOM 181 SG CYS A 290 -3.973 0.755 -5.227 1.00 0.00 S ATOM 0 H CYS A 290 -1.295 3.258 -5.953 1.00 0.00 H new ATOM 0 HA CYS A 290 -2.254 2.219 -3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.659 0.537 -5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.943 -0.124 -4.269 1.00 0.00 H new ATOM 0 HG CYS A 290 -4.353 -0.368 -5.761 1.00 0.00 H new ATOM 187 N VAL A 291 0.079 1.057 -2.984 1.00 0.00 N ATOM 188 CA VAL A 291 1.434 0.765 -2.525 1.00 0.00 C ATOM 189 C VAL A 291 1.454 -0.680 -2.023 1.00 0.00 C ATOM 190 O VAL A 291 0.464 -1.149 -1.463 1.00 0.00 O ATOM 191 CB VAL A 291 1.818 1.735 -1.396 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.231 1.482 -0.884 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.775 3.192 -1.858 1.00 0.00 C ATOM 0 H VAL A 291 -0.632 0.522 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 291 2.154 0.888 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 291 1.087 1.559 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.461 2.189 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.302 0.465 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 291 3.942 1.610 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.053 3.845 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.474 3.333 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.767 3.438 -2.192 1.00 0.00 H new ATOM 203 N HIS A 292 2.569 -1.391 -2.217 1.00 0.00 N ATOM 204 CA HIS A 292 2.706 -2.774 -1.775 1.00 0.00 C ATOM 205 C HIS A 292 3.198 -2.825 -0.329 1.00 0.00 C ATOM 206 O HIS A 292 3.695 -1.828 0.182 1.00 0.00 O ATOM 207 CB HIS A 292 3.718 -3.490 -2.671 1.00 0.00 C ATOM 208 CG HIS A 292 3.328 -3.518 -4.124 1.00 0.00 C ATOM 209 ND1 HIS A 292 2.131 -3.960 -4.639 1.00 0.00 N ATOM 210 CD2 HIS A 292 4.097 -3.110 -5.182 1.00 0.00 C ATOM 211 CE1 HIS A 292 2.185 -3.826 -5.975 1.00 0.00 C ATOM 212 NE2 HIS A 292 3.366 -3.309 -6.359 1.00 0.00 N ATOM 0 H HIS A 292 3.397 -1.022 -2.684 1.00 0.00 H new ATOM 0 HA HIS A 292 1.734 -3.262 -1.838 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.687 -3.000 -2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.842 -4.514 -2.318 1.00 0.00 H new ATOM 0 HD1 HIS A 292 1.344 -4.324 -4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 292 5.096 -2.704 -5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 292 1.387 -4.097 -6.650 1.00 0.00 H new ATOM 220 N MET A 293 3.065 -3.979 0.333 1.00 0.00 N ATOM 221 CA MET A 293 3.600 -4.171 1.675 1.00 0.00 C ATOM 222 C MET A 293 3.908 -5.643 1.935 1.00 0.00 C ATOM 223 O MET A 293 3.195 -6.535 1.476 1.00 0.00 O ATOM 224 CB MET A 293 2.593 -3.677 2.717 1.00 0.00 C ATOM 225 CG MET A 293 3.107 -3.922 4.138 1.00 0.00 C ATOM 226 SD MET A 293 1.895 -3.586 5.434 1.00 0.00 S ATOM 227 CE MET A 293 2.975 -3.743 6.877 1.00 0.00 C ATOM 0 H MET A 293 2.587 -4.796 -0.046 1.00 0.00 H new ATOM 0 HA MET A 293 4.524 -3.598 1.753 1.00 0.00 H new ATOM 0 HB2 MET A 293 2.408 -2.613 2.572 1.00 0.00 H new ATOM 0 HB3 MET A 293 1.640 -4.188 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 293 3.432 -4.959 4.221 1.00 0.00 H new ATOM 0 HG3 MET A 293 3.985 -3.298 4.307 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.373 -3.726 7.786 1.00 0.00 H new ATOM 0 HE2 MET A 293 3.522 -4.684 6.821 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.681 -2.913 6.895 1.00 0.00 H new ATOM 237 N ARG A 294 4.987 -5.881 2.686 1.00 0.00 N ATOM 238 CA ARG A 294 5.374 -7.196 3.177 1.00 0.00 C ATOM 239 C ARG A 294 6.103 -7.011 4.506 1.00 0.00 C ATOM 240 O ARG A 294 6.344 -5.885 4.937 1.00 0.00 O ATOM 241 CB ARG A 294 6.297 -7.905 2.181 1.00 0.00 C ATOM 242 CG ARG A 294 5.658 -8.108 0.803 1.00 0.00 C ATOM 243 CD ARG A 294 6.631 -8.839 -0.122 1.00 0.00 C ATOM 244 NE ARG A 294 7.878 -8.083 -0.256 1.00 0.00 N ATOM 245 CZ ARG A 294 8.676 -8.079 -1.326 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.414 -8.841 -2.387 1.00 0.00 N ATOM 247 NH2 ARG A 294 9.751 -7.297 -1.322 1.00 0.00 N ATOM 0 H ARG A 294 5.628 -5.142 2.974 1.00 0.00 H new ATOM 0 HA ARG A 294 4.483 -7.811 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.212 -7.324 2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.583 -8.875 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 294 4.736 -8.682 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 294 5.389 -7.144 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 294 6.842 -9.832 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 294 6.175 -8.977 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 294 8.162 -7.509 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 294 7.590 -9.443 -2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 294 9.037 -8.823 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 294 9.954 -6.714 -0.510 1.00 0.00 H new ATOM 0 HH22 ARG A 294 10.373 -7.280 -2.131 1.00 0.00 H new ATOM 261 N GLY A 295 6.458 -8.115 5.159 1.00 0.00 N ATOM 262 CA GLY A 295 7.198 -8.076 6.410 1.00 0.00 C ATOM 263 C GLY A 295 6.333 -8.473 7.596 1.00 0.00 C ATOM 264 O GLY A 295 6.870 -8.860 8.633 1.00 0.00 O ATOM 0 H GLY A 295 6.240 -9.057 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 295 8.055 -8.747 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.591 -7.072 6.568 1.00 0.00 H new ATOM 268 N LEU A 296 5.006 -8.382 7.455 1.00 0.00 N ATOM 269 CA LEU A 296 4.100 -8.792 8.514 1.00 0.00 C ATOM 270 C LEU A 296 4.393 -10.241 8.878 1.00 0.00 C ATOM 271 O LEU A 296 4.544 -11.075 7.985 1.00 0.00 O ATOM 272 CB LEU A 296 2.645 -8.706 8.043 1.00 0.00 C ATOM 273 CG LEU A 296 2.098 -7.285 7.906 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.614 -7.384 7.555 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.230 -6.496 9.209 1.00 0.00 C ATOM 0 H LEU A 296 4.544 -8.028 6.617 1.00 0.00 H new ATOM 0 HA LEU A 296 4.244 -8.133 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 296 2.560 -9.207 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 296 2.018 -9.256 8.745 1.00 0.00 H new ATOM 0 HG LEU A 296 2.669 -6.767 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.197 -6.382 7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.498 -7.925 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.087 -7.916 8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.830 -5.492 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.673 -7.001 9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.281 -6.431 9.490 1.00 0.00 H new ATOM 344 N ALA A 300 0.070 -11.556 11.750 1.00 0.00 N ATOM 345 CA ALA A 300 -0.362 -10.169 11.898 1.00 0.00 C ATOM 346 C ALA A 300 -1.435 -9.828 10.858 1.00 0.00 C ATOM 347 O ALA A 300 -1.718 -10.639 9.977 1.00 0.00 O ATOM 348 CB ALA A 300 0.852 -9.256 11.746 1.00 0.00 C ATOM 0 HA ALA A 300 -0.801 -10.024 12.885 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.542 -8.217 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.587 -9.497 12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.295 -9.401 10.761 1.00 0.00 H new ATOM 354 N THR A 301 -2.036 -8.634 10.951 1.00 0.00 N ATOM 355 CA THR A 301 -3.126 -8.254 10.054 1.00 0.00 C ATOM 356 C THR A 301 -3.193 -6.761 9.754 1.00 0.00 C ATOM 357 O THR A 301 -2.491 -5.930 10.335 1.00 0.00 O ATOM 358 CB THR A 301 -4.479 -8.680 10.637 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.436 -8.713 12.047 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.885 -10.052 10.113 1.00 0.00 C ATOM 0 H THR A 301 -1.785 -7.921 11.636 1.00 0.00 H new ATOM 0 HA THR A 301 -2.914 -8.772 9.119 1.00 0.00 H new ATOM 0 HB THR A 301 -5.217 -7.942 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.452 -7.797 12.396 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.848 -10.334 10.540 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.966 -10.017 9.027 1.00 0.00 H new ATOM 0 HG23 THR A 301 -4.133 -10.787 10.398 1.00 0.00 H new ATOM 368 N GLU A 302 -4.082 -6.442 8.810 1.00 0.00 N ATOM 369 CA GLU A 302 -4.346 -5.098 8.333 1.00 0.00 C ATOM 370 C GLU A 302 -4.651 -4.106 9.451 1.00 0.00 C ATOM 371 O GLU A 302 -4.360 -2.921 9.309 1.00 0.00 O ATOM 372 CB GLU A 302 -5.511 -5.154 7.345 1.00 0.00 C ATOM 373 CG GLU A 302 -6.856 -5.281 8.059 1.00 0.00 C ATOM 374 CD GLU A 302 -7.974 -5.633 7.080 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.057 -6.824 6.706 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.736 -4.711 6.713 1.00 0.00 O ATOM 0 H GLU A 302 -4.655 -7.146 8.344 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.439 -4.734 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.510 -4.254 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.376 -6.000 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.790 -6.049 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.093 -4.344 8.563 1.00 0.00 H new ATOM 383 N ASN A 303 -5.235 -4.580 10.556 1.00 0.00 N ATOM 384 CA ASN A 303 -5.605 -3.719 11.669 1.00 0.00 C ATOM 385 C ASN A 303 -4.402 -2.992 12.271 1.00 0.00 C ATOM 386 O ASN A 303 -4.579 -2.047 13.039 1.00 0.00 O ATOM 387 CB ASN A 303 -6.348 -4.526 12.733 1.00 0.00 C ATOM 388 CG ASN A 303 -5.370 -5.283 13.612 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.395 -5.928 12.983 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -5.487 -5.288 14.834 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.461 -5.565 10.698 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.269 -2.947 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.954 -3.858 13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -7.032 -5.227 12.254 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -6.252 -4.778 15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.819 -5.802 15.408 1.00 0.00 H new ATOM 397 N ASP A 304 -3.184 -3.425 11.927 1.00 0.00 N ATOM 398 CA ASP A 304 -1.974 -2.767 12.386 1.00 0.00 C ATOM 399 C ASP A 304 -1.225 -2.116 11.225 1.00 0.00 C ATOM 400 O ASP A 304 -0.413 -1.217 11.434 1.00 0.00 O ATOM 401 CB ASP A 304 -1.112 -3.785 13.137 1.00 0.00 C ATOM 402 CG ASP A 304 -0.064 -3.126 14.034 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.206 -1.915 14.315 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.877 -3.847 14.434 1.00 0.00 O ATOM 0 H ASP A 304 -3.019 -4.234 11.328 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.231 -1.958 13.070 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.755 -4.421 13.745 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.612 -4.433 12.417 1.00 0.00 H new ATOM 409 N ILE A 305 -1.490 -2.561 9.993 1.00 0.00 N ATOM 410 CA ILE A 305 -0.889 -1.945 8.820 1.00 0.00 C ATOM 411 C ILE A 305 -1.241 -0.464 8.740 1.00 0.00 C ATOM 412 O ILE A 305 -0.354 0.384 8.805 1.00 0.00 O ATOM 413 CB ILE A 305 -1.416 -2.624 7.562 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.975 -4.085 7.503 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.938 -1.855 6.323 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.509 -4.725 6.221 1.00 0.00 C ATOM 0 H ILE A 305 -2.114 -3.342 9.789 1.00 0.00 H new ATOM 0 HA ILE A 305 0.192 -2.057 8.899 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.506 -2.613 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.113 -4.149 7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.347 -4.624 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.316 -2.342 5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.310 -0.831 6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.152 -1.845 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.195 -5.768 6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.598 -4.673 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.115 -4.191 5.356 1.00 0.00 H new ATOM 428 N TYR A 306 -2.532 -0.143 8.598 1.00 0.00 N ATOM 429 CA TYR A 306 -2.949 1.243 8.431 1.00 0.00 C ATOM 430 C TYR A 306 -2.866 1.998 9.757 1.00 0.00 C ATOM 431 O TYR A 306 -3.328 3.132 9.864 1.00 0.00 O ATOM 432 CB TYR A 306 -4.331 1.328 7.776 1.00 0.00 C ATOM 433 CG TYR A 306 -5.503 0.850 8.601 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.900 -0.497 8.582 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.202 1.778 9.384 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.975 -0.918 9.377 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.297 1.372 10.156 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.681 0.016 10.164 1.00 0.00 C ATOM 439 OH TYR A 306 -8.733 -0.390 10.931 1.00 0.00 O ATOM 0 H TYR A 306 -3.295 -0.820 8.596 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.258 1.737 7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.512 2.366 7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.306 0.749 6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.379 -1.206 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.894 2.813 9.392 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.263 -1.959 9.387 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.845 2.095 10.743 1.00 0.00 H new ATOM 0 HH TYR A 306 -9.105 0.380 11.410 1.00 0.00 H new ATOM 449 N ASN A 307 -2.271 1.355 10.767 1.00 0.00 N ATOM 450 CA ASN A 307 -2.046 1.937 12.073 1.00 0.00 C ATOM 451 C ASN A 307 -0.547 2.184 12.301 1.00 0.00 C ATOM 452 O ASN A 307 -0.165 2.749 13.324 1.00 0.00 O ATOM 453 CB ASN A 307 -2.657 0.976 13.090 1.00 0.00 C ATOM 454 CG ASN A 307 -2.260 1.301 14.513 1.00 0.00 C ATOM 455 OD1 ASN A 307 -2.717 2.281 15.096 1.00 0.00 O ATOM 456 ND2 ASN A 307 -1.399 0.463 15.077 1.00 0.00 N ATOM 0 H ASN A 307 -1.930 0.397 10.687 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.518 2.915 12.172 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.743 1.006 13.005 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.346 -0.042 12.854 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -1.089 0.619 16.036 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -1.048 -0.337 14.551 1.00 0.00 H new ATOM 463 N PHE A 308 0.307 1.768 11.356 1.00 0.00 N ATOM 464 CA PHE A 308 1.734 2.075 11.398 1.00 0.00 C ATOM 465 C PHE A 308 2.200 2.750 10.104 1.00 0.00 C ATOM 466 O PHE A 308 3.271 3.354 10.079 1.00 0.00 O ATOM 467 CB PHE A 308 2.541 0.793 11.654 1.00 0.00 C ATOM 468 CG PHE A 308 3.487 0.422 10.527 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.979 -0.081 9.320 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.872 0.585 10.682 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.845 -0.376 8.259 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.741 0.273 9.627 1.00 0.00 C ATOM 473 CZ PHE A 308 5.225 -0.188 8.409 1.00 0.00 C ATOM 0 H PHE A 308 0.026 1.213 10.548 1.00 0.00 H new ATOM 0 HA PHE A 308 1.905 2.774 12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.116 0.916 12.572 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.849 -0.032 11.820 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.917 -0.241 9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.270 0.952 11.617 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.449 -0.748 7.326 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.807 0.388 9.753 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.891 -0.399 7.585 1.00 0.00 H new ATOM 483 N PHE A 309 1.404 2.651 9.033 1.00 0.00 N ATOM 484 CA PHE A 309 1.781 3.152 7.720 1.00 0.00 C ATOM 485 C PHE A 309 2.054 4.656 7.739 1.00 0.00 C ATOM 486 O PHE A 309 3.027 5.115 7.144 1.00 0.00 O ATOM 487 CB PHE A 309 0.649 2.839 6.736 1.00 0.00 C ATOM 488 CG PHE A 309 1.098 2.140 5.474 1.00 0.00 C ATOM 489 CD1 PHE A 309 1.344 0.760 5.488 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.265 2.866 4.287 1.00 0.00 C ATOM 491 CE1 PHE A 309 1.758 0.108 4.319 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.668 2.212 3.114 1.00 0.00 C ATOM 493 CZ PHE A 309 1.913 0.834 3.129 1.00 0.00 C ATOM 0 H PHE A 309 0.480 2.219 9.060 1.00 0.00 H new ATOM 0 HA PHE A 309 2.705 2.661 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -0.092 2.217 7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.152 3.770 6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 309 1.214 0.198 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 309 1.083 3.931 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 309 1.958 -0.953 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.789 2.772 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.221 0.330 2.225 1.00 0.00 H new ATOM 503 N SER A 310 1.190 5.413 8.425 1.00 0.00 N ATOM 504 CA SER A 310 1.251 6.866 8.475 1.00 0.00 C ATOM 505 C SER A 310 0.157 7.386 9.411 1.00 0.00 C ATOM 506 O SER A 310 -0.820 6.672 9.646 1.00 0.00 O ATOM 507 CB SER A 310 1.007 7.369 7.050 1.00 0.00 C ATOM 508 OG SER A 310 1.007 8.776 6.990 1.00 0.00 O ATOM 0 H SER A 310 0.420 5.021 8.967 1.00 0.00 H new ATOM 0 HA SER A 310 2.215 7.213 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 310 1.778 6.976 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.052 6.989 6.688 1.00 0.00 H new ATOM 0 HG SER A 310 1.612 9.073 6.279 1.00 0.00 H new ATOM 514 N PRO A 311 0.282 8.608 9.954 1.00 0.00 N ATOM 515 CA PRO A 311 -0.772 9.258 10.725 1.00 0.00 C ATOM 516 C PRO A 311 -2.044 9.520 9.905 1.00 0.00 C ATOM 517 O PRO A 311 -3.008 10.072 10.436 1.00 0.00 O ATOM 518 CB PRO A 311 -0.156 10.555 11.253 1.00 0.00 C ATOM 519 CG PRO A 311 0.961 10.855 10.257 1.00 0.00 C ATOM 520 CD PRO A 311 1.455 9.463 9.881 1.00 0.00 C ATOM 0 HA PRO A 311 -1.108 8.611 11.535 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -0.889 11.361 11.288 1.00 0.00 H new ATOM 0 HB3 PRO A 311 0.231 10.432 12.264 1.00 0.00 H new ATOM 0 HG2 PRO A 311 0.594 11.403 9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 311 1.751 11.458 10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 311 1.886 9.455 8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 311 2.233 9.123 10.565 1.00 0.00 H new ATOM 528 N LEU A 312 -2.055 9.130 8.625 1.00 0.00 N ATOM 529 CA LEU A 312 -3.223 9.124 7.759 1.00 0.00 C ATOM 530 C LEU A 312 -4.408 8.365 8.361 1.00 0.00 C ATOM 531 O LEU A 312 -4.320 7.768 9.434 1.00 0.00 O ATOM 532 CB LEU A 312 -2.793 8.474 6.441 1.00 0.00 C ATOM 533 CG LEU A 312 -2.318 9.478 5.388 1.00 0.00 C ATOM 534 CD1 LEU A 312 -1.582 10.702 5.929 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.405 8.748 4.407 1.00 0.00 C ATOM 0 H LEU A 312 -1.214 8.798 8.153 1.00 0.00 H new ATOM 0 HA LEU A 312 -3.569 10.148 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -1.991 7.763 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.630 7.905 6.036 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.221 9.869 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.290 11.347 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.238 11.252 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -0.692 10.381 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.055 9.447 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -0.550 8.336 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -1.957 7.939 3.929 1.00 0.00 H new ATOM 547 N ASN A 313 -5.528 8.406 7.637 1.00 0.00 N ATOM 548 CA ASN A 313 -6.799 7.841 8.046 1.00 0.00 C ATOM 549 C ASN A 313 -7.144 6.652 7.149 1.00 0.00 C ATOM 550 O ASN A 313 -6.607 6.530 6.047 1.00 0.00 O ATOM 551 CB ASN A 313 -7.836 8.962 7.931 1.00 0.00 C ATOM 552 CG ASN A 313 -7.532 10.111 8.877 1.00 0.00 C ATOM 553 OD1 ASN A 313 -7.079 9.907 10.001 1.00 0.00 O ATOM 554 ND2 ASN A 313 -7.783 11.333 8.423 1.00 0.00 N ATOM 0 H ASN A 313 -5.568 8.850 6.720 1.00 0.00 H new ATOM 0 HA ASN A 313 -6.771 7.468 9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -7.859 9.332 6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -8.827 8.564 8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -7.600 12.144 9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -8.159 11.461 7.484 1.00 0.00 H new ATOM 561 N PRO A 314 -8.039 5.770 7.610 1.00 0.00 N ATOM 562 CA PRO A 314 -8.353 4.520 6.946 1.00 0.00 C ATOM 563 C PRO A 314 -9.230 4.716 5.710 1.00 0.00 C ATOM 564 O PRO A 314 -10.373 5.163 5.793 1.00 0.00 O ATOM 565 CB PRO A 314 -9.035 3.679 8.022 1.00 0.00 C ATOM 566 CG PRO A 314 -9.739 4.716 8.894 1.00 0.00 C ATOM 567 CD PRO A 314 -8.800 5.920 8.836 1.00 0.00 C ATOM 0 HA PRO A 314 -7.461 4.032 6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.743 2.972 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.312 3.097 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.729 4.959 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -9.873 4.359 9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.362 6.854 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.142 5.944 9.704 1.00 0.00 H new ATOM 575 N VAL A 315 -8.651 4.364 4.561 1.00 0.00 N ATOM 576 CA VAL A 315 -9.274 4.344 3.238 1.00 0.00 C ATOM 577 C VAL A 315 -8.587 3.243 2.427 1.00 0.00 C ATOM 578 O VAL A 315 -8.626 3.250 1.197 1.00 0.00 O ATOM 579 CB VAL A 315 -9.090 5.687 2.507 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.808 6.849 3.190 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.611 6.058 2.402 1.00 0.00 C ATOM 0 H VAL A 315 -7.676 4.067 4.528 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.344 4.165 3.346 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.527 5.535 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.638 7.765 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.877 6.642 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.422 6.971 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.511 7.010 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.186 6.144 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.080 5.284 1.848 1.00 0.00 H new ATOM 591 N ARG A 316 -7.950 2.296 3.125 1.00 0.00 N ATOM 592 CA ARG A 316 -6.905 1.461 2.552 1.00 0.00 C ATOM 593 C ARG A 316 -6.959 0.012 3.047 1.00 0.00 C ATOM 594 O ARG A 316 -8.030 -0.482 3.395 1.00 0.00 O ATOM 595 CB ARG A 316 -5.573 2.156 2.862 1.00 0.00 C ATOM 596 CG ARG A 316 -5.245 2.175 4.360 1.00 0.00 C ATOM 597 CD ARG A 316 -4.095 3.142 4.650 1.00 0.00 C ATOM 598 NE ARG A 316 -4.561 4.535 4.659 1.00 0.00 N ATOM 599 CZ ARG A 316 -4.289 5.438 3.712 1.00 0.00 C ATOM 600 NH1 ARG A 316 -3.532 5.130 2.665 1.00 0.00 N ATOM 601 NH2 ARG A 316 -4.783 6.668 3.812 1.00 0.00 N ATOM 0 H ARG A 316 -8.150 2.092 4.104 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.040 1.366 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.771 1.649 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.608 3.180 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -6.128 2.471 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.976 1.172 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.647 2.900 5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.316 3.021 3.897 1.00 0.00 H new ATOM 0 HE ARG A 316 -5.135 4.836 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -3.147 4.190 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -3.336 5.833 1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -5.367 6.920 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -4.578 7.360 3.091 1.00 0.00 H new ATOM 615 N VAL A 317 -5.786 -0.637 3.065 1.00 0.00 N ATOM 616 CA VAL A 317 -5.516 -2.047 3.354 1.00 0.00 C ATOM 617 C VAL A 317 -6.285 -3.064 2.513 1.00 0.00 C ATOM 618 O VAL A 317 -7.471 -2.923 2.228 1.00 0.00 O ATOM 619 CB VAL A 317 -5.582 -2.404 4.839 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.349 -1.838 5.536 1.00 0.00 C ATOM 621 CG2 VAL A 317 -6.853 -1.957 5.558 1.00 0.00 C ATOM 0 H VAL A 317 -4.922 -0.137 2.857 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.477 -2.137 3.036 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.605 -3.492 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.385 -2.086 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.451 -2.268 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.329 -0.755 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.803 -2.257 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -6.944 -0.873 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.720 -2.422 5.088 1.00 0.00 H new ATOM 631 N HIS A 318 -5.545 -4.108 2.127 1.00 0.00 N ATOM 632 CA HIS A 318 -6.019 -5.291 1.432 1.00 0.00 C ATOM 633 C HIS A 318 -4.938 -6.363 1.583 1.00 0.00 C ATOM 634 O HIS A 318 -3.756 -6.032 1.646 1.00 0.00 O ATOM 635 CB HIS A 318 -6.229 -4.957 -0.045 1.00 0.00 C ATOM 636 CG HIS A 318 -6.822 -6.105 -0.813 1.00 0.00 C ATOM 637 ND1 HIS A 318 -6.411 -6.577 -2.038 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.879 -6.874 -0.413 1.00 0.00 C ATOM 639 CE1 HIS A 318 -7.210 -7.609 -2.363 1.00 0.00 C ATOM 640 NE2 HIS A 318 -8.126 -7.830 -1.404 1.00 0.00 N ATOM 0 H HIS A 318 -4.541 -4.144 2.306 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.965 -5.643 1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.884 -4.090 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.274 -4.679 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.429 -6.763 0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.127 -8.184 -3.274 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -8.852 -8.547 -1.400 1.00 0.00 H new ATOM 648 N ILE A 319 -5.319 -7.644 1.642 1.00 0.00 N ATOM 649 CA ILE A 319 -4.372 -8.733 1.866 1.00 0.00 C ATOM 650 C ILE A 319 -4.354 -9.651 0.644 1.00 0.00 C ATOM 651 O ILE A 319 -5.354 -9.786 -0.061 1.00 0.00 O ATOM 652 CB ILE A 319 -4.739 -9.479 3.164 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.020 -8.894 4.391 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.358 -10.962 3.106 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.333 -7.423 4.645 1.00 0.00 C ATOM 0 H ILE A 319 -6.286 -7.950 1.536 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.363 -8.342 1.994 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.819 -9.362 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -4.297 -9.472 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -2.944 -9.009 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.636 -11.446 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.884 -11.441 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -3.283 -11.056 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -3.789 -7.082 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -4.030 -6.832 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -5.404 -7.302 4.810 1.00 0.00 H new ATOM 667 N GLU A 320 -3.203 -10.285 0.399 1.00 0.00 N ATOM 668 CA GLU A 320 -2.987 -11.158 -0.740 1.00 0.00 C ATOM 669 C GLU A 320 -2.213 -12.412 -0.319 1.00 0.00 C ATOM 670 O GLU A 320 -1.524 -12.418 0.701 1.00 0.00 O ATOM 671 CB GLU A 320 -2.223 -10.336 -1.780 1.00 0.00 C ATOM 672 CG GLU A 320 -1.941 -11.097 -3.073 1.00 0.00 C ATOM 673 CD GLU A 320 -3.230 -11.496 -3.787 1.00 0.00 C ATOM 674 OE1 GLU A 320 -3.787 -12.557 -3.427 1.00 0.00 O ATOM 675 OE2 GLU A 320 -3.651 -10.737 -4.689 1.00 0.00 O ATOM 0 H GLU A 320 -2.385 -10.199 1.003 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.929 -11.511 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -2.796 -9.439 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.278 -10.007 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -1.335 -10.478 -3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -1.358 -11.990 -2.850 1.00 0.00 H new ATOM 817 N ALA A 331 0.422 -8.090 1.512 1.00 0.00 N ATOM 818 CA ALA A 331 -0.611 -7.078 1.598 1.00 0.00 C ATOM 819 C ALA A 331 -0.331 -5.909 0.661 1.00 0.00 C ATOM 820 O ALA A 331 0.765 -5.757 0.125 1.00 0.00 O ATOM 821 CB ALA A 331 -0.696 -6.584 3.043 1.00 0.00 C ATOM 0 HA ALA A 331 -1.560 -7.519 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.471 -5.821 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.941 -7.419 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.263 -6.159 3.339 1.00 0.00 H new ATOM 827 N ASP A 332 -1.359 -5.084 0.476 1.00 0.00 N ATOM 828 CA ASP A 332 -1.286 -3.849 -0.282 1.00 0.00 C ATOM 829 C ASP A 332 -2.187 -2.820 0.386 1.00 0.00 C ATOM 830 O ASP A 332 -2.970 -3.149 1.277 1.00 0.00 O ATOM 831 CB ASP A 332 -1.746 -4.074 -1.726 1.00 0.00 C ATOM 832 CG ASP A 332 -0.967 -5.182 -2.428 1.00 0.00 C ATOM 833 OD1 ASP A 332 0.106 -4.866 -2.986 1.00 0.00 O ATOM 834 OD2 ASP A 332 -1.451 -6.336 -2.402 1.00 0.00 O ATOM 0 H ASP A 332 -2.286 -5.265 0.861 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.255 -3.497 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -2.807 -4.323 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -1.635 -3.146 -2.287 1.00 0.00 H new ATOM 839 N VAL A 333 -2.077 -1.568 -0.049 1.00 0.00 N ATOM 840 CA VAL A 333 -2.911 -0.494 0.455 1.00 0.00 C ATOM 841 C VAL A 333 -3.337 0.404 -0.701 1.00 0.00 C ATOM 842 O VAL A 333 -2.853 0.258 -1.821 1.00 0.00 O ATOM 843 CB VAL A 333 -2.145 0.310 1.513 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.840 -0.527 2.755 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.832 0.837 0.946 1.00 0.00 C ATOM 0 H VAL A 333 -1.407 -1.275 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.803 -0.912 0.922 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.789 1.142 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.297 0.081 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.774 -0.872 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.232 -1.387 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.306 1.404 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.212 -0.000 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.038 1.485 0.094 1.00 0.00 H new ATOM 855 N GLU A 334 -4.250 1.335 -0.419 1.00 0.00 N ATOM 856 CA GLU A 334 -4.774 2.266 -1.404 1.00 0.00 C ATOM 857 C GLU A 334 -4.631 3.678 -0.845 1.00 0.00 C ATOM 858 O GLU A 334 -4.526 3.854 0.366 1.00 0.00 O ATOM 859 CB GLU A 334 -6.232 1.900 -1.703 1.00 0.00 C ATOM 860 CG GLU A 334 -6.812 2.731 -2.848 1.00 0.00 C ATOM 861 CD GLU A 334 -8.243 2.299 -3.164 1.00 0.00 C ATOM 862 OE1 GLU A 334 -8.403 1.200 -3.743 1.00 0.00 O ATOM 863 OE2 GLU A 334 -9.168 3.069 -2.823 1.00 0.00 O ATOM 0 H GLU A 334 -4.647 1.460 0.512 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.224 2.215 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.295 0.842 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.834 2.050 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.798 3.787 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -6.190 2.619 -3.736 1.00 0.00 H new ATOM 870 N PHE A 335 -4.624 4.688 -1.716 1.00 0.00 N ATOM 871 CA PHE A 335 -4.387 6.060 -1.313 1.00 0.00 C ATOM 872 C PHE A 335 -5.228 7.039 -2.114 1.00 0.00 C ATOM 873 O PHE A 335 -5.575 6.791 -3.269 1.00 0.00 O ATOM 874 CB PHE A 335 -2.915 6.402 -1.542 1.00 0.00 C ATOM 875 CG PHE A 335 -1.985 5.873 -0.481 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.767 6.634 0.673 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.342 4.640 -0.642 1.00 0.00 C ATOM 878 CE1 PHE A 335 -0.899 6.170 1.670 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.474 4.177 0.356 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.254 4.939 1.510 1.00 0.00 C ATOM 0 H PHE A 335 -4.783 4.570 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.658 6.146 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.608 6.005 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.809 7.486 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.270 7.582 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -1.514 4.049 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.729 6.760 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.028 3.228 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.414 4.576 2.277 1.00 0.00 H new ATOM 890 N ALA A 336 -5.542 8.159 -1.462 1.00 0.00 N ATOM 891 CA ALA A 336 -6.184 9.297 -2.083 1.00 0.00 C ATOM 892 C ALA A 336 -5.100 10.128 -2.772 1.00 0.00 C ATOM 893 O ALA A 336 -4.443 10.954 -2.137 1.00 0.00 O ATOM 894 CB ALA A 336 -6.931 10.092 -1.009 1.00 0.00 C ATOM 0 H ALA A 336 -5.350 8.294 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.915 8.993 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.419 10.953 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.682 9.455 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.225 10.435 -0.253 1.00 0.00 H new ATOM 900 N THR A 337 -4.928 9.894 -4.078 1.00 0.00 N ATOM 901 CA THR A 337 -3.938 10.539 -4.936 1.00 0.00 C ATOM 902 C THR A 337 -2.513 10.167 -4.548 1.00 0.00 C ATOM 903 O THR A 337 -2.261 9.613 -3.479 1.00 0.00 O ATOM 904 CB THR A 337 -4.109 12.062 -5.012 1.00 0.00 C ATOM 905 OG1 THR A 337 -3.685 12.692 -3.826 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.555 12.451 -5.310 1.00 0.00 C ATOM 0 H THR A 337 -5.502 9.220 -4.584 1.00 0.00 H new ATOM 0 HA THR A 337 -4.123 10.152 -5.938 1.00 0.00 H new ATOM 0 HB THR A 337 -3.479 12.404 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.660 12.036 -3.098 1.00 0.00 H new ATOM 0 HG21 THR A 337 -5.637 13.537 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 337 -5.857 12.023 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.204 12.071 -4.521 1.00 0.00 H new ATOM 914 N HIS A 338 -1.570 10.479 -5.438 1.00 0.00 N ATOM 915 CA HIS A 338 -0.163 10.213 -5.203 1.00 0.00 C ATOM 916 C HIS A 338 0.371 11.086 -4.066 1.00 0.00 C ATOM 917 O HIS A 338 1.416 10.787 -3.496 1.00 0.00 O ATOM 918 CB HIS A 338 0.593 10.483 -6.504 1.00 0.00 C ATOM 919 CG HIS A 338 2.045 10.098 -6.460 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.554 8.822 -6.371 1.00 0.00 N ATOM 921 CD2 HIS A 338 3.107 10.958 -6.505 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.895 8.919 -6.374 1.00 0.00 C ATOM 923 NE2 HIS A 338 4.285 10.203 -6.455 1.00 0.00 N ATOM 0 H HIS A 338 -1.766 10.921 -6.336 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.022 9.175 -4.902 1.00 0.00 H new ATOM 0 HB2 HIS A 338 0.108 9.938 -7.314 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.516 11.544 -6.743 1.00 0.00 H new ATOM 0 HD1 HIS A 338 2.012 7.960 -6.313 1.00 0.00 H new ATOM 0 HD2 HIS A 338 3.047 12.034 -6.568 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.569 8.077 -6.319 1.00 0.00 H new ATOM 931 N GLU A 339 -0.341 12.165 -3.730 1.00 0.00 N ATOM 932 CA GLU A 339 0.078 13.081 -2.678 1.00 0.00 C ATOM 933 C GLU A 339 -0.065 12.440 -1.303 1.00 0.00 C ATOM 934 O GLU A 339 0.805 12.608 -0.450 1.00 0.00 O ATOM 935 CB GLU A 339 -0.771 14.348 -2.751 1.00 0.00 C ATOM 936 CG GLU A 339 -0.457 15.083 -4.052 1.00 0.00 C ATOM 937 CD GLU A 339 -1.244 16.388 -4.155 1.00 0.00 C ATOM 938 OE1 GLU A 339 -0.869 17.346 -3.444 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.216 16.421 -4.943 1.00 0.00 O ATOM 0 H GLU A 339 -1.219 12.423 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 339 1.129 13.327 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -1.830 14.094 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -0.562 14.991 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.611 15.295 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -0.697 14.443 -4.901 1.00 0.00 H new ATOM 946 N GLU A 340 -1.154 11.704 -1.073 1.00 0.00 N ATOM 947 CA GLU A 340 -1.294 10.962 0.171 1.00 0.00 C ATOM 948 C GLU A 340 -0.343 9.762 0.155 1.00 0.00 C ATOM 949 O GLU A 340 0.141 9.329 1.202 1.00 0.00 O ATOM 950 CB GLU A 340 -2.749 10.517 0.324 1.00 0.00 C ATOM 951 CG GLU A 340 -3.017 10.031 1.746 1.00 0.00 C ATOM 952 CD GLU A 340 -4.440 9.503 1.889 1.00 0.00 C ATOM 953 OE1 GLU A 340 -4.646 8.318 1.542 1.00 0.00 O ATOM 954 OE2 GLU A 340 -5.307 10.282 2.342 1.00 0.00 O ATOM 0 H GLU A 340 -1.936 11.609 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.033 11.591 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.415 11.346 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.967 9.719 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -2.307 9.245 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -2.857 10.849 2.449 1.00 0.00 H new ATOM 961 N ALA A 341 -0.067 9.213 -1.035 1.00 0.00 N ATOM 962 CA ALA A 341 0.817 8.063 -1.150 1.00 0.00 C ATOM 963 C ALA A 341 2.241 8.420 -0.722 1.00 0.00 C ATOM 964 O ALA A 341 2.887 7.641 -0.023 1.00 0.00 O ATOM 965 CB ALA A 341 0.785 7.537 -2.586 1.00 0.00 C ATOM 0 H ALA A 341 -0.444 9.549 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 341 0.467 7.277 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.447 6.675 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.232 7.240 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.117 8.320 -3.268 1.00 0.00 H new ATOM 971 N VAL A 342 2.746 9.592 -1.129 1.00 0.00 N ATOM 972 CA VAL A 342 4.074 10.021 -0.705 1.00 0.00 C ATOM 973 C VAL A 342 4.049 10.513 0.739 1.00 0.00 C ATOM 974 O VAL A 342 5.097 10.574 1.381 1.00 0.00 O ATOM 975 CB VAL A 342 4.642 11.106 -1.625 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.746 10.582 -3.055 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.787 12.372 -1.601 1.00 0.00 C ATOM 0 H VAL A 342 2.260 10.247 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 342 4.730 9.153 -0.770 1.00 0.00 H new ATOM 0 HB VAL A 342 5.635 11.363 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.151 11.362 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.405 9.714 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.756 10.295 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.223 13.118 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.776 12.135 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.751 12.768 -0.586 1.00 0.00 H new ATOM 987 N ALA A 343 2.868 10.861 1.261 1.00 0.00 N ATOM 988 CA ALA A 343 2.733 11.258 2.653 1.00 0.00 C ATOM 989 C ALA A 343 2.875 10.044 3.575 1.00 0.00 C ATOM 990 O ALA A 343 2.991 10.203 4.788 1.00 0.00 O ATOM 991 CB ALA A 343 1.384 11.945 2.867 1.00 0.00 C ATOM 0 H ALA A 343 1.995 10.873 0.734 1.00 0.00 H new ATOM 0 HA ALA A 343 3.528 11.962 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.288 12.240 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.321 12.829 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.580 11.256 2.609 1.00 0.00 H new ATOM 997 N ALA A 344 2.866 8.835 2.999 1.00 0.00 N ATOM 998 CA ALA A 344 3.118 7.608 3.740 1.00 0.00 C ATOM 999 C ALA A 344 4.406 6.920 3.282 1.00 0.00 C ATOM 1000 O ALA A 344 4.833 5.943 3.898 1.00 0.00 O ATOM 1001 CB ALA A 344 1.925 6.674 3.573 1.00 0.00 C ATOM 0 H ALA A 344 2.683 8.688 2.006 1.00 0.00 H new ATOM 0 HA ALA A 344 3.249 7.859 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 344 2.105 5.752 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 344 1.027 7.158 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.788 6.444 2.516 1.00 0.00 H new ATOM 1007 N MET A 345 5.032 7.418 2.210 1.00 0.00 N ATOM 1008 CA MET A 345 6.305 6.907 1.715 1.00 0.00 C ATOM 1009 C MET A 345 7.460 7.414 2.586 1.00 0.00 C ATOM 1010 O MET A 345 8.429 7.985 2.086 1.00 0.00 O ATOM 1011 CB MET A 345 6.478 7.315 0.247 1.00 0.00 C ATOM 1012 CG MET A 345 7.649 6.595 -0.431 1.00 0.00 C ATOM 1013 SD MET A 345 7.246 5.038 -1.274 1.00 0.00 S ATOM 1014 CE MET A 345 6.597 4.049 0.095 1.00 0.00 C ATOM 0 H MET A 345 4.662 8.194 1.660 1.00 0.00 H new ATOM 0 HA MET A 345 6.313 5.819 1.772 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.559 7.098 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.636 8.392 0.189 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.095 7.274 -1.158 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.409 6.391 0.323 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.525 3.006 -0.212 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.266 4.130 0.952 1.00 0.00 H new ATOM 0 HE3 MET A 345 5.608 4.415 0.371 1.00 0.00 H new ATOM 1024 N SER A 346 7.354 7.205 3.901 1.00 0.00 N ATOM 1025 CA SER A 346 8.340 7.664 4.873 1.00 0.00 C ATOM 1026 C SER A 346 8.678 6.553 5.866 1.00 0.00 C ATOM 1027 O SER A 346 9.234 6.817 6.932 1.00 0.00 O ATOM 1028 CB SER A 346 7.805 8.900 5.601 1.00 0.00 C ATOM 1029 OG SER A 346 7.489 9.919 4.673 1.00 0.00 O ATOM 0 H SER A 346 6.570 6.706 4.322 1.00 0.00 H new ATOM 0 HA SER A 346 9.258 7.932 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.918 8.636 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 346 8.549 9.263 6.310 1.00 0.00 H new ATOM 0 HG SER A 346 7.147 10.703 5.152 1.00 0.00 H new ATOM 1035 N LYS A 347 8.341 5.309 5.509 1.00 0.00 N ATOM 1036 CA LYS A 347 8.572 4.122 6.326 1.00 0.00 C ATOM 1037 C LYS A 347 8.947 2.945 5.425 1.00 0.00 C ATOM 1038 O LYS A 347 8.765 1.795 5.814 1.00 0.00 O ATOM 1039 CB LYS A 347 7.308 3.791 7.132 1.00 0.00 C ATOM 1040 CG LYS A 347 6.978 4.845 8.193 1.00 0.00 C ATOM 1041 CD LYS A 347 8.046 4.876 9.290 1.00 0.00 C ATOM 1042 CE LYS A 347 7.699 5.918 10.355 1.00 0.00 C ATOM 1043 NZ LYS A 347 7.710 7.284 9.797 1.00 0.00 N ATOM 0 H LYS A 347 7.888 5.099 4.619 1.00 0.00 H new ATOM 0 HA LYS A 347 9.391 4.313 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.464 3.695 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.437 2.824 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.905 5.826 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 347 6.005 4.629 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.129 3.892 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 347 9.017 5.106 8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.715 5.701 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 347 8.413 5.853 11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.228 7.917 10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 8.177 7.276 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.733 7.623 9.690 1.00 0.00 H new ATOM 1057 N ASP A 348 9.467 3.246 4.228 1.00 0.00 N ATOM 1058 CA ASP A 348 9.730 2.298 3.148 1.00 0.00 C ATOM 1059 C ASP A 348 10.191 0.918 3.614 1.00 0.00 C ATOM 1060 O ASP A 348 9.760 -0.080 3.044 1.00 0.00 O ATOM 1061 CB ASP A 348 10.714 2.925 2.159 1.00 0.00 C ATOM 1062 CG ASP A 348 12.060 3.224 2.808 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.173 4.296 3.442 1.00 0.00 O ATOM 1064 OD2 ASP A 348 12.967 2.375 2.664 1.00 0.00 O ATOM 0 H ASP A 348 9.726 4.201 3.979 1.00 0.00 H new ATOM 0 HA ASP A 348 8.778 2.104 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 348 10.860 2.251 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.290 3.847 1.761 1.00 0.00 H new ATOM 1069 N ARG A 349 11.052 0.834 4.633 1.00 0.00 N ATOM 1070 CA ARG A 349 11.449 -0.458 5.178 1.00 0.00 C ATOM 1071 C ARG A 349 11.795 -0.334 6.666 1.00 0.00 C ATOM 1072 O ARG A 349 12.683 -1.016 7.173 1.00 0.00 O ATOM 1073 CB ARG A 349 12.528 -1.096 4.305 1.00 0.00 C ATOM 1074 CG ARG A 349 13.861 -0.357 4.322 1.00 0.00 C ATOM 1075 CD ARG A 349 14.449 -0.545 2.928 1.00 0.00 C ATOM 1076 NE ARG A 349 15.885 -0.240 2.888 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.414 0.985 2.903 1.00 0.00 C ATOM 1078 NH1 ARG A 349 15.644 2.070 2.931 1.00 0.00 N ATOM 1079 NH2 ARG A 349 17.737 1.131 2.889 1.00 0.00 N ATOM 0 H ARG A 349 11.481 1.639 5.090 1.00 0.00 H new ATOM 0 HA ARG A 349 10.612 -1.156 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 349 12.689 -2.122 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.166 -1.147 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.721 0.700 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.525 -0.762 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.288 -1.573 2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 349 13.922 0.098 2.223 1.00 0.00 H new ATOM 0 HE ARG A 349 16.530 -1.029 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 349 14.629 1.975 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 349 16.069 2.997 2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.341 0.309 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.147 2.065 2.900 1.00 0.00 H new ATOM 1093 N ALA A 350 11.077 0.554 7.359 1.00 0.00 N ATOM 1094 CA ALA A 350 11.261 0.840 8.775 1.00 0.00 C ATOM 1095 C ALA A 350 10.768 -0.301 9.671 1.00 0.00 C ATOM 1096 O ALA A 350 10.101 -1.226 9.215 1.00 0.00 O ATOM 1097 CB ALA A 350 10.477 2.112 9.099 1.00 0.00 C ATOM 0 H ALA A 350 10.332 1.106 6.934 1.00 0.00 H new ATOM 0 HA ALA A 350 12.327 0.961 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.595 2.353 10.155 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.855 2.936 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.421 1.955 8.879 1.00 0.00 H new ATOM 1103 N ASN A 351 11.101 -0.230 10.964 1.00 0.00 N ATOM 1104 CA ASN A 351 10.616 -1.182 11.955 1.00 0.00 C ATOM 1105 C ASN A 351 9.108 -0.994 12.167 1.00 0.00 C ATOM 1106 O ASN A 351 8.542 0.017 11.753 1.00 0.00 O ATOM 1107 CB ASN A 351 11.394 -0.967 13.258 1.00 0.00 C ATOM 1108 CG ASN A 351 11.053 -1.997 14.331 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.668 -3.124 14.034 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.194 -1.612 15.596 1.00 0.00 N ATOM 0 H ASN A 351 11.714 0.490 11.347 1.00 0.00 H new ATOM 0 HA ASN A 351 10.775 -2.204 11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 351 12.463 -1.009 13.048 1.00 0.00 H new ATOM 0 HB3 ASN A 351 11.183 0.032 13.640 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.980 -2.261 16.353 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.516 -0.668 15.809 1.00 0.00 H new ATOM 1117 N MET A 352 8.455 -1.965 12.814 1.00 0.00 N ATOM 1118 CA MET A 352 7.025 -1.903 13.082 1.00 0.00 C ATOM 1119 C MET A 352 6.675 -2.601 14.397 1.00 0.00 C ATOM 1120 O MET A 352 5.737 -2.191 15.077 1.00 0.00 O ATOM 1121 CB MET A 352 6.288 -2.559 11.916 1.00 0.00 C ATOM 1122 CG MET A 352 4.781 -2.563 12.153 1.00 0.00 C ATOM 1123 SD MET A 352 3.830 -3.157 10.735 1.00 0.00 S ATOM 1124 CE MET A 352 2.189 -3.105 11.486 1.00 0.00 C ATOM 0 H MET A 352 8.906 -2.811 13.163 1.00 0.00 H new ATOM 0 HA MET A 352 6.721 -0.861 13.180 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.513 -2.025 10.993 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.642 -3.582 11.787 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.559 -3.189 13.017 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.457 -1.552 12.400 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.441 -2.928 10.713 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.984 -4.056 11.978 1.00 0.00 H new ATOM 0 HE3 MET A 352 2.150 -2.300 12.220 1.00 0.00 H new ATOM 1134 N GLN A 353 7.421 -3.649 14.757 1.00 0.00 N ATOM 1135 CA GLN A 353 7.234 -4.342 16.027 1.00 0.00 C ATOM 1136 C GLN A 353 8.462 -5.162 16.398 1.00 0.00 C ATOM 1137 O GLN A 353 8.973 -5.036 17.509 1.00 0.00 O ATOM 1138 CB GLN A 353 6.012 -5.257 15.973 1.00 0.00 C ATOM 1139 CG GLN A 353 5.816 -5.969 14.633 1.00 0.00 C ATOM 1140 CD GLN A 353 4.442 -6.618 14.617 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.308 -7.835 14.542 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.404 -5.790 14.690 1.00 0.00 N ATOM 0 H GLN A 353 8.166 -4.036 14.178 1.00 0.00 H new ATOM 0 HA GLN A 353 7.079 -3.579 16.790 1.00 0.00 H new ATOM 0 HB2 GLN A 353 6.099 -6.006 16.760 1.00 0.00 H new ATOM 0 HB3 GLN A 353 5.122 -4.667 16.191 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.907 -5.258 13.812 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.591 -6.722 14.490 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.558 -4.784 14.751 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.454 -6.161 14.685 1.00 0.00 H new ATOM 1151 N HIS A 354 8.936 -6.000 15.471 1.00 0.00 N ATOM 1152 CA HIS A 354 10.084 -6.854 15.727 1.00 0.00 C ATOM 1153 C HIS A 354 10.760 -7.303 14.427 1.00 0.00 C ATOM 1154 O HIS A 354 11.601 -8.201 14.439 1.00 0.00 O ATOM 1155 CB HIS A 354 9.624 -8.039 16.577 1.00 0.00 C ATOM 1156 CG HIS A 354 8.866 -9.088 15.815 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.388 -10.211 15.214 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.518 -9.100 15.596 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.369 -10.884 14.653 1.00 0.00 C ATOM 1160 NE2 HIS A 354 7.204 -10.245 14.857 1.00 0.00 N ATOM 0 H HIS A 354 8.537 -6.100 14.538 1.00 0.00 H new ATOM 0 HA HIS A 354 10.842 -6.293 16.274 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.497 -8.501 17.038 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.995 -7.668 17.386 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.815 -8.353 15.935 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.472 -11.813 14.111 1.00 0.00 H new ATOM 0 HE2 HIS A 354 6.280 -10.536 14.538 1.00 0.00 H new ATOM 1168 N ARG A 355 10.385 -6.673 13.306 1.00 0.00 N ATOM 1169 CA ARG A 355 10.874 -6.986 11.970 1.00 0.00 C ATOM 1170 C ARG A 355 10.948 -5.699 11.158 1.00 0.00 C ATOM 1171 O ARG A 355 10.255 -4.729 11.462 1.00 0.00 O ATOM 1172 CB ARG A 355 9.910 -7.963 11.286 1.00 0.00 C ATOM 1173 CG ARG A 355 10.281 -9.410 11.602 1.00 0.00 C ATOM 1174 CD ARG A 355 9.264 -10.378 10.995 1.00 0.00 C ATOM 1175 NE ARG A 355 9.279 -10.332 9.527 1.00 0.00 N ATOM 1176 CZ ARG A 355 10.151 -11.001 8.765 1.00 0.00 C ATOM 1177 NH1 ARG A 355 11.082 -11.781 9.306 1.00 0.00 N ATOM 1178 NH2 ARG A 355 10.100 -10.894 7.440 1.00 0.00 N ATOM 0 H ARG A 355 9.711 -5.908 13.311 1.00 0.00 H new ATOM 0 HA ARG A 355 11.862 -7.442 12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 355 8.890 -7.765 11.617 1.00 0.00 H new ATOM 0 HB3 ARG A 355 9.932 -7.806 10.208 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.275 -9.628 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 355 10.324 -9.551 12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 355 9.482 -11.392 11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 355 8.266 -10.131 11.357 1.00 0.00 H new ATOM 0 HE ARG A 355 8.581 -9.754 9.060 1.00 0.00 H new ATOM 0 HH11 ARG A 355 11.140 -11.878 10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 355 11.738 -12.283 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 355 9.395 -10.301 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 355 10.766 -11.405 6.861 1.00 0.00 H new ATOM 1192 N TYR A 356 11.789 -5.692 10.122 1.00 0.00 N ATOM 1193 CA TYR A 356 11.951 -4.533 9.260 1.00 0.00 C ATOM 1194 C TYR A 356 10.840 -4.521 8.204 1.00 0.00 C ATOM 1195 O TYR A 356 11.084 -4.687 7.012 1.00 0.00 O ATOM 1196 CB TYR A 356 13.400 -4.442 8.738 1.00 0.00 C ATOM 1197 CG TYR A 356 13.743 -4.984 7.363 1.00 0.00 C ATOM 1198 CD1 TYR A 356 13.626 -4.130 6.257 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.184 -6.305 7.173 1.00 0.00 C ATOM 1200 CE1 TYR A 356 13.927 -4.581 4.967 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.496 -6.763 5.884 1.00 0.00 C ATOM 1202 CZ TYR A 356 14.367 -5.902 4.775 1.00 0.00 C ATOM 1203 OH TYR A 356 14.664 -6.328 3.517 1.00 0.00 O ATOM 0 H TYR A 356 12.372 -6.488 9.863 1.00 0.00 H new ATOM 0 HA TYR A 356 11.820 -3.603 9.813 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.685 -3.390 8.753 1.00 0.00 H new ATOM 0 HB3 TYR A 356 14.037 -4.955 9.458 1.00 0.00 H new ATOM 0 HD1 TYR A 356 13.299 -3.111 6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.283 -6.968 8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 356 13.822 -3.917 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.836 -7.778 5.741 1.00 0.00 H new ATOM 0 HH TYR A 356 14.955 -7.263 3.549 1.00 0.00 H new ATOM 1213 N ILE A 357 9.592 -4.323 8.643 1.00 0.00 N ATOM 1214 CA ILE A 357 8.449 -4.309 7.740 1.00 0.00 C ATOM 1215 C ILE A 357 8.712 -3.307 6.620 1.00 0.00 C ATOM 1216 O ILE A 357 9.445 -2.338 6.803 1.00 0.00 O ATOM 1217 CB ILE A 357 7.167 -3.975 8.514 1.00 0.00 C ATOM 1218 CG1 ILE A 357 6.508 -5.217 9.122 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.118 -3.387 7.579 1.00 0.00 C ATOM 1220 CD1 ILE A 357 7.421 -5.973 10.078 1.00 0.00 C ATOM 0 H ILE A 357 9.353 -4.170 9.623 1.00 0.00 H new ATOM 0 HA ILE A 357 8.311 -5.295 7.295 1.00 0.00 H new ATOM 0 HB ILE A 357 7.474 -3.279 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 357 5.604 -4.918 9.653 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.199 -5.886 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.215 -3.156 8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.505 -2.475 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.882 -4.109 6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.894 -6.841 10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 357 8.314 -6.301 9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.710 -5.318 10.900 1.00 0.00 H new ATOM 1232 N GLU A 358 8.114 -3.531 5.452 1.00 0.00 N ATOM 1233 CA GLU A 358 8.416 -2.707 4.301 1.00 0.00 C ATOM 1234 C GLU A 358 7.195 -2.502 3.415 1.00 0.00 C ATOM 1235 O GLU A 358 6.269 -3.314 3.408 1.00 0.00 O ATOM 1236 CB GLU A 358 9.603 -3.343 3.565 1.00 0.00 C ATOM 1237 CG GLU A 358 9.379 -4.801 3.141 1.00 0.00 C ATOM 1238 CD GLU A 358 8.795 -4.959 1.734 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.119 -4.021 1.255 1.00 0.00 O ATOM 1240 OE2 GLU A 358 9.034 -6.034 1.141 1.00 0.00 O ATOM 0 H GLU A 358 7.428 -4.267 5.286 1.00 0.00 H new ATOM 0 HA GLU A 358 8.697 -1.702 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.825 -2.750 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.481 -3.295 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 358 10.329 -5.333 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.709 -5.278 3.857 1.00 0.00 H new ATOM 1247 N LEU A 359 7.213 -1.395 2.669 1.00 0.00 N ATOM 1248 CA LEU A 359 6.178 -1.033 1.720 1.00 0.00 C ATOM 1249 C LEU A 359 6.818 -0.259 0.568 1.00 0.00 C ATOM 1250 O LEU A 359 7.711 0.558 0.783 1.00 0.00 O ATOM 1251 CB LEU A 359 5.013 -0.305 2.420 1.00 0.00 C ATOM 1252 CG LEU A 359 5.259 0.983 3.231 1.00 0.00 C ATOM 1253 CD1 LEU A 359 6.381 0.877 4.256 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.529 2.199 2.355 1.00 0.00 C ATOM 0 H LEU A 359 7.971 -0.714 2.715 1.00 0.00 H new ATOM 0 HA LEU A 359 5.718 -1.922 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.278 -0.064 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.546 -1.023 3.094 1.00 0.00 H new ATOM 0 HG LEU A 359 4.318 1.116 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.486 1.827 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.146 0.090 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.316 0.638 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.694 3.072 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.415 2.019 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.672 2.377 1.706 1.00 0.00 H new ATOM 1266 N PHE A 360 6.364 -0.512 -0.662 1.00 0.00 N ATOM 1267 CA PHE A 360 7.049 -0.031 -1.858 1.00 0.00 C ATOM 1268 C PHE A 360 6.020 0.548 -2.829 1.00 0.00 C ATOM 1269 O PHE A 360 4.996 -0.080 -3.098 1.00 0.00 O ATOM 1270 CB PHE A 360 7.834 -1.206 -2.467 1.00 0.00 C ATOM 1271 CG PHE A 360 9.206 -0.870 -3.025 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.353 0.115 -4.014 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.349 -1.544 -2.560 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.622 0.421 -4.528 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.609 -1.235 -3.066 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.755 -0.255 -4.054 1.00 0.00 C ATOM 0 H PHE A 360 5.519 -1.051 -0.853 1.00 0.00 H new ATOM 0 HA PHE A 360 7.754 0.766 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 360 7.952 -1.974 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.235 -1.642 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.484 0.641 -4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.249 -2.308 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.726 1.179 -5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.479 -1.755 -2.693 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.733 -0.021 -4.448 1.00 0.00 H new ATOM 1286 N LEU A 361 6.298 1.749 -3.349 1.00 0.00 N ATOM 1287 CA LEU A 361 5.360 2.531 -4.148 1.00 0.00 C ATOM 1288 C LEU A 361 4.771 1.731 -5.312 1.00 0.00 C ATOM 1289 O LEU A 361 5.468 0.947 -5.955 1.00 0.00 O ATOM 1290 CB LEU A 361 6.082 3.792 -4.646 1.00 0.00 C ATOM 1291 CG LEU A 361 5.319 5.077 -4.305 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.152 6.287 -4.721 1.00 0.00 C ATOM 1293 CD2 LEU A 361 3.976 5.147 -5.023 1.00 0.00 C ATOM 0 H LEU A 361 7.199 2.209 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 361 4.512 2.808 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.077 3.836 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.216 3.728 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 361 5.138 5.077 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.611 7.202 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.102 6.276 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.339 6.249 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.467 6.073 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.138 5.122 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.361 4.297 -4.728 1.00 0.00 H new ATOM 1305 N ASN A 362 3.477 1.940 -5.578 1.00 0.00 N ATOM 1306 CA ASN A 362 2.745 1.308 -6.660 1.00 0.00 C ATOM 1307 C ASN A 362 1.713 2.305 -7.206 1.00 0.00 C ATOM 1308 O ASN A 362 0.541 1.984 -7.408 1.00 0.00 O ATOM 1309 CB ASN A 362 2.108 0.026 -6.129 1.00 0.00 C ATOM 1310 CG ASN A 362 1.321 -0.698 -7.204 1.00 0.00 C ATOM 1311 OD1 ASN A 362 1.731 -0.768 -8.359 1.00 0.00 O ATOM 1312 ND2 ASN A 362 0.173 -1.243 -6.820 1.00 0.00 N ATOM 0 H ASN A 362 2.901 2.574 -5.025 1.00 0.00 H new ATOM 0 HA ASN A 362 3.400 1.033 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 362 2.885 -0.633 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.449 0.266 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 362 -0.405 -1.743 -7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 362 -0.131 -1.161 -5.850 1.00 0.00 H new ATOM 1319 N SER A 363 2.167 3.538 -7.447 1.00 0.00 N ATOM 1320 CA SER A 363 1.349 4.584 -8.039 1.00 0.00 C ATOM 1321 C SER A 363 2.230 5.678 -8.632 1.00 0.00 C ATOM 1322 O SER A 363 3.457 5.625 -8.533 1.00 0.00 O ATOM 1323 CB SER A 363 0.425 5.182 -6.977 1.00 0.00 C ATOM 1324 OG SER A 363 1.160 5.969 -6.060 1.00 0.00 O ATOM 0 H SER A 363 3.119 3.834 -7.233 1.00 0.00 H new ATOM 0 HA SER A 363 0.748 4.148 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 363 -0.340 5.793 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 363 -0.091 4.383 -6.445 1.00 0.00 H new ATOM 0 HG SER A 363 0.551 6.344 -5.390 1.00 0.00 H new ATOM 1330 N THR A 364 1.596 6.675 -9.250 1.00 0.00 N ATOM 1331 CA THR A 364 2.272 7.846 -9.786 1.00 0.00 C ATOM 1332 C THR A 364 1.304 9.022 -9.746 1.00 0.00 C ATOM 1333 O THR A 364 0.099 8.820 -9.596 1.00 0.00 O ATOM 1334 CB THR A 364 2.762 7.569 -11.208 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.519 8.665 -11.672 1.00 0.00 O ATOM 1336 CG2 THR A 364 1.580 7.341 -12.143 1.00 0.00 C ATOM 0 H THR A 364 0.586 6.688 -9.392 1.00 0.00 H new ATOM 0 HA THR A 364 3.148 8.087 -9.185 1.00 0.00 H new ATOM 0 HB THR A 364 3.382 6.673 -11.194 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.833 8.484 -12.583 1.00 0.00 H new ATOM 0 HG21 THR A 364 1.946 7.145 -13.151 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.000 6.486 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 364 0.947 8.229 -12.153 1.00 0.00 H new ATOM 1344 N THR A 365 1.815 10.248 -9.881 1.00 0.00 N ATOM 1345 CA THR A 365 0.977 11.438 -9.881 1.00 0.00 C ATOM 1346 C THR A 365 -0.086 11.333 -10.974 1.00 0.00 C ATOM 1347 O THR A 365 0.170 10.819 -12.062 1.00 0.00 O ATOM 1348 CB THR A 365 1.838 12.695 -10.013 1.00 0.00 C ATOM 1349 OG1 THR A 365 1.016 13.820 -10.231 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.834 12.564 -11.160 1.00 0.00 C ATOM 0 H THR A 365 2.811 10.438 -9.992 1.00 0.00 H new ATOM 0 HA THR A 365 0.451 11.514 -8.929 1.00 0.00 H new ATOM 0 HB THR A 365 2.395 12.820 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 365 1.574 14.622 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 365 3.432 13.473 -11.229 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.489 11.712 -10.978 1.00 0.00 H new ATOM 0 HG23 THR A 365 2.294 12.413 -12.095 1.00 0.00 H new