USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=18 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 353 GLN : amide:sc= -0.0164 X(o=-0.17,f=-0.13) USER MOD Set 1.2: A 354 HIS : no HD1:sc= -0.154 X(o=-0.17,f=-0.13) USER MOD Set 2.1: A 346 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 347 LYS NZ :NH3+ -156:sc= 0.492 (180deg=-0.0105) USER MOD Set 3.1: A 301 THR OG1 : rot 69:sc= 0.692 USER MOD Set 3.2: A 303 ASN :FLIP amide:sc= 0.621 F(o=-1.3,f=1.3) USER MOD Set 4.1: A 289 HIS : no HE2:sc= -1.92 K(o=-0.55,f=-2.1!) USER MOD Set 4.2: A 338 HIS : no HD1:sc= 0.571 K(o=-0.55,f=-4.8) USER MOD Set 4.3: A 363 SER OG : rot -105:sc= 0.794 USER MOD Single : A 290 CYS SG : rot 180:sc= -0.619 USER MOD Single : A 292 HIS : no HE2:sc= 0.254 K(o=0.25,f=-3.1!) USER MOD Single : A 293 MET CE :methyl 159:sc= -0.105 (180deg=-0.603) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.063) USER MOD Single : A 310 SER OG : rot -126:sc= -0.799 USER MOD Single : A 313 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.22) USER MOD Single : A 318 HIS : no HE2:sc= 0.186 K(o=0.19,f=-3.2!) USER MOD Single : A 337 THR OG1 : rot -11:sc= 1.04 USER MOD Single : A 345 MET CE :methyl -179:sc= -0.733 (180deg=-0.74) USER MOD Single : A 351 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.64) USER MOD Single : A 352 MET CE :methyl 147:sc= -1.07 (180deg=-2.76) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.62) USER MOD Single : A 364 THR OG1 : rot -46:sc= 0.511 USER MOD Single : A 365 THR OG1 : rot -42:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.460 5.569 -6.610 1.00 0.00 N ATOM 160 CA HIS A 289 -3.048 5.620 -6.271 1.00 0.00 C ATOM 161 C HIS A 289 -2.731 4.420 -5.383 1.00 0.00 C ATOM 162 O HIS A 289 -3.525 4.102 -4.500 1.00 0.00 O ATOM 163 CB HIS A 289 -2.788 6.968 -5.598 1.00 0.00 C ATOM 164 CG HIS A 289 -3.174 8.097 -6.517 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.328 8.822 -7.323 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.436 8.589 -6.715 1.00 0.00 C ATOM 167 CE1 HIS A 289 -3.069 9.721 -7.993 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.365 9.621 -7.655 1.00 0.00 N ATOM 0 HA HIS A 289 -2.393 5.554 -7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.357 7.035 -4.671 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.734 7.051 -5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -1.318 8.699 -7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.334 8.239 -6.228 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.675 10.429 -8.707 1.00 0.00 H new ATOM 176 N CYS A 290 -1.593 3.745 -5.595 1.00 0.00 N ATOM 177 CA CYS A 290 -1.334 2.504 -4.879 1.00 0.00 C ATOM 178 C CYS A 290 0.110 2.379 -4.406 1.00 0.00 C ATOM 179 O CYS A 290 0.993 3.122 -4.829 1.00 0.00 O ATOM 180 CB CYS A 290 -1.673 1.323 -5.793 1.00 0.00 C ATOM 181 SG CYS A 290 -3.431 1.334 -6.226 1.00 0.00 S ATOM 0 H CYS A 290 -0.858 4.034 -6.241 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.961 2.505 -3.988 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.070 1.373 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.422 0.387 -5.294 1.00 0.00 H new ATOM 0 HG CYS A 290 -3.693 0.325 -7.003 1.00 0.00 H new ATOM 187 N VAL A 291 0.318 1.412 -3.510 1.00 0.00 N ATOM 188 CA VAL A 291 1.605 1.025 -2.945 1.00 0.00 C ATOM 189 C VAL A 291 1.463 -0.440 -2.527 1.00 0.00 C ATOM 190 O VAL A 291 0.343 -0.935 -2.397 1.00 0.00 O ATOM 191 CB VAL A 291 1.928 1.913 -1.729 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.268 1.558 -1.089 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.997 3.396 -2.099 1.00 0.00 C ATOM 0 H VAL A 291 -0.450 0.850 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 291 2.417 1.147 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 291 1.113 1.730 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.449 2.213 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.247 0.521 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.066 1.686 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.227 3.983 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.776 3.549 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.037 3.715 -2.505 1.00 0.00 H new ATOM 203 N HIS A 292 2.571 -1.151 -2.313 1.00 0.00 N ATOM 204 CA HIS A 292 2.531 -2.533 -1.853 1.00 0.00 C ATOM 205 C HIS A 292 3.395 -2.672 -0.610 1.00 0.00 C ATOM 206 O HIS A 292 4.292 -1.859 -0.399 1.00 0.00 O ATOM 207 CB HIS A 292 3.023 -3.466 -2.962 1.00 0.00 C ATOM 208 CG HIS A 292 2.229 -3.379 -4.240 1.00 0.00 C ATOM 209 ND1 HIS A 292 0.965 -2.857 -4.391 1.00 0.00 N ATOM 210 CD2 HIS A 292 2.635 -3.810 -5.474 1.00 0.00 C ATOM 211 CE1 HIS A 292 0.624 -2.974 -5.685 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.612 -3.550 -6.393 1.00 0.00 N ATOM 0 H HIS A 292 3.513 -0.785 -2.453 1.00 0.00 H new ATOM 0 HA HIS A 292 1.506 -2.809 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.066 -3.236 -3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.993 -4.493 -2.598 1.00 0.00 H new ATOM 0 HD1 HIS A 292 0.389 -2.453 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.584 -4.273 -5.700 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.318 -2.649 -6.101 1.00 0.00 H new ATOM 220 N MET A 293 3.138 -3.692 0.214 1.00 0.00 N ATOM 221 CA MET A 293 3.883 -3.860 1.451 1.00 0.00 C ATOM 222 C MET A 293 3.957 -5.323 1.876 1.00 0.00 C ATOM 223 O MET A 293 3.095 -6.132 1.533 1.00 0.00 O ATOM 224 CB MET A 293 3.250 -2.977 2.536 1.00 0.00 C ATOM 225 CG MET A 293 1.979 -3.564 3.153 1.00 0.00 C ATOM 226 SD MET A 293 2.245 -4.833 4.426 1.00 0.00 S ATOM 227 CE MET A 293 3.057 -3.840 5.707 1.00 0.00 C ATOM 0 H MET A 293 2.427 -4.403 0.044 1.00 0.00 H new ATOM 0 HA MET A 293 4.914 -3.544 1.293 1.00 0.00 H new ATOM 0 HB2 MET A 293 3.982 -2.810 3.327 1.00 0.00 H new ATOM 0 HB3 MET A 293 3.017 -2.003 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.399 -2.751 3.590 1.00 0.00 H new ATOM 0 HG3 MET A 293 1.374 -3.995 2.355 1.00 0.00 H new ATOM 0 HE1 MET A 293 2.957 -4.338 6.671 1.00 0.00 H new ATOM 0 HE2 MET A 293 4.114 -3.728 5.465 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.589 -2.857 5.756 1.00 0.00 H new ATOM 237 N ARG A 294 5.006 -5.655 2.633 1.00 0.00 N ATOM 238 CA ARG A 294 5.250 -7.000 3.140 1.00 0.00 C ATOM 239 C ARG A 294 6.022 -6.902 4.452 1.00 0.00 C ATOM 240 O ARG A 294 6.324 -5.807 4.924 1.00 0.00 O ATOM 241 CB ARG A 294 6.067 -7.815 2.131 1.00 0.00 C ATOM 242 CG ARG A 294 5.390 -7.950 0.765 1.00 0.00 C ATOM 243 CD ARG A 294 6.269 -8.774 -0.177 1.00 0.00 C ATOM 244 NE ARG A 294 7.562 -8.114 -0.376 1.00 0.00 N ATOM 245 CZ ARG A 294 8.375 -8.293 -1.419 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.074 -9.152 -2.391 1.00 0.00 N ATOM 247 NH2 ARG A 294 9.504 -7.595 -1.478 1.00 0.00 N ATOM 0 H ARG A 294 5.720 -4.982 2.913 1.00 0.00 H new ATOM 0 HA ARG A 294 4.294 -7.499 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 294 7.041 -7.344 2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.246 -8.810 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 294 4.417 -8.428 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 294 5.213 -6.963 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 294 6.422 -9.771 0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 294 5.767 -8.901 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 294 7.867 -7.461 0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 294 7.208 -9.689 -2.347 1.00 0.00 H new ATOM 0 HH12 ARG A 294 8.710 -9.273 -3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 294 9.736 -6.937 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 294 10.139 -7.718 -2.267 1.00 0.00 H new ATOM 261 N GLY A 295 6.342 -8.054 5.043 1.00 0.00 N ATOM 262 CA GLY A 295 7.077 -8.122 6.295 1.00 0.00 C ATOM 263 C GLY A 295 6.173 -8.529 7.448 1.00 0.00 C ATOM 264 O GLY A 295 6.668 -8.930 8.501 1.00 0.00 O ATOM 0 H GLY A 295 6.095 -8.967 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.894 -8.838 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.526 -7.152 6.508 1.00 0.00 H new ATOM 268 N LEU A 296 4.852 -8.429 7.256 1.00 0.00 N ATOM 269 CA LEU A 296 3.899 -8.803 8.284 1.00 0.00 C ATOM 270 C LEU A 296 4.221 -10.206 8.782 1.00 0.00 C ATOM 271 O LEU A 296 4.371 -11.123 7.972 1.00 0.00 O ATOM 272 CB LEU A 296 2.475 -8.785 7.719 1.00 0.00 C ATOM 273 CG LEU A 296 1.974 -7.383 7.369 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.550 -7.505 6.833 1.00 0.00 C ATOM 275 CD2 LEU A 296 1.956 -6.472 8.597 1.00 0.00 C ATOM 0 H LEU A 296 4.427 -8.090 6.393 1.00 0.00 H new ATOM 0 HA LEU A 296 3.966 -8.090 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 296 2.439 -9.408 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 296 1.798 -9.233 8.447 1.00 0.00 H new ATOM 0 HG LEU A 296 2.645 -6.947 6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.172 -6.515 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.549 -8.136 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -0.089 -7.951 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.595 -5.484 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.296 -6.895 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 296 2.965 -6.387 9.002 1.00 0.00 H new ATOM 344 N ALA A 300 -0.020 -11.543 11.688 1.00 0.00 N ATOM 345 CA ALA A 300 -0.435 -10.144 11.699 1.00 0.00 C ATOM 346 C ALA A 300 -1.434 -9.892 10.567 1.00 0.00 C ATOM 347 O ALA A 300 -1.664 -10.773 9.740 1.00 0.00 O ATOM 348 CB ALA A 300 0.801 -9.260 11.548 1.00 0.00 C ATOM 0 HA ALA A 300 -0.927 -9.904 12.642 1.00 0.00 H new ATOM 0 HB1 ALA A 300 0.502 -8.212 11.555 1.00 0.00 H new ATOM 0 HB2 ALA A 300 1.486 -9.447 12.375 1.00 0.00 H new ATOM 0 HB3 ALA A 300 1.299 -9.489 10.606 1.00 0.00 H new ATOM 354 N THR A 301 -2.032 -8.696 10.520 1.00 0.00 N ATOM 355 CA THR A 301 -3.071 -8.394 9.535 1.00 0.00 C ATOM 356 C THR A 301 -3.111 -6.913 9.173 1.00 0.00 C ATOM 357 O THR A 301 -2.332 -6.103 9.672 1.00 0.00 O ATOM 358 CB THR A 301 -4.455 -8.819 10.049 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.469 -8.971 11.451 1.00 0.00 O ATOM 360 CG2 THR A 301 -4.884 -10.132 9.402 1.00 0.00 C ATOM 0 H THR A 301 -1.814 -7.925 11.151 1.00 0.00 H new ATOM 0 HA THR A 301 -2.819 -8.961 8.639 1.00 0.00 H new ATOM 0 HB THR A 301 -5.153 -8.027 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.372 -8.093 11.876 1.00 0.00 H new ATOM 0 HG21 THR A 301 -5.866 -10.419 9.777 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.931 -10.006 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 301 -4.161 -10.911 9.646 1.00 0.00 H new ATOM 368 N GLU A 302 -4.044 -6.562 8.285 1.00 0.00 N ATOM 369 CA GLU A 302 -4.238 -5.196 7.829 1.00 0.00 C ATOM 370 C GLU A 302 -4.447 -4.212 8.978 1.00 0.00 C ATOM 371 O GLU A 302 -4.115 -3.036 8.840 1.00 0.00 O ATOM 372 CB GLU A 302 -5.420 -5.153 6.864 1.00 0.00 C ATOM 373 CG GLU A 302 -6.758 -5.257 7.594 1.00 0.00 C ATOM 374 CD GLU A 302 -7.916 -5.460 6.618 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.944 -6.530 5.970 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.762 -4.544 6.527 1.00 0.00 O ATOM 0 H GLU A 302 -4.689 -7.229 7.862 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.326 -4.882 7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.389 -4.224 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.333 -5.970 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.725 -6.088 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.927 -4.351 8.177 1.00 0.00 H new ATOM 383 N ASN A 303 -4.991 -4.677 10.107 1.00 0.00 N ATOM 384 CA ASN A 303 -5.189 -3.821 11.267 1.00 0.00 C ATOM 385 C ASN A 303 -3.856 -3.291 11.799 1.00 0.00 C ATOM 386 O ASN A 303 -3.844 -2.336 12.573 1.00 0.00 O ATOM 387 CB ASN A 303 -5.955 -4.573 12.358 1.00 0.00 C ATOM 388 CG ASN A 303 -5.005 -5.433 13.170 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.224 -6.251 12.479 1.00 0.00 O flip ATOM 390 ND2 ASN A 303 -4.975 -5.364 14.396 1.00 0.00 N flip ATOM 0 H ASN A 303 -5.300 -5.641 10.236 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.783 -2.961 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.462 -3.863 13.011 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.726 -5.197 11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -5.595 -4.719 14.886 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.330 -5.952 14.924 1.00 0.00 H new ATOM 397 N ASP A 304 -2.739 -3.904 11.389 1.00 0.00 N ATOM 398 CA ASP A 304 -1.406 -3.470 11.746 1.00 0.00 C ATOM 399 C ASP A 304 -0.790 -2.607 10.646 1.00 0.00 C ATOM 400 O ASP A 304 0.032 -1.735 10.931 1.00 0.00 O ATOM 401 CB ASP A 304 -0.551 -4.717 11.977 1.00 0.00 C ATOM 402 CG ASP A 304 -1.082 -5.579 13.121 1.00 0.00 C ATOM 403 OD1 ASP A 304 -1.116 -5.064 14.261 1.00 0.00 O ATOM 404 OD2 ASP A 304 -1.450 -6.742 12.844 1.00 0.00 O ATOM 0 H ASP A 304 -2.749 -4.729 10.790 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.451 -2.861 12.649 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -0.521 -5.309 11.062 1.00 0.00 H new ATOM 0 HB3 ASP A 304 0.474 -4.417 12.196 1.00 0.00 H new ATOM 409 N ILE A 305 -1.184 -2.843 9.392 1.00 0.00 N ATOM 410 CA ILE A 305 -0.669 -2.086 8.259 1.00 0.00 C ATOM 411 C ILE A 305 -1.049 -0.613 8.364 1.00 0.00 C ATOM 412 O ILE A 305 -0.177 0.248 8.449 1.00 0.00 O ATOM 413 CB ILE A 305 -1.267 -2.647 6.973 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.850 -4.101 6.759 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.845 -1.788 5.775 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.515 -4.634 5.492 1.00 0.00 C ATOM 0 H ILE A 305 -1.864 -3.560 9.139 1.00 0.00 H new ATOM 0 HA ILE A 305 0.418 -2.172 8.255 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.353 -2.620 7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.234 -4.172 6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.141 -4.705 7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.278 -2.198 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.199 -0.767 5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.242 -1.788 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.220 -5.672 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.598 -4.577 5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.202 -4.035 4.637 1.00 0.00 H new ATOM 428 N TYR A 306 -2.351 -0.307 8.362 1.00 0.00 N ATOM 429 CA TYR A 306 -2.778 1.083 8.411 1.00 0.00 C ATOM 430 C TYR A 306 -2.623 1.642 9.826 1.00 0.00 C ATOM 431 O TYR A 306 -3.049 2.758 10.115 1.00 0.00 O ATOM 432 CB TYR A 306 -4.182 1.257 7.820 1.00 0.00 C ATOM 433 CG TYR A 306 -5.346 0.773 8.654 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.932 1.653 9.574 1.00 0.00 C ATOM 435 CD2 TYR A 306 -5.850 -0.531 8.509 1.00 0.00 C ATOM 436 CE1 TYR A 306 -7.023 1.246 10.348 1.00 0.00 C ATOM 437 CE2 TYR A 306 -6.928 -0.953 9.300 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.520 -0.067 10.222 1.00 0.00 C ATOM 439 OH TYR A 306 -8.571 -0.481 10.985 1.00 0.00 O ATOM 0 H TYR A 306 -3.107 -0.990 8.328 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.124 1.681 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.332 2.316 7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.213 0.737 6.863 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.538 2.652 9.686 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.408 -1.206 7.791 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.483 1.935 11.040 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.306 -1.960 9.202 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.785 -1.413 10.769 1.00 0.00 H new ATOM 449 N ASN A 307 -2.006 0.849 10.708 1.00 0.00 N ATOM 450 CA ASN A 307 -1.687 1.242 12.067 1.00 0.00 C ATOM 451 C ASN A 307 -0.218 1.664 12.202 1.00 0.00 C ATOM 452 O ASN A 307 0.136 2.300 13.195 1.00 0.00 O ATOM 453 CB ASN A 307 -2.025 0.047 12.958 1.00 0.00 C ATOM 454 CG ASN A 307 -1.091 -0.097 14.146 1.00 0.00 C ATOM 455 OD1 ASN A 307 -1.357 0.409 15.233 1.00 0.00 O ATOM 456 ND2 ASN A 307 0.017 -0.798 13.928 1.00 0.00 N ATOM 0 H ASN A 307 -1.712 -0.102 10.484 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.267 2.115 12.366 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.048 0.149 13.319 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -1.987 -0.865 12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 307 0.690 -0.935 14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 307 0.194 -1.199 13.007 1.00 0.00 H new ATOM 463 N PHE A 308 0.642 1.330 11.230 1.00 0.00 N ATOM 464 CA PHE A 308 2.048 1.725 11.294 1.00 0.00 C ATOM 465 C PHE A 308 2.458 2.624 10.129 1.00 0.00 C ATOM 466 O PHE A 308 3.458 3.333 10.227 1.00 0.00 O ATOM 467 CB PHE A 308 2.944 0.482 11.335 1.00 0.00 C ATOM 468 CG PHE A 308 3.689 0.217 10.039 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.012 -0.286 8.920 1.00 0.00 C ATOM 470 CD2 PHE A 308 5.065 0.485 9.955 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.696 -0.488 7.711 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.751 0.272 8.751 1.00 0.00 C ATOM 473 CZ PHE A 308 5.066 -0.206 7.626 1.00 0.00 C ATOM 0 H PHE A 308 0.389 0.793 10.400 1.00 0.00 H new ATOM 0 HA PHE A 308 2.176 2.303 12.209 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.668 0.595 12.142 1.00 0.00 H new ATOM 0 HB3 PHE A 308 2.332 -0.387 11.575 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.960 -0.519 8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.596 0.856 10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.167 -0.861 6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.810 0.477 8.691 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.593 -0.357 6.695 1.00 0.00 H new ATOM 483 N PHE A 309 1.699 2.602 9.028 1.00 0.00 N ATOM 484 CA PHE A 309 2.049 3.358 7.835 1.00 0.00 C ATOM 485 C PHE A 309 2.103 4.860 8.121 1.00 0.00 C ATOM 486 O PHE A 309 3.126 5.500 7.882 1.00 0.00 O ATOM 487 CB PHE A 309 1.008 3.061 6.748 1.00 0.00 C ATOM 488 CG PHE A 309 1.568 2.598 5.423 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.419 3.435 4.692 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.228 1.332 4.920 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.904 3.021 3.444 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.718 0.915 3.673 1.00 0.00 C ATOM 493 CZ PHE A 309 2.547 1.767 2.931 1.00 0.00 C ATOM 0 H PHE A 309 0.836 2.064 8.945 1.00 0.00 H new ATOM 0 HA PHE A 309 3.041 3.056 7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.326 2.298 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.417 3.961 6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.702 4.399 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.588 0.678 5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.554 3.670 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.457 -0.059 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.911 1.457 1.963 1.00 0.00 H new ATOM 503 N SER A 310 0.992 5.405 8.636 1.00 0.00 N ATOM 504 CA SER A 310 0.775 6.836 8.821 1.00 0.00 C ATOM 505 C SER A 310 -0.459 7.059 9.698 1.00 0.00 C ATOM 506 O SER A 310 -1.214 6.118 9.939 1.00 0.00 O ATOM 507 CB SER A 310 0.490 7.465 7.453 1.00 0.00 C ATOM 508 OG SER A 310 1.634 7.435 6.635 1.00 0.00 O ATOM 0 H SER A 310 0.200 4.841 8.943 1.00 0.00 H new ATOM 0 HA SER A 310 1.655 7.279 9.287 1.00 0.00 H new ATOM 0 HB2 SER A 310 -0.324 6.929 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.160 8.495 7.584 1.00 0.00 H new ATOM 0 HG SER A 310 1.827 8.339 6.310 1.00 0.00 H new ATOM 514 N PRO A 311 -0.684 8.289 10.183 1.00 0.00 N ATOM 515 CA PRO A 311 -1.908 8.662 10.877 1.00 0.00 C ATOM 516 C PRO A 311 -3.105 8.757 9.921 1.00 0.00 C ATOM 517 O PRO A 311 -4.216 9.051 10.360 1.00 0.00 O ATOM 518 CB PRO A 311 -1.600 10.016 11.516 1.00 0.00 C ATOM 519 CG PRO A 311 -0.585 10.628 10.557 1.00 0.00 C ATOM 520 CD PRO A 311 0.227 9.419 10.101 1.00 0.00 C ATOM 0 HA PRO A 311 -2.192 7.913 11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.494 10.633 11.604 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.190 9.904 12.520 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.071 11.127 9.719 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.040 11.371 11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 311 0.595 9.554 9.084 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.099 9.268 10.738 1.00 0.00 H new ATOM 528 N LEU A 312 -2.887 8.511 8.623 1.00 0.00 N ATOM 529 CA LEU A 312 -3.915 8.485 7.598 1.00 0.00 C ATOM 530 C LEU A 312 -5.090 7.572 7.934 1.00 0.00 C ATOM 531 O LEU A 312 -5.030 6.714 8.815 1.00 0.00 O ATOM 532 CB LEU A 312 -3.268 8.008 6.293 1.00 0.00 C ATOM 533 CG LEU A 312 -2.813 9.161 5.398 1.00 0.00 C ATOM 534 CD1 LEU A 312 -2.073 10.264 6.142 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.922 8.607 4.290 1.00 0.00 C ATOM 0 H LEU A 312 -1.955 8.319 8.254 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.322 9.493 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.411 7.377 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.979 7.389 5.746 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.715 9.619 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.783 11.045 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.724 10.687 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -1.181 9.850 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.592 9.422 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.053 8.119 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.483 7.883 3.700 1.00 0.00 H new ATOM 547 N ASN A 313 -6.171 7.794 7.187 1.00 0.00 N ATOM 548 CA ASN A 313 -7.411 7.048 7.251 1.00 0.00 C ATOM 549 C ASN A 313 -7.216 5.624 6.725 1.00 0.00 C ATOM 550 O ASN A 313 -6.261 5.353 5.998 1.00 0.00 O ATOM 551 CB ASN A 313 -8.411 7.832 6.399 1.00 0.00 C ATOM 552 CG ASN A 313 -8.641 9.223 6.962 1.00 0.00 C ATOM 553 OD1 ASN A 313 -8.805 9.402 8.166 1.00 0.00 O ATOM 554 ND2 ASN A 313 -8.655 10.222 6.087 1.00 0.00 N ATOM 0 H ASN A 313 -6.199 8.537 6.489 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.769 6.943 8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.041 7.907 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.357 7.293 6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -8.806 11.179 6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -8.515 10.033 5.095 1.00 0.00 H new ATOM 561 N PRO A 314 -8.119 4.703 7.087 1.00 0.00 N ATOM 562 CA PRO A 314 -8.006 3.278 6.814 1.00 0.00 C ATOM 563 C PRO A 314 -8.367 2.928 5.370 1.00 0.00 C ATOM 564 O PRO A 314 -8.577 1.762 5.042 1.00 0.00 O ATOM 565 CB PRO A 314 -8.957 2.641 7.819 1.00 0.00 C ATOM 566 CG PRO A 314 -10.086 3.660 7.918 1.00 0.00 C ATOM 567 CD PRO A 314 -9.337 4.990 7.821 1.00 0.00 C ATOM 0 HA PRO A 314 -6.983 2.916 6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.318 1.672 7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.475 2.478 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -10.811 3.542 7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.634 3.570 8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.937 5.740 7.306 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -9.113 5.386 8.811 1.00 0.00 H new ATOM 575 N VAL A 315 -8.438 3.948 4.512 1.00 0.00 N ATOM 576 CA VAL A 315 -8.686 3.824 3.076 1.00 0.00 C ATOM 577 C VAL A 315 -7.592 3.030 2.352 1.00 0.00 C ATOM 578 O VAL A 315 -7.556 3.034 1.123 1.00 0.00 O ATOM 579 CB VAL A 315 -8.758 5.219 2.431 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.889 6.075 2.996 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.444 5.983 2.616 1.00 0.00 C ATOM 0 H VAL A 315 -8.320 4.916 4.810 1.00 0.00 H new ATOM 0 HA VAL A 315 -9.630 3.289 2.974 1.00 0.00 H new ATOM 0 HB VAL A 315 -8.949 5.041 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.890 7.047 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.843 5.578 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.742 6.211 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.525 6.965 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.239 6.102 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -6.631 5.426 2.150 1.00 0.00 H new ATOM 591 N ARG A 316 -6.700 2.351 3.083 1.00 0.00 N ATOM 592 CA ARG A 316 -5.450 1.877 2.507 1.00 0.00 C ATOM 593 C ARG A 316 -5.045 0.461 2.909 1.00 0.00 C ATOM 594 O ARG A 316 -3.887 0.237 3.249 1.00 0.00 O ATOM 595 CB ARG A 316 -4.351 2.899 2.824 1.00 0.00 C ATOM 596 CG ARG A 316 -4.003 2.995 4.312 1.00 0.00 C ATOM 597 CD ARG A 316 -2.914 4.053 4.464 1.00 0.00 C ATOM 598 NE ARG A 316 -2.189 3.918 5.729 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.627 4.345 6.916 1.00 0.00 C ATOM 600 NH1 ARG A 316 -3.820 4.912 7.049 1.00 0.00 N ATOM 601 NH2 ARG A 316 -1.858 4.205 7.991 1.00 0.00 N ATOM 0 H ARG A 316 -6.825 2.122 4.069 1.00 0.00 H new ATOM 0 HA ARG A 316 -5.603 1.797 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -3.452 2.635 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -4.668 3.880 2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -4.884 3.266 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -3.656 2.032 4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -2.212 3.972 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.362 5.045 4.407 1.00 0.00 H new ATOM 0 HE ARG A 316 -1.277 3.462 5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -4.423 5.029 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -4.134 5.231 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -0.938 3.773 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -2.188 4.530 8.900 1.00 0.00 H new ATOM 615 N VAL A 317 -5.962 -0.511 2.883 1.00 0.00 N ATOM 616 CA VAL A 317 -5.562 -1.896 3.125 1.00 0.00 C ATOM 617 C VAL A 317 -6.269 -2.912 2.233 1.00 0.00 C ATOM 618 O VAL A 317 -7.416 -2.731 1.829 1.00 0.00 O ATOM 619 CB VAL A 317 -5.736 -2.309 4.582 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.552 -1.785 5.386 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.057 -1.849 5.200 1.00 0.00 C ATOM 0 H VAL A 317 -6.956 -0.370 2.703 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.503 -1.909 2.869 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.768 -3.398 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.665 -2.074 6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.628 -2.207 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.515 -0.698 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.108 -2.180 6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.117 -0.761 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.889 -2.277 4.641 1.00 0.00 H new ATOM 631 N HIS A 318 -5.533 -3.990 1.944 1.00 0.00 N ATOM 632 CA HIS A 318 -5.971 -5.166 1.218 1.00 0.00 C ATOM 633 C HIS A 318 -4.958 -6.284 1.475 1.00 0.00 C ATOM 634 O HIS A 318 -3.882 -6.020 2.009 1.00 0.00 O ATOM 635 CB HIS A 318 -6.010 -4.844 -0.271 1.00 0.00 C ATOM 636 CG HIS A 318 -6.613 -5.958 -1.078 1.00 0.00 C ATOM 637 ND1 HIS A 318 -6.021 -6.635 -2.117 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.860 -6.484 -0.905 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.903 -7.546 -2.565 1.00 0.00 C ATOM 640 NE2 HIS A 318 -8.047 -7.494 -1.857 1.00 0.00 N ATOM 0 H HIS A 318 -4.557 -4.060 2.233 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.964 -5.475 1.544 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.585 -3.931 -0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.998 -4.648 -0.625 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -5.082 -6.475 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.580 -6.175 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -6.719 -8.227 -3.382 1.00 0.00 H new ATOM 648 N ILE A 319 -5.281 -7.528 1.104 1.00 0.00 N ATOM 649 CA ILE A 319 -4.416 -8.674 1.364 1.00 0.00 C ATOM 650 C ILE A 319 -4.520 -9.668 0.210 1.00 0.00 C ATOM 651 O ILE A 319 -5.576 -9.789 -0.410 1.00 0.00 O ATOM 652 CB ILE A 319 -4.834 -9.322 2.692 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.639 -8.306 3.826 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.018 -10.589 2.974 1.00 0.00 C ATOM 655 CD1 ILE A 319 -5.020 -8.873 5.187 1.00 0.00 C ATOM 0 H ILE A 319 -6.146 -7.763 0.618 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.377 -8.354 1.441 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.883 -9.612 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.597 -7.986 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.241 -7.420 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -4.337 -11.024 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.176 -11.310 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.959 -10.335 3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.863 -8.114 5.954 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.069 -9.168 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.400 -9.743 5.405 1.00 0.00 H new ATOM 667 N GLU A 320 -3.428 -10.384 -0.083 1.00 0.00 N ATOM 668 CA GLU A 320 -3.410 -11.343 -1.176 1.00 0.00 C ATOM 669 C GLU A 320 -2.449 -12.509 -0.934 1.00 0.00 C ATOM 670 O GLU A 320 -1.547 -12.437 -0.098 1.00 0.00 O ATOM 671 CB GLU A 320 -3.058 -10.612 -2.475 1.00 0.00 C ATOM 672 CG GLU A 320 -1.592 -10.187 -2.510 1.00 0.00 C ATOM 673 CD GLU A 320 -1.270 -9.413 -3.788 1.00 0.00 C ATOM 674 OE1 GLU A 320 -1.518 -9.970 -4.881 1.00 0.00 O ATOM 675 OE2 GLU A 320 -0.779 -8.269 -3.666 1.00 0.00 O ATOM 0 H GLU A 320 -2.548 -10.312 0.427 1.00 0.00 H new ATOM 0 HA GLU A 320 -4.404 -11.784 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -3.268 -11.261 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -3.693 -9.733 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -1.370 -9.568 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -0.954 -11.068 -2.445 1.00 0.00 H new ATOM 817 N ALA A 331 0.415 -8.209 1.378 1.00 0.00 N ATOM 818 CA ALA A 331 -0.604 -7.180 1.298 1.00 0.00 C ATOM 819 C ALA A 331 -0.259 -6.078 0.310 1.00 0.00 C ATOM 820 O ALA A 331 0.871 -5.942 -0.157 1.00 0.00 O ATOM 821 CB ALA A 331 -0.790 -6.591 2.696 1.00 0.00 C ATOM 0 HA ALA A 331 -1.524 -7.637 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.553 -5.813 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -1.102 -7.377 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 331 0.152 -6.162 3.038 1.00 0.00 H new ATOM 827 N ASP A 332 -1.281 -5.285 0.001 1.00 0.00 N ATOM 828 CA ASP A 332 -1.151 -4.105 -0.825 1.00 0.00 C ATOM 829 C ASP A 332 -2.084 -3.031 -0.282 1.00 0.00 C ATOM 830 O ASP A 332 -3.010 -3.330 0.473 1.00 0.00 O ATOM 831 CB ASP A 332 -1.465 -4.457 -2.279 1.00 0.00 C ATOM 832 CG ASP A 332 -2.926 -4.850 -2.487 1.00 0.00 C ATOM 833 OD1 ASP A 332 -3.255 -6.031 -2.237 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.706 -3.960 -2.894 1.00 0.00 O ATOM 0 H ASP A 332 -2.233 -5.453 0.326 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.131 -3.722 -0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.228 -3.604 -2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.823 -5.279 -2.597 1.00 0.00 H new ATOM 839 N VAL A 333 -1.845 -1.776 -0.664 1.00 0.00 N ATOM 840 CA VAL A 333 -2.625 -0.662 -0.155 1.00 0.00 C ATOM 841 C VAL A 333 -2.972 0.312 -1.275 1.00 0.00 C ATOM 842 O VAL A 333 -2.473 0.202 -2.394 1.00 0.00 O ATOM 843 CB VAL A 333 -1.849 0.038 0.967 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.441 -0.945 2.067 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.583 0.701 0.436 1.00 0.00 C ATOM 0 H VAL A 333 -1.115 -1.512 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.563 -1.040 0.252 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.520 0.792 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -0.893 -0.413 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.333 -1.400 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.806 -1.723 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.056 1.188 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.063 -0.054 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.849 1.444 -0.316 1.00 0.00 H new ATOM 855 N GLU A 334 -3.837 1.275 -0.959 1.00 0.00 N ATOM 856 CA GLU A 334 -4.308 2.275 -1.904 1.00 0.00 C ATOM 857 C GLU A 334 -4.329 3.632 -1.211 1.00 0.00 C ATOM 858 O GLU A 334 -4.273 3.702 0.016 1.00 0.00 O ATOM 859 CB GLU A 334 -5.713 1.913 -2.392 1.00 0.00 C ATOM 860 CG GLU A 334 -5.730 0.570 -3.123 1.00 0.00 C ATOM 861 CD GLU A 334 -7.134 0.249 -3.632 1.00 0.00 C ATOM 862 OE1 GLU A 334 -7.470 0.726 -4.740 1.00 0.00 O ATOM 863 OE2 GLU A 334 -7.862 -0.469 -2.911 1.00 0.00 O ATOM 0 H GLU A 334 -4.233 1.380 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.642 2.312 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.394 1.873 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.079 2.694 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -5.032 0.597 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.392 -0.219 -2.451 1.00 0.00 H new ATOM 870 N PHE A 335 -4.410 4.716 -1.983 1.00 0.00 N ATOM 871 CA PHE A 335 -4.394 6.053 -1.419 1.00 0.00 C ATOM 872 C PHE A 335 -5.245 7.016 -2.234 1.00 0.00 C ATOM 873 O PHE A 335 -5.415 6.864 -3.447 1.00 0.00 O ATOM 874 CB PHE A 335 -2.955 6.572 -1.372 1.00 0.00 C ATOM 875 CG PHE A 335 -2.096 5.890 -0.334 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.162 6.305 1.004 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.235 4.848 -0.702 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.372 5.675 1.973 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.445 4.219 0.270 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.515 4.629 1.607 1.00 0.00 C ATOM 0 H PHE A 335 -4.487 4.688 -3.000 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.810 5.996 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.498 6.439 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.971 7.643 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.823 7.111 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -1.180 4.530 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.423 5.996 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.219 3.416 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.091 4.139 2.355 1.00 0.00 H new ATOM 890 N ALA A 336 -5.774 8.016 -1.524 1.00 0.00 N ATOM 891 CA ALA A 336 -6.470 9.134 -2.114 1.00 0.00 C ATOM 892 C ALA A 336 -5.408 10.134 -2.573 1.00 0.00 C ATOM 893 O ALA A 336 -4.767 10.795 -1.753 1.00 0.00 O ATOM 894 CB ALA A 336 -7.430 9.730 -1.080 1.00 0.00 C ATOM 0 H ALA A 336 -5.723 8.061 -0.506 1.00 0.00 H new ATOM 0 HA ALA A 336 -7.073 8.840 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.959 10.575 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.150 8.972 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.865 10.068 -0.211 1.00 0.00 H new ATOM 900 N THR A 337 -5.238 10.229 -3.895 1.00 0.00 N ATOM 901 CA THR A 337 -4.240 11.052 -4.567 1.00 0.00 C ATOM 902 C THR A 337 -2.822 10.605 -4.233 1.00 0.00 C ATOM 903 O THR A 337 -2.573 9.933 -3.232 1.00 0.00 O ATOM 904 CB THR A 337 -4.430 12.552 -4.310 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.068 12.897 -2.995 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.870 12.985 -4.573 1.00 0.00 C ATOM 0 H THR A 337 -5.821 9.709 -4.551 1.00 0.00 H new ATOM 0 HA THR A 337 -4.394 10.901 -5.635 1.00 0.00 H new ATOM 0 HB THR A 337 -3.774 13.076 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.936 12.082 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 337 -5.969 14.053 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.129 12.777 -5.611 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.542 12.434 -3.915 1.00 0.00 H new ATOM 914 N HIS A 338 -1.874 10.988 -5.088 1.00 0.00 N ATOM 915 CA HIS A 338 -0.478 10.661 -4.874 1.00 0.00 C ATOM 916 C HIS A 338 0.060 11.420 -3.663 1.00 0.00 C ATOM 917 O HIS A 338 1.127 11.094 -3.148 1.00 0.00 O ATOM 918 CB HIS A 338 0.298 11.016 -6.140 1.00 0.00 C ATOM 919 CG HIS A 338 1.725 10.543 -6.114 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.153 9.235 -6.111 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.838 11.335 -6.094 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.497 9.245 -6.077 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.966 10.505 -6.075 1.00 0.00 N ATOM 0 H HIS A 338 -2.055 11.526 -5.935 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.364 9.597 -4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.207 10.579 -7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.283 12.097 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.847 12.415 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.116 8.360 -6.054 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.943 10.797 -6.062 1.00 0.00 H new ATOM 931 N GLU A 339 -0.674 12.438 -3.204 1.00 0.00 N ATOM 932 CA GLU A 339 -0.266 13.246 -2.068 1.00 0.00 C ATOM 933 C GLU A 339 -0.382 12.462 -0.767 1.00 0.00 C ATOM 934 O GLU A 339 0.494 12.573 0.087 1.00 0.00 O ATOM 935 CB GLU A 339 -1.128 14.501 -2.018 1.00 0.00 C ATOM 936 CG GLU A 339 -0.764 15.373 -3.216 1.00 0.00 C ATOM 937 CD GLU A 339 -1.616 16.640 -3.264 1.00 0.00 C ATOM 938 OE1 GLU A 339 -1.323 17.565 -2.474 1.00 0.00 O ATOM 939 OE2 GLU A 339 -2.555 16.674 -4.090 1.00 0.00 O ATOM 0 H GLU A 339 -1.565 12.719 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 339 0.781 13.526 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.185 14.238 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -0.959 15.043 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.290 15.644 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -0.902 14.805 -4.136 1.00 0.00 H new ATOM 946 N GLU A 340 -1.444 11.668 -0.594 1.00 0.00 N ATOM 947 CA GLU A 340 -1.493 10.789 0.568 1.00 0.00 C ATOM 948 C GLU A 340 -0.524 9.623 0.377 1.00 0.00 C ATOM 949 O GLU A 340 -0.064 9.044 1.358 1.00 0.00 O ATOM 950 CB GLU A 340 -2.909 10.268 0.809 1.00 0.00 C ATOM 951 CG GLU A 340 -3.815 11.414 1.264 1.00 0.00 C ATOM 952 CD GLU A 340 -5.206 10.926 1.679 1.00 0.00 C ATOM 953 OE1 GLU A 340 -5.363 9.704 1.892 1.00 0.00 O ATOM 954 OE2 GLU A 340 -6.106 11.790 1.781 1.00 0.00 O ATOM 0 H GLU A 340 -2.249 11.618 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.196 11.364 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.302 9.823 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.893 9.483 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -3.349 11.932 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -3.913 12.139 0.456 1.00 0.00 H new ATOM 961 N ALA A 341 -0.207 9.269 -0.876 1.00 0.00 N ATOM 962 CA ALA A 341 0.727 8.181 -1.129 1.00 0.00 C ATOM 963 C ALA A 341 2.152 8.563 -0.715 1.00 0.00 C ATOM 964 O ALA A 341 2.868 7.740 -0.144 1.00 0.00 O ATOM 965 CB ALA A 341 0.680 7.800 -2.607 1.00 0.00 C ATOM 0 H ALA A 341 -0.580 9.716 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 341 0.431 7.322 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.380 6.986 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.329 7.480 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 341 0.955 8.662 -3.214 1.00 0.00 H new ATOM 971 N VAL A 342 2.584 9.801 -0.990 1.00 0.00 N ATOM 972 CA VAL A 342 3.912 10.244 -0.578 1.00 0.00 C ATOM 973 C VAL A 342 3.921 10.628 0.898 1.00 0.00 C ATOM 974 O VAL A 342 4.976 10.616 1.527 1.00 0.00 O ATOM 975 CB VAL A 342 4.408 11.418 -1.426 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.480 11.012 -2.895 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.510 12.643 -1.272 1.00 0.00 C ATOM 0 H VAL A 342 2.037 10.502 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 342 4.592 9.406 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 342 5.404 11.684 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.834 11.855 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.168 10.174 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.489 10.716 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.894 13.456 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.497 12.394 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.497 12.955 -0.228 1.00 0.00 H new ATOM 987 N ALA A 343 2.755 10.969 1.459 1.00 0.00 N ATOM 988 CA ALA A 343 2.650 11.222 2.887 1.00 0.00 C ATOM 989 C ALA A 343 2.796 9.907 3.651 1.00 0.00 C ATOM 990 O ALA A 343 3.079 9.911 4.848 1.00 0.00 O ATOM 991 CB ALA A 343 1.304 11.876 3.194 1.00 0.00 C ATOM 0 H ALA A 343 1.881 11.074 0.944 1.00 0.00 H new ATOM 0 HA ALA A 343 3.445 11.898 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.227 12.065 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.226 12.819 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.497 11.212 2.884 1.00 0.00 H new ATOM 997 N ALA A 344 2.601 8.783 2.951 1.00 0.00 N ATOM 998 CA ALA A 344 2.777 7.457 3.513 1.00 0.00 C ATOM 999 C ALA A 344 4.180 6.920 3.223 1.00 0.00 C ATOM 1000 O ALA A 344 4.616 5.961 3.857 1.00 0.00 O ATOM 1001 CB ALA A 344 1.709 6.538 2.929 1.00 0.00 C ATOM 0 H ALA A 344 2.315 8.778 1.972 1.00 0.00 H new ATOM 0 HA ALA A 344 2.669 7.502 4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.827 5.536 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.721 6.921 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.815 6.499 1.845 1.00 0.00 H new ATOM 1007 N MET A 345 4.893 7.531 2.269 1.00 0.00 N ATOM 1008 CA MET A 345 6.282 7.191 1.999 1.00 0.00 C ATOM 1009 C MET A 345 7.181 7.780 3.085 1.00 0.00 C ATOM 1010 O MET A 345 7.839 8.801 2.891 1.00 0.00 O ATOM 1011 CB MET A 345 6.681 7.637 0.588 1.00 0.00 C ATOM 1012 CG MET A 345 8.168 7.392 0.310 1.00 0.00 C ATOM 1013 SD MET A 345 8.880 5.879 1.016 1.00 0.00 S ATOM 1014 CE MET A 345 7.855 4.620 0.217 1.00 0.00 C ATOM 0 H MET A 345 4.521 8.268 1.671 1.00 0.00 H new ATOM 0 HA MET A 345 6.408 6.109 2.028 1.00 0.00 H new ATOM 0 HB2 MET A 345 6.081 7.099 -0.146 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.459 8.697 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.315 7.367 -0.770 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.732 8.244 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 345 8.157 3.631 0.563 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.808 4.788 0.470 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.981 4.681 -0.864 1.00 0.00 H new ATOM 1024 N SER A 346 7.198 7.114 4.242 1.00 0.00 N ATOM 1025 CA SER A 346 8.024 7.494 5.377 1.00 0.00 C ATOM 1026 C SER A 346 8.468 6.257 6.156 1.00 0.00 C ATOM 1027 O SER A 346 8.953 6.382 7.280 1.00 0.00 O ATOM 1028 CB SER A 346 7.238 8.442 6.286 1.00 0.00 C ATOM 1029 OG SER A 346 6.106 7.782 6.817 1.00 0.00 O ATOM 0 H SER A 346 6.629 6.285 4.413 1.00 0.00 H new ATOM 0 HA SER A 346 8.916 8.003 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 346 7.877 8.793 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 346 6.925 9.321 5.723 1.00 0.00 H new ATOM 0 HG SER A 346 5.612 8.397 7.398 1.00 0.00 H new ATOM 1035 N LYS A 347 8.305 5.066 5.564 1.00 0.00 N ATOM 1036 CA LYS A 347 8.554 3.798 6.242 1.00 0.00 C ATOM 1037 C LYS A 347 9.412 2.858 5.396 1.00 0.00 C ATOM 1038 O LYS A 347 9.355 1.645 5.587 1.00 0.00 O ATOM 1039 CB LYS A 347 7.220 3.134 6.611 1.00 0.00 C ATOM 1040 CG LYS A 347 6.404 3.945 7.620 1.00 0.00 C ATOM 1041 CD LYS A 347 7.166 4.130 8.935 1.00 0.00 C ATOM 1042 CE LYS A 347 6.270 4.782 9.986 1.00 0.00 C ATOM 1043 NZ LYS A 347 5.658 6.029 9.488 1.00 0.00 N ATOM 0 H LYS A 347 7.995 4.961 4.598 1.00 0.00 H new ATOM 0 HA LYS A 347 9.114 4.007 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.629 2.992 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.416 2.144 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.164 4.920 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.457 3.440 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.518 3.164 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.048 4.748 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.486 4.084 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 347 6.855 4.996 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.409 6.639 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.334 6.526 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 4.800 5.802 8.946 1.00 0.00 H new ATOM 1057 N ASP A 348 10.200 3.413 4.468 1.00 0.00 N ATOM 1058 CA ASP A 348 11.134 2.668 3.628 1.00 0.00 C ATOM 1059 C ASP A 348 11.833 1.570 4.431 1.00 0.00 C ATOM 1060 O ASP A 348 12.725 1.849 5.232 1.00 0.00 O ATOM 1061 CB ASP A 348 12.129 3.659 3.025 1.00 0.00 C ATOM 1062 CG ASP A 348 13.171 2.965 2.155 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.769 2.421 1.106 1.00 0.00 O ATOM 1064 OD2 ASP A 348 14.360 2.985 2.548 1.00 0.00 O ATOM 0 H ASP A 348 10.203 4.415 4.279 1.00 0.00 H new ATOM 0 HA ASP A 348 10.599 2.165 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 348 11.591 4.395 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.630 4.203 3.826 1.00 0.00 H new ATOM 1069 N ARG A 349 11.407 0.323 4.195 1.00 0.00 N ATOM 1070 CA ARG A 349 11.854 -0.873 4.904 1.00 0.00 C ATOM 1071 C ARG A 349 12.135 -0.622 6.394 1.00 0.00 C ATOM 1072 O ARG A 349 13.133 -1.094 6.934 1.00 0.00 O ATOM 1073 CB ARG A 349 12.976 -1.572 4.140 1.00 0.00 C ATOM 1074 CG ARG A 349 14.140 -0.655 3.794 1.00 0.00 C ATOM 1075 CD ARG A 349 15.000 -1.467 2.841 1.00 0.00 C ATOM 1076 NE ARG A 349 16.093 -0.672 2.269 1.00 0.00 N ATOM 1077 CZ ARG A 349 17.215 -0.342 2.912 1.00 0.00 C ATOM 1078 NH1 ARG A 349 17.427 -0.728 4.170 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.138 0.383 2.287 1.00 0.00 N ATOM 0 H ARG A 349 10.714 0.116 3.476 1.00 0.00 H new ATOM 0 HA ARG A 349 11.027 -1.582 4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.346 -2.406 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.570 -1.993 3.220 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.793 0.267 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.698 -0.370 4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 349 15.415 -2.325 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.378 -1.859 2.036 1.00 0.00 H new ATOM 0 HE ARG A 349 15.987 -0.347 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 349 16.725 -1.285 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 349 18.291 -0.466 4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 349 17.985 0.682 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.999 0.640 2.771 1.00 0.00 H new ATOM 1093 N ALA A 350 11.235 0.131 7.042 1.00 0.00 N ATOM 1094 CA ALA A 350 11.261 0.482 8.461 1.00 0.00 C ATOM 1095 C ALA A 350 10.963 -0.723 9.366 1.00 0.00 C ATOM 1096 O ALA A 350 11.300 -1.856 9.032 1.00 0.00 O ATOM 1097 CB ALA A 350 10.242 1.605 8.687 1.00 0.00 C ATOM 0 H ALA A 350 10.429 0.530 6.561 1.00 0.00 H new ATOM 0 HA ALA A 350 12.263 0.816 8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.240 1.888 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.512 2.469 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.249 1.258 8.403 1.00 0.00 H new ATOM 1103 N ASN A 351 10.327 -0.479 10.520 1.00 0.00 N ATOM 1104 CA ASN A 351 9.996 -1.501 11.509 1.00 0.00 C ATOM 1105 C ASN A 351 8.565 -1.296 12.021 1.00 0.00 C ATOM 1106 O ASN A 351 7.903 -0.335 11.628 1.00 0.00 O ATOM 1107 CB ASN A 351 10.995 -1.421 12.667 1.00 0.00 C ATOM 1108 CG ASN A 351 12.427 -1.666 12.209 1.00 0.00 C ATOM 1109 OD1 ASN A 351 12.834 -2.804 12.003 1.00 0.00 O ATOM 1110 ND2 ASN A 351 13.202 -0.596 12.047 1.00 0.00 N ATOM 0 H ASN A 351 10.024 0.456 10.793 1.00 0.00 H new ATOM 0 HA ASN A 351 10.056 -2.488 11.049 1.00 0.00 H new ATOM 0 HB2 ASN A 351 10.928 -0.439 13.135 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.728 -2.155 13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 351 14.169 -0.708 11.742 1.00 0.00 H new ATOM 0 HD22 ASN A 351 12.829 0.336 12.228 1.00 0.00 H new ATOM 1117 N MET A 352 8.081 -2.190 12.894 1.00 0.00 N ATOM 1118 CA MET A 352 6.718 -2.100 13.412 1.00 0.00 C ATOM 1119 C MET A 352 6.578 -2.645 14.834 1.00 0.00 C ATOM 1120 O MET A 352 5.839 -2.067 15.627 1.00 0.00 O ATOM 1121 CB MET A 352 5.799 -2.892 12.480 1.00 0.00 C ATOM 1122 CG MET A 352 4.356 -2.871 12.980 1.00 0.00 C ATOM 1123 SD MET A 352 3.246 -3.996 12.091 1.00 0.00 S ATOM 1124 CE MET A 352 3.189 -3.185 10.475 1.00 0.00 C ATOM 0 H MET A 352 8.616 -2.981 13.253 1.00 0.00 H new ATOM 0 HA MET A 352 6.447 -1.045 13.450 1.00 0.00 H new ATOM 0 HB2 MET A 352 5.845 -2.471 11.476 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.148 -3.922 12.410 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.346 -3.130 14.039 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.969 -1.855 12.897 1.00 0.00 H new ATOM 0 HE1 MET A 352 3.087 -3.938 9.693 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.337 -2.506 10.439 1.00 0.00 H new ATOM 0 HE3 MET A 352 4.109 -2.622 10.318 1.00 0.00 H new ATOM 1134 N GLN A 353 7.267 -3.741 15.178 1.00 0.00 N ATOM 1135 CA GLN A 353 7.096 -4.344 16.497 1.00 0.00 C ATOM 1136 C GLN A 353 8.307 -5.142 16.963 1.00 0.00 C ATOM 1137 O GLN A 353 8.746 -4.966 18.099 1.00 0.00 O ATOM 1138 CB GLN A 353 5.868 -5.255 16.506 1.00 0.00 C ATOM 1139 CG GLN A 353 5.680 -6.065 15.223 1.00 0.00 C ATOM 1140 CD GLN A 353 4.359 -6.814 15.297 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.325 -8.035 15.398 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.257 -6.072 15.249 1.00 0.00 N ATOM 0 H GLN A 353 7.935 -4.217 14.571 1.00 0.00 H new ATOM 0 HA GLN A 353 6.968 -3.514 17.192 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.945 -5.942 17.348 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.979 -4.646 16.672 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.690 -5.404 14.356 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.504 -6.767 15.097 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.328 -5.058 15.165 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.340 -6.517 15.297 1.00 0.00 H new ATOM 1151 N HIS A 354 8.854 -6.013 16.112 1.00 0.00 N ATOM 1152 CA HIS A 354 9.975 -6.851 16.518 1.00 0.00 C ATOM 1153 C HIS A 354 10.857 -7.279 15.343 1.00 0.00 C ATOM 1154 O HIS A 354 11.827 -8.013 15.532 1.00 0.00 O ATOM 1155 CB HIS A 354 9.428 -8.064 17.271 1.00 0.00 C ATOM 1156 CG HIS A 354 8.811 -9.097 16.372 1.00 0.00 C ATOM 1157 ND1 HIS A 354 9.453 -10.143 15.751 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.493 -9.167 16.022 1.00 0.00 C ATOM 1159 CE1 HIS A 354 8.535 -10.825 15.045 1.00 0.00 C ATOM 1160 NE2 HIS A 354 7.319 -10.267 15.173 1.00 0.00 N ATOM 0 H HIS A 354 8.542 -6.153 15.151 1.00 0.00 H new ATOM 0 HA HIS A 354 10.623 -6.265 17.170 1.00 0.00 H new ATOM 0 HB2 HIS A 354 10.236 -8.524 17.839 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.682 -7.729 17.992 1.00 0.00 H new ATOM 0 HD2 HIS A 354 6.717 -8.489 16.345 1.00 0.00 H new ATOM 0 HE1 HIS A 354 8.746 -11.704 14.454 1.00 0.00 H new ATOM 0 HE2 HIS A 354 6.450 -10.580 14.741 1.00 0.00 H new ATOM 1168 N ARG A 355 10.526 -6.824 14.130 1.00 0.00 N ATOM 1169 CA ARG A 355 11.282 -7.114 12.922 1.00 0.00 C ATOM 1170 C ARG A 355 11.041 -6.003 11.907 1.00 0.00 C ATOM 1171 O ARG A 355 10.164 -5.163 12.113 1.00 0.00 O ATOM 1172 CB ARG A 355 10.861 -8.469 12.346 1.00 0.00 C ATOM 1173 CG ARG A 355 9.388 -8.495 11.925 1.00 0.00 C ATOM 1174 CD ARG A 355 9.025 -9.891 11.414 1.00 0.00 C ATOM 1175 NE ARG A 355 9.966 -10.324 10.375 1.00 0.00 N ATOM 1176 CZ ARG A 355 10.338 -11.589 10.162 1.00 0.00 C ATOM 1177 NH1 ARG A 355 9.816 -12.585 10.873 1.00 0.00 N ATOM 1178 NH2 ARG A 355 11.244 -11.854 9.226 1.00 0.00 N ATOM 0 H ARG A 355 9.710 -6.234 13.965 1.00 0.00 H new ATOM 0 HA ARG A 355 12.345 -7.163 13.158 1.00 0.00 H new ATOM 0 HB2 ARG A 355 11.486 -8.704 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 355 11.037 -9.247 13.089 1.00 0.00 H new ATOM 0 HG2 ARG A 355 8.753 -8.230 12.770 1.00 0.00 H new ATOM 0 HG3 ARG A 355 9.209 -7.754 11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 355 9.037 -10.601 12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 355 8.011 -9.885 11.014 1.00 0.00 H new ATOM 0 HE ARG A 355 10.366 -9.606 9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 355 9.121 -12.388 11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 355 10.111 -13.546 10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 355 11.648 -11.095 8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 355 11.535 -12.817 9.056 1.00 0.00 H new ATOM 1192 N TYR A 356 11.808 -5.990 10.815 1.00 0.00 N ATOM 1193 CA TYR A 356 11.643 -4.949 9.818 1.00 0.00 C ATOM 1194 C TYR A 356 10.353 -5.174 9.029 1.00 0.00 C ATOM 1195 O TYR A 356 9.837 -6.286 8.982 1.00 0.00 O ATOM 1196 CB TYR A 356 12.940 -4.776 9.006 1.00 0.00 C ATOM 1197 CG TYR A 356 13.081 -5.317 7.592 1.00 0.00 C ATOM 1198 CD1 TYR A 356 12.589 -4.556 6.520 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.721 -6.545 7.335 1.00 0.00 C ATOM 1200 CE1 TYR A 356 12.774 -4.988 5.199 1.00 0.00 C ATOM 1201 CE2 TYR A 356 13.921 -6.971 6.013 1.00 0.00 C ATOM 1202 CZ TYR A 356 13.451 -6.193 4.939 1.00 0.00 C ATOM 1203 OH TYR A 356 13.648 -6.599 3.652 1.00 0.00 O ATOM 0 H TYR A 356 12.533 -6.676 10.607 1.00 0.00 H new ATOM 0 HA TYR A 356 11.497 -3.973 10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.139 -3.706 8.955 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.742 -5.221 9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 356 12.065 -3.632 6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 356 14.058 -7.160 8.157 1.00 0.00 H new ATOM 0 HE1 TYR A 356 12.396 -4.394 4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.438 -7.899 5.819 1.00 0.00 H new ATOM 0 HH TYR A 356 14.133 -7.451 3.648 1.00 0.00 H new ATOM 1213 N ILE A 357 9.832 -4.116 8.407 1.00 0.00 N ATOM 1214 CA ILE A 357 8.619 -4.147 7.600 1.00 0.00 C ATOM 1215 C ILE A 357 8.880 -3.228 6.421 1.00 0.00 C ATOM 1216 O ILE A 357 9.681 -2.303 6.539 1.00 0.00 O ATOM 1217 CB ILE A 357 7.405 -3.652 8.404 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.133 -4.520 9.640 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.155 -3.628 7.517 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.704 -5.947 9.302 1.00 0.00 C ATOM 0 H ILE A 357 10.256 -3.190 8.454 1.00 0.00 H new ATOM 0 HA ILE A 357 8.389 -5.163 7.279 1.00 0.00 H new ATOM 0 HB ILE A 357 7.640 -2.644 8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 357 8.033 -4.556 10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.356 -4.048 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.303 -3.276 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.320 -2.958 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.952 -4.633 7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.529 -6.502 10.224 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.787 -5.921 8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.490 -6.437 8.727 1.00 0.00 H new ATOM 1232 N GLU A 358 8.225 -3.456 5.285 1.00 0.00 N ATOM 1233 CA GLU A 358 8.580 -2.719 4.090 1.00 0.00 C ATOM 1234 C GLU A 358 7.370 -2.417 3.216 1.00 0.00 C ATOM 1235 O GLU A 358 6.371 -3.133 3.249 1.00 0.00 O ATOM 1236 CB GLU A 358 9.667 -3.521 3.362 1.00 0.00 C ATOM 1237 CG GLU A 358 9.254 -4.945 2.971 1.00 0.00 C ATOM 1238 CD GLU A 358 8.688 -5.055 1.554 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.071 -4.076 1.078 1.00 0.00 O ATOM 1240 OE2 GLU A 358 8.881 -6.132 0.949 1.00 0.00 O ATOM 0 H GLU A 358 7.466 -4.128 5.173 1.00 0.00 H new ATOM 0 HA GLU A 358 8.971 -1.736 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.957 -2.980 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.549 -3.575 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 358 10.120 -5.602 3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.508 -5.305 3.680 1.00 0.00 H new ATOM 1247 N LEU A 359 7.490 -1.339 2.435 1.00 0.00 N ATOM 1248 CA LEU A 359 6.484 -0.897 1.485 1.00 0.00 C ATOM 1249 C LEU A 359 7.165 -0.182 0.315 1.00 0.00 C ATOM 1250 O LEU A 359 8.150 0.529 0.507 1.00 0.00 O ATOM 1251 CB LEU A 359 5.428 -0.045 2.205 1.00 0.00 C ATOM 1252 CG LEU A 359 5.859 1.311 2.791 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.226 1.317 3.471 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.839 2.412 1.736 1.00 0.00 C ATOM 0 H LEU A 359 8.315 -0.739 2.452 1.00 0.00 H new ATOM 0 HA LEU A 359 5.951 -1.747 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.615 0.140 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.017 -0.643 3.018 1.00 0.00 H new ATOM 0 HG LEU A 359 5.116 1.503 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.439 2.316 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.224 0.607 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.992 1.032 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.149 3.354 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.524 2.154 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.830 2.516 1.337 1.00 0.00 H new ATOM 1266 N PHE A 360 6.650 -0.361 -0.902 1.00 0.00 N ATOM 1267 CA PHE A 360 7.323 0.107 -2.107 1.00 0.00 C ATOM 1268 C PHE A 360 6.290 0.777 -3.020 1.00 0.00 C ATOM 1269 O PHE A 360 5.268 0.177 -3.353 1.00 0.00 O ATOM 1270 CB PHE A 360 8.021 -1.097 -2.762 1.00 0.00 C ATOM 1271 CG PHE A 360 9.429 -0.851 -3.281 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.667 0.144 -4.243 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.512 -1.619 -2.813 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.962 0.358 -4.737 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.795 -1.409 -3.308 1.00 0.00 C ATOM 1276 CZ PHE A 360 12.030 -0.424 -4.275 1.00 0.00 C ATOM 0 H PHE A 360 5.762 -0.831 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 360 8.087 0.854 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.060 -1.909 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.404 -1.442 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.848 0.748 -4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.345 -2.378 -2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.137 1.127 -5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.615 -2.010 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 360 13.026 -0.268 -4.662 1.00 0.00 H new ATOM 1286 N LEU A 361 6.568 2.025 -3.417 1.00 0.00 N ATOM 1287 CA LEU A 361 5.631 2.897 -4.119 1.00 0.00 C ATOM 1288 C LEU A 361 5.125 2.285 -5.432 1.00 0.00 C ATOM 1289 O LEU A 361 5.863 1.587 -6.126 1.00 0.00 O ATOM 1290 CB LEU A 361 6.331 4.243 -4.366 1.00 0.00 C ATOM 1291 CG LEU A 361 5.468 5.467 -4.032 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.306 6.728 -4.220 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.233 5.579 -4.921 1.00 0.00 C ATOM 0 H LEU A 361 7.474 2.463 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 361 4.744 3.036 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.243 4.281 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.631 4.298 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 361 5.131 5.353 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.702 7.605 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.169 6.694 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.646 6.788 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.661 6.463 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.541 5.663 -5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.613 4.691 -4.797 1.00 0.00 H new ATOM 1305 N ASN A 362 3.856 2.551 -5.768 1.00 0.00 N ATOM 1306 CA ASN A 362 3.214 2.106 -6.992 1.00 0.00 C ATOM 1307 C ASN A 362 2.210 3.175 -7.455 1.00 0.00 C ATOM 1308 O ASN A 362 1.037 2.896 -7.710 1.00 0.00 O ATOM 1309 CB ASN A 362 2.559 0.751 -6.733 1.00 0.00 C ATOM 1310 CG ASN A 362 1.877 0.222 -7.980 1.00 0.00 C ATOM 1311 OD1 ASN A 362 2.432 0.264 -9.074 1.00 0.00 O ATOM 1312 ND2 ASN A 362 0.659 -0.280 -7.816 1.00 0.00 N ATOM 0 H ASN A 362 3.237 3.099 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 362 3.938 1.977 -7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.313 0.038 -6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.829 0.845 -5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 362 0.148 -0.650 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 362 0.234 -0.296 -6.889 1.00 0.00 H new ATOM 1319 N SER A 363 2.689 4.419 -7.563 1.00 0.00 N ATOM 1320 CA SER A 363 1.896 5.550 -8.030 1.00 0.00 C ATOM 1321 C SER A 363 2.821 6.608 -8.634 1.00 0.00 C ATOM 1322 O SER A 363 4.024 6.596 -8.381 1.00 0.00 O ATOM 1323 CB SER A 363 1.110 6.133 -6.856 1.00 0.00 C ATOM 1324 OG SER A 363 0.284 7.189 -7.303 1.00 0.00 O ATOM 0 H SER A 363 3.649 4.666 -7.325 1.00 0.00 H new ATOM 0 HA SER A 363 1.195 5.221 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.502 5.356 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 363 1.798 6.497 -6.092 1.00 0.00 H new ATOM 0 HG SER A 363 0.675 8.046 -7.034 1.00 0.00 H new ATOM 1330 N THR A 364 2.262 7.524 -9.432 1.00 0.00 N ATOM 1331 CA THR A 364 3.047 8.555 -10.104 1.00 0.00 C ATOM 1332 C THR A 364 2.196 9.778 -10.450 1.00 0.00 C ATOM 1333 O THR A 364 2.531 10.520 -11.373 1.00 0.00 O ATOM 1334 CB THR A 364 3.703 7.962 -11.354 1.00 0.00 C ATOM 1335 OG1 THR A 364 4.676 8.846 -11.865 1.00 0.00 O ATOM 1336 CG2 THR A 364 2.649 7.700 -12.424 1.00 0.00 C ATOM 0 H THR A 364 1.262 7.569 -9.627 1.00 0.00 H new ATOM 0 HA THR A 364 3.826 8.899 -9.423 1.00 0.00 H new ATOM 0 HB THR A 364 4.182 7.023 -11.078 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.310 9.755 -11.892 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.126 7.278 -13.309 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.909 6.998 -12.041 1.00 0.00 H new ATOM 0 HG23 THR A 364 2.158 8.637 -12.688 1.00 0.00 H new ATOM 1344 N THR A 365 1.099 9.990 -9.713 1.00 0.00 N ATOM 1345 CA THR A 365 0.159 11.092 -9.924 1.00 0.00 C ATOM 1346 C THR A 365 -0.284 11.249 -11.385 1.00 0.00 C ATOM 1347 O THR A 365 -0.628 12.349 -11.816 1.00 0.00 O ATOM 1348 CB THR A 365 0.709 12.393 -9.318 1.00 0.00 C ATOM 1349 OG1 THR A 365 -0.303 13.375 -9.298 1.00 0.00 O ATOM 1350 CG2 THR A 365 1.919 12.939 -10.070 1.00 0.00 C ATOM 0 H THR A 365 0.836 9.384 -8.935 1.00 0.00 H new ATOM 0 HA THR A 365 -0.758 10.840 -9.391 1.00 0.00 H new ATOM 0 HB THR A 365 1.036 12.152 -8.306 1.00 0.00 H new ATOM 0 HG1 THR A 365 -0.807 13.343 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.260 13.858 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 365 2.722 12.202 -10.052 1.00 0.00 H new ATOM 0 HG23 THR A 365 1.641 13.148 -11.103 1.00 0.00 H new