USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 402 ASN : amide:sc= 0.182 K(o=1.9,f=-1!) USER MOD Set 1.2: A 448 SER OG : rot 24:sc= 1.74 USER MOD Set 2.1: A 426 ASN : amide:sc= 0.109 K(o=-0.055,f=-3.3!) USER MOD Set 2.2: A 451 ASN : amide:sc= -0.164 X(o=-0.055,f=-0.055) USER MOD Set 3.1: A 420 MET CE :methyl -170:sc= 0 (180deg=-0.203) USER MOD Set 3.2: A 462 MET CE :methyl -162:sc= -0.0143 (180deg=-0.608) USER MOD Set 4.1: A 415 GLN : amide:sc= 0.707 K(o=1.5,f=-0.78) USER MOD Set 4.2: A 419 GLN : amide:sc= 0.816 K(o=1.5,f=-0.17) USER MOD Set 5.1: A 393 SER OG : rot 119:sc= 0.676 USER MOD Set 5.2: A 395 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.267) USER MOD Set 5.3: A 429 SER OG : rot 171:sc= 0.0915 USER MOD Set 6.1: A 394 GLN : amide:sc= 0 X(o=0.7,f=0.67) USER MOD Set 6.2: A 431 LYS NZ :NH3+ 151:sc= 0.698 (180deg=0.265) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 1.12 K(o=1.1,f=-3.1!) USER MOD Single : A 422 MET CE :methyl 152:sc= 0 (180deg=-0.346) USER MOD Single : A 442 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00974) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 449 TYR OH : rot -160:sc= 0.92 USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 460 GLN : amide:sc= 0.321 X(o=0.32,f=0) USER MOD Single : A 461 SER OG : rot 88:sc= 1 USER MOD Single : A 463 ASN : amide:sc= 0.811 K(o=0.81,f=-6.5!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 477 LYS NZ :NH3+ -173:sc= 0.975 (180deg=0.933) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -9.918 1.963 -2.058 1.00 0.00 N ATOM 183 CA ALA A 391 -9.826 0.636 -1.437 1.00 0.00 C ATOM 184 C ALA A 391 -10.245 -0.470 -2.420 1.00 0.00 C ATOM 185 O ALA A 391 -11.369 -0.483 -2.928 1.00 0.00 O ATOM 186 CB ALA A 391 -10.685 0.616 -0.165 1.00 0.00 C ATOM 0 HA ALA A 391 -8.789 0.437 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.621 -0.367 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.322 1.372 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.722 0.829 -0.423 1.00 0.00 H new ATOM 192 N GLY A 392 -9.316 -1.390 -2.691 1.00 0.00 N ATOM 193 CA GLY A 392 -9.463 -2.493 -3.644 1.00 0.00 C ATOM 194 C GLY A 392 -9.018 -2.130 -5.062 1.00 0.00 C ATOM 195 O GLY A 392 -8.952 -3.015 -5.915 1.00 0.00 O ATOM 0 H GLY A 392 -8.404 -1.387 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.881 -3.346 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.506 -2.807 -3.667 1.00 0.00 H new ATOM 199 N SER A 393 -8.688 -0.865 -5.325 1.00 0.00 N ATOM 200 CA SER A 393 -8.291 -0.382 -6.651 1.00 0.00 C ATOM 201 C SER A 393 -6.798 -0.613 -6.943 1.00 0.00 C ATOM 202 O SER A 393 -5.979 -0.772 -6.034 1.00 0.00 O ATOM 203 CB SER A 393 -8.649 1.102 -6.797 1.00 0.00 C ATOM 204 OG SER A 393 -8.642 1.482 -8.166 1.00 0.00 O ATOM 0 H SER A 393 -8.689 -0.135 -4.613 1.00 0.00 H new ATOM 0 HA SER A 393 -8.845 -0.963 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.633 1.289 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.936 1.711 -6.241 1.00 0.00 H new ATOM 0 HG SER A 393 -9.535 1.791 -8.424 1.00 0.00 H new ATOM 210 N GLN A 394 -6.441 -0.638 -8.231 1.00 0.00 N ATOM 211 CA GLN A 394 -5.095 -0.953 -8.727 1.00 0.00 C ATOM 212 C GLN A 394 -4.568 0.113 -9.711 1.00 0.00 C ATOM 213 O GLN A 394 -3.569 -0.107 -10.399 1.00 0.00 O ATOM 214 CB GLN A 394 -5.084 -2.390 -9.290 1.00 0.00 C ATOM 215 CG GLN A 394 -5.189 -3.437 -8.162 1.00 0.00 C ATOM 216 CD GLN A 394 -5.291 -4.873 -8.676 1.00 0.00 C ATOM 217 OE1 GLN A 394 -6.280 -5.565 -8.456 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.286 -5.391 -9.353 1.00 0.00 N ATOM 0 H GLN A 394 -7.101 -0.433 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.387 -0.921 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.914 -2.517 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.167 -2.554 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.316 -3.352 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.063 -3.215 -7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.457 -4.829 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.338 -6.354 -9.686 1.00 0.00 H new ATOM 227 N LYS A 395 -5.211 1.288 -9.769 1.00 0.00 N ATOM 228 CA LYS A 395 -4.667 2.476 -10.448 1.00 0.00 C ATOM 229 C LYS A 395 -3.432 3.012 -9.687 1.00 0.00 C ATOM 230 O LYS A 395 -3.143 2.578 -8.567 1.00 0.00 O ATOM 231 CB LYS A 395 -5.710 3.612 -10.472 1.00 0.00 C ATOM 232 CG LYS A 395 -7.145 3.268 -10.897 1.00 0.00 C ATOM 233 CD LYS A 395 -8.058 4.505 -10.788 1.00 0.00 C ATOM 234 CE LYS A 395 -8.049 5.192 -9.406 1.00 0.00 C ATOM 235 NZ LYS A 395 -8.684 4.363 -8.352 1.00 0.00 N ATOM 0 H LYS A 395 -6.126 1.443 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.400 2.177 -11.462 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.753 4.046 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.341 4.389 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -7.147 2.898 -11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.533 2.467 -10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.755 5.231 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -9.080 4.208 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -7.020 5.411 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -8.571 6.147 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -8.327 4.654 -7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.716 4.492 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.455 3.361 -8.513 1.00 0.00 H new ATOM 249 N GLU A 396 -2.789 4.055 -10.211 1.00 0.00 N ATOM 250 CA GLU A 396 -1.770 4.818 -9.490 1.00 0.00 C ATOM 251 C GLU A 396 -1.645 6.254 -10.016 1.00 0.00 C ATOM 252 O GLU A 396 -2.032 6.555 -11.149 1.00 0.00 O ATOM 253 CB GLU A 396 -0.423 4.071 -9.500 1.00 0.00 C ATOM 254 CG GLU A 396 0.200 3.911 -10.894 1.00 0.00 C ATOM 255 CD GLU A 396 1.495 3.090 -10.844 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.466 1.921 -10.395 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.557 3.582 -11.293 1.00 0.00 O ATOM 0 H GLU A 396 -2.962 4.397 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 396 -2.090 4.905 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.280 4.604 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.566 3.083 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.514 3.425 -11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.408 4.895 -11.315 1.00 0.00 H new ATOM 264 N GLY A 397 -1.114 7.137 -9.167 1.00 0.00 N ATOM 265 CA GLY A 397 -0.862 8.550 -9.466 1.00 0.00 C ATOM 266 C GLY A 397 0.459 8.787 -10.221 1.00 0.00 C ATOM 267 O GLY A 397 0.970 7.862 -10.863 1.00 0.00 O ATOM 0 H GLY A 397 -0.838 6.880 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.687 8.941 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.846 9.114 -8.534 1.00 0.00 H new ATOM 271 N PRO A 398 1.022 10.013 -10.170 1.00 0.00 N ATOM 272 CA PRO A 398 2.273 10.349 -10.849 1.00 0.00 C ATOM 273 C PRO A 398 3.461 9.588 -10.245 1.00 0.00 C ATOM 274 O PRO A 398 3.390 9.089 -9.123 1.00 0.00 O ATOM 275 CB PRO A 398 2.419 11.869 -10.711 1.00 0.00 C ATOM 276 CG PRO A 398 1.664 12.186 -9.423 1.00 0.00 C ATOM 277 CD PRO A 398 0.524 11.168 -9.428 1.00 0.00 C ATOM 0 HA PRO A 398 2.258 10.055 -11.898 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.465 12.167 -10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 398 1.991 12.392 -11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.300 12.074 -8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.290 13.210 -9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.245 10.889 -8.412 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.367 11.581 -9.901 1.00 0.00 H new ATOM 285 N GLU A 399 4.564 9.488 -10.992 1.00 0.00 N ATOM 286 CA GLU A 399 5.760 8.757 -10.557 1.00 0.00 C ATOM 287 C GLU A 399 6.369 9.399 -9.295 1.00 0.00 C ATOM 288 O GLU A 399 6.684 10.592 -9.274 1.00 0.00 O ATOM 289 CB GLU A 399 6.772 8.688 -11.713 1.00 0.00 C ATOM 290 CG GLU A 399 7.960 7.770 -11.398 1.00 0.00 C ATOM 291 CD GLU A 399 8.924 7.696 -12.589 1.00 0.00 C ATOM 292 OE1 GLU A 399 8.716 6.854 -13.493 1.00 0.00 O ATOM 293 OE2 GLU A 399 9.906 8.475 -12.621 1.00 0.00 O ATOM 0 H GLU A 399 4.654 9.911 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 399 5.481 7.738 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 399 6.269 8.331 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.139 9.691 -11.931 1.00 0.00 H new ATOM 0 HG2 GLU A 399 8.488 8.140 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 399 7.598 6.771 -11.155 1.00 0.00 H new ATOM 300 N GLY A 400 6.510 8.598 -8.231 1.00 0.00 N ATOM 301 CA GLY A 400 6.926 9.040 -6.891 1.00 0.00 C ATOM 302 C GLY A 400 5.765 9.191 -5.903 1.00 0.00 C ATOM 303 O GLY A 400 6.002 9.348 -4.708 1.00 0.00 O ATOM 0 H GLY A 400 6.333 7.595 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.643 8.324 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.444 9.995 -6.978 1.00 0.00 H new ATOM 307 N ALA A 401 4.516 9.099 -6.374 1.00 0.00 N ATOM 308 CA ALA A 401 3.301 9.076 -5.550 1.00 0.00 C ATOM 309 C ALA A 401 2.799 7.646 -5.269 1.00 0.00 C ATOM 310 O ALA A 401 1.623 7.453 -4.968 1.00 0.00 O ATOM 311 CB ALA A 401 2.237 9.942 -6.238 1.00 0.00 C ATOM 0 H ALA A 401 4.316 9.036 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 401 3.528 9.489 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.324 9.939 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.605 10.964 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.025 9.539 -7.228 1.00 0.00 H new ATOM 317 N ASN A 402 3.665 6.639 -5.407 1.00 0.00 N ATOM 318 CA ASN A 402 3.316 5.213 -5.428 1.00 0.00 C ATOM 319 C ASN A 402 4.141 4.452 -4.374 1.00 0.00 C ATOM 320 O ASN A 402 5.375 4.465 -4.418 1.00 0.00 O ATOM 321 CB ASN A 402 3.516 4.641 -6.854 1.00 0.00 C ATOM 322 CG ASN A 402 3.664 5.698 -7.952 1.00 0.00 C ATOM 323 OD1 ASN A 402 4.771 6.059 -8.340 1.00 0.00 O ATOM 324 ND2 ASN A 402 2.573 6.263 -8.433 1.00 0.00 N ATOM 0 H ASN A 402 4.667 6.799 -5.511 1.00 0.00 H new ATOM 0 HA ASN A 402 2.264 5.087 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.403 4.008 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.668 4.001 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.647 7.003 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 402 1.655 5.959 -8.107 1.00 0.00 H new ATOM 331 N LEU A 403 3.458 3.808 -3.421 1.00 0.00 N ATOM 332 CA LEU A 403 4.019 3.215 -2.203 1.00 0.00 C ATOM 333 C LEU A 403 3.663 1.735 -2.059 1.00 0.00 C ATOM 334 O LEU A 403 2.507 1.352 -2.254 1.00 0.00 O ATOM 335 CB LEU A 403 3.445 3.923 -0.955 1.00 0.00 C ATOM 336 CG LEU A 403 3.485 5.457 -0.908 1.00 0.00 C ATOM 337 CD1 LEU A 403 2.974 5.920 0.460 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.898 5.985 -1.143 1.00 0.00 C ATOM 0 H LEU A 403 2.448 3.680 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 403 5.100 3.330 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.406 3.614 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 403 3.982 3.549 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 403 2.851 5.851 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 403 2.997 7.009 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 403 1.951 5.572 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.610 5.509 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.891 7.074 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.564 5.598 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.250 5.660 -2.122 1.00 0.00 H new ATOM 350 N PHE A 404 4.629 0.936 -1.607 1.00 0.00 N ATOM 351 CA PHE A 404 4.442 -0.442 -1.160 1.00 0.00 C ATOM 352 C PHE A 404 4.688 -0.514 0.353 1.00 0.00 C ATOM 353 O PHE A 404 5.645 0.065 0.871 1.00 0.00 O ATOM 354 CB PHE A 404 5.358 -1.388 -1.941 1.00 0.00 C ATOM 355 CG PHE A 404 4.881 -1.651 -3.356 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.261 -0.795 -4.408 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.028 -2.741 -3.616 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.794 -1.035 -5.712 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.567 -2.983 -4.922 1.00 0.00 C ATOM 360 CZ PHE A 404 3.951 -2.131 -5.972 1.00 0.00 C ATOM 0 H PHE A 404 5.599 1.243 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 404 3.419 -0.763 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.362 -0.964 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.430 -2.336 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.911 0.045 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.727 -3.393 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.083 -0.376 -6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 404 2.918 -3.823 -5.118 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.600 -2.317 -6.976 1.00 0.00 H new ATOM 370 N ILE A 405 3.780 -1.188 1.058 1.00 0.00 N ATOM 371 CA ILE A 405 3.700 -1.263 2.524 1.00 0.00 C ATOM 372 C ILE A 405 3.874 -2.732 2.927 1.00 0.00 C ATOM 373 O ILE A 405 3.268 -3.611 2.320 1.00 0.00 O ATOM 374 CB ILE A 405 2.342 -0.706 3.033 1.00 0.00 C ATOM 375 CG1 ILE A 405 2.072 0.799 2.781 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.235 -0.897 4.560 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.936 1.266 1.330 1.00 0.00 C ATOM 0 H ILE A 405 3.041 -1.725 0.603 1.00 0.00 H new ATOM 0 HA ILE A 405 4.484 -0.654 2.975 1.00 0.00 H new ATOM 0 HB ILE A 405 1.612 -1.272 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.156 1.068 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.881 1.366 3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.280 -0.504 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.300 -1.958 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 405 3.049 -0.364 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.749 2.340 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.857 1.047 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 405 1.105 0.744 0.856 1.00 0.00 H new ATOM 389 N TYR A 406 4.673 -2.998 3.956 1.00 0.00 N ATOM 390 CA TYR A 406 5.046 -4.343 4.412 1.00 0.00 C ATOM 391 C TYR A 406 4.924 -4.500 5.941 1.00 0.00 C ATOM 392 O TYR A 406 4.894 -3.517 6.684 1.00 0.00 O ATOM 393 CB TYR A 406 6.483 -4.652 3.958 1.00 0.00 C ATOM 394 CG TYR A 406 6.760 -4.477 2.475 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.580 -5.559 1.591 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.229 -3.242 1.984 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.868 -5.409 0.221 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.523 -3.085 0.616 1.00 0.00 C ATOM 399 CZ TYR A 406 7.348 -4.174 -0.270 1.00 0.00 C ATOM 400 OH TYR A 406 7.647 -4.043 -1.594 1.00 0.00 O ATOM 0 H TYR A 406 5.096 -2.260 4.519 1.00 0.00 H new ATOM 0 HA TYR A 406 4.350 -5.053 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.166 -4.009 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.718 -5.680 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.220 -6.506 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.364 -2.411 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.722 -6.238 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 406 7.881 -2.136 0.244 1.00 0.00 H new ATOM 0 HH TYR A 406 7.963 -3.132 -1.769 1.00 0.00 H new ATOM 410 N HIS A 407 4.851 -5.754 6.398 1.00 0.00 N ATOM 411 CA HIS A 407 4.656 -6.185 7.793 1.00 0.00 C ATOM 412 C HIS A 407 3.257 -5.835 8.357 1.00 0.00 C ATOM 413 O HIS A 407 3.097 -5.598 9.555 1.00 0.00 O ATOM 414 CB HIS A 407 5.824 -5.723 8.684 1.00 0.00 C ATOM 415 CG HIS A 407 7.165 -6.221 8.223 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.577 -7.556 8.215 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.177 -5.440 7.756 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.835 -7.540 7.744 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.225 -6.283 7.462 1.00 0.00 N ATOM 0 H HIS A 407 4.931 -6.550 5.765 1.00 0.00 H new ATOM 0 HA HIS A 407 4.673 -7.275 7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.840 -4.633 8.712 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.650 -6.065 9.704 1.00 0.00 H new ATOM 0 HD2 HIS A 407 8.161 -4.367 7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.450 -8.417 7.610 1.00 0.00 H new ATOM 0 HE2 HIS A 407 10.135 -6.004 7.096 1.00 0.00 H new ATOM 427 N LEU A 408 2.232 -5.795 7.495 1.00 0.00 N ATOM 428 CA LEU A 408 0.836 -5.539 7.890 1.00 0.00 C ATOM 429 C LEU A 408 0.271 -6.702 8.737 1.00 0.00 C ATOM 430 O LEU A 408 0.754 -7.830 8.606 1.00 0.00 O ATOM 431 CB LEU A 408 -0.036 -5.304 6.635 1.00 0.00 C ATOM 432 CG LEU A 408 0.221 -3.967 5.911 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.471 -3.973 4.541 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.309 -2.775 6.724 1.00 0.00 C ATOM 0 H LEU A 408 2.348 -5.941 6.492 1.00 0.00 H new ATOM 0 HA LEU A 408 0.815 -4.641 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.135 -6.120 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.086 -5.348 6.926 1.00 0.00 H new ATOM 0 HG LEU A 408 1.299 -3.860 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.285 -3.025 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.076 -4.790 3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.544 -4.108 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.111 -1.849 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.383 -2.885 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.191 -2.744 7.692 1.00 0.00 H new ATOM 446 N PRO A 409 -0.754 -6.461 9.582 1.00 0.00 N ATOM 447 CA PRO A 409 -1.501 -7.520 10.261 1.00 0.00 C ATOM 448 C PRO A 409 -2.130 -8.508 9.267 1.00 0.00 C ATOM 449 O PRO A 409 -2.480 -8.135 8.148 1.00 0.00 O ATOM 450 CB PRO A 409 -2.576 -6.804 11.090 1.00 0.00 C ATOM 451 CG PRO A 409 -2.002 -5.405 11.298 1.00 0.00 C ATOM 452 CD PRO A 409 -1.250 -5.155 9.995 1.00 0.00 C ATOM 0 HA PRO A 409 -0.843 -8.121 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.530 -6.771 10.565 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.752 -7.310 12.039 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.786 -4.666 11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.339 -5.363 12.163 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -1.906 -4.726 9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.431 -4.451 10.142 1.00 0.00 H new ATOM 460 N GLN A 410 -2.322 -9.761 9.688 1.00 0.00 N ATOM 461 CA GLN A 410 -2.916 -10.830 8.869 1.00 0.00 C ATOM 462 C GLN A 410 -4.426 -10.640 8.609 1.00 0.00 C ATOM 463 O GLN A 410 -4.996 -11.264 7.716 1.00 0.00 O ATOM 464 CB GLN A 410 -2.596 -12.198 9.501 1.00 0.00 C ATOM 465 CG GLN A 410 -3.485 -12.651 10.676 1.00 0.00 C ATOM 466 CD GLN A 410 -3.569 -11.683 11.864 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.631 -10.968 12.205 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.711 -11.594 12.509 1.00 0.00 N ATOM 0 H GLN A 410 -2.065 -10.070 10.625 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.461 -10.782 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.656 -12.955 8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.562 -12.178 9.846 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -4.493 -12.821 10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.114 -13.610 11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.498 -12.182 12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -4.810 -10.937 13.283 1.00 0.00 H new ATOM 477 N GLU A 411 -5.067 -9.758 9.379 1.00 0.00 N ATOM 478 CA GLU A 411 -6.508 -9.459 9.354 1.00 0.00 C ATOM 479 C GLU A 411 -6.870 -8.145 8.637 1.00 0.00 C ATOM 480 O GLU A 411 -8.049 -7.822 8.475 1.00 0.00 O ATOM 481 CB GLU A 411 -7.017 -9.446 10.801 1.00 0.00 C ATOM 482 CG GLU A 411 -6.381 -8.371 11.700 1.00 0.00 C ATOM 483 CD GLU A 411 -6.697 -8.640 13.179 1.00 0.00 C ATOM 484 OE1 GLU A 411 -7.742 -8.159 13.678 1.00 0.00 O ATOM 485 OE2 GLU A 411 -5.895 -9.336 13.848 1.00 0.00 O ATOM 0 H GLU A 411 -4.572 -9.201 10.075 1.00 0.00 H new ATOM 0 HA GLU A 411 -6.996 -10.238 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.097 -9.298 10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.834 -10.425 11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.301 -8.358 11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.754 -7.387 11.417 1.00 0.00 H new ATOM 492 N PHE A 412 -5.857 -7.387 8.213 1.00 0.00 N ATOM 493 CA PHE A 412 -6.002 -6.095 7.532 1.00 0.00 C ATOM 494 C PHE A 412 -6.656 -6.241 6.145 1.00 0.00 C ATOM 495 O PHE A 412 -6.270 -7.107 5.357 1.00 0.00 O ATOM 496 CB PHE A 412 -4.623 -5.411 7.429 1.00 0.00 C ATOM 497 CG PHE A 412 -4.547 -4.033 8.054 1.00 0.00 C ATOM 498 CD1 PHE A 412 -4.807 -3.873 9.429 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.172 -2.918 7.280 1.00 0.00 C ATOM 500 CE1 PHE A 412 -4.693 -2.607 10.027 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.047 -1.654 7.883 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.309 -1.498 9.255 1.00 0.00 C ATOM 0 H PHE A 412 -4.883 -7.662 8.337 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.670 -5.470 8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -3.880 -6.051 7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.350 -5.332 6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.095 -4.726 10.025 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -3.980 -3.034 6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -4.901 -2.486 11.080 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -3.749 -0.801 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.215 -0.526 9.716 1.00 0.00 H new ATOM 512 N GLY A 413 -7.625 -5.373 5.840 1.00 0.00 N ATOM 513 CA GLY A 413 -8.257 -5.243 4.523 1.00 0.00 C ATOM 514 C GLY A 413 -7.912 -3.932 3.818 1.00 0.00 C ATOM 515 O GLY A 413 -7.180 -3.087 4.333 1.00 0.00 O ATOM 0 H GLY A 413 -8.004 -4.720 6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.948 -6.078 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.339 -5.313 4.637 1.00 0.00 H new ATOM 519 N ASP A 414 -8.473 -3.750 2.623 1.00 0.00 N ATOM 520 CA ASP A 414 -8.176 -2.602 1.755 1.00 0.00 C ATOM 521 C ASP A 414 -8.672 -1.266 2.340 1.00 0.00 C ATOM 522 O ASP A 414 -8.036 -0.231 2.144 1.00 0.00 O ATOM 523 CB ASP A 414 -8.797 -2.831 0.371 1.00 0.00 C ATOM 524 CG ASP A 414 -8.438 -4.193 -0.237 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.264 -4.375 -0.628 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.329 -5.071 -0.305 1.00 0.00 O ATOM 0 H ASP A 414 -9.152 -4.398 2.224 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.091 -2.528 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.881 -2.750 0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.466 -2.041 -0.303 1.00 0.00 H new ATOM 531 N GLN A 415 -9.779 -1.297 3.092 1.00 0.00 N ATOM 532 CA GLN A 415 -10.314 -0.145 3.825 1.00 0.00 C ATOM 533 C GLN A 415 -9.468 0.195 5.057 1.00 0.00 C ATOM 534 O GLN A 415 -9.284 1.372 5.361 1.00 0.00 O ATOM 535 CB GLN A 415 -11.761 -0.434 4.262 1.00 0.00 C ATOM 536 CG GLN A 415 -12.771 -0.317 3.108 1.00 0.00 C ATOM 537 CD GLN A 415 -13.033 1.124 2.650 1.00 0.00 C ATOM 538 OE1 GLN A 415 -12.555 2.101 3.215 1.00 0.00 O ATOM 539 NE2 GLN A 415 -13.814 1.318 1.608 1.00 0.00 N ATOM 0 H GLN A 415 -10.339 -2.142 3.210 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.287 0.713 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.814 -1.438 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.041 0.260 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.406 -0.896 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -13.715 -0.766 3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.223 0.520 1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -14.010 2.266 1.287 1.00 0.00 H new ATOM 548 N ASP A 416 -8.919 -0.812 5.743 1.00 0.00 N ATOM 549 CA ASP A 416 -8.031 -0.603 6.892 1.00 0.00 C ATOM 550 C ASP A 416 -6.733 0.093 6.460 1.00 0.00 C ATOM 551 O ASP A 416 -6.291 1.037 7.118 1.00 0.00 O ATOM 552 CB ASP A 416 -7.714 -1.933 7.592 1.00 0.00 C ATOM 553 CG ASP A 416 -8.965 -2.636 8.131 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.550 -2.153 9.130 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.342 -3.686 7.559 1.00 0.00 O ATOM 0 H ASP A 416 -9.077 -1.794 5.518 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.551 0.042 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.205 -2.595 6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.024 -1.749 8.415 1.00 0.00 H new ATOM 560 N LEU A 417 -6.164 -0.313 5.316 1.00 0.00 N ATOM 561 CA LEU A 417 -4.993 0.339 4.738 1.00 0.00 C ATOM 562 C LEU A 417 -5.319 1.739 4.204 1.00 0.00 C ATOM 563 O LEU A 417 -4.555 2.668 4.462 1.00 0.00 O ATOM 564 CB LEU A 417 -4.377 -0.576 3.663 1.00 0.00 C ATOM 565 CG LEU A 417 -2.977 -0.117 3.204 1.00 0.00 C ATOM 566 CD1 LEU A 417 -1.964 -0.164 4.357 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.491 -1.013 2.059 1.00 0.00 C ATOM 0 H LEU A 417 -6.507 -1.103 4.770 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.252 0.493 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.309 -1.591 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.042 -0.611 2.800 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.056 0.915 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -0.989 0.166 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.296 0.493 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -1.887 -1.185 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.502 -0.687 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.438 -2.046 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.187 -0.944 1.223 1.00 0.00 H new ATOM 579 N LEU A 418 -6.460 1.920 3.524 1.00 0.00 N ATOM 580 CA LEU A 418 -6.907 3.228 3.033 1.00 0.00 C ATOM 581 C LEU A 418 -7.064 4.233 4.177 1.00 0.00 C ATOM 582 O LEU A 418 -6.483 5.316 4.133 1.00 0.00 O ATOM 583 CB LEU A 418 -8.233 3.065 2.259 1.00 0.00 C ATOM 584 CG LEU A 418 -8.860 4.398 1.800 1.00 0.00 C ATOM 585 CD1 LEU A 418 -7.922 5.210 0.896 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.180 4.145 1.066 1.00 0.00 C ATOM 0 H LEU A 418 -7.100 1.159 3.299 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.146 3.623 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.057 2.438 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -8.948 2.538 2.891 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.042 4.983 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.413 6.138 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.004 5.441 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.682 4.629 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.608 5.096 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -9.996 3.521 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -10.876 3.638 1.734 1.00 0.00 H new ATOM 598 N GLN A 419 -7.850 3.893 5.197 1.00 0.00 N ATOM 599 CA GLN A 419 -8.230 4.842 6.245 1.00 0.00 C ATOM 600 C GLN A 419 -7.085 5.111 7.238 1.00 0.00 C ATOM 601 O GLN A 419 -7.107 6.128 7.931 1.00 0.00 O ATOM 602 CB GLN A 419 -9.533 4.380 6.920 1.00 0.00 C ATOM 603 CG GLN A 419 -10.704 4.386 5.914 1.00 0.00 C ATOM 604 CD GLN A 419 -12.057 4.016 6.523 1.00 0.00 C ATOM 605 OE1 GLN A 419 -12.376 4.320 7.669 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.928 3.373 5.774 1.00 0.00 N ATOM 0 H GLN A 419 -8.240 2.959 5.321 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.426 5.810 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.402 3.377 7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.765 5.036 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.779 5.377 5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.479 3.688 5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.684 3.111 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.847 3.137 6.149 1.00 0.00 H new ATOM 615 N MET A 420 -6.043 4.267 7.251 1.00 0.00 N ATOM 616 CA MET A 420 -4.787 4.520 7.968 1.00 0.00 C ATOM 617 C MET A 420 -3.835 5.454 7.192 1.00 0.00 C ATOM 618 O MET A 420 -2.977 6.088 7.806 1.00 0.00 O ATOM 619 CB MET A 420 -4.129 3.171 8.307 1.00 0.00 C ATOM 620 CG MET A 420 -2.944 3.331 9.266 1.00 0.00 C ATOM 621 SD MET A 420 -2.391 1.803 10.069 1.00 0.00 S ATOM 622 CE MET A 420 -1.580 0.973 8.682 1.00 0.00 C ATOM 0 H MET A 420 -6.051 3.376 6.755 1.00 0.00 H new ATOM 0 HA MET A 420 -5.014 5.052 8.892 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.870 2.509 8.755 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.789 2.693 7.388 1.00 0.00 H new ATOM 0 HG2 MET A 420 -2.106 3.757 8.715 1.00 0.00 H new ATOM 0 HG3 MET A 420 -3.216 4.051 10.038 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.342 -0.053 8.961 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.247 0.969 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 420 -0.662 1.502 8.428 1.00 0.00 H new ATOM 632 N PHE A 421 -4.005 5.583 5.868 1.00 0.00 N ATOM 633 CA PHE A 421 -3.171 6.402 4.974 1.00 0.00 C ATOM 634 C PHE A 421 -3.849 7.708 4.503 1.00 0.00 C ATOM 635 O PHE A 421 -3.158 8.642 4.090 1.00 0.00 O ATOM 636 CB PHE A 421 -2.642 5.526 3.822 1.00 0.00 C ATOM 637 CG PHE A 421 -1.392 4.723 4.172 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.431 3.705 5.146 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.164 5.015 3.540 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.260 3.009 5.498 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.008 4.323 3.894 1.00 0.00 C ATOM 642 CZ PHE A 421 0.962 3.325 4.881 1.00 0.00 C ATOM 0 H PHE A 421 -4.755 5.102 5.371 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.317 6.763 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.428 4.837 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.423 6.164 2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.366 3.457 5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.124 5.778 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.301 2.230 6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.943 4.559 3.407 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.863 2.802 5.165 1.00 0.00 H new ATOM 652 N MET A 422 -5.173 7.847 4.657 1.00 0.00 N ATOM 653 CA MET A 422 -5.920 9.100 4.482 1.00 0.00 C ATOM 654 C MET A 422 -5.327 10.345 5.193 1.00 0.00 C ATOM 655 O MET A 422 -5.403 11.422 4.594 1.00 0.00 O ATOM 656 CB MET A 422 -7.357 8.881 4.978 1.00 0.00 C ATOM 657 CG MET A 422 -8.293 8.284 3.927 1.00 0.00 C ATOM 658 SD MET A 422 -9.946 8.007 4.616 1.00 0.00 S ATOM 659 CE MET A 422 -10.848 7.529 3.126 1.00 0.00 C ATOM 0 H MET A 422 -5.773 7.064 4.915 1.00 0.00 H new ATOM 0 HA MET A 422 -5.867 9.328 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.334 8.222 5.846 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.764 9.835 5.313 1.00 0.00 H new ATOM 0 HG2 MET A 422 -8.359 8.955 3.070 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.884 7.342 3.563 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.676 6.874 3.396 1.00 0.00 H new ATOM 0 HE2 MET A 422 -11.236 8.421 2.634 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.176 7.004 2.447 1.00 0.00 H new ATOM 669 N PRO A 423 -4.745 10.262 6.415 1.00 0.00 N ATOM 670 CA PRO A 423 -4.226 11.432 7.134 1.00 0.00 C ATOM 671 C PRO A 423 -3.082 12.188 6.439 1.00 0.00 C ATOM 672 O PRO A 423 -2.815 13.332 6.807 1.00 0.00 O ATOM 673 CB PRO A 423 -3.765 10.913 8.501 1.00 0.00 C ATOM 674 CG PRO A 423 -4.641 9.685 8.726 1.00 0.00 C ATOM 675 CD PRO A 423 -4.750 9.115 7.317 1.00 0.00 C ATOM 0 HA PRO A 423 -5.023 12.174 7.192 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.706 10.656 8.497 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.909 11.658 9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.184 8.978 9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.616 9.948 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.917 8.446 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.664 8.533 7.202 1.00 0.00 H new ATOM 683 N PHE A 424 -2.413 11.578 5.451 1.00 0.00 N ATOM 684 CA PHE A 424 -1.224 12.142 4.794 1.00 0.00 C ATOM 685 C PHE A 424 -1.535 12.817 3.446 1.00 0.00 C ATOM 686 O PHE A 424 -0.678 13.504 2.886 1.00 0.00 O ATOM 687 CB PHE A 424 -0.165 11.036 4.661 1.00 0.00 C ATOM 688 CG PHE A 424 -0.032 10.187 5.912 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.292 10.786 7.145 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.350 8.818 5.869 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.275 10.026 8.327 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.345 8.052 7.047 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.047 8.659 8.278 1.00 0.00 C ATOM 0 H PHE A 424 -2.685 10.668 5.080 1.00 0.00 H new ATOM 0 HA PHE A 424 -0.835 12.946 5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.422 10.394 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.799 11.490 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.554 11.833 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.599 8.353 4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.509 10.492 9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.570 6.997 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.065 8.075 9.187 1.00 0.00 H new ATOM 703 N GLY A 425 -2.772 12.666 2.957 1.00 0.00 N ATOM 704 CA GLY A 425 -3.317 13.375 1.792 1.00 0.00 C ATOM 705 C GLY A 425 -4.346 12.578 0.991 1.00 0.00 C ATOM 706 O GLY A 425 -4.856 11.547 1.431 1.00 0.00 O ATOM 0 H GLY A 425 -3.445 12.024 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.778 14.303 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.494 13.649 1.132 1.00 0.00 H new ATOM 710 N ASN A 426 -4.663 13.074 -0.205 1.00 0.00 N ATOM 711 CA ASN A 426 -5.674 12.507 -1.099 1.00 0.00 C ATOM 712 C ASN A 426 -5.195 11.217 -1.803 1.00 0.00 C ATOM 713 O ASN A 426 -4.501 11.250 -2.823 1.00 0.00 O ATOM 714 CB ASN A 426 -6.211 13.591 -2.056 1.00 0.00 C ATOM 715 CG ASN A 426 -5.183 14.320 -2.929 1.00 0.00 C ATOM 716 OD1 ASN A 426 -3.983 14.351 -2.673 1.00 0.00 O ATOM 717 ND2 ASN A 426 -5.650 14.967 -3.982 1.00 0.00 N ATOM 0 H ASN A 426 -4.212 13.904 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.520 12.176 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.946 13.128 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -6.740 14.336 -1.461 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -5.013 15.492 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.647 14.942 -4.195 1.00 0.00 H new ATOM 724 N VAL A 427 -5.584 10.069 -1.238 1.00 0.00 N ATOM 725 CA VAL A 427 -5.291 8.717 -1.752 1.00 0.00 C ATOM 726 C VAL A 427 -6.126 8.434 -3.016 1.00 0.00 C ATOM 727 O VAL A 427 -7.334 8.664 -3.037 1.00 0.00 O ATOM 728 CB VAL A 427 -5.554 7.633 -0.673 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.219 6.228 -1.193 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.728 7.854 0.607 1.00 0.00 C ATOM 0 H VAL A 427 -6.132 10.050 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.233 8.677 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.616 7.717 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.415 5.494 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.837 6.005 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.167 6.186 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.953 7.066 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.666 7.830 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.979 8.822 1.040 1.00 0.00 H new ATOM 740 N VAL A 428 -5.467 7.916 -4.055 1.00 0.00 N ATOM 741 CA VAL A 428 -6.038 7.493 -5.351 1.00 0.00 C ATOM 742 C VAL A 428 -6.336 5.984 -5.367 1.00 0.00 C ATOM 743 O VAL A 428 -7.343 5.565 -5.937 1.00 0.00 O ATOM 744 CB VAL A 428 -5.062 7.864 -6.501 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.376 7.184 -7.846 1.00 0.00 C ATOM 746 CG2 VAL A 428 -5.054 9.388 -6.710 1.00 0.00 C ATOM 0 H VAL A 428 -4.458 7.769 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.982 8.018 -5.496 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.086 7.498 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.646 7.499 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.329 6.102 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.376 7.470 -8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.367 9.641 -7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -6.058 9.725 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.731 9.879 -5.792 1.00 0.00 H new ATOM 756 N SER A 429 -5.499 5.178 -4.708 1.00 0.00 N ATOM 757 CA SER A 429 -5.618 3.715 -4.629 1.00 0.00 C ATOM 758 C SER A 429 -5.026 3.189 -3.319 1.00 0.00 C ATOM 759 O SER A 429 -4.044 3.741 -2.821 1.00 0.00 O ATOM 760 CB SER A 429 -4.884 3.048 -5.797 1.00 0.00 C ATOM 761 OG SER A 429 -5.600 3.183 -7.009 1.00 0.00 O ATOM 0 H SER A 429 -4.692 5.536 -4.197 1.00 0.00 H new ATOM 0 HA SER A 429 -6.680 3.472 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 429 -3.895 3.493 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 429 -4.736 1.991 -5.578 1.00 0.00 H new ATOM 0 HG SER A 429 -5.044 2.873 -7.754 1.00 0.00 H new ATOM 767 N ALA A 430 -5.598 2.106 -2.787 1.00 0.00 N ATOM 768 CA ALA A 430 -5.145 1.399 -1.590 1.00 0.00 C ATOM 769 C ALA A 430 -5.562 -0.077 -1.687 1.00 0.00 C ATOM 770 O ALA A 430 -6.697 -0.387 -2.047 1.00 0.00 O ATOM 771 CB ALA A 430 -5.736 2.081 -0.353 1.00 0.00 C ATOM 0 H ALA A 430 -6.428 1.680 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.059 1.434 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.403 1.559 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.402 3.118 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.824 2.052 -0.406 1.00 0.00 H new ATOM 777 N LYS A 431 -4.650 -0.996 -1.379 1.00 0.00 N ATOM 778 CA LYS A 431 -4.824 -2.424 -1.657 1.00 0.00 C ATOM 779 C LYS A 431 -4.003 -3.297 -0.695 1.00 0.00 C ATOM 780 O LYS A 431 -2.829 -3.015 -0.467 1.00 0.00 O ATOM 781 CB LYS A 431 -4.364 -2.648 -3.116 1.00 0.00 C ATOM 782 CG LYS A 431 -4.636 -4.038 -3.713 1.00 0.00 C ATOM 783 CD LYS A 431 -6.105 -4.223 -4.117 1.00 0.00 C ATOM 784 CE LYS A 431 -6.273 -5.504 -4.945 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.663 -5.661 -5.451 1.00 0.00 N ATOM 0 H LYS A 431 -3.764 -0.772 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.866 -2.711 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -4.852 -1.904 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.292 -2.457 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.000 -4.186 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.363 -4.803 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.731 -4.273 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.442 -3.362 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -5.581 -5.485 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.009 -6.368 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.649 -6.194 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.232 -6.176 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.081 -4.723 -5.614 1.00 0.00 H new ATOM 799 N VAL A 432 -4.581 -4.378 -0.179 1.00 0.00 N ATOM 800 CA VAL A 432 -3.886 -5.435 0.576 1.00 0.00 C ATOM 801 C VAL A 432 -3.921 -6.712 -0.262 1.00 0.00 C ATOM 802 O VAL A 432 -4.974 -7.092 -0.775 1.00 0.00 O ATOM 803 CB VAL A 432 -4.529 -5.690 1.958 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.796 -6.817 2.713 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.505 -4.429 2.836 1.00 0.00 C ATOM 0 H VAL A 432 -5.581 -4.555 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.861 -5.116 0.764 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.562 -5.980 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.270 -6.974 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.846 -7.737 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.753 -6.537 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.966 -4.648 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.473 -4.113 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.059 -3.631 2.342 1.00 0.00 H new ATOM 815 N PHE A 433 -2.769 -7.370 -0.401 1.00 0.00 N ATOM 816 CA PHE A 433 -2.661 -8.649 -1.100 1.00 0.00 C ATOM 817 C PHE A 433 -3.134 -9.778 -0.171 1.00 0.00 C ATOM 818 O PHE A 433 -2.688 -9.886 0.970 1.00 0.00 O ATOM 819 CB PHE A 433 -1.225 -8.814 -1.618 1.00 0.00 C ATOM 820 CG PHE A 433 -0.840 -7.726 -2.611 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.340 -7.761 -3.927 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.031 -6.646 -2.208 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.035 -6.724 -4.829 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.279 -5.611 -3.109 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.226 -5.649 -4.420 1.00 0.00 C ATOM 0 H PHE A 433 -1.882 -7.029 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.310 -8.688 -1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.533 -8.796 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.123 -9.789 -2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -1.960 -8.586 -4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.354 -6.612 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.423 -6.754 -5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.904 -4.789 -2.794 1.00 0.00 H new ATOM 0 HZ PHE A 433 0.007 -4.854 -5.112 1.00 0.00 H new ATOM 963 N LYS A 442 -1.548 -11.254 3.223 1.00 0.00 N ATOM 964 CA LYS A 442 -0.177 -11.742 3.047 1.00 0.00 C ATOM 965 C LYS A 442 0.879 -10.880 3.781 1.00 0.00 C ATOM 966 O LYS A 442 2.082 -11.079 3.595 1.00 0.00 O ATOM 967 CB LYS A 442 0.108 -11.875 1.537 1.00 0.00 C ATOM 968 CG LYS A 442 -0.741 -12.980 0.885 1.00 0.00 C ATOM 969 CD LYS A 442 -0.451 -13.092 -0.620 1.00 0.00 C ATOM 970 CE LYS A 442 -1.167 -14.303 -1.237 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.516 -15.588 -0.867 1.00 0.00 N ATOM 0 HA LYS A 442 -0.094 -12.722 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.095 -10.924 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.165 -12.093 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.534 -13.934 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.799 -12.767 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.773 -12.181 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.623 -13.182 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -2.206 -14.316 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.178 -14.202 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.979 -16.370 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 0.490 -15.555 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 -0.603 -15.739 0.158 1.00 0.00 H new ATOM 985 N CYS A 443 0.428 -9.905 4.582 1.00 0.00 N ATOM 986 CA CYS A 443 1.210 -8.960 5.391 1.00 0.00 C ATOM 987 C CYS A 443 1.869 -7.848 4.552 1.00 0.00 C ATOM 988 O CYS A 443 2.803 -7.200 5.025 1.00 0.00 O ATOM 989 CB CYS A 443 2.208 -9.683 6.319 1.00 0.00 C ATOM 990 SG CYS A 443 1.406 -11.034 7.241 1.00 0.00 S ATOM 0 H CYS A 443 -0.573 -9.744 4.690 1.00 0.00 H new ATOM 0 HA CYS A 443 0.498 -8.448 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 443 3.031 -10.084 5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.638 -8.968 7.020 1.00 0.00 H new ATOM 0 HG CYS A 443 2.281 -11.616 8.007 1.00 0.00 H new ATOM 996 N PHE A 444 1.389 -7.597 3.328 1.00 0.00 N ATOM 997 CA PHE A 444 1.871 -6.509 2.476 1.00 0.00 C ATOM 998 C PHE A 444 0.767 -5.963 1.558 1.00 0.00 C ATOM 999 O PHE A 444 -0.248 -6.619 1.308 1.00 0.00 O ATOM 1000 CB PHE A 444 3.139 -6.925 1.702 1.00 0.00 C ATOM 1001 CG PHE A 444 2.924 -7.756 0.449 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.551 -9.110 0.538 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.129 -7.174 -0.819 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.374 -9.873 -0.630 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.956 -7.939 -1.985 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.573 -9.288 -1.892 1.00 0.00 C ATOM 0 H PHE A 444 0.647 -8.151 2.899 1.00 0.00 H new ATOM 0 HA PHE A 444 2.155 -5.682 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.681 -6.021 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.783 -7.487 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.400 -9.564 1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.420 -6.137 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.084 -10.911 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.118 -7.490 -2.954 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.432 -9.874 -2.788 1.00 0.00 H new ATOM 1016 N GLY A 445 0.968 -4.730 1.095 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.004 -3.928 0.356 1.00 0.00 C ATOM 1018 C GLY A 445 0.629 -2.815 -0.478 1.00 0.00 C ATOM 1019 O GLY A 445 1.850 -2.657 -0.528 1.00 0.00 O ATOM 0 H GLY A 445 1.853 -4.242 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.577 -4.582 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.709 -3.487 1.060 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.229 -2.033 -1.127 1.00 0.00 N ATOM 1024 CA PHE A 446 0.110 -0.921 -2.011 1.00 0.00 C ATOM 1025 C PHE A 446 -0.820 0.270 -1.738 1.00 0.00 C ATOM 1026 O PHE A 446 -1.995 0.078 -1.431 1.00 0.00 O ATOM 1027 CB PHE A 446 0.001 -1.402 -3.467 1.00 0.00 C ATOM 1028 CG PHE A 446 0.192 -0.309 -4.503 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.488 0.118 -4.842 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.924 0.303 -5.109 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.676 1.146 -5.782 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.737 1.331 -6.051 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.562 1.749 -6.389 1.00 0.00 C ATOM 0 H PHE A 446 -1.237 -2.166 -1.046 1.00 0.00 H new ATOM 0 HA PHE A 446 1.131 -0.586 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.745 -2.181 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.978 -1.858 -3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.345 -0.347 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.922 -0.017 -4.850 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.674 1.471 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.592 1.800 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.704 2.535 -7.116 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.303 1.493 -1.869 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.057 2.755 -1.732 1.00 0.00 C ATOM 1045 C VAL A 447 -0.512 3.760 -2.749 1.00 0.00 C ATOM 1046 O VAL A 447 0.690 3.793 -2.991 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.977 3.340 -0.294 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.733 4.674 -0.148 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.546 2.379 0.766 1.00 0.00 C ATOM 0 H VAL A 447 0.683 1.645 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.110 2.550 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 447 0.089 3.497 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.642 5.034 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.307 5.410 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.786 4.524 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.466 2.836 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.593 2.173 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.982 1.446 0.752 1.00 0.00 H new ATOM 1059 N SER A 448 -1.361 4.601 -3.336 1.00 0.00 N ATOM 1060 CA SER A 448 -0.921 5.686 -4.226 1.00 0.00 C ATOM 1061 C SER A 448 -1.781 6.945 -4.071 1.00 0.00 C ATOM 1062 O SER A 448 -2.985 6.860 -3.827 1.00 0.00 O ATOM 1063 CB SER A 448 -0.904 5.203 -5.688 1.00 0.00 C ATOM 1064 OG SER A 448 -0.176 6.066 -6.555 1.00 0.00 O ATOM 0 H SER A 448 -2.372 4.554 -3.212 1.00 0.00 H new ATOM 0 HA SER A 448 0.093 5.961 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.468 4.205 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 448 -1.929 5.118 -6.048 1.00 0.00 H new ATOM 0 HG SER A 448 0.475 6.581 -6.033 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.159 8.117 -4.214 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.748 9.447 -4.011 1.00 0.00 C ATOM 1072 C TYR A 449 -1.811 10.260 -5.314 1.00 0.00 C ATOM 1073 O TYR A 449 -1.154 9.938 -6.302 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.907 10.218 -2.981 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.944 9.668 -1.572 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.140 8.568 -1.217 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.784 10.266 -0.612 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.169 8.073 0.098 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.815 9.776 0.705 1.00 0.00 C ATOM 1080 CZ TYR A 449 -1.006 8.676 1.059 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.048 8.171 2.316 1.00 0.00 O ATOM 0 H TYR A 449 -0.178 8.169 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.769 9.306 -3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.129 10.233 -3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -1.250 11.253 -2.958 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.499 8.105 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.406 11.104 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.450 7.231 0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.455 10.239 1.442 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.873 8.462 2.758 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.554 11.369 -5.298 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.610 12.328 -6.411 1.00 0.00 C ATOM 1093 C ASP A 450 -1.298 13.123 -6.601 1.00 0.00 C ATOM 1094 O ASP A 450 -1.078 13.691 -7.670 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.790 13.271 -6.152 1.00 0.00 C ATOM 1096 CG ASP A 450 -4.085 14.236 -7.311 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.365 13.760 -8.438 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.094 15.467 -7.071 1.00 0.00 O ATOM 0 H ASP A 450 -3.140 11.632 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.745 11.775 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.681 12.675 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.587 13.852 -5.252 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.413 13.139 -5.591 1.00 0.00 N ATOM 1104 CA ASN A 451 0.856 13.885 -5.593 1.00 0.00 C ATOM 1105 C ASN A 451 1.979 13.129 -4.843 1.00 0.00 C ATOM 1106 O ASN A 451 1.689 12.445 -3.853 1.00 0.00 O ATOM 1107 CB ASN A 451 0.668 15.270 -4.945 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.451 16.100 -5.566 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.282 16.724 -6.608 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.610 16.149 -4.933 1.00 0.00 N ATOM 0 H ASN A 451 -0.565 12.619 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 451 1.153 13.996 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.461 15.138 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.603 15.825 -5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.374 16.709 -5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.741 15.626 -4.067 1.00 0.00 H new ATOM 1117 N PRO A 452 3.264 13.295 -5.236 1.00 0.00 N ATOM 1118 CA PRO A 452 4.409 12.672 -4.562 1.00 0.00 C ATOM 1119 C PRO A 452 4.622 13.167 -3.127 1.00 0.00 C ATOM 1120 O PRO A 452 5.142 12.433 -2.297 1.00 0.00 O ATOM 1121 CB PRO A 452 5.646 12.994 -5.413 1.00 0.00 C ATOM 1122 CG PRO A 452 5.095 13.517 -6.736 1.00 0.00 C ATOM 1123 CD PRO A 452 3.724 14.077 -6.374 1.00 0.00 C ATOM 0 HA PRO A 452 4.225 11.601 -4.475 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.276 13.739 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.261 12.107 -5.565 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.740 14.286 -7.160 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.017 12.722 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.788 15.135 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.033 13.991 -7.212 1.00 0.00 H new ATOM 1131 N VAL A 453 4.214 14.401 -2.820 1.00 0.00 N ATOM 1132 CA VAL A 453 4.411 15.028 -1.498 1.00 0.00 C ATOM 1133 C VAL A 453 3.480 14.402 -0.450 1.00 0.00 C ATOM 1134 O VAL A 453 3.922 14.103 0.657 1.00 0.00 O ATOM 1135 CB VAL A 453 4.228 16.564 -1.568 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.452 17.240 -0.203 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.200 17.185 -2.591 1.00 0.00 C ATOM 0 H VAL A 453 3.731 15.005 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 453 5.439 14.837 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 453 3.197 16.737 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.313 18.316 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.737 16.847 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.466 17.036 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.053 18.265 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.227 16.967 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.008 16.763 -3.578 1.00 0.00 H new ATOM 1147 N SER A 454 2.225 14.112 -0.811 1.00 0.00 N ATOM 1148 CA SER A 454 1.279 13.371 0.043 1.00 0.00 C ATOM 1149 C SER A 454 1.768 11.942 0.332 1.00 0.00 C ATOM 1150 O SER A 454 1.581 11.412 1.427 1.00 0.00 O ATOM 1151 CB SER A 454 -0.086 13.294 -0.655 1.00 0.00 C ATOM 1152 OG SER A 454 -0.540 14.575 -1.080 1.00 0.00 O ATOM 0 H SER A 454 1.830 14.386 -1.711 1.00 0.00 H new ATOM 0 HA SER A 454 1.200 13.905 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.016 12.630 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.817 12.857 0.025 1.00 0.00 H new ATOM 0 HG SER A 454 -1.410 14.484 -1.521 1.00 0.00 H new ATOM 1158 N ALA A 455 2.459 11.340 -0.642 1.00 0.00 N ATOM 1159 CA ALA A 455 3.047 10.010 -0.543 1.00 0.00 C ATOM 1160 C ALA A 455 4.305 9.998 0.344 1.00 0.00 C ATOM 1161 O ALA A 455 4.407 9.184 1.259 1.00 0.00 O ATOM 1162 CB ALA A 455 3.315 9.549 -1.979 1.00 0.00 C ATOM 0 H ALA A 455 2.627 11.782 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 455 2.369 9.315 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.758 8.553 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.377 9.521 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.001 10.244 -2.462 1.00 0.00 H new ATOM 1168 N GLN A 456 5.231 10.941 0.144 1.00 0.00 N ATOM 1169 CA GLN A 456 6.432 11.106 0.974 1.00 0.00 C ATOM 1170 C GLN A 456 6.083 11.412 2.439 1.00 0.00 C ATOM 1171 O GLN A 456 6.765 10.933 3.347 1.00 0.00 O ATOM 1172 CB GLN A 456 7.307 12.229 0.388 1.00 0.00 C ATOM 1173 CG GLN A 456 8.071 11.816 -0.885 1.00 0.00 C ATOM 1174 CD GLN A 456 9.298 10.935 -0.626 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.531 10.415 0.459 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.146 10.740 -1.614 1.00 0.00 N ATOM 0 H GLN A 456 5.167 11.623 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 456 6.981 10.165 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.676 13.088 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.024 12.551 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.389 11.283 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.389 12.716 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.973 11.163 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.976 10.166 -1.468 1.00 0.00 H new ATOM 1185 N ALA A 457 5.001 12.158 2.689 1.00 0.00 N ATOM 1186 CA ALA A 457 4.482 12.402 4.036 1.00 0.00 C ATOM 1187 C ALA A 457 3.977 11.120 4.722 1.00 0.00 C ATOM 1188 O ALA A 457 4.081 11.005 5.944 1.00 0.00 O ATOM 1189 CB ALA A 457 3.376 13.459 3.942 1.00 0.00 C ATOM 0 H ALA A 457 4.458 12.612 1.955 1.00 0.00 H new ATOM 0 HA ALA A 457 5.296 12.765 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.975 13.656 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.787 14.380 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.578 13.094 3.295 1.00 0.00 H new ATOM 1195 N ALA A 458 3.494 10.135 3.954 1.00 0.00 N ATOM 1196 CA ALA A 458 3.082 8.838 4.481 1.00 0.00 C ATOM 1197 C ALA A 458 4.296 7.963 4.808 1.00 0.00 C ATOM 1198 O ALA A 458 4.332 7.377 5.885 1.00 0.00 O ATOM 1199 CB ALA A 458 2.135 8.166 3.485 1.00 0.00 C ATOM 0 H ALA A 458 3.379 10.221 2.944 1.00 0.00 H new ATOM 0 HA ALA A 458 2.546 8.981 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.825 7.197 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.257 8.795 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.647 8.027 2.533 1.00 0.00 H new ATOM 1205 N ILE A 459 5.333 7.932 3.956 1.00 0.00 N ATOM 1206 CA ILE A 459 6.582 7.192 4.253 1.00 0.00 C ATOM 1207 C ILE A 459 7.206 7.703 5.558 1.00 0.00 C ATOM 1208 O ILE A 459 7.537 6.910 6.437 1.00 0.00 O ATOM 1209 CB ILE A 459 7.609 7.266 3.096 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.984 6.856 1.747 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.822 6.362 3.413 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.955 6.962 0.567 1.00 0.00 C ATOM 0 H ILE A 459 5.337 8.409 3.054 1.00 0.00 H new ATOM 0 HA ILE A 459 6.311 6.142 4.368 1.00 0.00 H new ATOM 0 HB ILE A 459 7.936 8.302 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.623 5.830 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.116 7.486 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.541 6.418 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.295 6.698 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.487 5.332 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.449 6.658 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.297 7.992 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.812 6.311 0.741 1.00 0.00 H new ATOM 1224 N GLN A 460 7.301 9.026 5.713 1.00 0.00 N ATOM 1225 CA GLN A 460 7.890 9.673 6.891 1.00 0.00 C ATOM 1226 C GLN A 460 7.035 9.523 8.165 1.00 0.00 C ATOM 1227 O GLN A 460 7.540 9.749 9.265 1.00 0.00 O ATOM 1228 CB GLN A 460 8.138 11.157 6.574 1.00 0.00 C ATOM 1229 CG GLN A 460 9.268 11.357 5.550 1.00 0.00 C ATOM 1230 CD GLN A 460 9.328 12.804 5.060 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.117 13.622 5.518 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.483 13.172 4.119 1.00 0.00 N ATOM 0 H GLN A 460 6.966 9.689 5.014 1.00 0.00 H new ATOM 0 HA GLN A 460 8.831 9.167 7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.220 11.602 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.387 11.686 7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.222 11.084 6.001 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.114 10.690 4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.823 12.496 3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.488 14.133 3.776 1.00 0.00 H new ATOM 1241 N SER A 461 5.767 9.118 8.048 1.00 0.00 N ATOM 1242 CA SER A 461 4.864 8.899 9.191 1.00 0.00 C ATOM 1243 C SER A 461 4.637 7.415 9.532 1.00 0.00 C ATOM 1244 O SER A 461 4.362 7.093 10.691 1.00 0.00 O ATOM 1245 CB SER A 461 3.504 9.558 8.915 1.00 0.00 C ATOM 1246 OG SER A 461 3.626 10.959 8.710 1.00 0.00 O ATOM 0 H SER A 461 5.329 8.929 7.146 1.00 0.00 H new ATOM 0 HA SER A 461 5.356 9.352 10.052 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.051 9.101 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.833 9.371 9.753 1.00 0.00 H new ATOM 0 HG SER A 461 3.810 11.136 7.764 1.00 0.00 H new ATOM 1252 N MET A 462 4.771 6.510 8.552 1.00 0.00 N ATOM 1253 CA MET A 462 4.363 5.100 8.661 1.00 0.00 C ATOM 1254 C MET A 462 5.507 4.088 8.589 1.00 0.00 C ATOM 1255 O MET A 462 5.342 2.958 9.047 1.00 0.00 O ATOM 1256 CB MET A 462 3.323 4.778 7.579 1.00 0.00 C ATOM 1257 CG MET A 462 2.064 5.650 7.694 1.00 0.00 C ATOM 1258 SD MET A 462 1.262 5.663 9.322 1.00 0.00 S ATOM 1259 CE MET A 462 0.643 3.974 9.372 1.00 0.00 C ATOM 0 H MET A 462 5.174 6.741 7.644 1.00 0.00 H new ATOM 0 HA MET A 462 3.942 4.995 9.661 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.771 4.920 6.596 1.00 0.00 H new ATOM 0 HB3 MET A 462 3.041 3.728 7.652 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.329 6.674 7.432 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.339 5.309 6.955 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.134 3.894 10.132 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.228 3.710 8.400 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.460 3.294 9.614 1.00 0.00 H new ATOM 1269 N ASN A 463 6.675 4.459 8.063 1.00 0.00 N ATOM 1270 CA ASN A 463 7.837 3.573 8.064 1.00 0.00 C ATOM 1271 C ASN A 463 8.393 3.425 9.497 1.00 0.00 C ATOM 1272 O ASN A 463 8.911 4.383 10.076 1.00 0.00 O ATOM 1273 CB ASN A 463 8.868 4.104 7.060 1.00 0.00 C ATOM 1274 CG ASN A 463 9.986 3.098 6.832 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.737 1.984 6.386 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.224 3.441 7.135 1.00 0.00 N ATOM 0 H ASN A 463 6.840 5.368 7.631 1.00 0.00 H new ATOM 0 HA ASN A 463 7.559 2.569 7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.376 4.325 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.288 5.040 7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.985 2.776 6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.419 4.371 7.506 1.00 0.00 H new ATOM 1283 N GLY A 464 8.239 2.232 10.085 1.00 0.00 N ATOM 1284 CA GLY A 464 8.540 1.921 11.492 1.00 0.00 C ATOM 1285 C GLY A 464 7.346 2.041 12.449 1.00 0.00 C ATOM 1286 O GLY A 464 7.528 1.829 13.648 1.00 0.00 O ATOM 0 H GLY A 464 7.887 1.422 9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.932 0.906 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.331 2.588 11.835 1.00 0.00 H new ATOM 1290 N PHE A 465 6.138 2.361 11.960 1.00 0.00 N ATOM 1291 CA PHE A 465 4.922 2.518 12.773 1.00 0.00 C ATOM 1292 C PHE A 465 4.555 1.219 13.499 1.00 0.00 C ATOM 1293 O PHE A 465 4.383 0.183 12.854 1.00 0.00 O ATOM 1294 CB PHE A 465 3.773 2.973 11.859 1.00 0.00 C ATOM 1295 CG PHE A 465 2.417 3.124 12.524 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.116 4.304 13.233 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.436 2.115 12.406 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.850 4.475 13.820 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.168 2.291 12.989 1.00 0.00 C ATOM 1300 CZ PHE A 465 -0.125 3.469 13.696 1.00 0.00 C ATOM 0 H PHE A 465 5.976 2.521 10.966 1.00 0.00 H new ATOM 0 HA PHE A 465 5.105 3.269 13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.046 3.930 11.413 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.678 2.257 11.043 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.861 5.080 13.326 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.660 1.206 11.867 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.626 5.379 14.366 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.581 1.519 12.893 1.00 0.00 H new ATOM 0 HZ PHE A 465 -1.099 3.602 14.144 1.00 0.00 H new ATOM 1310 N GLN A 466 4.429 1.265 14.829 1.00 0.00 N ATOM 1311 CA GLN A 466 4.036 0.104 15.627 1.00 0.00 C ATOM 1312 C GLN A 466 2.521 -0.119 15.537 1.00 0.00 C ATOM 1313 O GLN A 466 1.729 0.801 15.742 1.00 0.00 O ATOM 1314 CB GLN A 466 4.510 0.265 17.083 1.00 0.00 C ATOM 1315 CG GLN A 466 4.335 -1.044 17.876 1.00 0.00 C ATOM 1316 CD GLN A 466 4.765 -0.947 19.343 1.00 0.00 C ATOM 1317 OE1 GLN A 466 5.590 -0.135 19.745 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.220 -1.781 20.207 1.00 0.00 N ATOM 0 H GLN A 466 4.597 2.107 15.380 1.00 0.00 H new ATOM 0 HA GLN A 466 4.521 -0.785 15.224 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.558 0.563 17.096 1.00 0.00 H new ATOM 0 HB3 GLN A 466 3.946 1.063 17.565 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.288 -1.345 17.834 1.00 0.00 H new ATOM 0 HG3 GLN A 466 4.912 -1.831 17.390 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.531 -2.464 19.892 1.00 0.00 H new ATOM 0 HE22 GLN A 466 4.487 -1.743 21.191 1.00 0.00 H new ATOM 1327 N ILE A 467 2.121 -1.362 15.265 1.00 0.00 N ATOM 1328 CA ILE A 467 0.724 -1.781 15.102 1.00 0.00 C ATOM 1329 C ILE A 467 0.506 -3.094 15.872 1.00 0.00 C ATOM 1330 O ILE A 467 0.708 -4.200 15.368 1.00 0.00 O ATOM 1331 CB ILE A 467 0.352 -1.761 13.596 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.176 -1.830 13.416 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.094 -2.802 12.734 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.639 -1.594 11.973 1.00 0.00 C ATOM 0 H ILE A 467 2.780 -2.131 15.148 1.00 0.00 H new ATOM 0 HA ILE A 467 0.012 -1.088 15.550 1.00 0.00 H new ATOM 0 HB ILE A 467 0.706 -0.805 13.211 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.528 -2.808 13.746 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.643 -1.088 14.064 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.770 -2.713 11.697 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.168 -2.626 12.795 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.869 -3.804 13.100 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.726 -1.658 11.925 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.319 -0.605 11.645 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.202 -2.351 11.322 1.00 0.00 H new ATOM 1392 N ARG A 471 6.061 -3.827 13.815 1.00 0.00 N ATOM 1393 CA ARG A 471 6.291 -2.523 13.164 1.00 0.00 C ATOM 1394 C ARG A 471 6.253 -2.641 11.635 1.00 0.00 C ATOM 1395 O ARG A 471 6.801 -3.586 11.067 1.00 0.00 O ATOM 1396 CB ARG A 471 7.625 -1.899 13.615 1.00 0.00 C ATOM 1397 CG ARG A 471 7.586 -1.419 15.072 1.00 0.00 C ATOM 1398 CD ARG A 471 8.915 -0.776 15.484 1.00 0.00 C ATOM 1399 NE ARG A 471 8.864 -0.293 16.876 1.00 0.00 N ATOM 1400 CZ ARG A 471 8.495 0.913 17.295 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.087 1.859 16.473 1.00 0.00 N ATOM 1402 NH2 ARG A 471 8.527 1.190 18.581 1.00 0.00 N ATOM 0 HA ARG A 471 5.479 -1.865 13.475 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.423 -2.632 13.499 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.867 -1.058 12.965 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.777 -0.699 15.198 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.368 -2.261 15.729 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.722 -1.501 15.377 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.143 0.055 14.816 1.00 0.00 H new ATOM 0 HE ARG A 471 9.143 -0.958 17.597 1.00 0.00 H new ATOM 0 HH11 ARG A 471 8.045 1.680 15.470 1.00 0.00 H new ATOM 0 HH12 ARG A 471 7.813 2.770 16.840 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.833 0.482 19.248 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.245 2.113 18.911 1.00 0.00 H new ATOM 1416 N LEU A 472 5.608 -1.670 10.982 1.00 0.00 N ATOM 1417 CA LEU A 472 5.476 -1.577 9.524 1.00 0.00 C ATOM 1418 C LEU A 472 6.775 -1.126 8.842 1.00 0.00 C ATOM 1419 O LEU A 472 7.635 -0.498 9.457 1.00 0.00 O ATOM 1420 CB LEU A 472 4.348 -0.584 9.169 1.00 0.00 C ATOM 1421 CG LEU A 472 2.943 -0.940 9.685 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.927 0.079 9.155 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.525 -2.349 9.258 1.00 0.00 C ATOM 0 H LEU A 472 5.148 -0.901 11.469 1.00 0.00 H new ATOM 0 HA LEU A 472 5.241 -2.576 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.619 0.396 9.561 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.301 -0.492 8.084 1.00 0.00 H new ATOM 0 HG LEU A 472 2.968 -0.912 10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.932 -0.175 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.198 1.077 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.928 0.060 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.527 -2.564 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.517 -2.412 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.232 -3.075 9.659 1.00 0.00 H new ATOM 1435 N LYS A 473 6.867 -1.376 7.537 1.00 0.00 N ATOM 1436 CA LYS A 473 7.888 -0.830 6.631 1.00 0.00 C ATOM 1437 C LYS A 473 7.189 -0.257 5.384 1.00 0.00 C ATOM 1438 O LYS A 473 6.216 -0.842 4.912 1.00 0.00 O ATOM 1439 CB LYS A 473 8.905 -1.938 6.295 1.00 0.00 C ATOM 1440 CG LYS A 473 10.033 -1.465 5.359 1.00 0.00 C ATOM 1441 CD LYS A 473 11.028 -2.578 4.998 1.00 0.00 C ATOM 1442 CE LYS A 473 10.388 -3.662 4.114 1.00 0.00 C ATOM 1443 NZ LYS A 473 11.394 -4.649 3.638 1.00 0.00 N ATOM 0 H LYS A 473 6.207 -1.989 7.058 1.00 0.00 H new ATOM 0 HA LYS A 473 8.442 -0.015 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.343 -2.313 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.382 -2.773 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.594 -1.068 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.572 -0.646 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.883 -2.145 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.408 -3.034 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.610 -4.178 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.904 -3.194 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.926 -5.364 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.123 -4.160 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.838 -5.114 4.456 1.00 0.00 H new ATOM 1457 N VAL A 474 7.651 0.872 4.843 1.00 0.00 N ATOM 1458 CA VAL A 474 7.039 1.553 3.688 1.00 0.00 C ATOM 1459 C VAL A 474 8.141 2.057 2.751 1.00 0.00 C ATOM 1460 O VAL A 474 9.158 2.570 3.216 1.00 0.00 O ATOM 1461 CB VAL A 474 6.121 2.722 4.127 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.355 3.284 2.921 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.103 2.302 5.200 1.00 0.00 C ATOM 0 H VAL A 474 8.477 1.352 5.199 1.00 0.00 H new ATOM 0 HA VAL A 474 6.411 0.834 3.161 1.00 0.00 H new ATOM 0 HB VAL A 474 6.775 3.483 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.715 4.104 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.064 3.650 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.742 2.498 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.486 3.159 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.468 1.507 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.632 1.942 6.082 1.00 0.00 H new ATOM 1473 N GLN A 475 7.942 1.907 1.440 1.00 0.00 N ATOM 1474 CA GLN A 475 8.936 2.217 0.407 1.00 0.00 C ATOM 1475 C GLN A 475 8.252 2.713 -0.877 1.00 0.00 C ATOM 1476 O GLN A 475 7.131 2.312 -1.188 1.00 0.00 O ATOM 1477 CB GLN A 475 9.740 0.933 0.121 1.00 0.00 C ATOM 1478 CG GLN A 475 11.024 1.141 -0.703 1.00 0.00 C ATOM 1479 CD GLN A 475 11.454 -0.148 -1.406 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.166 -0.984 -0.864 1.00 0.00 O ATOM 1481 NE2 GLN A 475 11.027 -0.356 -2.636 1.00 0.00 N ATOM 0 H GLN A 475 7.064 1.558 1.056 1.00 0.00 H new ATOM 0 HA GLN A 475 9.597 3.011 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.007 0.470 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 475 9.097 0.229 -0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.859 1.923 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.825 1.485 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 475 10.434 0.336 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 475 11.290 -1.209 -3.130 1.00 0.00 H new ATOM 1490 N LEU A 476 8.947 3.559 -1.647 1.00 0.00 N ATOM 1491 CA LEU A 476 8.546 3.927 -3.009 1.00 0.00 C ATOM 1492 C LEU A 476 8.576 2.717 -3.960 1.00 0.00 C ATOM 1493 O LEU A 476 9.334 1.760 -3.775 1.00 0.00 O ATOM 1494 CB LEU A 476 9.491 5.013 -3.568 1.00 0.00 C ATOM 1495 CG LEU A 476 9.385 6.414 -2.940 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.459 7.308 -3.570 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.011 7.050 -3.189 1.00 0.00 C ATOM 0 H LEU A 476 9.809 4.010 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 476 7.525 4.304 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.517 4.664 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.307 5.106 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 476 9.523 6.318 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.400 8.307 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.445 6.885 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.297 7.368 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.979 8.038 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.842 7.143 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.235 6.421 -2.753 1.00 0.00 H new ATOM 1509 N LYS A 477 7.814 2.819 -5.050 1.00 0.00 N ATOM 1510 CA LYS A 477 7.848 1.879 -6.183 1.00 0.00 C ATOM 1511 C LYS A 477 9.191 1.897 -6.952 1.00 0.00 C ATOM 1512 O LYS A 477 9.578 0.883 -7.540 1.00 0.00 O ATOM 1513 CB LYS A 477 6.649 2.225 -7.088 1.00 0.00 C ATOM 1514 CG LYS A 477 6.544 1.364 -8.358 1.00 0.00 C ATOM 1515 CD LYS A 477 5.251 1.671 -9.126 1.00 0.00 C ATOM 1516 CE LYS A 477 5.173 0.782 -10.374 1.00 0.00 C ATOM 1517 NZ LYS A 477 3.999 1.123 -11.214 1.00 0.00 N ATOM 0 H LYS A 477 7.139 3.573 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 477 7.770 0.856 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.730 2.115 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.719 3.273 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.405 1.550 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.569 0.308 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.386 1.495 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.227 2.722 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.085 0.895 -10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.115 -0.264 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.909 0.429 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.138 1.106 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.125 2.073 -11.618 1.00 0.00 H new