USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 403 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 41 GLN : amide:sc= -8.87! C(o=-15!,f=-15!) USER MOD Set 1.2: A 45 ASN : amide:sc= -6.56! K(o=-15!,f=-11) USER MOD Single : A 17 THR OG1 : rot -53:sc= -2.77! USER MOD Single : A 18 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.6) USER MOD Single : A 22 MET CE :methyl -174:sc= -4.72 (180deg=-5.38!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.41) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.42! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.839 USER MOD Single : A 65 MET CE :methyl -158:sc= -0.298 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.403 10.633 -2.467 1.00 0.00 N ATOM 262 CA THR A 17 2.699 10.739 -3.114 1.00 0.00 C ATOM 263 C THR A 17 3.336 9.356 -3.264 1.00 0.00 C ATOM 264 O THR A 17 3.006 8.433 -2.520 1.00 0.00 O ATOM 265 CB THR A 17 3.553 11.717 -2.304 1.00 0.00 C ATOM 266 OG1 THR A 17 3.283 11.373 -0.948 1.00 0.00 O ATOM 267 CG2 THR A 17 3.065 13.162 -2.427 1.00 0.00 C ATOM 0 HA THR A 17 2.604 11.129 -4.127 1.00 0.00 H new ATOM 0 HB THR A 17 4.589 11.655 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.315 11.376 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.706 13.814 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.102 13.471 -3.472 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.040 13.232 -2.064 1.00 0.00 H new ATOM 275 N GLN A 18 4.237 9.256 -4.230 1.00 0.00 N ATOM 276 CA GLN A 18 4.923 8.001 -4.486 1.00 0.00 C ATOM 277 C GLN A 18 5.733 7.578 -3.259 1.00 0.00 C ATOM 278 O GLN A 18 5.862 6.388 -2.976 1.00 0.00 O ATOM 279 CB GLN A 18 5.817 8.108 -5.723 1.00 0.00 C ATOM 280 CG GLN A 18 6.926 9.140 -5.511 1.00 0.00 C ATOM 281 CD GLN A 18 7.202 9.921 -6.797 1.00 0.00 C ATOM 282 OE1 GLN A 18 6.301 10.342 -7.504 1.00 0.00 O ATOM 283 NE2 GLN A 18 8.495 10.090 -7.060 1.00 0.00 N ATOM 0 H GLN A 18 4.508 10.023 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 18 4.174 7.234 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.258 7.136 -5.943 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.215 8.388 -6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.639 9.830 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.837 8.638 -5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.198 9.711 -6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.783 10.598 -7.896 1.00 0.00 H new ATOM 292 N GLY A 19 6.258 8.576 -2.563 1.00 0.00 N ATOM 293 CA GLY A 19 7.052 8.323 -1.373 1.00 0.00 C ATOM 294 C GLY A 19 6.162 7.913 -0.198 1.00 0.00 C ATOM 295 O GLY A 19 6.510 7.012 0.564 1.00 0.00 O ATOM 0 H GLY A 19 6.149 9.562 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.778 7.536 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.617 9.218 -1.111 1.00 0.00 H new ATOM 299 N GLU A 20 5.031 8.593 -0.088 1.00 0.00 N ATOM 300 CA GLU A 20 4.089 8.311 0.982 1.00 0.00 C ATOM 301 C GLU A 20 3.542 6.888 0.846 1.00 0.00 C ATOM 302 O GLU A 20 3.434 6.164 1.834 1.00 0.00 O ATOM 303 CB GLU A 20 2.953 9.336 0.997 1.00 0.00 C ATOM 304 CG GLU A 20 3.382 10.620 1.708 1.00 0.00 C ATOM 305 CD GLU A 20 3.182 10.502 3.221 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.007 10.382 3.630 1.00 0.00 O ATOM 307 OE2 GLU A 20 4.208 10.536 3.933 1.00 0.00 O ATOM 0 H GLU A 20 4.745 9.339 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 20 4.616 8.388 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.652 9.565 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.083 8.912 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.430 10.827 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.805 11.462 1.326 1.00 0.00 H new ATOM 314 N LEU A 21 3.211 6.531 -0.386 1.00 0.00 N ATOM 315 CA LEU A 21 2.678 5.208 -0.664 1.00 0.00 C ATOM 316 C LEU A 21 3.640 4.151 -0.118 1.00 0.00 C ATOM 317 O LEU A 21 3.210 3.169 0.487 1.00 0.00 O ATOM 318 CB LEU A 21 2.378 5.054 -2.157 1.00 0.00 C ATOM 319 CG LEU A 21 0.898 4.982 -2.539 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.104 4.175 -1.509 1.00 0.00 C ATOM 321 CD2 LEU A 21 0.315 6.382 -2.743 1.00 0.00 C ATOM 0 H LEU A 21 3.302 7.135 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 21 1.725 5.066 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.829 5.893 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.870 4.149 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 21 0.817 4.458 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.945 4.139 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.501 3.161 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.190 4.649 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.738 6.302 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.410 6.954 -1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.857 6.889 -3.541 1.00 0.00 H new ATOM 333 N MET A 22 4.922 4.386 -0.352 1.00 0.00 N ATOM 334 CA MET A 22 5.948 3.466 0.109 1.00 0.00 C ATOM 335 C MET A 22 5.856 3.256 1.622 1.00 0.00 C ATOM 336 O MET A 22 5.643 2.136 2.084 1.00 0.00 O ATOM 337 CB MET A 22 7.329 4.022 -0.246 1.00 0.00 C ATOM 338 CG MET A 22 7.580 3.945 -1.753 1.00 0.00 C ATOM 339 SD MET A 22 7.436 2.256 -2.311 1.00 0.00 S ATOM 340 CE MET A 22 8.270 1.416 -0.975 1.00 0.00 C ATOM 0 H MET A 22 5.274 5.200 -0.855 1.00 0.00 H new ATOM 0 HA MET A 22 5.796 2.505 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.405 5.057 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 22 8.098 3.460 0.284 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.863 4.574 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.573 4.330 -1.985 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.365 0.357 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.261 1.848 -0.836 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.693 1.530 -0.057 1.00 0.00 H new ATOM 350 N LYS A 23 6.021 4.349 2.351 1.00 0.00 N ATOM 351 CA LYS A 23 5.960 4.298 3.802 1.00 0.00 C ATOM 352 C LYS A 23 4.585 3.782 4.232 1.00 0.00 C ATOM 353 O LYS A 23 4.443 3.207 5.310 1.00 0.00 O ATOM 354 CB LYS A 23 6.320 5.659 4.402 1.00 0.00 C ATOM 355 CG LYS A 23 7.827 5.913 4.319 1.00 0.00 C ATOM 356 CD LYS A 23 8.119 7.380 4.001 1.00 0.00 C ATOM 357 CE LYS A 23 7.821 8.272 5.208 1.00 0.00 C ATOM 358 NZ LYS A 23 7.845 9.699 4.817 1.00 0.00 N ATOM 0 H LYS A 23 6.197 5.276 1.964 1.00 0.00 H new ATOM 0 HA LYS A 23 6.700 3.598 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.785 6.447 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.998 5.699 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.298 5.641 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.265 5.276 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.164 7.492 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.516 7.699 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.845 8.019 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.557 8.091 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.641 10.290 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.785 9.941 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.126 9.871 4.085 1.00 0.00 H new ATOM 372 N LEU A 24 3.607 4.005 3.366 1.00 0.00 N ATOM 373 CA LEU A 24 2.249 3.570 3.642 1.00 0.00 C ATOM 374 C LEU A 24 2.204 2.041 3.672 1.00 0.00 C ATOM 375 O LEU A 24 1.599 1.451 4.566 1.00 0.00 O ATOM 376 CB LEU A 24 1.272 4.194 2.643 1.00 0.00 C ATOM 377 CG LEU A 24 -0.170 4.355 3.127 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.006 5.134 2.110 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.792 2.997 3.459 1.00 0.00 C ATOM 0 H LEU A 24 3.729 4.482 2.472 1.00 0.00 H new ATOM 0 HA LEU A 24 1.930 3.919 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.651 5.176 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.265 3.582 1.741 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.158 4.938 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.027 5.234 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.574 6.124 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.014 4.600 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.817 3.140 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.791 2.369 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.212 2.513 4.245 1.00 0.00 H new ATOM 391 N ILE A 25 2.853 1.442 2.684 1.00 0.00 N ATOM 392 CA ILE A 25 2.895 -0.007 2.586 1.00 0.00 C ATOM 393 C ILE A 25 3.734 -0.567 3.736 1.00 0.00 C ATOM 394 O ILE A 25 3.341 -1.538 4.380 1.00 0.00 O ATOM 395 CB ILE A 25 3.385 -0.436 1.201 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.217 -0.562 0.221 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.204 -1.725 1.285 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.720 -0.725 -1.214 1.00 0.00 C ATOM 0 H ILE A 25 3.354 1.934 1.944 1.00 0.00 H new ATOM 0 HA ILE A 25 1.894 -0.425 2.688 1.00 0.00 H new ATOM 0 HB ILE A 25 4.046 0.341 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.600 -1.418 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.583 0.322 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.540 -2.008 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.070 -1.565 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.587 -2.522 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.869 -0.812 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.316 0.144 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.333 -1.623 -1.285 1.00 0.00 H new ATOM 410 N LYS A 26 4.876 0.068 3.958 1.00 0.00 N ATOM 411 CA LYS A 26 5.774 -0.355 5.019 1.00 0.00 C ATOM 412 C LYS A 26 5.077 -0.181 6.370 1.00 0.00 C ATOM 413 O LYS A 26 5.224 -1.017 7.261 1.00 0.00 O ATOM 414 CB LYS A 26 7.110 0.383 4.916 1.00 0.00 C ATOM 415 CG LYS A 26 8.186 -0.312 5.752 1.00 0.00 C ATOM 416 CD LYS A 26 8.413 0.422 7.075 1.00 0.00 C ATOM 417 CE LYS A 26 9.100 -0.486 8.096 1.00 0.00 C ATOM 418 NZ LYS A 26 8.238 -0.676 9.284 1.00 0.00 N ATOM 0 H LYS A 26 5.200 0.872 3.421 1.00 0.00 H new ATOM 0 HA LYS A 26 6.013 -1.414 4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.426 0.427 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.988 1.412 5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.889 -1.342 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.119 -0.352 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.023 1.308 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.458 0.765 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.321 -1.452 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.053 -0.050 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.720 -1.295 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.048 0.246 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.340 -1.113 8.995 1.00 0.00 H new ATOM 432 N GLU A 27 4.334 0.911 6.481 1.00 0.00 N ATOM 433 CA GLU A 27 3.615 1.205 7.709 1.00 0.00 C ATOM 434 C GLU A 27 2.704 0.035 8.084 1.00 0.00 C ATOM 435 O GLU A 27 2.562 -0.294 9.261 1.00 0.00 O ATOM 436 CB GLU A 27 2.815 2.503 7.578 1.00 0.00 C ATOM 437 CG GLU A 27 3.610 3.694 8.115 1.00 0.00 C ATOM 438 CD GLU A 27 2.688 4.876 8.420 1.00 0.00 C ATOM 439 OE1 GLU A 27 2.477 5.686 7.491 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.215 4.944 9.575 1.00 0.00 O ATOM 0 H GLU A 27 4.215 1.602 5.741 1.00 0.00 H new ATOM 0 HA GLU A 27 4.342 1.344 8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.560 2.673 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.876 2.412 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.144 3.402 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.361 3.993 7.384 1.00 0.00 H new ATOM 447 N ILE A 28 2.110 -0.563 7.061 1.00 0.00 N ATOM 448 CA ILE A 28 1.217 -1.690 7.268 1.00 0.00 C ATOM 449 C ILE A 28 2.022 -2.887 7.777 1.00 0.00 C ATOM 450 O ILE A 28 1.504 -3.718 8.521 1.00 0.00 O ATOM 451 CB ILE A 28 0.418 -1.982 5.996 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.854 -1.133 5.941 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.116 -3.476 5.870 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.677 0.057 4.996 1.00 0.00 C ATOM 0 H ILE A 28 2.230 -0.288 6.086 1.00 0.00 H new ATOM 0 HA ILE A 28 0.478 -1.454 8.034 1.00 0.00 H new ATOM 0 HB ILE A 28 1.028 -1.703 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.691 -1.746 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.100 -0.775 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.453 -3.657 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.051 -4.034 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.466 -3.803 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.595 0.644 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.145 0.681 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.455 -0.305 3.992 1.00 0.00 H new ATOM 466 N VAL A 29 3.277 -2.937 7.355 1.00 0.00 N ATOM 467 CA VAL A 29 4.160 -4.019 7.759 1.00 0.00 C ATOM 468 C VAL A 29 4.891 -3.623 9.043 1.00 0.00 C ATOM 469 O VAL A 29 5.728 -4.373 9.542 1.00 0.00 O ATOM 470 CB VAL A 29 5.112 -4.372 6.614 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.736 -5.753 6.827 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.397 -4.296 5.264 1.00 0.00 C ATOM 0 H VAL A 29 3.704 -2.246 6.738 1.00 0.00 H new ATOM 0 HA VAL A 29 3.586 -4.920 7.977 1.00 0.00 H new ATOM 0 HB VAL A 29 5.917 -3.637 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.408 -5.980 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.296 -5.759 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.948 -6.505 6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.096 -4.551 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.563 -4.998 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.022 -3.285 5.107 1.00 0.00 H new ATOM 482 N GLU A 30 4.547 -2.445 9.543 1.00 0.00 N ATOM 483 CA GLU A 30 5.160 -1.940 10.759 1.00 0.00 C ATOM 484 C GLU A 30 4.680 -2.745 11.969 1.00 0.00 C ATOM 485 O GLU A 30 5.395 -2.865 12.963 1.00 0.00 O ATOM 486 CB GLU A 30 4.869 -0.449 10.942 1.00 0.00 C ATOM 487 CG GLU A 30 5.601 0.107 12.165 1.00 0.00 C ATOM 488 CD GLU A 30 6.262 1.449 11.846 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.786 2.103 10.893 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.228 1.791 12.561 1.00 0.00 O ATOM 0 H GLU A 30 3.851 -1.826 9.127 1.00 0.00 H new ATOM 0 HA GLU A 30 6.240 -2.058 10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.177 0.097 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.796 -0.296 11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.898 0.231 12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.357 -0.605 12.495 1.00 0.00 H new ATOM 497 N ASN A 31 3.472 -3.276 11.845 1.00 0.00 N ATOM 498 CA ASN A 31 2.888 -4.066 12.915 1.00 0.00 C ATOM 499 C ASN A 31 2.202 -5.296 12.319 1.00 0.00 C ATOM 500 O ASN A 31 1.035 -5.561 12.606 1.00 0.00 O ATOM 501 CB ASN A 31 1.836 -3.262 13.682 1.00 0.00 C ATOM 502 CG ASN A 31 0.821 -2.633 12.724 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.065 -1.611 12.104 1.00 0.00 O ATOM 504 ND2 ASN A 31 -0.327 -3.299 12.639 1.00 0.00 N ATOM 0 H ASN A 31 2.882 -3.174 11.019 1.00 0.00 H new ATOM 0 HA ASN A 31 3.688 -4.355 13.596 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.320 -3.912 14.389 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.324 -2.481 14.265 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.069 -2.960 12.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.465 -4.149 13.186 1.00 0.00 H new ATOM 511 N GLU A 32 2.955 -6.016 11.500 1.00 0.00 N ATOM 512 CA GLU A 32 2.434 -7.212 10.861 1.00 0.00 C ATOM 513 C GLU A 32 2.055 -8.254 11.915 1.00 0.00 C ATOM 514 O GLU A 32 1.809 -7.913 13.071 1.00 0.00 O ATOM 515 CB GLU A 32 3.442 -7.784 9.863 1.00 0.00 C ATOM 516 CG GLU A 32 4.634 -8.414 10.587 1.00 0.00 C ATOM 517 CD GLU A 32 4.969 -9.786 9.999 1.00 0.00 C ATOM 518 OE1 GLU A 32 4.008 -10.502 9.643 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.179 -10.089 9.919 1.00 0.00 O ATOM 0 H GLU A 32 3.922 -5.794 11.264 1.00 0.00 H new ATOM 0 HA GLU A 32 1.536 -6.942 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.955 -8.532 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.792 -6.993 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.501 -7.758 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.408 -8.515 11.649 1.00 0.00 H new ATOM 526 N ASP A 33 2.019 -9.505 11.479 1.00 0.00 N ATOM 527 CA ASP A 33 1.673 -10.599 12.370 1.00 0.00 C ATOM 528 C ASP A 33 2.126 -11.921 11.746 1.00 0.00 C ATOM 529 O ASP A 33 2.350 -11.998 10.539 1.00 0.00 O ATOM 530 CB ASP A 33 0.161 -10.674 12.591 1.00 0.00 C ATOM 531 CG ASP A 33 -0.267 -11.039 14.014 1.00 0.00 C ATOM 532 OD1 ASP A 33 -0.195 -10.138 14.877 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.657 -12.211 14.206 1.00 0.00 O ATOM 0 H ASP A 33 2.224 -9.785 10.520 1.00 0.00 H new ATOM 0 HA ASP A 33 2.168 -10.425 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.277 -9.710 12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.256 -11.409 11.902 1.00 0.00 H new ATOM 538 N LYS A 34 2.245 -12.930 12.597 1.00 0.00 N ATOM 539 CA LYS A 34 2.667 -14.245 12.145 1.00 0.00 C ATOM 540 C LYS A 34 1.566 -14.857 11.276 1.00 0.00 C ATOM 541 O LYS A 34 1.732 -14.998 10.066 1.00 0.00 O ATOM 542 CB LYS A 34 3.068 -15.118 13.335 1.00 0.00 C ATOM 543 CG LYS A 34 4.588 -15.284 13.406 1.00 0.00 C ATOM 544 CD LYS A 34 5.005 -16.695 12.987 1.00 0.00 C ATOM 545 CE LYS A 34 6.504 -16.911 13.206 1.00 0.00 C ATOM 546 NZ LYS A 34 6.735 -17.843 14.332 1.00 0.00 N ATOM 0 H LYS A 34 2.056 -12.863 13.597 1.00 0.00 H new ATOM 0 HA LYS A 34 3.559 -14.167 11.523 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.704 -14.669 14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.595 -16.096 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.068 -14.551 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.932 -15.085 14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.440 -17.430 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.761 -16.854 11.937 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.956 -17.310 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.989 -15.956 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.757 -17.978 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.321 -17.448 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.289 -18.759 14.122 1.00 0.00 H new ATOM 560 N ARG A 35 0.467 -15.205 11.929 1.00 0.00 N ATOM 561 CA ARG A 35 -0.661 -15.799 11.231 1.00 0.00 C ATOM 562 C ARG A 35 -1.320 -14.769 10.313 1.00 0.00 C ATOM 563 O ARG A 35 -2.174 -15.114 9.498 1.00 0.00 O ATOM 564 CB ARG A 35 -1.702 -16.331 12.219 1.00 0.00 C ATOM 565 CG ARG A 35 -2.037 -17.795 11.927 1.00 0.00 C ATOM 566 CD ARG A 35 -1.915 -18.648 13.192 1.00 0.00 C ATOM 567 NE ARG A 35 -2.745 -19.866 13.062 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.414 -20.925 12.310 1.00 0.00 C ATOM 569 NH1 ARG A 35 -1.268 -20.921 11.616 1.00 0.00 N ATOM 570 NH2 ARG A 35 -3.229 -21.987 12.253 1.00 0.00 N ATOM 0 H ARG A 35 0.333 -15.087 12.933 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.282 -16.630 10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.324 -16.237 13.237 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.608 -15.728 12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.050 -17.868 11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.366 -18.179 11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.873 -18.923 13.356 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.233 -18.072 14.061 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.625 -19.902 13.577 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.648 -20.112 11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.016 -21.727 11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.101 -21.989 12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.977 -22.793 11.681 1.00 0.00 H new ATOM 584 N LYS A 36 -0.899 -13.523 10.476 1.00 0.00 N ATOM 585 CA LYS A 36 -1.437 -12.440 9.671 1.00 0.00 C ATOM 586 C LYS A 36 -0.295 -11.525 9.224 1.00 0.00 C ATOM 587 O LYS A 36 -0.087 -10.459 9.800 1.00 0.00 O ATOM 588 CB LYS A 36 -2.548 -11.710 10.429 1.00 0.00 C ATOM 589 CG LYS A 36 -3.854 -11.719 9.632 1.00 0.00 C ATOM 590 CD LYS A 36 -4.805 -12.800 10.149 1.00 0.00 C ATOM 591 CE LYS A 36 -6.264 -12.393 9.939 1.00 0.00 C ATOM 592 NZ LYS A 36 -7.107 -12.892 11.049 1.00 0.00 N ATOM 0 H LYS A 36 -0.191 -13.240 11.154 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.903 -12.833 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.706 -12.185 11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.244 -10.682 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.334 -10.743 9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.639 -11.893 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.608 -13.740 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.621 -12.974 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.339 -11.307 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.626 -12.792 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.094 -12.607 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.049 -13.930 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.771 -12.491 11.948 1.00 0.00 H new ATOM 606 N PRO A 37 0.435 -11.989 8.174 1.00 0.00 N ATOM 607 CA PRO A 37 1.551 -11.225 7.643 1.00 0.00 C ATOM 608 C PRO A 37 1.057 -10.034 6.819 1.00 0.00 C ATOM 609 O PRO A 37 -0.084 -9.601 6.969 1.00 0.00 O ATOM 610 CB PRO A 37 2.355 -12.221 6.824 1.00 0.00 C ATOM 611 CG PRO A 37 1.417 -13.384 6.544 1.00 0.00 C ATOM 612 CD PRO A 37 0.217 -13.248 7.467 1.00 0.00 C ATOM 0 HA PRO A 37 2.168 -10.782 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.706 -11.770 5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.237 -12.554 7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.099 -13.376 5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.924 -14.333 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.716 -13.230 6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.154 -14.086 8.161 1.00 0.00 H new ATOM 620 N TYR A 38 1.942 -9.538 5.966 1.00 0.00 N ATOM 621 CA TYR A 38 1.610 -8.405 5.118 1.00 0.00 C ATOM 622 C TYR A 38 2.435 -8.425 3.830 1.00 0.00 C ATOM 623 O TYR A 38 3.165 -7.479 3.541 1.00 0.00 O ATOM 624 CB TYR A 38 1.974 -7.156 5.923 1.00 0.00 C ATOM 625 CG TYR A 38 0.854 -6.657 6.838 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.453 -6.656 6.392 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.149 -6.210 8.110 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.507 -6.187 7.254 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.095 -5.740 8.971 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.181 -5.752 8.501 1.00 0.00 C ATOM 631 OH TYR A 38 -2.177 -5.309 9.314 1.00 0.00 O ATOM 0 H TYR A 38 2.888 -9.900 5.844 1.00 0.00 H new ATOM 0 HA TYR A 38 0.557 -8.430 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.855 -7.370 6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.248 -6.358 5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.685 -7.007 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.171 -6.213 8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.533 -6.181 6.918 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.313 -5.386 9.968 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.798 -5.031 10.174 1.00 0.00 H new ATOM 641 N SER A 39 2.290 -9.514 3.089 1.00 0.00 N ATOM 642 CA SER A 39 3.012 -9.670 1.838 1.00 0.00 C ATOM 643 C SER A 39 2.386 -8.784 0.759 1.00 0.00 C ATOM 644 O SER A 39 1.483 -7.998 1.042 1.00 0.00 O ATOM 645 CB SER A 39 3.021 -11.132 1.386 1.00 0.00 C ATOM 646 OG SER A 39 3.419 -11.266 0.024 1.00 0.00 O ATOM 0 H SER A 39 1.683 -10.297 3.331 1.00 0.00 H new ATOM 0 HA SER A 39 4.045 -9.361 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.699 -11.704 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.026 -11.558 1.517 1.00 0.00 H new ATOM 0 HG SER A 39 3.414 -12.213 -0.227 1.00 0.00 H new ATOM 652 N ASP A 40 2.890 -8.941 -0.456 1.00 0.00 N ATOM 653 CA ASP A 40 2.392 -8.166 -1.580 1.00 0.00 C ATOM 654 C ASP A 40 0.902 -8.453 -1.771 1.00 0.00 C ATOM 655 O ASP A 40 0.136 -7.562 -2.135 1.00 0.00 O ATOM 656 CB ASP A 40 3.116 -8.543 -2.874 1.00 0.00 C ATOM 657 CG ASP A 40 2.583 -9.796 -3.571 1.00 0.00 C ATOM 658 OD1 ASP A 40 1.608 -9.647 -4.339 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.164 -10.874 -3.321 1.00 0.00 O ATOM 0 H ASP A 40 3.639 -9.594 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 40 2.565 -7.111 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.050 -7.704 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.173 -8.691 -2.652 1.00 0.00 H new ATOM 664 N GLN A 41 0.535 -9.700 -1.516 1.00 0.00 N ATOM 665 CA GLN A 41 -0.851 -10.116 -1.656 1.00 0.00 C ATOM 666 C GLN A 41 -1.729 -9.387 -0.637 1.00 0.00 C ATOM 667 O GLN A 41 -2.749 -8.801 -0.998 1.00 0.00 O ATOM 668 CB GLN A 41 -0.985 -11.633 -1.509 1.00 0.00 C ATOM 669 CG GLN A 41 -2.165 -11.994 -0.604 1.00 0.00 C ATOM 670 CD GLN A 41 -3.489 -11.537 -1.219 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.566 -11.153 -2.375 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.523 -11.599 -0.385 1.00 0.00 N ATOM 0 H GLN A 41 1.173 -10.436 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.191 -9.849 -2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.123 -12.086 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.065 -12.045 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.188 -13.072 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.034 -11.529 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.389 -11.930 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.451 -11.315 -0.701 1.00 0.00 H new ATOM 681 N GLU A 42 -1.301 -9.446 0.615 1.00 0.00 N ATOM 682 CA GLU A 42 -2.036 -8.799 1.688 1.00 0.00 C ATOM 683 C GLU A 42 -2.078 -7.286 1.465 1.00 0.00 C ATOM 684 O GLU A 42 -3.136 -6.725 1.183 1.00 0.00 O ATOM 685 CB GLU A 42 -1.427 -9.135 3.051 1.00 0.00 C ATOM 686 CG GLU A 42 -2.516 -9.294 4.114 1.00 0.00 C ATOM 687 CD GLU A 42 -2.026 -10.163 5.275 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.123 -10.990 5.023 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.566 -9.980 6.387 1.00 0.00 O ATOM 0 H GLU A 42 -0.454 -9.932 0.911 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.058 -9.177 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.848 -10.056 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.736 -8.347 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.810 -8.313 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.403 -9.744 3.667 1.00 0.00 H new ATOM 696 N ILE A 43 -0.914 -6.667 1.600 1.00 0.00 N ATOM 697 CA ILE A 43 -0.805 -5.230 1.416 1.00 0.00 C ATOM 698 C ILE A 43 -1.641 -4.810 0.206 1.00 0.00 C ATOM 699 O ILE A 43 -2.387 -3.834 0.271 1.00 0.00 O ATOM 700 CB ILE A 43 0.664 -4.812 1.323 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.147 -4.210 2.644 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.891 -3.864 0.144 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.627 -4.520 2.880 1.00 0.00 C ATOM 0 H ILE A 43 -0.038 -7.135 1.835 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.209 -4.704 2.281 1.00 0.00 H new ATOM 0 HB ILE A 43 1.262 -5.704 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.995 -3.131 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.553 -4.607 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.943 -3.582 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.611 -4.363 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.281 -2.970 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.944 -4.081 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.771 -5.600 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.221 -4.101 2.068 1.00 0.00 H new ATOM 715 N ALA A 44 -1.489 -5.567 -0.871 1.00 0.00 N ATOM 716 CA ALA A 44 -2.221 -5.285 -2.094 1.00 0.00 C ATOM 717 C ALA A 44 -3.722 -5.290 -1.797 1.00 0.00 C ATOM 718 O ALA A 44 -4.453 -4.418 -2.264 1.00 0.00 O ATOM 719 CB ALA A 44 -1.835 -6.305 -3.166 1.00 0.00 C ATOM 0 H ALA A 44 -0.869 -6.376 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.964 -4.297 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.384 -6.094 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.764 -6.241 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.081 -7.308 -2.819 1.00 0.00 H new ATOM 725 N ASN A 45 -4.136 -6.282 -1.023 1.00 0.00 N ATOM 726 CA ASN A 45 -5.537 -6.412 -0.659 1.00 0.00 C ATOM 727 C ASN A 45 -5.926 -5.262 0.272 1.00 0.00 C ATOM 728 O ASN A 45 -7.047 -4.758 0.206 1.00 0.00 O ATOM 729 CB ASN A 45 -5.794 -7.726 0.081 1.00 0.00 C ATOM 730 CG ASN A 45 -6.128 -8.852 -0.900 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.272 -9.238 -1.075 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.069 -9.354 -1.529 1.00 0.00 N ATOM 0 H ASN A 45 -3.526 -7.003 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.127 -6.393 -1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.914 -7.997 0.665 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.616 -7.596 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.188 -10.109 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.138 -8.984 -1.335 1.00 0.00 H new ATOM 739 N ILE A 46 -4.980 -4.880 1.116 1.00 0.00 N ATOM 740 CA ILE A 46 -5.210 -3.798 2.059 1.00 0.00 C ATOM 741 C ILE A 46 -5.689 -2.559 1.300 1.00 0.00 C ATOM 742 O ILE A 46 -6.635 -1.895 1.721 1.00 0.00 O ATOM 743 CB ILE A 46 -3.961 -3.554 2.909 1.00 0.00 C ATOM 744 CG1 ILE A 46 -3.673 -4.751 3.817 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.084 -2.250 3.701 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.798 -4.342 5.003 1.00 0.00 C ATOM 0 H ILE A 46 -4.052 -5.300 1.167 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.999 -4.066 2.762 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.108 -3.446 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.611 -5.170 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.174 -5.534 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.184 -2.100 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.206 -1.415 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.950 -2.305 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.609 -5.212 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.851 -3.946 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.310 -3.577 5.586 1.00 0.00 H new ATOM 758 N LEU A 47 -5.014 -2.284 0.193 1.00 0.00 N ATOM 759 CA LEU A 47 -5.358 -1.137 -0.629 1.00 0.00 C ATOM 760 C LEU A 47 -6.863 -1.147 -0.906 1.00 0.00 C ATOM 761 O LEU A 47 -7.510 -0.101 -0.882 1.00 0.00 O ATOM 762 CB LEU A 47 -4.500 -1.107 -1.895 1.00 0.00 C ATOM 763 CG LEU A 47 -5.096 -1.793 -3.126 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.888 -0.799 -3.978 1.00 0.00 C ATOM 765 CD2 LEU A 47 -4.010 -2.505 -3.936 1.00 0.00 C ATOM 0 H LEU A 47 -4.230 -2.837 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.136 -0.210 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.296 -0.066 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.541 -1.575 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.797 -2.556 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.301 -1.312 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.700 -0.378 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.228 0.002 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.460 -2.984 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.267 -1.779 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.528 -3.260 -3.314 1.00 0.00 H new ATOM 777 N LYS A 48 -7.376 -2.341 -1.164 1.00 0.00 N ATOM 778 CA LYS A 48 -8.793 -2.502 -1.446 1.00 0.00 C ATOM 779 C LYS A 48 -9.607 -1.948 -0.275 1.00 0.00 C ATOM 780 O LYS A 48 -10.752 -1.533 -0.452 1.00 0.00 O ATOM 781 CB LYS A 48 -9.110 -3.960 -1.781 1.00 0.00 C ATOM 782 CG LYS A 48 -9.599 -4.097 -3.225 1.00 0.00 C ATOM 783 CD LYS A 48 -11.127 -4.163 -3.282 1.00 0.00 C ATOM 784 CE LYS A 48 -11.593 -5.333 -4.150 1.00 0.00 C ATOM 785 NZ LYS A 48 -13.034 -5.595 -3.936 1.00 0.00 N ATOM 0 H LYS A 48 -6.836 -3.206 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.074 -1.929 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.220 -4.572 -1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.872 -4.337 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.246 -3.251 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.176 -4.996 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.528 -4.271 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.520 -3.229 -3.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.410 -5.109 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.015 -6.225 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.334 -6.392 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.200 -5.829 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.582 -4.748 -4.188 1.00 0.00 H new ATOM 799 N GLU A 49 -8.985 -1.960 0.895 1.00 0.00 N ATOM 800 CA GLU A 49 -9.638 -1.465 2.094 1.00 0.00 C ATOM 801 C GLU A 49 -9.921 0.033 1.964 1.00 0.00 C ATOM 802 O GLU A 49 -10.645 0.605 2.779 1.00 0.00 O ATOM 803 CB GLU A 49 -8.797 -1.758 3.338 1.00 0.00 C ATOM 804 CG GLU A 49 -7.820 -0.615 3.620 1.00 0.00 C ATOM 805 CD GLU A 49 -8.399 0.361 4.647 1.00 0.00 C ATOM 806 OE1 GLU A 49 -8.678 -0.101 5.775 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.551 1.546 4.281 1.00 0.00 O ATOM 0 H GLU A 49 -8.036 -2.305 1.038 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.588 -1.986 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.451 -1.903 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.245 -2.687 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.878 -1.020 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.598 -0.085 2.694 1.00 0.00 H new ATOM 885 N VAL A 54 -2.906 1.143 -5.960 1.00 0.00 N ATOM 886 CA VAL A 54 -1.894 0.108 -5.827 1.00 0.00 C ATOM 887 C VAL A 54 -2.348 -1.142 -6.584 1.00 0.00 C ATOM 888 O VAL A 54 -3.465 -1.190 -7.096 1.00 0.00 O ATOM 889 CB VAL A 54 -1.609 -0.158 -4.348 1.00 0.00 C ATOM 890 CG1 VAL A 54 -0.112 -0.364 -4.107 1.00 0.00 C ATOM 891 CG2 VAL A 54 -2.156 0.970 -3.472 1.00 0.00 C ATOM 0 HA VAL A 54 -0.953 0.433 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.123 -1.077 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.064 -0.551 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.236 -1.217 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.432 0.530 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.940 0.755 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.684 1.911 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.234 1.048 -3.611 1.00 0.00 H new ATOM 901 N ALA A 55 -1.458 -2.122 -6.630 1.00 0.00 N ATOM 902 CA ALA A 55 -1.752 -3.369 -7.315 1.00 0.00 C ATOM 903 C ALA A 55 -0.552 -4.310 -7.192 1.00 0.00 C ATOM 904 O ALA A 55 0.577 -3.860 -7.005 1.00 0.00 O ATOM 905 CB ALA A 55 -2.117 -3.077 -8.772 1.00 0.00 C ATOM 0 H ALA A 55 -0.532 -2.078 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.608 -3.865 -6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.338 -4.012 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.993 -2.429 -8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.281 -2.581 -9.264 1.00 0.00 H new ATOM 911 N ARG A 56 -0.838 -5.599 -7.301 1.00 0.00 N ATOM 912 CA ARG A 56 0.204 -6.607 -7.204 1.00 0.00 C ATOM 913 C ARG A 56 1.510 -6.081 -7.803 1.00 0.00 C ATOM 914 O ARG A 56 2.577 -6.239 -7.212 1.00 0.00 O ATOM 915 CB ARG A 56 -0.202 -7.891 -7.931 1.00 0.00 C ATOM 916 CG ARG A 56 -1.433 -8.524 -7.279 1.00 0.00 C ATOM 917 CD ARG A 56 -1.079 -9.141 -5.924 1.00 0.00 C ATOM 918 NE ARG A 56 -2.260 -9.115 -5.033 1.00 0.00 N ATOM 919 CZ ARG A 56 -3.334 -9.902 -5.185 1.00 0.00 C ATOM 920 NH1 ARG A 56 -3.382 -10.782 -6.194 1.00 0.00 N ATOM 921 NH2 ARG A 56 -4.360 -9.809 -4.327 1.00 0.00 N ATOM 0 H ARG A 56 -1.776 -5.968 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 56 0.350 -6.832 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.413 -7.670 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.627 -8.599 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.208 -7.769 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.843 -9.291 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.738 -10.167 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.257 -8.590 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.256 -8.457 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.601 -10.853 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.199 -11.381 -6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.323 -9.139 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.177 -10.408 -4.443 1.00 0.00 H new ATOM 935 N ARG A 57 1.382 -5.465 -8.970 1.00 0.00 N ATOM 936 CA ARG A 57 2.538 -4.914 -9.656 1.00 0.00 C ATOM 937 C ARG A 57 3.209 -3.845 -8.791 1.00 0.00 C ATOM 938 O ARG A 57 4.405 -3.925 -8.516 1.00 0.00 O ATOM 939 CB ARG A 57 2.141 -4.299 -10.999 1.00 0.00 C ATOM 940 CG ARG A 57 3.107 -4.726 -12.105 1.00 0.00 C ATOM 941 CD ARG A 57 4.523 -4.220 -11.822 1.00 0.00 C ATOM 942 NE ARG A 57 5.309 -4.186 -13.076 1.00 0.00 N ATOM 943 CZ ARG A 57 5.169 -3.250 -14.024 1.00 0.00 C ATOM 944 NH1 ARG A 57 4.272 -2.267 -13.868 1.00 0.00 N ATOM 945 NH2 ARG A 57 5.925 -3.298 -15.130 1.00 0.00 N ATOM 0 H ARG A 57 0.495 -5.336 -9.457 1.00 0.00 H new ATOM 0 HA ARG A 57 3.236 -5.731 -9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.128 -4.606 -11.258 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.134 -3.212 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.115 -5.813 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.763 -4.337 -13.063 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.481 -3.223 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.011 -4.869 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 57 6.000 -4.921 -13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.696 -2.231 -13.027 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.166 -1.554 -14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.607 -4.047 -15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.818 -2.585 -15.852 1.00 0.00 H new ATOM 959 N THR A 58 2.409 -2.869 -8.388 1.00 0.00 N ATOM 960 CA THR A 58 2.911 -1.784 -7.560 1.00 0.00 C ATOM 961 C THR A 58 3.468 -2.332 -6.245 1.00 0.00 C ATOM 962 O THR A 58 4.526 -1.901 -5.788 1.00 0.00 O ATOM 963 CB THR A 58 1.778 -0.775 -7.367 1.00 0.00 C ATOM 964 OG1 THR A 58 1.899 0.102 -8.484 1.00 0.00 O ATOM 965 CG2 THR A 58 2.002 0.133 -6.156 1.00 0.00 C ATOM 0 H THR A 58 1.417 -2.806 -8.619 1.00 0.00 H new ATOM 0 HA THR A 58 3.744 -1.271 -8.041 1.00 0.00 H new ATOM 0 HB THR A 58 0.834 -1.308 -7.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.200 0.788 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.169 0.830 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.068 -0.474 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.929 0.691 -6.286 1.00 0.00 H new ATOM 973 N VAL A 59 2.731 -3.273 -5.673 1.00 0.00 N ATOM 974 CA VAL A 59 3.139 -3.883 -4.419 1.00 0.00 C ATOM 975 C VAL A 59 4.441 -4.658 -4.633 1.00 0.00 C ATOM 976 O VAL A 59 5.375 -4.539 -3.841 1.00 0.00 O ATOM 977 CB VAL A 59 2.008 -4.756 -3.870 1.00 0.00 C ATOM 978 CG1 VAL A 59 2.167 -4.975 -2.364 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.641 -4.150 -4.195 1.00 0.00 C ATOM 0 H VAL A 59 1.854 -3.628 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 59 3.336 -3.118 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 59 2.068 -5.729 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.351 -5.598 -1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.118 -5.470 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.146 -4.013 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.145 -4.790 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.566 -3.159 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.527 -4.069 -5.276 1.00 0.00 H new ATOM 989 N ALA A 60 4.462 -5.432 -5.708 1.00 0.00 N ATOM 990 CA ALA A 60 5.634 -6.226 -6.036 1.00 0.00 C ATOM 991 C ALA A 60 6.859 -5.312 -6.109 1.00 0.00 C ATOM 992 O ALA A 60 7.927 -5.659 -5.608 1.00 0.00 O ATOM 993 CB ALA A 60 5.390 -6.980 -7.345 1.00 0.00 C ATOM 0 H ALA A 60 3.686 -5.526 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 60 5.823 -6.970 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.269 -7.576 -7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.527 -7.636 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.200 -6.266 -8.146 1.00 0.00 H new ATOM 999 N LYS A 61 6.663 -4.162 -6.737 1.00 0.00 N ATOM 1000 CA LYS A 61 7.738 -3.196 -6.882 1.00 0.00 C ATOM 1001 C LYS A 61 8.156 -2.692 -5.499 1.00 0.00 C ATOM 1002 O LYS A 61 9.346 -2.596 -5.203 1.00 0.00 O ATOM 1003 CB LYS A 61 7.329 -2.079 -7.845 1.00 0.00 C ATOM 1004 CG LYS A 61 8.492 -1.692 -8.761 1.00 0.00 C ATOM 1005 CD LYS A 61 7.991 -0.935 -9.993 1.00 0.00 C ATOM 1006 CE LYS A 61 9.064 -0.888 -11.082 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.359 0.512 -11.460 1.00 0.00 N ATOM 0 H LYS A 61 5.775 -3.878 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 61 8.614 -3.666 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.481 -2.405 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.002 -1.207 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.201 -1.072 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.027 -2.589 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.095 -1.418 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.709 0.080 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.973 -1.374 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.727 -1.444 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.089 0.525 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.494 0.964 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.701 1.032 -10.627 1.00 0.00 H new ATOM 1021 N TYR A 62 7.154 -2.385 -4.688 1.00 0.00 N ATOM 1022 CA TYR A 62 7.402 -1.895 -3.343 1.00 0.00 C ATOM 1023 C TYR A 62 8.039 -2.980 -2.473 1.00 0.00 C ATOM 1024 O TYR A 62 8.941 -2.698 -1.685 1.00 0.00 O ATOM 1025 CB TYR A 62 6.031 -1.535 -2.766 1.00 0.00 C ATOM 1026 CG TYR A 62 5.529 -0.149 -3.175 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.618 0.257 -4.491 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.986 0.696 -2.228 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.145 1.562 -4.876 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.513 2.000 -2.613 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.616 2.369 -3.918 1.00 0.00 C ATOM 1032 OH TYR A 62 4.169 3.601 -4.282 1.00 0.00 O ATOM 0 H TYR A 62 6.168 -2.466 -4.937 1.00 0.00 H new ATOM 0 HA TYR A 62 8.083 -1.045 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.305 -2.282 -3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.081 -1.586 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.042 -0.404 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.916 0.379 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.209 1.892 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.086 2.670 -1.882 1.00 0.00 H new ATOM 0 HH TYR A 62 3.855 3.574 -5.210 1.00 0.00 H new ATOM 1042 N ARG A 63 7.546 -4.197 -2.645 1.00 0.00 N ATOM 1043 CA ARG A 63 8.056 -5.326 -1.885 1.00 0.00 C ATOM 1044 C ARG A 63 9.584 -5.279 -1.826 1.00 0.00 C ATOM 1045 O ARG A 63 10.178 -5.553 -0.784 1.00 0.00 O ATOM 1046 CB ARG A 63 7.617 -6.653 -2.507 1.00 0.00 C ATOM 1047 CG ARG A 63 8.159 -7.839 -1.707 1.00 0.00 C ATOM 1048 CD ARG A 63 7.037 -8.814 -1.344 1.00 0.00 C ATOM 1049 NE ARG A 63 7.589 -9.964 -0.594 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.326 -10.937 -1.147 1.00 0.00 C ATOM 1051 NH1 ARG A 63 8.604 -10.905 -2.457 1.00 0.00 N ATOM 1052 NH2 ARG A 63 8.785 -11.942 -0.389 1.00 0.00 N ATOM 0 H ARG A 63 6.798 -4.427 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 63 7.648 -5.258 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.529 -6.700 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.972 -6.711 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.921 -8.357 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.641 -7.479 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.283 -8.306 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.541 -9.164 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 63 7.397 -10.020 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.255 -10.140 -3.034 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.165 -11.646 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.573 -11.966 0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.346 -12.683 -0.809 1.00 0.00 H new ATOM 1066 N GLU A 64 10.178 -4.929 -2.958 1.00 0.00 N ATOM 1067 CA GLU A 64 11.625 -4.842 -3.048 1.00 0.00 C ATOM 1068 C GLU A 64 12.138 -3.656 -2.230 1.00 0.00 C ATOM 1069 O GLU A 64 13.196 -3.737 -1.608 1.00 0.00 O ATOM 1070 CB GLU A 64 12.079 -4.740 -4.506 1.00 0.00 C ATOM 1071 CG GLU A 64 13.581 -5.002 -4.632 1.00 0.00 C ATOM 1072 CD GLU A 64 14.053 -4.799 -6.074 1.00 0.00 C ATOM 1073 OE1 GLU A 64 14.309 -3.628 -6.428 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.147 -5.820 -6.789 1.00 0.00 O ATOM 0 H GLU A 64 9.683 -4.702 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 64 12.050 -5.756 -2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.529 -5.459 -5.113 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.845 -3.749 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.128 -4.332 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.805 -6.020 -4.312 1.00 0.00 H new ATOM 1081 N MET A 65 11.364 -2.580 -2.257 1.00 0.00 N ATOM 1082 CA MET A 65 11.727 -1.379 -1.526 1.00 0.00 C ATOM 1083 C MET A 65 11.662 -1.615 -0.015 1.00 0.00 C ATOM 1084 O MET A 65 12.499 -1.111 0.732 1.00 0.00 O ATOM 1085 CB MET A 65 10.776 -0.242 -1.906 1.00 0.00 C ATOM 1086 CG MET A 65 11.322 0.556 -3.091 1.00 0.00 C ATOM 1087 SD MET A 65 10.962 -0.294 -4.619 1.00 0.00 S ATOM 1088 CE MET A 65 9.518 0.612 -5.145 1.00 0.00 C ATOM 0 H MET A 65 10.487 -2.516 -2.774 1.00 0.00 H new ATOM 0 HA MET A 65 12.750 -1.112 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.797 -0.651 -2.158 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.635 0.420 -1.051 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.877 1.551 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.399 0.690 -2.985 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.940 0.003 -5.840 1.00 0.00 H new ATOM 0 HE2 MET A 65 8.904 0.854 -4.277 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.827 1.533 -5.640 1.00 0.00 H new ATOM 1098 N LEU A 66 10.660 -2.382 0.388 1.00 0.00 N ATOM 1099 CA LEU A 66 10.475 -2.692 1.796 1.00 0.00 C ATOM 1100 C LEU A 66 11.379 -3.865 2.179 1.00 0.00 C ATOM 1101 O LEU A 66 12.286 -3.714 2.996 1.00 0.00 O ATOM 1102 CB LEU A 66 8.995 -2.930 2.102 1.00 0.00 C ATOM 1103 CG LEU A 66 8.080 -1.709 1.984 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.882 -0.411 2.096 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.255 -1.764 0.697 1.00 0.00 C ATOM 0 H LEU A 66 9.968 -2.798 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 66 10.772 -1.845 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.625 -3.703 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.913 -3.324 3.115 1.00 0.00 H new ATOM 0 HG LEU A 66 7.377 -1.727 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.208 0.442 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.387 -0.377 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.623 -0.371 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.614 -0.885 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.924 -1.783 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.639 -2.663 0.698 1.00 0.00 H new