USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -135:sc= -0.469 (180deg=-1.98!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -135:sc= 0.0501 (180deg=-0.0337) USER MOD Set 2.2: A 70 TYR OH : rot 150:sc= -0.699 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -169:sc= -3.27 (180deg=-3.9!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 38 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.42) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0492 F(o=-1.3,f=-0.049) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 66:sc= 1.05 USER MOD Single : A 58 MET CE :methyl -138:sc= -0.0322 (180deg=-1.02) USER MOD Single : A 60 ASN : amide:sc= -0.0553 K(o=-0.055,f=-0.59) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -149:sc= -0.146 (180deg=-0.666) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 6.132 1.797 6.837 1.00 0.00 N ATOM 320 CA VAL A 25 5.469 0.619 6.291 1.00 0.00 C ATOM 321 C VAL A 25 6.414 -0.579 6.273 1.00 0.00 C ATOM 322 O VAL A 25 6.866 -1.013 5.212 1.00 0.00 O ATOM 323 CB VAL A 25 4.951 0.875 4.863 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.079 -0.280 4.397 1.00 0.00 C ATOM 325 CG2 VAL A 25 4.189 2.190 4.798 1.00 0.00 C ATOM 0 HA VAL A 25 4.621 0.402 6.940 1.00 0.00 H new ATOM 0 HB VAL A 25 5.808 0.946 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.722 -0.082 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.662 -1.201 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.227 -0.386 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.831 2.353 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.340 2.152 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.850 3.008 5.086 1.00 0.00 H new ATOM 335 N SER A 26 6.711 -1.108 7.456 1.00 0.00 N ATOM 336 CA SER A 26 7.605 -2.255 7.580 1.00 0.00 C ATOM 337 C SER A 26 7.089 -3.440 6.769 1.00 0.00 C ATOM 338 O SER A 26 5.998 -3.389 6.201 1.00 0.00 O ATOM 339 CB SER A 26 7.754 -2.654 9.049 1.00 0.00 C ATOM 340 OG SER A 26 9.084 -3.047 9.338 1.00 0.00 O ATOM 0 H SER A 26 6.346 -0.761 8.343 1.00 0.00 H new ATOM 0 HA SER A 26 8.580 -1.967 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.472 -1.816 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.072 -3.473 9.278 1.00 0.00 H new ATOM 0 HG SER A 26 9.154 -3.296 10.283 1.00 0.00 H new ATOM 346 N ALA A 27 7.881 -4.506 6.721 1.00 0.00 N ATOM 347 CA ALA A 27 7.505 -5.705 5.980 1.00 0.00 C ATOM 348 C ALA A 27 6.195 -6.283 6.503 1.00 0.00 C ATOM 349 O ALA A 27 5.400 -6.834 5.743 1.00 0.00 O ATOM 350 CB ALA A 27 8.613 -6.744 6.060 1.00 0.00 C ATOM 0 H ALA A 27 8.787 -4.564 7.186 1.00 0.00 H new ATOM 0 HA ALA A 27 7.359 -5.427 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.319 -7.633 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.528 -6.334 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.787 -7.010 7.102 1.00 0.00 H new ATOM 356 N MET A 28 5.976 -6.152 7.808 1.00 0.00 N ATOM 357 CA MET A 28 4.761 -6.660 8.434 1.00 0.00 C ATOM 358 C MET A 28 3.525 -6.001 7.833 1.00 0.00 C ATOM 359 O MET A 28 2.505 -6.654 7.615 1.00 0.00 O ATOM 360 CB MET A 28 4.801 -6.418 9.944 1.00 0.00 C ATOM 361 CG MET A 28 3.607 -6.993 10.685 1.00 0.00 C ATOM 362 SD MET A 28 3.884 -8.688 11.238 1.00 0.00 S ATOM 363 CE MET A 28 2.589 -9.549 10.348 1.00 0.00 C ATOM 0 H MET A 28 6.624 -5.698 8.452 1.00 0.00 H new ATOM 0 HA MET A 28 4.706 -7.732 8.247 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.714 -6.855 10.349 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.851 -5.345 10.130 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.383 -6.365 11.548 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.733 -6.965 10.035 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.501 -10.567 10.728 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.643 -9.026 10.487 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.835 -9.578 9.286 1.00 0.00 H new ATOM 373 N PHE A 29 3.624 -4.702 7.567 1.00 0.00 N ATOM 374 CA PHE A 29 2.516 -3.953 6.991 1.00 0.00 C ATOM 375 C PHE A 29 2.233 -4.413 5.564 1.00 0.00 C ATOM 376 O PHE A 29 1.082 -4.634 5.188 1.00 0.00 O ATOM 377 CB PHE A 29 2.823 -2.454 7.004 1.00 0.00 C ATOM 378 CG PHE A 29 1.645 -1.596 6.641 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.154 -1.583 5.344 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.029 -0.803 7.595 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.070 -0.794 5.008 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.055 -0.012 7.264 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.535 -0.007 5.968 1.00 0.00 C ATOM 0 H PHE A 29 4.462 -4.147 7.742 1.00 0.00 H new ATOM 0 HA PHE A 29 1.630 -4.140 7.598 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.175 -2.172 7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.637 -2.252 6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.624 -2.196 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.400 -0.803 8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.304 -0.793 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.526 0.602 8.017 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.381 0.611 5.707 1.00 0.00 H new ATOM 393 N ILE A 30 3.293 -4.555 4.774 1.00 0.00 N ATOM 394 CA ILE A 30 3.159 -4.991 3.389 1.00 0.00 C ATOM 395 C ILE A 30 2.553 -6.388 3.311 1.00 0.00 C ATOM 396 O ILE A 30 1.604 -6.623 2.564 1.00 0.00 O ATOM 397 CB ILE A 30 4.520 -4.990 2.664 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.215 -3.638 2.835 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.337 -5.314 1.188 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.709 -3.748 3.045 1.00 0.00 C ATOM 0 H ILE A 30 4.253 -4.375 5.069 1.00 0.00 H new ATOM 0 HA ILE A 30 2.495 -4.281 2.896 1.00 0.00 H new ATOM 0 HB ILE A 30 5.150 -5.760 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.024 -3.027 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.774 -3.117 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.307 -5.309 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.882 -6.299 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.691 -4.566 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.135 -2.751 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.908 -4.332 3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.162 -4.240 2.184 1.00 0.00 H new ATOM 412 N PHE A 31 3.108 -7.312 4.089 1.00 0.00 N ATOM 413 CA PHE A 31 2.621 -8.686 4.110 1.00 0.00 C ATOM 414 C PHE A 31 1.202 -8.750 4.665 1.00 0.00 C ATOM 415 O PHE A 31 0.364 -9.503 4.171 1.00 0.00 O ATOM 416 CB PHE A 31 3.550 -9.565 4.948 1.00 0.00 C ATOM 417 CG PHE A 31 3.155 -11.015 4.961 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.517 -11.853 3.918 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.424 -11.539 6.015 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.156 -13.187 3.926 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.061 -12.872 6.029 1.00 0.00 C ATOM 422 CZ PHE A 31 2.427 -13.698 4.984 1.00 0.00 C ATOM 0 H PHE A 31 3.895 -7.134 4.713 1.00 0.00 H new ATOM 0 HA PHE A 31 2.608 -9.058 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.566 -9.477 4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.564 -9.192 5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.087 -11.459 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.135 -10.898 6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.443 -13.830 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.491 -13.268 6.857 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.144 -14.740 4.993 1.00 0.00 H new ATOM 432 N SER A 32 0.940 -7.953 5.696 1.00 0.00 N ATOM 433 CA SER A 32 -0.377 -7.917 6.320 1.00 0.00 C ATOM 434 C SER A 32 -1.388 -7.188 5.438 1.00 0.00 C ATOM 435 O SER A 32 -2.597 -7.356 5.597 1.00 0.00 O ATOM 436 CB SER A 32 -0.296 -7.238 7.688 1.00 0.00 C ATOM 437 OG SER A 32 -1.542 -7.296 8.362 1.00 0.00 O ATOM 0 H SER A 32 1.623 -7.323 6.117 1.00 0.00 H new ATOM 0 HA SER A 32 -0.715 -8.946 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.471 -7.722 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.006 -6.198 7.564 1.00 0.00 H new ATOM 0 HG SER A 32 -1.463 -6.856 9.234 1.00 0.00 H new ATOM 443 N GLU A 33 -0.890 -6.376 4.510 1.00 0.00 N ATOM 444 CA GLU A 33 -1.755 -5.622 3.609 1.00 0.00 C ATOM 445 C GLU A 33 -1.892 -6.326 2.262 1.00 0.00 C ATOM 446 O GLU A 33 -2.916 -6.203 1.589 1.00 0.00 O ATOM 447 CB GLU A 33 -1.205 -4.210 3.406 1.00 0.00 C ATOM 448 CG GLU A 33 -2.213 -3.245 2.803 1.00 0.00 C ATOM 449 CD GLU A 33 -1.562 -2.193 1.927 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.342 -1.968 2.078 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.270 -1.594 1.091 1.00 0.00 O ATOM 0 H GLU A 33 0.108 -6.223 4.362 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.743 -5.559 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.869 -3.818 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.330 -4.260 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.939 -3.805 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.765 -2.754 3.605 1.00 0.00 H new ATOM 458 N GLU A 34 -0.855 -7.059 1.873 1.00 0.00 N ATOM 459 CA GLU A 34 -0.862 -7.777 0.603 1.00 0.00 C ATOM 460 C GLU A 34 -1.488 -9.160 0.758 1.00 0.00 C ATOM 461 O GLU A 34 -2.099 -9.683 -0.174 1.00 0.00 O ATOM 462 CB GLU A 34 0.561 -7.908 0.060 1.00 0.00 C ATOM 463 CG GLU A 34 0.633 -7.924 -1.459 1.00 0.00 C ATOM 464 CD GLU A 34 2.058 -7.983 -1.974 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.749 -6.943 -1.932 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.484 -9.069 -2.420 1.00 0.00 O ATOM 0 H GLU A 34 0.000 -7.172 2.417 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.464 -7.205 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.162 -7.080 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.006 -8.825 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.078 -8.783 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.145 -7.032 -1.852 1.00 0.00 H new ATOM 473 N LYS A 35 -1.329 -9.749 1.939 1.00 0.00 N ATOM 474 CA LYS A 35 -1.878 -11.072 2.211 1.00 0.00 C ATOM 475 C LYS A 35 -3.349 -10.984 2.606 1.00 0.00 C ATOM 476 O LYS A 35 -4.122 -11.911 2.363 1.00 0.00 O ATOM 477 CB LYS A 35 -1.081 -11.760 3.321 1.00 0.00 C ATOM 478 CG LYS A 35 0.387 -11.961 2.980 1.00 0.00 C ATOM 479 CD LYS A 35 0.607 -13.241 2.191 1.00 0.00 C ATOM 480 CE LYS A 35 1.577 -13.028 1.040 1.00 0.00 C ATOM 481 NZ LYS A 35 2.273 -14.287 0.659 1.00 0.00 N ATOM 0 H LYS A 35 -0.825 -9.332 2.722 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.802 -11.662 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.156 -11.167 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.532 -12.729 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.747 -11.110 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.973 -11.993 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.992 -14.016 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.347 -13.598 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.037 -12.637 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.315 -12.277 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.287 -14.097 0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.147 -14.994 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.872 -14.651 -0.229 1.00 0.00 H new ATOM 495 N ARG A 36 -3.730 -9.866 3.215 1.00 0.00 N ATOM 496 CA ARG A 36 -5.110 -9.661 3.642 1.00 0.00 C ATOM 497 C ARG A 36 -6.067 -9.770 2.459 1.00 0.00 C ATOM 498 O ARG A 36 -7.086 -10.456 2.533 1.00 0.00 O ATOM 499 CB ARG A 36 -5.262 -8.294 4.311 1.00 0.00 C ATOM 500 CG ARG A 36 -6.668 -8.017 4.815 1.00 0.00 C ATOM 501 CD ARG A 36 -6.900 -6.530 5.030 1.00 0.00 C ATOM 502 NE ARG A 36 -6.826 -5.778 3.780 1.00 0.00 N ATOM 503 CZ ARG A 36 -7.174 -4.499 3.663 1.00 0.00 C ATOM 504 NH1 ARG A 36 -7.621 -3.827 4.716 1.00 0.00 N ATOM 505 NH2 ARG A 36 -7.074 -3.890 2.489 1.00 0.00 N ATOM 0 H ARG A 36 -3.104 -9.089 3.424 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.360 -10.440 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.566 -8.228 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.980 -7.517 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.395 -8.400 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.832 -8.551 5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.878 -6.378 5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.158 -6.145 5.729 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.488 -6.262 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.699 -4.291 5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.886 -2.847 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.731 -4.402 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.341 -2.910 2.399 1.00 0.00 H new ATOM 519 N ARG A 37 -5.730 -9.091 1.367 1.00 0.00 N ATOM 520 CA ARG A 37 -6.559 -9.113 0.168 1.00 0.00 C ATOM 521 C ARG A 37 -6.698 -10.535 -0.369 1.00 0.00 C ATOM 522 O ARG A 37 -7.724 -10.894 -0.946 1.00 0.00 O ATOM 523 CB ARG A 37 -5.962 -8.203 -0.908 1.00 0.00 C ATOM 524 CG ARG A 37 -6.587 -6.817 -0.948 1.00 0.00 C ATOM 525 CD ARG A 37 -7.749 -6.755 -1.926 1.00 0.00 C ATOM 526 NE ARG A 37 -7.528 -5.763 -2.976 1.00 0.00 N ATOM 527 CZ ARG A 37 -7.709 -4.454 -2.811 1.00 0.00 C ATOM 528 NH1 ARG A 37 -8.115 -3.977 -1.641 1.00 0.00 N ATOM 529 NH2 ARG A 37 -7.485 -3.622 -3.818 1.00 0.00 N ATOM 0 H ARG A 37 -4.889 -8.519 1.288 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.550 -8.745 0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.890 -8.104 -0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.085 -8.676 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.935 -6.545 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.832 -6.085 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.895 -7.736 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.665 -6.514 -1.386 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.217 -6.093 -3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.290 -4.614 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.252 -2.974 -1.519 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.174 -3.984 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.624 -2.619 -3.692 1.00 0.00 H new ATOM 543 N GLN A 38 -5.658 -11.339 -0.174 1.00 0.00 N ATOM 544 CA GLN A 38 -5.664 -12.722 -0.636 1.00 0.00 C ATOM 545 C GLN A 38 -6.564 -13.583 0.242 1.00 0.00 C ATOM 546 O GLN A 38 -7.214 -14.512 -0.240 1.00 0.00 O ATOM 547 CB GLN A 38 -4.242 -13.286 -0.640 1.00 0.00 C ATOM 548 CG GLN A 38 -3.410 -12.829 -1.828 1.00 0.00 C ATOM 549 CD GLN A 38 -2.290 -13.795 -2.160 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.497 -15.006 -2.224 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.092 -13.261 -2.374 1.00 0.00 N ATOM 0 H GLN A 38 -4.801 -11.057 0.301 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.056 -12.739 -1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.740 -12.989 0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.292 -14.375 -0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.057 -12.715 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.987 -11.847 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.965 -12.251 -2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.299 -13.861 -2.602 1.00 0.00 H new ATOM 560 N LEU A 39 -6.599 -13.269 1.533 1.00 0.00 N ATOM 561 CA LEU A 39 -7.422 -14.015 2.479 1.00 0.00 C ATOM 562 C LEU A 39 -8.864 -13.520 2.451 1.00 0.00 C ATOM 563 O LEU A 39 -9.802 -14.302 2.598 1.00 0.00 O ATOM 564 CB LEU A 39 -6.853 -13.886 3.894 1.00 0.00 C ATOM 565 CG LEU A 39 -5.645 -14.779 4.190 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.884 -14.265 5.404 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.090 -16.219 4.404 1.00 0.00 C ATOM 0 H LEU A 39 -6.068 -12.504 1.948 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.411 -15.065 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.568 -12.847 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.642 -14.119 4.609 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.975 -14.750 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.029 -14.913 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.534 -13.251 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.543 -14.263 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.220 -16.841 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.780 -16.265 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.589 -16.583 3.506 1.00 0.00 H new ATOM 579 N GLN A 40 -9.032 -12.215 2.261 1.00 0.00 N ATOM 580 CA GLN A 40 -10.360 -11.615 2.212 1.00 0.00 C ATOM 581 C GLN A 40 -11.139 -12.115 1.000 1.00 0.00 C ATOM 582 O GLN A 40 -12.316 -12.462 1.105 1.00 0.00 O ATOM 583 CB GLN A 40 -10.252 -10.088 2.174 1.00 0.00 C ATOM 584 CG GLN A 40 -11.090 -9.392 3.233 1.00 0.00 C ATOM 585 CD GLN A 40 -10.753 -7.921 3.368 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.765 -7.614 4.201 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -11.372 -7.069 2.731 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.265 -11.553 2.139 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.899 -11.910 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.208 -9.803 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.559 -9.735 1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.146 -9.498 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.939 -9.885 4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.124 -7.349 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.133 -6.083 2.832 1.00 0.00 H new ATOM 596 N GLU A 41 -10.474 -12.151 -0.151 1.00 0.00 N ATOM 597 CA GLU A 41 -11.104 -12.610 -1.383 1.00 0.00 C ATOM 598 C GLU A 41 -11.454 -14.092 -1.294 1.00 0.00 C ATOM 599 O GLU A 41 -12.585 -14.491 -1.575 1.00 0.00 O ATOM 600 CB GLU A 41 -10.180 -12.362 -2.576 1.00 0.00 C ATOM 601 CG GLU A 41 -10.155 -10.914 -3.035 1.00 0.00 C ATOM 602 CD GLU A 41 -10.238 -10.777 -4.543 1.00 0.00 C ATOM 603 OE1 GLU A 41 -9.861 -11.737 -5.248 1.00 0.00 O ATOM 604 OE2 GLU A 41 -10.681 -9.711 -5.020 1.00 0.00 O ATOM 0 H GLU A 41 -9.500 -11.868 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.026 -12.045 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.168 -12.668 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.496 -12.992 -3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.988 -10.378 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.239 -10.441 -2.681 1.00 0.00 H new ATOM 611 N GLU A 42 -10.478 -14.903 -0.898 1.00 0.00 N ATOM 612 CA GLU A 42 -10.685 -16.341 -0.771 1.00 0.00 C ATOM 613 C GLU A 42 -11.663 -16.649 0.358 1.00 0.00 C ATOM 614 O GLU A 42 -12.407 -17.629 0.299 1.00 0.00 O ATOM 615 CB GLU A 42 -9.353 -17.049 -0.514 1.00 0.00 C ATOM 616 CG GLU A 42 -8.293 -16.749 -1.561 1.00 0.00 C ATOM 617 CD GLU A 42 -8.468 -17.576 -2.820 1.00 0.00 C ATOM 618 OE1 GLU A 42 -9.590 -17.594 -3.368 1.00 0.00 O ATOM 619 OE2 GLU A 42 -7.482 -18.205 -3.258 1.00 0.00 O ATOM 0 H GLU A 42 -9.537 -14.589 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.108 -16.707 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.978 -16.754 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.524 -18.125 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.330 -15.690 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.306 -16.940 -1.139 1.00 0.00 H new ATOM 626 N ARG A 43 -11.659 -15.805 1.385 1.00 0.00 N ATOM 627 CA ARG A 43 -12.547 -15.984 2.528 1.00 0.00 C ATOM 628 C ARG A 43 -13.388 -14.732 2.765 1.00 0.00 C ATOM 629 O ARG A 43 -13.082 -13.926 3.643 1.00 0.00 O ATOM 630 CB ARG A 43 -11.736 -16.313 3.783 1.00 0.00 C ATOM 631 CG ARG A 43 -10.649 -17.352 3.552 1.00 0.00 C ATOM 632 CD ARG A 43 -10.860 -18.587 4.414 1.00 0.00 C ATOM 633 NE ARG A 43 -9.606 -19.285 4.687 1.00 0.00 N ATOM 634 CZ ARG A 43 -8.920 -19.963 3.769 1.00 0.00 C ATOM 635 NH1 ARG A 43 -9.363 -20.036 2.520 1.00 0.00 N ATOM 636 NH2 ARG A 43 -7.788 -20.569 4.100 1.00 0.00 N ATOM 0 H ARG A 43 -11.050 -14.989 1.449 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.218 -16.815 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.278 -15.398 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.412 -16.673 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.638 -17.639 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.675 -16.915 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.326 -18.296 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.551 -19.265 3.913 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.234 -19.251 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.233 -19.571 2.259 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.834 -20.557 1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.442 -20.516 5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.263 -21.088 3.396 1.00 0.00 H new ATOM 650 N PRO A 44 -14.464 -14.552 1.979 1.00 0.00 N ATOM 651 CA PRO A 44 -15.351 -13.391 2.106 1.00 0.00 C ATOM 652 C PRO A 44 -16.124 -13.391 3.422 1.00 0.00 C ATOM 653 O PRO A 44 -16.640 -12.357 3.849 1.00 0.00 O ATOM 654 CB PRO A 44 -16.312 -13.539 0.923 1.00 0.00 C ATOM 655 CG PRO A 44 -16.292 -14.992 0.595 1.00 0.00 C ATOM 656 CD PRO A 44 -14.900 -15.466 0.907 1.00 0.00 C ATOM 0 HA PRO A 44 -14.793 -12.455 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.316 -13.207 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.989 -12.937 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.031 -15.536 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.535 -15.159 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.893 -16.505 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.249 -15.404 0.035 1.00 0.00 H new ATOM 664 N GLU A 45 -16.203 -14.554 4.061 1.00 0.00 N ATOM 665 CA GLU A 45 -16.913 -14.683 5.328 1.00 0.00 C ATOM 666 C GLU A 45 -16.118 -14.045 6.462 1.00 0.00 C ATOM 667 O GLU A 45 -16.690 -13.484 7.397 1.00 0.00 O ATOM 668 CB GLU A 45 -17.178 -16.156 5.643 1.00 0.00 C ATOM 669 CG GLU A 45 -15.953 -17.042 5.481 1.00 0.00 C ATOM 670 CD GLU A 45 -16.121 -18.394 6.146 1.00 0.00 C ATOM 671 OE1 GLU A 45 -16.929 -18.494 7.094 1.00 0.00 O ATOM 672 OE2 GLU A 45 -15.446 -19.355 5.718 1.00 0.00 O ATOM 0 H GLU A 45 -15.784 -15.420 3.722 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.866 -14.162 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.544 -16.240 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.970 -16.522 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.751 -17.186 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.085 -16.537 5.906 1.00 0.00 H new ATOM 679 N LEU A 46 -14.797 -14.136 6.371 1.00 0.00 N ATOM 680 CA LEU A 46 -13.920 -13.571 7.388 1.00 0.00 C ATOM 681 C LEU A 46 -13.796 -12.059 7.222 1.00 0.00 C ATOM 682 O LEU A 46 -14.122 -11.513 6.168 1.00 0.00 O ATOM 683 CB LEU A 46 -12.536 -14.219 7.314 1.00 0.00 C ATOM 684 CG LEU A 46 -12.462 -15.650 7.849 1.00 0.00 C ATOM 685 CD1 LEU A 46 -11.032 -16.167 7.794 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.999 -15.715 9.270 1.00 0.00 C ATOM 0 H LEU A 46 -14.309 -14.596 5.602 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.358 -13.776 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.206 -14.218 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.832 -13.602 7.872 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.082 -16.287 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.999 -17.186 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.681 -16.157 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.391 -15.529 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.939 -16.740 9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.406 -15.065 9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.038 -15.386 9.282 1.00 0.00 H new ATOM 698 N SER A 47 -13.323 -11.391 8.269 1.00 0.00 N ATOM 699 CA SER A 47 -13.157 -9.941 8.239 1.00 0.00 C ATOM 700 C SER A 47 -11.711 -9.553 8.532 1.00 0.00 C ATOM 701 O SER A 47 -10.905 -10.386 8.944 1.00 0.00 O ATOM 702 CB SER A 47 -14.089 -9.280 9.255 1.00 0.00 C ATOM 703 OG SER A 47 -15.448 -9.536 8.941 1.00 0.00 O ATOM 0 H SER A 47 -13.048 -11.829 9.148 1.00 0.00 H new ATOM 0 HA SER A 47 -13.413 -9.591 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.867 -9.654 10.254 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.912 -8.205 9.270 1.00 0.00 H new ATOM 0 HG SER A 47 -16.024 -9.104 9.606 1.00 0.00 H new ATOM 709 N GLU A 48 -11.391 -8.281 8.316 1.00 0.00 N ATOM 710 CA GLU A 48 -10.042 -7.781 8.556 1.00 0.00 C ATOM 711 C GLU A 48 -9.644 -7.968 10.017 1.00 0.00 C ATOM 712 O GLU A 48 -8.475 -8.197 10.328 1.00 0.00 O ATOM 713 CB GLU A 48 -9.950 -6.302 8.176 1.00 0.00 C ATOM 714 CG GLU A 48 -8.542 -5.735 8.274 1.00 0.00 C ATOM 715 CD GLU A 48 -8.488 -4.442 9.066 1.00 0.00 C ATOM 716 OE1 GLU A 48 -9.167 -4.357 10.110 1.00 0.00 O ATOM 717 OE2 GLU A 48 -7.764 -3.516 8.641 1.00 0.00 O ATOM 0 H GLU A 48 -12.047 -7.578 7.975 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.353 -8.353 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.314 -6.174 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.610 -5.727 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.889 -6.472 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.155 -5.559 7.271 1.00 0.00 H new ATOM 724 N SER A 49 -10.624 -7.868 10.909 1.00 0.00 N ATOM 725 CA SER A 49 -10.376 -8.027 12.337 1.00 0.00 C ATOM 726 C SER A 49 -9.872 -9.433 12.649 1.00 0.00 C ATOM 727 O SER A 49 -8.949 -9.612 13.444 1.00 0.00 O ATOM 728 CB SER A 49 -11.651 -7.738 13.133 1.00 0.00 C ATOM 729 OG SER A 49 -11.528 -6.536 13.875 1.00 0.00 O ATOM 0 H SER A 49 -11.597 -7.678 10.668 1.00 0.00 H new ATOM 0 HA SER A 49 -9.606 -7.313 12.629 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.499 -7.664 12.453 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.857 -8.567 13.810 1.00 0.00 H new ATOM 0 HG SER A 49 -12.356 -6.373 14.373 1.00 0.00 H new ATOM 735 N GLU A 50 -10.485 -10.428 12.015 1.00 0.00 N ATOM 736 CA GLU A 50 -10.099 -11.819 12.224 1.00 0.00 C ATOM 737 C GLU A 50 -8.866 -12.171 11.398 1.00 0.00 C ATOM 738 O GLU A 50 -8.034 -12.976 11.817 1.00 0.00 O ATOM 739 CB GLU A 50 -11.255 -12.751 11.858 1.00 0.00 C ATOM 740 CG GLU A 50 -12.454 -12.626 12.784 1.00 0.00 C ATOM 741 CD GLU A 50 -12.647 -13.851 13.659 1.00 0.00 C ATOM 742 OE1 GLU A 50 -12.454 -14.976 13.153 1.00 0.00 O ATOM 743 OE2 GLU A 50 -12.991 -13.683 14.847 1.00 0.00 O ATOM 0 H GLU A 50 -11.250 -10.297 11.353 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.857 -11.949 13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.572 -12.540 10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.899 -13.781 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.329 -11.748 13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.353 -12.464 12.189 1.00 0.00 H new ATOM 750 N LEU A 51 -8.755 -11.563 10.221 1.00 0.00 N ATOM 751 CA LEU A 51 -7.624 -11.811 9.335 1.00 0.00 C ATOM 752 C LEU A 51 -6.312 -11.410 10.002 1.00 0.00 C ATOM 753 O LEU A 51 -5.260 -11.987 9.723 1.00 0.00 O ATOM 754 CB LEU A 51 -7.799 -11.043 8.024 1.00 0.00 C ATOM 755 CG LEU A 51 -8.790 -11.664 7.037 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.836 -10.857 5.749 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.417 -13.110 6.750 1.00 0.00 C ATOM 0 H LEU A 51 -9.435 -10.895 9.859 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.590 -12.879 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.127 -10.030 8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.828 -10.960 7.537 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.783 -11.647 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.546 -11.313 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.149 -9.837 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.846 -10.842 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.132 -13.537 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.416 -13.149 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.435 -13.682 7.678 1.00 0.00 H new ATOM 769 N THR A 52 -6.380 -10.417 10.883 1.00 0.00 N ATOM 770 CA THR A 52 -5.197 -9.939 11.588 1.00 0.00 C ATOM 771 C THR A 52 -4.560 -11.059 12.406 1.00 0.00 C ATOM 772 O THR A 52 -3.337 -11.160 12.493 1.00 0.00 O ATOM 773 CB THR A 52 -5.560 -8.766 12.503 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.141 -7.711 11.757 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.374 -8.200 13.251 1.00 0.00 C ATOM 0 H THR A 52 -7.242 -9.928 11.125 1.00 0.00 H new ATOM 0 HA THR A 52 -4.475 -9.601 10.845 1.00 0.00 H new ATOM 0 HB THR A 52 -6.265 -9.173 13.228 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.000 -8.005 11.388 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.702 -7.373 13.880 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.932 -8.977 13.875 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.632 -7.842 12.538 1.00 0.00 H new ATOM 783 N ARG A 53 -5.399 -11.900 13.003 1.00 0.00 N ATOM 784 CA ARG A 53 -4.917 -13.015 13.813 1.00 0.00 C ATOM 785 C ARG A 53 -4.195 -14.040 12.948 1.00 0.00 C ATOM 786 O ARG A 53 -3.256 -14.697 13.400 1.00 0.00 O ATOM 787 CB ARG A 53 -6.081 -13.683 14.547 1.00 0.00 C ATOM 788 CG ARG A 53 -6.957 -12.707 15.315 1.00 0.00 C ATOM 789 CD ARG A 53 -6.181 -12.011 16.422 1.00 0.00 C ATOM 790 NE ARG A 53 -6.544 -10.601 16.540 1.00 0.00 N ATOM 791 CZ ARG A 53 -7.630 -10.167 17.178 1.00 0.00 C ATOM 792 NH1 ARG A 53 -8.461 -11.029 17.750 1.00 0.00 N ATOM 793 NH2 ARG A 53 -7.885 -8.868 17.241 1.00 0.00 N ATOM 0 H ARG A 53 -6.415 -11.831 12.942 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.213 -12.621 14.546 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.696 -14.219 13.824 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.685 -14.425 15.240 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.361 -11.962 14.629 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.806 -13.239 15.744 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.370 -12.515 17.370 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.112 -12.095 16.224 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.931 -9.909 16.109 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.270 -12.030 17.703 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.291 -10.691 18.237 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.250 -8.202 16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.716 -8.535 17.729 1.00 0.00 H new ATOM 807 N LEU A 54 -4.637 -14.173 11.703 1.00 0.00 N ATOM 808 CA LEU A 54 -4.032 -15.119 10.774 1.00 0.00 C ATOM 809 C LEU A 54 -2.833 -14.495 10.065 1.00 0.00 C ATOM 810 O LEU A 54 -1.858 -15.179 9.754 1.00 0.00 O ATOM 811 CB LEU A 54 -5.062 -15.587 9.744 1.00 0.00 C ATOM 812 CG LEU A 54 -4.753 -16.934 9.088 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.917 -18.065 10.091 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.649 -17.155 7.880 1.00 0.00 C ATOM 0 H LEU A 54 -5.413 -13.637 11.314 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.686 -15.979 11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.036 -15.651 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.144 -14.830 8.964 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.717 -16.924 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.693 -19.016 9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.233 -17.913 10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.943 -18.078 10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.416 -18.118 7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.693 -17.145 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.482 -16.360 7.153 1.00 0.00 H new ATOM 826 N LEU A 55 -2.915 -13.192 9.815 1.00 0.00 N ATOM 827 CA LEU A 55 -1.836 -12.475 9.144 1.00 0.00 C ATOM 828 C LEU A 55 -0.612 -12.370 10.045 1.00 0.00 C ATOM 829 O LEU A 55 0.513 -12.631 9.616 1.00 0.00 O ATOM 830 CB LEU A 55 -2.303 -11.077 8.733 1.00 0.00 C ATOM 831 CG LEU A 55 -3.252 -11.038 7.535 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.831 -9.642 7.358 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.531 -11.482 6.271 1.00 0.00 C ATOM 0 H LEU A 55 -3.716 -12.612 10.066 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.561 -13.036 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.798 -10.611 9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.427 -10.471 8.503 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.074 -11.729 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.504 -9.633 6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.382 -9.360 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.022 -8.931 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.221 -11.448 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.690 -10.816 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.165 -12.501 6.400 1.00 0.00 H new ATOM 845 N ALA A 56 -0.836 -11.986 11.297 1.00 0.00 N ATOM 846 CA ALA A 56 0.250 -11.846 12.261 1.00 0.00 C ATOM 847 C ALA A 56 0.947 -13.181 12.498 1.00 0.00 C ATOM 848 O ALA A 56 2.147 -13.226 12.769 1.00 0.00 O ATOM 849 CB ALA A 56 -0.278 -11.283 13.572 1.00 0.00 C ATOM 0 H ALA A 56 -1.760 -11.766 11.668 1.00 0.00 H new ATOM 0 HA ALA A 56 0.982 -11.151 11.849 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.543 -11.184 14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.724 -10.305 13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.031 -11.957 13.980 1.00 0.00 H new ATOM 855 N ARG A 57 0.188 -14.267 12.395 1.00 0.00 N ATOM 856 CA ARG A 57 0.733 -15.603 12.599 1.00 0.00 C ATOM 857 C ARG A 57 1.484 -16.080 11.359 1.00 0.00 C ATOM 858 O ARG A 57 2.512 -16.749 11.463 1.00 0.00 O ATOM 859 CB ARG A 57 -0.388 -16.588 12.941 1.00 0.00 C ATOM 860 CG ARG A 57 0.031 -17.666 13.927 1.00 0.00 C ATOM 861 CD ARG A 57 -1.134 -18.575 14.285 1.00 0.00 C ATOM 862 NE ARG A 57 -0.718 -19.967 14.431 1.00 0.00 N ATOM 863 CZ ARG A 57 -0.250 -20.711 13.430 1.00 0.00 C ATOM 864 NH1 ARG A 57 -0.137 -20.198 12.211 1.00 0.00 N ATOM 865 NH2 ARG A 57 0.106 -21.969 13.649 1.00 0.00 N ATOM 0 H ARG A 57 -0.807 -14.247 12.171 1.00 0.00 H new ATOM 0 HA ARG A 57 1.435 -15.558 13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.232 -16.036 13.355 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.737 -17.062 12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.839 -18.259 13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.423 -17.201 14.832 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.588 -18.233 15.215 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.899 -18.505 13.512 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.790 -20.395 15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.409 -19.230 12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.222 -20.771 11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.022 -22.367 14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.464 -22.538 12.882 1.00 0.00 H new ATOM 879 N MET A 58 0.963 -15.733 10.188 1.00 0.00 N ATOM 880 CA MET A 58 1.584 -16.125 8.928 1.00 0.00 C ATOM 881 C MET A 58 2.975 -15.517 8.794 1.00 0.00 C ATOM 882 O MET A 58 3.910 -16.174 8.338 1.00 0.00 O ATOM 883 CB MET A 58 0.711 -15.695 7.748 1.00 0.00 C ATOM 884 CG MET A 58 -0.410 -16.673 7.431 1.00 0.00 C ATOM 885 SD MET A 58 -0.684 -16.865 5.659 1.00 0.00 S ATOM 886 CE MET A 58 -1.151 -15.197 5.206 1.00 0.00 C ATOM 0 H MET A 58 0.112 -15.181 10.085 1.00 0.00 H new ATOM 0 HA MET A 58 1.680 -17.211 8.923 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.279 -14.718 7.964 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.340 -15.578 6.865 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.173 -17.644 7.865 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.331 -16.329 7.902 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.986 -15.230 4.506 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.448 -14.647 6.099 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.304 -14.697 4.737 1.00 0.00 H new ATOM 896 N TRP A 59 3.106 -14.255 9.195 1.00 0.00 N ATOM 897 CA TRP A 59 4.385 -13.557 9.119 1.00 0.00 C ATOM 898 C TRP A 59 5.460 -14.299 9.910 1.00 0.00 C ATOM 899 O TRP A 59 6.565 -14.520 9.416 1.00 0.00 O ATOM 900 CB TRP A 59 4.242 -12.129 9.650 1.00 0.00 C ATOM 901 CG TRP A 59 5.484 -11.309 9.489 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.253 -10.781 10.487 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.103 -10.920 8.258 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.311 -10.088 9.951 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.242 -10.159 8.584 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.806 -11.142 6.910 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.081 -9.619 7.613 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.640 -10.607 5.947 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.767 -9.853 6.302 1.00 0.00 C ATOM 0 H TRP A 59 2.342 -13.696 9.575 1.00 0.00 H new ATOM 0 HA TRP A 59 4.689 -13.522 8.073 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.420 -11.636 9.130 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.974 -12.167 10.706 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.058 -10.892 11.543 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.031 -9.600 10.484 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.940 -11.721 6.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.949 -9.036 7.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.420 -10.773 4.903 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.400 -9.449 5.526 1.00 0.00 H new ATOM 920 N ASN A 60 5.127 -14.678 11.138 1.00 0.00 N ATOM 921 CA ASN A 60 6.064 -15.395 11.997 1.00 0.00 C ATOM 922 C ASN A 60 6.399 -16.764 11.413 1.00 0.00 C ATOM 923 O ASN A 60 7.493 -17.287 11.623 1.00 0.00 O ATOM 924 CB ASN A 60 5.481 -15.556 13.401 1.00 0.00 C ATOM 925 CG ASN A 60 4.991 -14.242 13.978 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.512 -13.175 13.652 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.986 -14.313 14.843 1.00 0.00 N ATOM 0 H ASN A 60 4.216 -14.501 11.562 1.00 0.00 H new ATOM 0 HA ASN A 60 6.982 -14.811 12.058 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.655 -16.266 13.369 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.239 -15.979 14.060 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.616 -13.462 15.266 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.584 -15.219 15.085 1.00 0.00 H new ATOM 934 N ASP A 61 5.450 -17.340 10.683 1.00 0.00 N ATOM 935 CA ASP A 61 5.644 -18.649 10.070 1.00 0.00 C ATOM 936 C ASP A 61 6.542 -18.550 8.840 1.00 0.00 C ATOM 937 O ASP A 61 7.217 -19.513 8.475 1.00 0.00 O ATOM 938 CB ASP A 61 4.294 -19.259 9.687 1.00 0.00 C ATOM 939 CG ASP A 61 3.816 -20.284 10.695 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.039 -20.074 11.906 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.216 -21.296 10.275 1.00 0.00 O ATOM 0 H ASP A 61 4.538 -16.921 10.501 1.00 0.00 H new ATOM 0 HA ASP A 61 6.133 -19.295 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.552 -18.466 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.376 -19.728 8.707 1.00 0.00 H new ATOM 946 N LEU A 62 6.545 -17.383 8.203 1.00 0.00 N ATOM 947 CA LEU A 62 7.360 -17.162 7.012 1.00 0.00 C ATOM 948 C LEU A 62 8.830 -17.456 7.294 1.00 0.00 C ATOM 949 O LEU A 62 9.205 -17.782 8.420 1.00 0.00 O ATOM 950 CB LEU A 62 7.202 -15.723 6.519 1.00 0.00 C ATOM 951 CG LEU A 62 5.874 -15.419 5.822 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.782 -13.944 5.464 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.718 -16.284 4.578 1.00 0.00 C ATOM 0 H LEU A 62 5.992 -16.576 8.491 1.00 0.00 H new ATOM 0 HA LEU A 62 7.014 -17.845 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.311 -15.050 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.016 -15.500 5.829 1.00 0.00 H new ATOM 0 HG LEU A 62 5.062 -15.654 6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.831 -13.748 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.849 -13.344 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.600 -13.681 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.769 -16.056 4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.536 -16.079 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.737 -17.336 4.862 1.00 0.00 H new ATOM 965 N SER A 63 9.660 -17.340 6.261 1.00 0.00 N ATOM 966 CA SER A 63 11.089 -17.595 6.394 1.00 0.00 C ATOM 967 C SER A 63 11.897 -16.338 6.085 1.00 0.00 C ATOM 968 O SER A 63 11.343 -15.320 5.669 1.00 0.00 O ATOM 969 CB SER A 63 11.514 -18.730 5.462 1.00 0.00 C ATOM 970 OG SER A 63 10.536 -19.756 5.429 1.00 0.00 O ATOM 0 H SER A 63 9.366 -17.071 5.322 1.00 0.00 H new ATOM 0 HA SER A 63 11.286 -17.888 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.670 -18.340 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.466 -19.142 5.796 1.00 0.00 H new ATOM 0 HG SER A 63 10.830 -20.469 4.825 1.00 0.00 H new ATOM 976 N GLU A 64 13.207 -16.415 6.292 1.00 0.00 N ATOM 977 CA GLU A 64 14.089 -15.283 6.035 1.00 0.00 C ATOM 978 C GLU A 64 14.139 -14.958 4.546 1.00 0.00 C ATOM 979 O GLU A 64 14.322 -13.804 4.158 1.00 0.00 O ATOM 980 CB GLU A 64 15.499 -15.579 6.551 1.00 0.00 C ATOM 981 CG GLU A 64 16.298 -14.329 6.886 1.00 0.00 C ATOM 982 CD GLU A 64 17.756 -14.629 7.171 1.00 0.00 C ATOM 983 OE1 GLU A 64 18.542 -14.732 6.205 1.00 0.00 O ATOM 984 OE2 GLU A 64 18.115 -14.759 8.361 1.00 0.00 O ATOM 0 H GLU A 64 13.681 -17.249 6.637 1.00 0.00 H new ATOM 0 HA GLU A 64 13.690 -14.418 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.428 -16.204 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.039 -16.155 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.231 -13.626 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.855 -13.841 7.754 1.00 0.00 H new ATOM 991 N LYS A 65 13.975 -15.983 3.715 1.00 0.00 N ATOM 992 CA LYS A 65 14.002 -15.805 2.268 1.00 0.00 C ATOM 993 C LYS A 65 12.701 -15.179 1.772 1.00 0.00 C ATOM 994 O LYS A 65 12.717 -14.223 0.996 1.00 0.00 O ATOM 995 CB LYS A 65 14.234 -17.149 1.573 1.00 0.00 C ATOM 996 CG LYS A 65 15.670 -17.357 1.117 1.00 0.00 C ATOM 997 CD LYS A 65 16.623 -17.444 2.298 1.00 0.00 C ATOM 998 CE LYS A 65 18.066 -17.573 1.841 1.00 0.00 C ATOM 999 NZ LYS A 65 18.840 -18.507 2.703 1.00 0.00 N ATOM 0 H LYS A 65 13.822 -16.945 4.019 1.00 0.00 H new ATOM 0 HA LYS A 65 14.823 -15.131 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.957 -17.954 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.573 -17.221 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.736 -18.271 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.969 -16.535 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.515 -16.555 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.359 -18.301 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.090 -17.926 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.540 -16.591 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.819 -18.567 2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.839 -18.157 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.403 -19.450 2.672 1.00 0.00 H new ATOM 1013 N LYS A 66 11.577 -15.724 2.225 1.00 0.00 N ATOM 1014 CA LYS A 66 10.268 -15.220 1.826 1.00 0.00 C ATOM 1015 C LYS A 66 10.038 -13.811 2.362 1.00 0.00 C ATOM 1016 O LYS A 66 9.348 -13.005 1.739 1.00 0.00 O ATOM 1017 CB LYS A 66 9.164 -16.155 2.327 1.00 0.00 C ATOM 1018 CG LYS A 66 9.442 -17.624 2.055 1.00 0.00 C ATOM 1019 CD LYS A 66 8.159 -18.440 2.040 1.00 0.00 C ATOM 1020 CE LYS A 66 8.362 -19.809 2.672 1.00 0.00 C ATOM 1021 NZ LYS A 66 7.210 -20.716 2.411 1.00 0.00 N ATOM 0 H LYS A 66 11.546 -16.515 2.869 1.00 0.00 H new ATOM 0 HA LYS A 66 10.239 -15.183 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.036 -16.011 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.222 -15.878 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.952 -17.728 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.115 -18.016 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.378 -17.902 2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.815 -18.560 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.274 -20.258 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.499 -19.696 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.386 -21.638 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.343 -20.299 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.095 -20.844 1.385 1.00 0.00 H new ATOM 1035 N LYS A 67 10.620 -13.521 3.521 1.00 0.00 N ATOM 1036 CA LYS A 67 10.477 -12.207 4.140 1.00 0.00 C ATOM 1037 C LYS A 67 11.299 -11.160 3.393 1.00 0.00 C ATOM 1038 O LYS A 67 10.942 -9.983 3.364 1.00 0.00 O ATOM 1039 CB LYS A 67 10.910 -12.262 5.607 1.00 0.00 C ATOM 1040 CG LYS A 67 9.757 -12.485 6.572 1.00 0.00 C ATOM 1041 CD LYS A 67 10.077 -13.572 7.586 1.00 0.00 C ATOM 1042 CE LYS A 67 9.263 -13.405 8.859 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.069 -12.807 9.959 1.00 0.00 N ATOM 0 H LYS A 67 11.194 -14.177 4.050 1.00 0.00 H new ATOM 0 HA LYS A 67 9.426 -11.921 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.639 -13.063 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.413 -11.330 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.534 -11.554 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.862 -12.760 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.874 -14.550 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.140 -13.545 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.399 -12.772 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.881 -14.375 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.478 -12.710 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.880 -13.423 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.413 -11.870 9.667 1.00 0.00 H new ATOM 1057 N ALA A 68 12.402 -11.597 2.792 1.00 0.00 N ATOM 1058 CA ALA A 68 13.274 -10.698 2.046 1.00 0.00 C ATOM 1059 C ALA A 68 12.519 -10.006 0.915 1.00 0.00 C ATOM 1060 O ALA A 68 12.866 -8.896 0.511 1.00 0.00 O ATOM 1061 CB ALA A 68 14.468 -11.462 1.495 1.00 0.00 C ATOM 0 H ALA A 68 12.712 -12.569 2.808 1.00 0.00 H new ATOM 0 HA ALA A 68 13.630 -9.928 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.112 -10.780 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.030 -11.902 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.119 -12.253 0.831 1.00 0.00 H new ATOM 1067 N LYS A 69 11.486 -10.670 0.405 1.00 0.00 N ATOM 1068 CA LYS A 69 10.684 -10.118 -0.683 1.00 0.00 C ATOM 1069 C LYS A 69 9.988 -8.831 -0.253 1.00 0.00 C ATOM 1070 O LYS A 69 9.856 -7.893 -1.039 1.00 0.00 O ATOM 1071 CB LYS A 69 9.645 -11.141 -1.146 1.00 0.00 C ATOM 1072 CG LYS A 69 10.211 -12.209 -2.069 1.00 0.00 C ATOM 1073 CD LYS A 69 9.128 -12.822 -2.941 1.00 0.00 C ATOM 1074 CE LYS A 69 9.635 -13.101 -4.347 1.00 0.00 C ATOM 1075 NZ LYS A 69 10.039 -11.853 -5.050 1.00 0.00 N ATOM 0 H LYS A 69 11.185 -11.590 0.727 1.00 0.00 H new ATOM 0 HA LYS A 69 11.354 -9.886 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.207 -11.623 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.838 -10.619 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.985 -11.773 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.687 -12.990 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.777 -13.750 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.273 -12.148 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.485 -13.781 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.857 -13.605 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.874 -11.961 -6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.477 -11.055 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.049 -11.670 -4.880 1.00 0.00 H new ATOM 1089 N TYR A 70 9.541 -8.793 0.998 1.00 0.00 N ATOM 1090 CA TYR A 70 8.853 -7.620 1.528 1.00 0.00 C ATOM 1091 C TYR A 70 9.827 -6.693 2.249 1.00 0.00 C ATOM 1092 O TYR A 70 9.647 -5.476 2.262 1.00 0.00 O ATOM 1093 CB TYR A 70 7.736 -8.047 2.480 1.00 0.00 C ATOM 1094 CG TYR A 70 6.841 -9.129 1.919 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.790 -8.814 1.066 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.049 -10.464 2.239 1.00 0.00 C ATOM 1097 CE1 TYR A 70 4.970 -9.801 0.551 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.235 -11.456 1.727 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.197 -11.120 0.884 1.00 0.00 C ATOM 1100 OH TYR A 70 4.384 -12.104 0.372 1.00 0.00 O ATOM 0 H TYR A 70 9.642 -9.559 1.663 1.00 0.00 H new ATOM 0 HA TYR A 70 8.419 -7.075 0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.179 -8.401 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.128 -7.177 2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.611 -7.782 0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.861 -10.731 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.156 -9.540 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.411 -12.490 1.986 1.00 0.00 H new ATOM 0 HH TYR A 70 4.895 -12.935 0.279 1.00 0.00 H new ATOM 1110 N LYS A 71 10.859 -7.277 2.851 1.00 0.00 N ATOM 1111 CA LYS A 71 11.859 -6.502 3.576 1.00 0.00 C ATOM 1112 C LYS A 71 12.539 -5.489 2.657 1.00 0.00 C ATOM 1113 O LYS A 71 12.976 -4.430 3.104 1.00 0.00 O ATOM 1114 CB LYS A 71 12.904 -7.433 4.195 1.00 0.00 C ATOM 1115 CG LYS A 71 12.712 -7.654 5.688 1.00 0.00 C ATOM 1116 CD LYS A 71 12.909 -9.113 6.066 1.00 0.00 C ATOM 1117 CE LYS A 71 12.235 -9.440 7.389 1.00 0.00 C ATOM 1118 NZ LYS A 71 12.662 -10.765 7.918 1.00 0.00 N ATOM 0 H LYS A 71 11.024 -8.284 2.851 1.00 0.00 H new ATOM 0 HA LYS A 71 11.352 -5.956 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.868 -8.396 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.897 -7.018 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.418 -7.035 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.711 -7.334 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.503 -9.752 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.975 -9.332 6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.471 -8.665 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.153 -9.434 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.829 -11.291 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.133 -11.305 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.323 -10.626 8.709 1.00 0.00 H new ATOM 1132 N ALA A 72 12.625 -5.824 1.373 1.00 0.00 N ATOM 1133 CA ALA A 72 13.252 -4.943 0.395 1.00 0.00 C ATOM 1134 C ALA A 72 12.358 -3.749 0.076 1.00 0.00 C ATOM 1135 O ALA A 72 12.843 -2.663 -0.235 1.00 0.00 O ATOM 1136 CB ALA A 72 13.580 -5.714 -0.874 1.00 0.00 C ATOM 0 H ALA A 72 12.269 -6.698 0.987 1.00 0.00 H new ATOM 0 HA ALA A 72 14.178 -4.563 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.048 -5.044 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.265 -6.529 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.663 -6.122 -1.299 1.00 0.00 H new ATOM 1142 N ARG A 73 11.048 -3.960 0.154 1.00 0.00 N ATOM 1143 CA ARG A 73 10.085 -2.901 -0.128 1.00 0.00 C ATOM 1144 C ARG A 73 10.029 -1.893 1.015 1.00 0.00 C ATOM 1145 O ARG A 73 9.725 -0.718 0.805 1.00 0.00 O ATOM 1146 CB ARG A 73 8.696 -3.497 -0.365 1.00 0.00 C ATOM 1147 CG ARG A 73 8.566 -4.231 -1.691 1.00 0.00 C ATOM 1148 CD ARG A 73 7.529 -5.341 -1.616 1.00 0.00 C ATOM 1149 NE ARG A 73 6.708 -5.404 -2.823 1.00 0.00 N ATOM 1150 CZ ARG A 73 5.765 -4.516 -3.126 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.516 -3.498 -2.311 1.00 0.00 N ATOM 1152 NH2 ARG A 73 5.066 -4.646 -4.246 1.00 0.00 N ATOM 0 H ARG A 73 10.629 -4.854 0.410 1.00 0.00 H new ATOM 0 HA ARG A 73 10.410 -2.381 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.462 -4.186 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.956 -2.698 -0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.288 -3.525 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.532 -4.652 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.031 -6.297 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.888 -5.181 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 73 6.867 -6.175 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.049 -3.394 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.792 -2.820 -2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.252 -5.427 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.343 -3.965 -4.478 1.00 0.00 H new ATOM 1166 N GLU A 74 10.322 -2.358 2.226 1.00 0.00 N ATOM 1167 CA GLU A 74 10.303 -1.496 3.403 1.00 0.00 C ATOM 1168 C GLU A 74 11.258 -0.318 3.234 1.00 0.00 C ATOM 1169 O GLU A 74 10.903 0.827 3.513 1.00 0.00 O ATOM 1170 CB GLU A 74 10.679 -2.296 4.652 1.00 0.00 C ATOM 1171 CG GLU A 74 10.665 -1.473 5.929 1.00 0.00 C ATOM 1172 CD GLU A 74 11.958 -0.711 6.146 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.994 -1.359 6.400 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.932 0.535 6.060 1.00 0.00 O ATOM 0 H GLU A 74 10.575 -3.327 2.418 1.00 0.00 H new ATOM 0 HA GLU A 74 9.292 -1.106 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.987 -3.131 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.673 -2.722 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.834 -0.769 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.489 -2.132 6.779 1.00 0.00 H new ATOM 1181 N ALA A 75 12.472 -0.607 2.775 1.00 0.00 N ATOM 1182 CA ALA A 75 13.478 0.428 2.570 1.00 0.00 C ATOM 1183 C ALA A 75 12.988 1.486 1.587 1.00 0.00 C ATOM 1184 O ALA A 75 13.337 2.662 1.700 1.00 0.00 O ATOM 1185 CB ALA A 75 14.777 -0.192 2.075 1.00 0.00 C ATOM 0 H ALA A 75 12.782 -1.549 2.538 1.00 0.00 H new ATOM 0 HA ALA A 75 13.660 0.917 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.520 0.591 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.144 -0.905 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.598 -0.707 1.131 1.00 0.00 H new ATOM 1191 N ALA A 76 12.180 1.062 0.622 1.00 0.00 N ATOM 1192 CA ALA A 76 11.644 1.971 -0.383 1.00 0.00 C ATOM 1193 C ALA A 76 10.382 2.665 0.117 1.00 0.00 C ATOM 1194 O ALA A 76 10.091 3.798 -0.266 1.00 0.00 O ATOM 1195 CB ALA A 76 11.359 1.219 -1.674 1.00 0.00 C ATOM 0 H ALA A 76 11.882 0.093 0.515 1.00 0.00 H new ATOM 0 HA ALA A 76 12.393 2.738 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.959 1.909 -2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.282 0.777 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.631 0.430 -1.483 1.00 0.00 H new ATOM 1201 N LEU A 77 9.632 1.976 0.972 1.00 0.00 N ATOM 1202 CA LEU A 77 8.398 2.526 1.521 1.00 0.00 C ATOM 1203 C LEU A 77 8.687 3.483 2.675 1.00 0.00 C ATOM 1204 O LEU A 77 7.906 4.394 2.948 1.00 0.00 O ATOM 1205 CB LEU A 77 7.482 1.398 2.000 1.00 0.00 C ATOM 1206 CG LEU A 77 6.680 0.703 0.897 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.309 -0.711 1.318 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.433 1.505 0.561 1.00 0.00 C ATOM 0 H LEU A 77 9.857 1.037 1.299 1.00 0.00 H new ATOM 0 HA LEU A 77 7.898 3.084 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.088 0.651 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.786 1.803 2.734 1.00 0.00 H new ATOM 0 HG LEU A 77 7.302 0.643 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.739 -1.190 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.217 -1.283 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.705 -0.674 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.874 0.997 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.808 1.596 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.721 2.498 0.217 1.00 0.00 H new ATOM 1220 N LYS A 78 9.812 3.272 3.352 1.00 0.00 N ATOM 1221 CA LYS A 78 10.196 4.118 4.476 1.00 0.00 C ATOM 1222 C LYS A 78 10.583 5.516 4.003 1.00 0.00 C ATOM 1223 O LYS A 78 10.439 6.491 4.739 1.00 0.00 O ATOM 1224 CB LYS A 78 11.358 3.485 5.245 1.00 0.00 C ATOM 1225 CG LYS A 78 11.203 3.569 6.755 1.00 0.00 C ATOM 1226 CD LYS A 78 12.490 3.188 7.469 1.00 0.00 C ATOM 1227 CE LYS A 78 12.227 2.783 8.910 1.00 0.00 C ATOM 1228 NZ LYS A 78 13.482 2.408 9.619 1.00 0.00 N ATOM 0 H LYS A 78 10.472 2.524 3.142 1.00 0.00 H new ATOM 0 HA LYS A 78 9.336 4.207 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.448 2.438 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.286 3.977 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.916 4.582 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.398 2.908 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.971 2.365 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.183 4.029 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.745 3.607 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.533 1.942 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.260 2.138 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.929 1.606 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.134 3.218 9.622 1.00 0.00 H new