USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 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 Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 175:sc= -1.5 (180deg=-1.65) USER MOD Single : A 32 SER OG : rot 180:sc= -0.862 USER MOD Single : A 35 LYS NZ :NH3+ -108:sc= -0.0574 (180deg=-1.21!) USER MOD Single : A 38 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.9!) 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 180:sc= 0.05 USER MOD Single : A 58 MET CE :methyl -126:sc= -3.44! (180deg=-4.19!) USER MOD Single : A 60 ASN : amide:sc= -0.0587 K(o=-0.059,f=-1.4) 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0.0884 (180deg=0.0611) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.376 1.733 6.675 1.00 0.00 N ATOM 320 CA VAL A 25 4.955 0.481 6.056 1.00 0.00 C ATOM 321 C VAL A 25 6.055 -0.571 6.141 1.00 0.00 C ATOM 322 O VAL A 25 6.730 -0.861 5.153 1.00 0.00 O ATOM 323 CB VAL A 25 4.567 0.688 4.580 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.934 -0.573 4.011 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.629 1.877 4.435 1.00 0.00 C ATOM 0 HA VAL A 25 4.081 0.132 6.607 1.00 0.00 H new ATOM 0 HB VAL A 25 5.473 0.899 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.667 -0.407 2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.643 -1.398 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.038 -0.819 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.366 2.007 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.724 1.700 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.124 2.777 4.799 1.00 0.00 H new ATOM 335 N SER A 26 6.230 -1.141 7.329 1.00 0.00 N ATOM 336 CA SER A 26 7.249 -2.162 7.544 1.00 0.00 C ATOM 337 C SER A 26 6.903 -3.442 6.790 1.00 0.00 C ATOM 338 O SER A 26 5.831 -3.554 6.195 1.00 0.00 O ATOM 339 CB SER A 26 7.396 -2.459 9.037 1.00 0.00 C ATOM 340 OG SER A 26 6.185 -2.952 9.582 1.00 0.00 O ATOM 0 H SER A 26 5.680 -0.913 8.157 1.00 0.00 H new ATOM 0 HA SER A 26 8.196 -1.781 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.190 -3.190 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.692 -1.552 9.564 1.00 0.00 H new ATOM 0 HG SER A 26 6.307 -3.135 10.537 1.00 0.00 H new ATOM 346 N ALA A 27 7.818 -4.406 6.821 1.00 0.00 N ATOM 347 CA ALA A 27 7.610 -5.678 6.140 1.00 0.00 C ATOM 348 C ALA A 27 6.363 -6.384 6.663 1.00 0.00 C ATOM 349 O ALA A 27 5.702 -7.119 5.931 1.00 0.00 O ATOM 350 CB ALA A 27 8.832 -6.570 6.307 1.00 0.00 C ATOM 0 H ALA A 27 8.710 -4.330 7.310 1.00 0.00 H new ATOM 0 HA ALA A 27 7.462 -5.475 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.664 -7.517 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.704 -6.076 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.004 -6.757 7.367 1.00 0.00 H new ATOM 356 N MET A 28 6.049 -6.153 7.933 1.00 0.00 N ATOM 357 CA MET A 28 4.881 -6.767 8.555 1.00 0.00 C ATOM 358 C MET A 28 3.592 -6.164 8.006 1.00 0.00 C ATOM 359 O MET A 28 2.564 -6.837 7.928 1.00 0.00 O ATOM 360 CB MET A 28 4.934 -6.588 10.074 1.00 0.00 C ATOM 361 CG MET A 28 3.810 -7.302 10.809 1.00 0.00 C ATOM 362 SD MET A 28 4.374 -8.778 11.680 1.00 0.00 S ATOM 363 CE MET A 28 2.819 -9.431 12.282 1.00 0.00 C ATOM 0 H MET A 28 6.586 -5.546 8.552 1.00 0.00 H new ATOM 0 HA MET A 28 4.892 -7.831 8.320 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.891 -6.958 10.442 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.892 -5.524 10.308 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.355 -6.616 11.523 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.034 -7.580 10.096 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.991 -10.392 12.766 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.386 -8.735 13.001 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.132 -9.564 11.446 1.00 0.00 H new ATOM 373 N PHE A 29 3.653 -4.891 7.628 1.00 0.00 N ATOM 374 CA PHE A 29 2.489 -4.197 7.086 1.00 0.00 C ATOM 375 C PHE A 29 2.212 -4.636 5.652 1.00 0.00 C ATOM 376 O PHE A 29 1.064 -4.874 5.276 1.00 0.00 O ATOM 377 CB PHE A 29 2.703 -2.684 7.137 1.00 0.00 C ATOM 378 CG PHE A 29 1.465 -1.892 6.823 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.122 -1.610 5.510 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.644 -1.431 7.840 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.016 -0.882 5.218 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.494 -0.702 7.553 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.825 -0.428 6.240 1.00 0.00 C ATOM 0 H PHE A 29 4.495 -4.319 7.687 1.00 0.00 H new ATOM 0 HA PHE A 29 1.625 -4.456 7.698 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.059 -2.409 8.130 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.487 -2.412 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.751 -1.963 4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.897 -1.644 8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.272 -0.669 4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.124 -0.347 8.355 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.715 0.140 6.014 1.00 0.00 H new ATOM 393 N ILE A 30 3.270 -4.739 4.854 1.00 0.00 N ATOM 394 CA ILE A 30 3.139 -5.148 3.461 1.00 0.00 C ATOM 395 C ILE A 30 2.527 -6.540 3.354 1.00 0.00 C ATOM 396 O ILE A 30 1.672 -6.791 2.504 1.00 0.00 O ATOM 397 CB ILE A 30 4.502 -5.140 2.740 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.205 -3.795 2.943 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.321 -5.429 1.257 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.690 -3.925 3.205 1.00 0.00 C ATOM 0 H ILE A 30 4.227 -4.545 5.148 1.00 0.00 H new ATOM 0 HA ILE A 30 2.480 -4.425 2.980 1.00 0.00 H new ATOM 0 HB ILE A 30 5.126 -5.924 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.053 -3.177 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.740 -3.274 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.293 -5.420 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.859 -6.408 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.681 -4.666 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.124 -2.934 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.850 -4.516 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.167 -4.418 2.358 1.00 0.00 H new ATOM 412 N PHE A 31 2.969 -7.444 4.223 1.00 0.00 N ATOM 413 CA PHE A 31 2.465 -8.812 4.226 1.00 0.00 C ATOM 414 C PHE A 31 1.053 -8.869 4.799 1.00 0.00 C ATOM 415 O PHE A 31 0.220 -9.654 4.347 1.00 0.00 O ATOM 416 CB PHE A 31 3.395 -9.717 5.038 1.00 0.00 C ATOM 417 CG PHE A 31 2.941 -11.148 5.096 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.176 -12.007 4.034 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.281 -11.634 6.212 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.759 -13.325 4.085 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.862 -12.951 6.269 1.00 0.00 C ATOM 422 CZ PHE A 31 2.102 -13.796 5.205 1.00 0.00 C ATOM 0 H PHE A 31 3.675 -7.253 4.934 1.00 0.00 H new ATOM 0 HA PHE A 31 2.434 -9.165 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.395 -9.679 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.472 -9.328 6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.690 -11.643 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.091 -10.977 7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.947 -13.985 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.348 -13.317 7.145 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.776 -14.825 5.248 1.00 0.00 H new ATOM 432 N SER A 32 0.790 -8.033 5.799 1.00 0.00 N ATOM 433 CA SER A 32 -0.521 -7.989 6.435 1.00 0.00 C ATOM 434 C SER A 32 -1.543 -7.283 5.547 1.00 0.00 C ATOM 435 O SER A 32 -2.747 -7.503 5.676 1.00 0.00 O ATOM 436 CB SER A 32 -0.431 -7.280 7.788 1.00 0.00 C ATOM 437 OG SER A 32 -1.709 -7.157 8.387 1.00 0.00 O ATOM 0 H SER A 32 1.468 -7.377 6.186 1.00 0.00 H new ATOM 0 HA SER A 32 -0.852 -9.016 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.232 -7.837 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.008 -6.291 7.655 1.00 0.00 H new ATOM 0 HG SER A 32 -1.623 -6.702 9.251 1.00 0.00 H new ATOM 443 N GLU A 33 -1.057 -6.431 4.648 1.00 0.00 N ATOM 444 CA GLU A 33 -1.934 -5.694 3.744 1.00 0.00 C ATOM 445 C GLU A 33 -2.038 -6.389 2.391 1.00 0.00 C ATOM 446 O GLU A 33 -3.077 -6.333 1.731 1.00 0.00 O ATOM 447 CB GLU A 33 -1.419 -4.265 3.558 1.00 0.00 C ATOM 448 CG GLU A 33 -2.513 -3.265 3.216 1.00 0.00 C ATOM 449 CD GLU A 33 -1.974 -2.026 2.528 1.00 0.00 C ATOM 450 OE1 GLU A 33 -1.255 -2.172 1.518 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.273 -0.909 2.999 1.00 0.00 O ATOM 0 H GLU A 33 -0.063 -6.235 4.527 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.928 -5.663 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.919 -3.946 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.670 -4.257 2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.249 -3.744 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.032 -2.973 4.129 1.00 0.00 H new ATOM 458 N GLU A 34 -0.956 -7.042 1.979 1.00 0.00 N ATOM 459 CA GLU A 34 -0.929 -7.744 0.701 1.00 0.00 C ATOM 460 C GLU A 34 -1.629 -9.096 0.804 1.00 0.00 C ATOM 461 O GLU A 34 -2.242 -9.563 -0.157 1.00 0.00 O ATOM 462 CB GLU A 34 0.515 -7.941 0.234 1.00 0.00 C ATOM 463 CG GLU A 34 0.632 -8.360 -1.223 1.00 0.00 C ATOM 464 CD GLU A 34 1.803 -7.704 -1.926 1.00 0.00 C ATOM 465 OE1 GLU A 34 1.699 -6.506 -2.262 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.825 -8.389 -2.141 1.00 0.00 O ATOM 0 H GLU A 34 -0.088 -7.100 2.511 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.462 -7.134 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.066 -7.012 0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.991 -8.696 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.740 -9.443 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.290 -8.105 -1.746 1.00 0.00 H new ATOM 473 N LYS A 35 -1.533 -9.720 1.972 1.00 0.00 N ATOM 474 CA LYS A 35 -2.156 -11.020 2.198 1.00 0.00 C ATOM 475 C LYS A 35 -3.632 -10.868 2.557 1.00 0.00 C ATOM 476 O LYS A 35 -4.427 -11.785 2.355 1.00 0.00 O ATOM 477 CB LYS A 35 -1.424 -11.775 3.309 1.00 0.00 C ATOM 478 CG LYS A 35 0.014 -12.123 2.963 1.00 0.00 C ATOM 479 CD LYS A 35 0.133 -13.545 2.436 1.00 0.00 C ATOM 480 CE LYS A 35 1.003 -13.609 1.190 1.00 0.00 C ATOM 481 NZ LYS A 35 1.864 -14.824 1.173 1.00 0.00 N ATOM 0 H LYS A 35 -1.030 -9.348 2.777 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.086 -11.591 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.434 -11.170 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.968 -12.693 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.388 -11.424 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.640 -12.008 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.556 -14.186 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.860 -13.933 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.368 -13.602 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.631 -12.719 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.852 -14.552 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.550 -15.482 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.792 -15.288 0.245 1.00 0.00 H new ATOM 495 N ARG A 36 -3.994 -9.704 3.092 1.00 0.00 N ATOM 496 CA ARG A 36 -5.376 -9.437 3.479 1.00 0.00 C ATOM 497 C ARG A 36 -6.324 -9.644 2.302 1.00 0.00 C ATOM 498 O ARG A 36 -7.265 -10.433 2.382 1.00 0.00 O ATOM 499 CB ARG A 36 -5.511 -8.009 4.010 1.00 0.00 C ATOM 500 CG ARG A 36 -6.524 -7.872 5.135 1.00 0.00 C ATOM 501 CD ARG A 36 -6.540 -6.461 5.703 1.00 0.00 C ATOM 502 NE ARG A 36 -5.327 -6.161 6.457 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.135 -5.029 7.133 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.073 -4.091 7.148 1.00 0.00 N ATOM 505 NH2 ARG A 36 -4.002 -4.835 7.793 1.00 0.00 N ATOM 0 H ARG A 36 -3.350 -8.932 3.267 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.647 -10.140 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.538 -7.669 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.800 -7.351 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.517 -8.127 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.287 -8.582 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.648 -5.744 4.889 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.408 -6.341 6.351 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.583 -6.859 6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.946 -4.235 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.921 -3.226 7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.277 -5.552 7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.855 -3.968 8.310 1.00 0.00 H new ATOM 519 N ARG A 37 -6.069 -8.931 1.209 1.00 0.00 N ATOM 520 CA ARG A 37 -6.900 -9.037 0.016 1.00 0.00 C ATOM 521 C ARG A 37 -6.905 -10.465 -0.521 1.00 0.00 C ATOM 522 O ARG A 37 -7.873 -10.900 -1.145 1.00 0.00 O ATOM 523 CB ARG A 37 -6.402 -8.075 -1.064 1.00 0.00 C ATOM 524 CG ARG A 37 -7.521 -7.433 -1.870 1.00 0.00 C ATOM 525 CD ARG A 37 -6.999 -6.314 -2.755 1.00 0.00 C ATOM 526 NE ARG A 37 -6.105 -5.412 -2.031 1.00 0.00 N ATOM 527 CZ ARG A 37 -6.517 -4.543 -1.111 1.00 0.00 C ATOM 528 NH1 ARG A 37 -7.805 -4.453 -0.801 1.00 0.00 N ATOM 529 NH2 ARG A 37 -5.639 -3.759 -0.500 1.00 0.00 N ATOM 0 H ARG A 37 -5.293 -8.274 1.126 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.920 -8.769 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.808 -7.291 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.740 -8.614 -1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.007 -8.189 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.279 -7.039 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.470 -6.742 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.839 -5.747 -3.155 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.108 -5.451 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.485 -5.052 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.114 -3.785 -0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.649 -3.822 -0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.954 -3.093 0.205 1.00 0.00 H new ATOM 543 N GLN A 38 -5.819 -11.191 -0.274 1.00 0.00 N ATOM 544 CA GLN A 38 -5.702 -12.570 -0.733 1.00 0.00 C ATOM 545 C GLN A 38 -6.522 -13.506 0.150 1.00 0.00 C ATOM 546 O GLN A 38 -7.044 -14.517 -0.317 1.00 0.00 O ATOM 547 CB GLN A 38 -4.235 -13.007 -0.735 1.00 0.00 C ATOM 548 CG GLN A 38 -3.481 -12.601 -1.991 1.00 0.00 C ATOM 549 CD GLN A 38 -3.122 -13.786 -2.865 1.00 0.00 C ATOM 550 OE1 GLN A 38 -1.956 -13.991 -3.205 1.00 0.00 O ATOM 551 NE2 GLN A 38 -4.125 -14.574 -3.236 1.00 0.00 N ATOM 0 H GLN A 38 -5.008 -10.847 0.241 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.090 -12.623 -1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.735 -12.578 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.187 -14.091 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.089 -11.902 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.570 -12.073 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.076 -14.367 -2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.944 -15.386 -3.826 1.00 0.00 H new ATOM 560 N LEU A 39 -6.629 -13.158 1.428 1.00 0.00 N ATOM 561 CA LEU A 39 -7.384 -13.964 2.378 1.00 0.00 C ATOM 562 C LEU A 39 -8.864 -13.594 2.350 1.00 0.00 C ATOM 563 O LEU A 39 -9.729 -14.434 2.601 1.00 0.00 O ATOM 564 CB LEU A 39 -6.827 -13.777 3.791 1.00 0.00 C ATOM 565 CG LEU A 39 -5.407 -14.304 4.002 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.862 -13.845 5.345 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.382 -15.822 3.904 1.00 0.00 C ATOM 0 H LEU A 39 -6.202 -12.323 1.829 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.284 -15.010 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.844 -12.715 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.492 -14.276 4.496 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.769 -13.899 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.851 -14.229 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.843 -12.756 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.501 -14.220 6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.364 -16.180 4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.034 -16.247 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.730 -16.129 2.918 1.00 0.00 H new ATOM 579 N GLN A 40 -9.149 -12.333 2.042 1.00 0.00 N ATOM 580 CA GLN A 40 -10.524 -11.852 1.980 1.00 0.00 C ATOM 581 C GLN A 40 -11.263 -12.468 0.795 1.00 0.00 C ATOM 582 O GLN A 40 -12.400 -12.921 0.927 1.00 0.00 O ATOM 583 CB GLN A 40 -10.547 -10.325 1.879 1.00 0.00 C ATOM 584 CG GLN A 40 -11.116 -9.642 3.112 1.00 0.00 C ATOM 585 CD GLN A 40 -10.324 -8.415 3.517 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.535 -7.885 2.735 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.530 -7.956 4.746 1.00 0.00 N ATOM 0 H GLN A 40 -8.445 -11.625 1.831 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.032 -12.154 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.532 -9.965 1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.136 -10.036 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.150 -9.355 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.131 -10.350 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.194 -8.426 5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.025 -7.133 5.074 1.00 0.00 H new ATOM 596 N GLU A 41 -10.609 -12.479 -0.362 1.00 0.00 N ATOM 597 CA GLU A 41 -11.204 -13.037 -1.570 1.00 0.00 C ATOM 598 C GLU A 41 -11.298 -14.557 -1.479 1.00 0.00 C ATOM 599 O GLU A 41 -12.334 -15.144 -1.791 1.00 0.00 O ATOM 600 CB GLU A 41 -10.383 -12.639 -2.798 1.00 0.00 C ATOM 601 CG GLU A 41 -10.354 -11.140 -3.050 1.00 0.00 C ATOM 602 CD GLU A 41 -9.675 -10.782 -4.357 1.00 0.00 C ATOM 603 OE1 GLU A 41 -10.107 -11.293 -5.411 1.00 0.00 O ATOM 604 OE2 GLU A 41 -8.709 -9.990 -4.327 1.00 0.00 O ATOM 0 H GLU A 41 -9.667 -12.108 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.212 -12.634 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.361 -12.998 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.792 -13.139 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.374 -10.757 -3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.835 -10.647 -2.228 1.00 0.00 H new ATOM 611 N GLU A 42 -10.209 -15.188 -1.052 1.00 0.00 N ATOM 612 CA GLU A 42 -10.171 -16.640 -0.921 1.00 0.00 C ATOM 613 C GLU A 42 -10.997 -17.100 0.275 1.00 0.00 C ATOM 614 O GLU A 42 -11.605 -18.171 0.248 1.00 0.00 O ATOM 615 CB GLU A 42 -8.725 -17.121 -0.772 1.00 0.00 C ATOM 616 CG GLU A 42 -7.819 -16.684 -1.912 1.00 0.00 C ATOM 617 CD GLU A 42 -7.770 -17.699 -3.037 1.00 0.00 C ATOM 618 OE1 GLU A 42 -7.903 -18.908 -2.753 1.00 0.00 O ATOM 619 OE2 GLU A 42 -7.596 -17.285 -4.203 1.00 0.00 O ATOM 0 H GLU A 42 -9.342 -14.718 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.600 -17.073 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.320 -16.745 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.717 -18.209 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.169 -15.729 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.811 -16.522 -1.529 1.00 0.00 H new ATOM 626 N ARG A 43 -11.016 -16.285 1.324 1.00 0.00 N ATOM 627 CA ARG A 43 -11.768 -16.609 2.531 1.00 0.00 C ATOM 628 C ARG A 43 -12.611 -15.418 2.982 1.00 0.00 C ATOM 629 O ARG A 43 -12.197 -14.646 3.849 1.00 0.00 O ATOM 630 CB ARG A 43 -10.819 -17.030 3.653 1.00 0.00 C ATOM 631 CG ARG A 43 -9.917 -18.197 3.281 1.00 0.00 C ATOM 632 CD ARG A 43 -10.317 -19.467 4.013 1.00 0.00 C ATOM 633 NE ARG A 43 -9.551 -19.655 5.243 1.00 0.00 N ATOM 634 CZ ARG A 43 -9.550 -20.780 5.952 1.00 0.00 C ATOM 635 NH1 ARG A 43 -10.273 -21.823 5.558 1.00 0.00 N ATOM 636 NH2 ARG A 43 -8.826 -20.866 7.059 1.00 0.00 N ATOM 0 H ARG A 43 -10.519 -15.395 1.363 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.436 -17.439 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.200 -16.178 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.405 -17.300 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.964 -18.366 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.883 -17.949 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.380 -19.429 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.167 -20.325 3.358 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.983 -18.877 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.833 -21.763 4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.268 -22.683 6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.269 -20.069 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.826 -21.729 7.602 1.00 0.00 H new ATOM 650 N PRO A 44 -13.812 -15.254 2.400 1.00 0.00 N ATOM 651 CA PRO A 44 -14.714 -14.151 2.748 1.00 0.00 C ATOM 652 C PRO A 44 -15.230 -14.249 4.181 1.00 0.00 C ATOM 653 O PRO A 44 -15.752 -13.279 4.730 1.00 0.00 O ATOM 654 CB PRO A 44 -15.868 -14.300 1.753 1.00 0.00 C ATOM 655 CG PRO A 44 -15.831 -15.729 1.335 1.00 0.00 C ATOM 656 CD PRO A 44 -14.383 -16.128 1.361 1.00 0.00 C ATOM 0 HA PRO A 44 -14.210 -13.186 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.823 -14.048 2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.742 -13.635 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.419 -16.349 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.253 -15.855 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.260 -17.182 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.904 -15.970 0.394 1.00 0.00 H new ATOM 664 N GLU A 45 -15.081 -15.426 4.784 1.00 0.00 N ATOM 665 CA GLU A 45 -15.534 -15.643 6.153 1.00 0.00 C ATOM 666 C GLU A 45 -14.648 -14.892 7.143 1.00 0.00 C ATOM 667 O GLU A 45 -15.111 -14.455 8.196 1.00 0.00 O ATOM 668 CB GLU A 45 -15.532 -17.138 6.482 1.00 0.00 C ATOM 669 CG GLU A 45 -16.622 -17.546 7.460 1.00 0.00 C ATOM 670 CD GLU A 45 -17.334 -18.819 7.042 1.00 0.00 C ATOM 671 OE1 GLU A 45 -16.693 -19.891 7.062 1.00 0.00 O ATOM 672 OE2 GLU A 45 -18.531 -18.743 6.695 1.00 0.00 O ATOM 0 H GLU A 45 -14.651 -16.241 4.347 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.551 -15.260 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.652 -17.705 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.562 -17.409 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.184 -17.687 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.349 -16.739 7.545 1.00 0.00 H new ATOM 679 N LEU A 46 -13.374 -14.748 6.795 1.00 0.00 N ATOM 680 CA LEU A 46 -12.422 -14.050 7.651 1.00 0.00 C ATOM 681 C LEU A 46 -12.527 -12.540 7.462 1.00 0.00 C ATOM 682 O LEU A 46 -12.216 -12.016 6.392 1.00 0.00 O ATOM 683 CB LEU A 46 -10.997 -14.517 7.350 1.00 0.00 C ATOM 684 CG LEU A 46 -10.588 -15.827 8.023 1.00 0.00 C ATOM 685 CD1 LEU A 46 -9.296 -16.355 7.421 1.00 0.00 C ATOM 686 CD2 LEU A 46 -10.439 -15.630 9.524 1.00 0.00 C ATOM 0 H LEU A 46 -12.977 -15.105 5.926 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.662 -14.285 8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.889 -14.632 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.302 -13.736 7.659 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.372 -16.564 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.020 -17.288 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.438 -16.534 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.502 -15.622 7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.147 -16.572 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.674 -14.878 9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.389 -15.298 9.943 1.00 0.00 H new ATOM 698 N SER A 47 -12.965 -11.846 8.507 1.00 0.00 N ATOM 699 CA SER A 47 -13.110 -10.396 8.455 1.00 0.00 C ATOM 700 C SER A 47 -11.760 -9.708 8.636 1.00 0.00 C ATOM 701 O SER A 47 -10.742 -10.364 8.854 1.00 0.00 O ATOM 702 CB SER A 47 -14.087 -9.920 9.531 1.00 0.00 C ATOM 703 OG SER A 47 -14.881 -8.845 9.061 1.00 0.00 O ATOM 0 H SER A 47 -13.226 -12.264 9.400 1.00 0.00 H new ATOM 0 HA SER A 47 -13.505 -10.130 7.474 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.731 -10.746 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.533 -9.607 10.416 1.00 0.00 H new ATOM 0 HG SER A 47 -15.498 -8.561 9.767 1.00 0.00 H new ATOM 709 N GLU A 48 -11.760 -8.382 8.544 1.00 0.00 N ATOM 710 CA GLU A 48 -10.535 -7.605 8.697 1.00 0.00 C ATOM 711 C GLU A 48 -9.900 -7.852 10.062 1.00 0.00 C ATOM 712 O GLU A 48 -8.728 -8.219 10.155 1.00 0.00 O ATOM 713 CB GLU A 48 -10.826 -6.114 8.518 1.00 0.00 C ATOM 714 CG GLU A 48 -10.932 -5.685 7.065 1.00 0.00 C ATOM 715 CD GLU A 48 -9.612 -5.188 6.507 1.00 0.00 C ATOM 716 OE1 GLU A 48 -8.740 -4.792 7.309 1.00 0.00 O ATOM 717 OE2 GLU A 48 -9.452 -5.195 5.268 1.00 0.00 O ATOM 0 H GLU A 48 -12.594 -7.823 8.364 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.833 -7.925 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.758 -5.870 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.037 -5.538 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.282 -6.526 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.680 -4.897 6.976 1.00 0.00 H new ATOM 724 N SER A 49 -10.680 -7.647 11.117 1.00 0.00 N ATOM 725 CA SER A 49 -10.194 -7.848 12.477 1.00 0.00 C ATOM 726 C SER A 49 -9.738 -9.288 12.685 1.00 0.00 C ATOM 727 O SER A 49 -8.824 -9.554 13.467 1.00 0.00 O ATOM 728 CB SER A 49 -11.286 -7.495 13.489 1.00 0.00 C ATOM 729 OG SER A 49 -11.168 -6.150 13.920 1.00 0.00 O ATOM 0 H SER A 49 -11.651 -7.342 11.057 1.00 0.00 H new ATOM 0 HA SER A 49 -9.339 -7.190 12.631 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.267 -7.651 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.219 -8.162 14.348 1.00 0.00 H new ATOM 0 HG SER A 49 -11.878 -5.950 14.565 1.00 0.00 H new ATOM 735 N GLU A 50 -10.379 -10.214 11.980 1.00 0.00 N ATOM 736 CA GLU A 50 -10.039 -11.628 12.088 1.00 0.00 C ATOM 737 C GLU A 50 -8.770 -11.942 11.303 1.00 0.00 C ATOM 738 O GLU A 50 -7.994 -12.819 11.683 1.00 0.00 O ATOM 739 CB GLU A 50 -11.194 -12.492 11.580 1.00 0.00 C ATOM 740 CG GLU A 50 -12.452 -12.387 12.427 1.00 0.00 C ATOM 741 CD GLU A 50 -12.813 -13.695 13.102 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.893 -14.489 13.391 1.00 0.00 O ATOM 743 OE2 GLU A 50 -14.017 -13.927 13.344 1.00 0.00 O ATOM 0 H GLU A 50 -11.137 -10.011 11.328 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.861 -11.855 13.139 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.430 -12.202 10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.872 -13.533 11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.311 -11.618 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.283 -12.066 11.798 1.00 0.00 H new ATOM 750 N LEU A 51 -8.565 -11.221 10.205 1.00 0.00 N ATOM 751 CA LEU A 51 -7.390 -11.423 9.365 1.00 0.00 C ATOM 752 C LEU A 51 -6.124 -10.962 10.081 1.00 0.00 C ATOM 753 O LEU A 51 -5.042 -11.507 9.861 1.00 0.00 O ATOM 754 CB LEU A 51 -7.547 -10.669 8.043 1.00 0.00 C ATOM 755 CG LEU A 51 -8.432 -11.361 7.006 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.517 -10.527 5.736 1.00 0.00 C ATOM 757 CD2 LEU A 51 -7.904 -12.753 6.698 1.00 0.00 C ATOM 0 H LEU A 51 -9.198 -10.492 9.876 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.300 -12.489 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.961 -9.682 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.559 -10.515 7.610 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.436 -11.459 7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.151 -11.035 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.943 -9.551 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.519 -10.397 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.546 -13.230 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.890 -12.679 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.896 -13.349 7.610 1.00 0.00 H new ATOM 769 N THR A 52 -6.267 -9.955 10.937 1.00 0.00 N ATOM 770 CA THR A 52 -5.135 -9.419 11.685 1.00 0.00 C ATOM 771 C THR A 52 -4.464 -10.510 12.516 1.00 0.00 C ATOM 772 O THR A 52 -3.258 -10.464 12.759 1.00 0.00 O ATOM 773 CB THR A 52 -5.593 -8.279 12.595 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.695 -7.595 12.026 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.509 -7.258 12.866 1.00 0.00 C ATOM 0 H THR A 52 -7.156 -9.494 11.130 1.00 0.00 H new ATOM 0 HA THR A 52 -4.408 -9.035 10.969 1.00 0.00 H new ATOM 0 HB THR A 52 -5.867 -8.753 13.537 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.974 -6.870 12.624 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.900 -6.477 13.518 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.663 -7.745 13.351 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.182 -6.816 11.925 1.00 0.00 H new ATOM 783 N ARG A 53 -5.252 -11.488 12.947 1.00 0.00 N ATOM 784 CA ARG A 53 -4.734 -12.589 13.751 1.00 0.00 C ATOM 785 C ARG A 53 -4.043 -13.627 12.871 1.00 0.00 C ATOM 786 O ARG A 53 -2.992 -14.158 13.230 1.00 0.00 O ATOM 787 CB ARG A 53 -5.866 -13.248 14.542 1.00 0.00 C ATOM 788 CG ARG A 53 -6.704 -12.260 15.339 1.00 0.00 C ATOM 789 CD ARG A 53 -5.879 -11.555 16.404 1.00 0.00 C ATOM 790 NE ARG A 53 -5.884 -10.105 16.228 1.00 0.00 N ATOM 791 CZ ARG A 53 -6.942 -9.334 16.463 1.00 0.00 C ATOM 792 NH1 ARG A 53 -8.081 -9.868 16.887 1.00 0.00 N ATOM 793 NH2 ARG A 53 -6.863 -8.024 16.275 1.00 0.00 N ATOM 0 H ARG A 53 -6.252 -11.541 12.753 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.001 -12.183 14.448 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.514 -13.788 13.852 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.441 -13.985 15.224 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.135 -11.521 14.664 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.535 -12.785 15.810 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.272 -11.802 17.390 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.853 -11.921 16.369 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.026 -9.657 15.906 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.148 -10.875 17.034 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.889 -9.271 17.065 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.991 -7.607 15.950 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.675 -7.433 16.455 1.00 0.00 H new ATOM 807 N LEU A 54 -4.641 -13.910 11.720 1.00 0.00 N ATOM 808 CA LEU A 54 -4.085 -14.885 10.788 1.00 0.00 C ATOM 809 C LEU A 54 -2.826 -14.342 10.119 1.00 0.00 C ATOM 810 O LEU A 54 -1.904 -15.095 9.804 1.00 0.00 O ATOM 811 CB LEU A 54 -5.121 -15.256 9.726 1.00 0.00 C ATOM 812 CG LEU A 54 -4.839 -16.555 8.969 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.010 -17.756 9.886 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.750 -16.672 7.758 1.00 0.00 C ATOM 0 H LEU A 54 -5.511 -13.478 11.409 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.818 -15.778 11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.096 -15.338 10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.187 -14.441 9.005 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.806 -16.535 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.805 -18.671 9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.316 -17.677 10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.032 -17.782 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.536 -17.602 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.790 -16.670 8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.578 -15.828 7.090 1.00 0.00 H new ATOM 826 N LEU A 55 -2.795 -13.031 9.905 1.00 0.00 N ATOM 827 CA LEU A 55 -1.650 -12.387 9.272 1.00 0.00 C ATOM 828 C LEU A 55 -0.456 -12.344 10.221 1.00 0.00 C ATOM 829 O LEU A 55 0.676 -12.619 9.824 1.00 0.00 O ATOM 830 CB LEU A 55 -2.015 -10.968 8.831 1.00 0.00 C ATOM 831 CG LEU A 55 -3.142 -10.882 7.802 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.888 -9.563 7.938 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.590 -11.041 6.394 1.00 0.00 C ATOM 0 H LEU A 55 -3.549 -12.394 10.161 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.375 -12.974 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.302 -10.393 9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.126 -10.493 8.415 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.844 -11.694 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.687 -9.519 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.315 -9.488 8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.197 -8.736 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.406 -10.977 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.868 -10.249 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.100 -12.011 6.303 1.00 0.00 H new ATOM 845 N ALA A 56 -0.717 -11.996 11.477 1.00 0.00 N ATOM 846 CA ALA A 56 0.335 -11.916 12.483 1.00 0.00 C ATOM 847 C ALA A 56 0.999 -13.273 12.694 1.00 0.00 C ATOM 848 O ALA A 56 2.181 -13.352 13.025 1.00 0.00 O ATOM 849 CB ALA A 56 -0.229 -11.394 13.796 1.00 0.00 C ATOM 0 H ALA A 56 -1.649 -11.765 11.822 1.00 0.00 H new ATOM 0 HA ALA A 56 1.094 -11.221 12.123 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.568 -11.339 14.538 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.650 -10.400 13.642 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.009 -12.068 14.150 1.00 0.00 H new ATOM 855 N ARG A 57 0.230 -14.340 12.500 1.00 0.00 N ATOM 856 CA ARG A 57 0.744 -15.693 12.670 1.00 0.00 C ATOM 857 C ARG A 57 1.453 -16.169 11.406 1.00 0.00 C ATOM 858 O ARG A 57 2.507 -16.801 11.474 1.00 0.00 O ATOM 859 CB ARG A 57 -0.396 -16.652 13.022 1.00 0.00 C ATOM 860 CG ARG A 57 -0.009 -17.705 14.048 1.00 0.00 C ATOM 861 CD ARG A 57 -1.234 -18.296 14.728 1.00 0.00 C ATOM 862 NE ARG A 57 -1.659 -17.503 15.880 1.00 0.00 N ATOM 863 CZ ARG A 57 -0.951 -17.385 17.001 1.00 0.00 C ATOM 864 NH1 ARG A 57 0.219 -18.001 17.123 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.414 -16.650 18.003 1.00 0.00 N ATOM 0 H ARG A 57 -0.751 -14.293 12.225 1.00 0.00 H new ATOM 0 HA ARG A 57 1.466 -15.681 13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.239 -16.077 13.404 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.735 -17.149 12.113 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.557 -18.499 13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.646 -17.261 14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.052 -18.359 14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.014 -19.314 15.050 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.551 -17.011 15.821 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.579 -18.568 16.355 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.757 -17.907 17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.312 -16.175 17.915 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.872 -16.559 18.862 1.00 0.00 H new ATOM 879 N MET A 58 0.867 -15.861 10.253 1.00 0.00 N ATOM 880 CA MET A 58 1.444 -16.257 8.974 1.00 0.00 C ATOM 881 C MET A 58 2.834 -15.658 8.793 1.00 0.00 C ATOM 882 O MET A 58 3.730 -16.298 8.242 1.00 0.00 O ATOM 883 CB MET A 58 0.533 -15.821 7.824 1.00 0.00 C ATOM 884 CG MET A 58 -0.612 -16.785 7.555 1.00 0.00 C ATOM 885 SD MET A 58 -0.918 -17.030 5.795 1.00 0.00 S ATOM 886 CE MET A 58 -0.985 -15.333 5.224 1.00 0.00 C ATOM 0 H MET A 58 -0.006 -15.339 10.179 1.00 0.00 H new ATOM 0 HA MET A 58 1.535 -17.343 8.966 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.123 -14.837 8.050 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.130 -15.717 6.918 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.388 -17.746 8.018 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.518 -16.407 8.028 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.918 -15.167 4.685 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.935 -14.659 6.079 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.143 -15.139 4.560 1.00 0.00 H new ATOM 896 N TRP A 59 3.007 -14.426 9.259 1.00 0.00 N ATOM 897 CA TRP A 59 4.290 -13.739 9.147 1.00 0.00 C ATOM 898 C TRP A 59 5.387 -14.515 9.870 1.00 0.00 C ATOM 899 O TRP A 59 6.515 -14.609 9.386 1.00 0.00 O ATOM 900 CB TRP A 59 4.187 -12.325 9.721 1.00 0.00 C ATOM 901 CG TRP A 59 5.447 -11.528 9.566 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.262 -11.082 10.565 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.034 -11.084 8.337 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.321 -10.386 10.034 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.204 -10.374 8.668 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.686 -11.218 6.991 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.026 -9.800 7.701 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.502 -10.648 6.032 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.660 -9.948 6.391 1.00 0.00 C ATOM 0 H TRP A 59 2.276 -13.882 9.718 1.00 0.00 H new ATOM 0 HA TRP A 59 4.550 -13.677 8.090 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.370 -11.799 9.228 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.933 -12.388 10.779 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.099 -11.251 11.619 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.072 -9.949 10.569 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.795 -11.757 6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.919 -9.258 7.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.242 -10.744 4.988 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.277 -9.516 5.618 1.00 0.00 H new ATOM 920 N ASN A 60 5.049 -15.069 11.029 1.00 0.00 N ATOM 921 CA ASN A 60 6.005 -15.837 11.817 1.00 0.00 C ATOM 922 C ASN A 60 6.412 -17.114 11.088 1.00 0.00 C ATOM 923 O ASN A 60 7.538 -17.590 11.233 1.00 0.00 O ATOM 924 CB ASN A 60 5.409 -16.184 13.183 1.00 0.00 C ATOM 925 CG ASN A 60 4.961 -14.954 13.948 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.255 -13.824 13.558 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.242 -15.168 15.045 1.00 0.00 N ATOM 0 H ASN A 60 4.120 -15.000 11.444 1.00 0.00 H new ATOM 0 HA ASN A 60 6.895 -15.224 11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.559 -16.853 13.046 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.149 -16.725 13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.911 -14.379 15.600 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.021 -16.122 15.332 1.00 0.00 H new ATOM 934 N ASP A 61 5.489 -17.662 10.306 1.00 0.00 N ATOM 935 CA ASP A 61 5.751 -18.883 9.554 1.00 0.00 C ATOM 936 C ASP A 61 6.696 -18.614 8.386 1.00 0.00 C ATOM 937 O ASP A 61 7.445 -19.495 7.966 1.00 0.00 O ATOM 938 CB ASP A 61 4.440 -19.481 9.038 1.00 0.00 C ATOM 939 CG ASP A 61 3.894 -20.556 9.957 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.306 -21.726 9.812 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.055 -20.228 10.822 1.00 0.00 O ATOM 0 H ASP A 61 4.552 -17.280 10.176 1.00 0.00 H new ATOM 0 HA ASP A 61 6.229 -19.596 10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.700 -18.688 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.602 -19.903 8.046 1.00 0.00 H new ATOM 946 N LEU A 62 6.655 -17.391 7.866 1.00 0.00 N ATOM 947 CA LEU A 62 7.507 -17.007 6.746 1.00 0.00 C ATOM 948 C LEU A 62 8.981 -17.199 7.090 1.00 0.00 C ATOM 949 O LEU A 62 9.358 -17.221 8.261 1.00 0.00 O ATOM 950 CB LEU A 62 7.247 -15.550 6.359 1.00 0.00 C ATOM 951 CG LEU A 62 5.907 -15.291 5.668 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.783 -13.828 5.273 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.755 -16.191 4.450 1.00 0.00 C ATOM 0 H LEU A 62 6.041 -16.649 8.202 1.00 0.00 H new ATOM 0 HA LEU A 62 7.265 -17.651 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.299 -14.937 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.048 -15.217 5.700 1.00 0.00 H new ATOM 0 HG LEU A 62 5.106 -15.524 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.823 -13.664 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.847 -13.204 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.590 -13.566 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.796 -15.994 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.562 -15.989 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.797 -17.235 4.761 1.00 0.00 H new ATOM 965 N SER A 63 9.810 -17.335 6.060 1.00 0.00 N ATOM 966 CA SER A 63 11.243 -17.524 6.252 1.00 0.00 C ATOM 967 C SER A 63 12.015 -16.273 5.847 1.00 0.00 C ATOM 968 O SER A 63 11.427 -15.278 5.424 1.00 0.00 O ATOM 969 CB SER A 63 11.733 -18.724 5.439 1.00 0.00 C ATOM 970 OG SER A 63 10.740 -19.734 5.370 1.00 0.00 O ATOM 0 H SER A 63 9.514 -17.318 5.084 1.00 0.00 H new ATOM 0 HA SER A 63 11.421 -17.713 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.998 -18.401 4.432 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.638 -19.129 5.892 1.00 0.00 H new ATOM 0 HG SER A 63 11.077 -20.489 4.844 1.00 0.00 H new ATOM 976 N GLU A 64 13.337 -16.330 5.979 1.00 0.00 N ATOM 977 CA GLU A 64 14.189 -15.200 5.627 1.00 0.00 C ATOM 978 C GLU A 64 14.104 -14.899 4.134 1.00 0.00 C ATOM 979 O GLU A 64 13.986 -13.742 3.730 1.00 0.00 O ATOM 980 CB GLU A 64 15.640 -15.488 6.023 1.00 0.00 C ATOM 981 CG GLU A 64 16.105 -14.702 7.238 1.00 0.00 C ATOM 982 CD GLU A 64 16.291 -15.576 8.464 1.00 0.00 C ATOM 983 OE1 GLU A 64 16.763 -16.721 8.309 1.00 0.00 O ATOM 984 OE2 GLU A 64 15.965 -15.113 9.577 1.00 0.00 O ATOM 0 H GLU A 64 13.841 -17.146 6.327 1.00 0.00 H new ATOM 0 HA GLU A 64 13.838 -14.325 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.748 -16.553 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.291 -15.257 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.046 -14.204 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.378 -13.921 7.460 1.00 0.00 H new ATOM 991 N LYS A 65 14.165 -15.947 3.319 1.00 0.00 N ATOM 992 CA LYS A 65 14.094 -15.793 1.870 1.00 0.00 C ATOM 993 C LYS A 65 12.753 -15.200 1.450 1.00 0.00 C ATOM 994 O LYS A 65 12.683 -14.396 0.521 1.00 0.00 O ATOM 995 CB LYS A 65 14.305 -17.144 1.182 1.00 0.00 C ATOM 996 CG LYS A 65 15.676 -17.750 1.441 1.00 0.00 C ATOM 997 CD LYS A 65 15.579 -19.017 2.277 1.00 0.00 C ATOM 998 CE LYS A 65 15.127 -20.204 1.441 1.00 0.00 C ATOM 999 NZ LYS A 65 15.340 -21.495 2.151 1.00 0.00 N ATOM 0 H LYS A 65 14.263 -16.911 3.637 1.00 0.00 H new ATOM 0 HA LYS A 65 14.885 -15.109 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.539 -17.840 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.168 -17.021 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.160 -17.976 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.305 -17.022 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.549 -19.234 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.878 -18.860 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.071 -20.094 1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.674 -20.213 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.019 -22.280 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.351 -21.612 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.798 -21.497 3.039 1.00 0.00 H new ATOM 1013 N LYS A 66 11.691 -15.602 2.140 1.00 0.00 N ATOM 1014 CA LYS A 66 10.352 -15.110 1.838 1.00 0.00 C ATOM 1015 C LYS A 66 10.139 -13.717 2.422 1.00 0.00 C ATOM 1016 O LYS A 66 9.430 -12.892 1.846 1.00 0.00 O ATOM 1017 CB LYS A 66 9.297 -16.071 2.387 1.00 0.00 C ATOM 1018 CG LYS A 66 9.394 -17.476 1.812 1.00 0.00 C ATOM 1019 CD LYS A 66 8.021 -18.108 1.652 1.00 0.00 C ATOM 1020 CE LYS A 66 8.041 -19.583 2.018 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.709 -20.220 1.829 1.00 0.00 N ATOM 0 H LYS A 66 11.732 -16.267 2.912 1.00 0.00 H new ATOM 0 HA LYS A 66 10.251 -15.050 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.395 -16.124 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.306 -15.669 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.894 -17.441 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.007 -18.096 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.303 -17.585 2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.684 -17.992 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.780 -20.099 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.353 -19.695 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.765 -21.225 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.008 -19.744 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.422 -20.136 0.833 1.00 0.00 H new ATOM 1035 N LYS A 67 10.758 -13.462 3.570 1.00 0.00 N ATOM 1036 CA LYS A 67 10.636 -12.169 4.234 1.00 0.00 C ATOM 1037 C LYS A 67 11.455 -11.102 3.512 1.00 0.00 C ATOM 1038 O LYS A 67 11.123 -9.919 3.553 1.00 0.00 O ATOM 1039 CB LYS A 67 11.089 -12.276 5.692 1.00 0.00 C ATOM 1040 CG LYS A 67 9.952 -12.565 6.661 1.00 0.00 C ATOM 1041 CD LYS A 67 10.290 -13.717 7.594 1.00 0.00 C ATOM 1042 CE LYS A 67 9.619 -13.552 8.948 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.490 -14.019 10.061 1.00 0.00 N ATOM 0 H LYS A 67 11.349 -14.133 4.060 1.00 0.00 H new ATOM 0 HA LYS A 67 9.587 -11.874 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.836 -13.065 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.575 -11.345 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.738 -11.672 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.048 -12.803 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.974 -14.657 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.370 -13.774 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.365 -12.503 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.684 -14.112 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.995 -13.889 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.712 -15.026 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.372 -13.468 10.066 1.00 0.00 H new ATOM 1057 N ALA A 68 12.527 -11.531 2.851 1.00 0.00 N ATOM 1058 CA ALA A 68 13.392 -10.611 2.121 1.00 0.00 C ATOM 1059 C ALA A 68 12.604 -9.819 1.083 1.00 0.00 C ATOM 1060 O ALA A 68 12.952 -8.684 0.759 1.00 0.00 O ATOM 1061 CB ALA A 68 14.528 -11.374 1.455 1.00 0.00 C ATOM 0 H ALA A 68 12.816 -12.508 2.806 1.00 0.00 H new ATOM 0 HA ALA A 68 13.812 -9.903 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.167 -10.676 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.116 -11.888 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.116 -12.105 0.759 1.00 0.00 H new ATOM 1067 N LYS A 69 11.541 -10.425 0.563 1.00 0.00 N ATOM 1068 CA LYS A 69 10.704 -9.775 -0.439 1.00 0.00 C ATOM 1069 C LYS A 69 10.045 -8.523 0.130 1.00 0.00 C ATOM 1070 O LYS A 69 10.068 -7.461 -0.489 1.00 0.00 O ATOM 1071 CB LYS A 69 9.634 -10.743 -0.947 1.00 0.00 C ATOM 1072 CG LYS A 69 10.199 -12.039 -1.506 1.00 0.00 C ATOM 1073 CD LYS A 69 9.100 -12.939 -2.044 1.00 0.00 C ATOM 1074 CE LYS A 69 9.628 -14.325 -2.379 1.00 0.00 C ATOM 1075 NZ LYS A 69 10.427 -14.327 -3.636 1.00 0.00 N ATOM 0 H LYS A 69 11.239 -11.365 0.819 1.00 0.00 H new ATOM 0 HA LYS A 69 11.342 -9.480 -1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.951 -10.977 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.047 -10.249 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.909 -11.814 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.751 -12.563 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.302 -13.021 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.664 -12.489 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.245 -14.687 -1.556 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.792 -15.017 -2.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.768 -15.290 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.832 -14.006 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.239 -13.686 -3.532 1.00 0.00 H new ATOM 1089 N TYR A 70 9.456 -8.658 1.314 1.00 0.00 N ATOM 1090 CA TYR A 70 8.788 -7.539 1.968 1.00 0.00 C ATOM 1091 C TYR A 70 9.791 -6.668 2.719 1.00 0.00 C ATOM 1092 O TYR A 70 9.621 -5.454 2.820 1.00 0.00 O ATOM 1093 CB TYR A 70 7.716 -8.050 2.931 1.00 0.00 C ATOM 1094 CG TYR A 70 6.798 -9.085 2.322 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.651 -8.706 1.636 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.079 -10.442 2.433 1.00 0.00 C ATOM 1097 CE1 TYR A 70 4.810 -9.650 1.077 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.244 -11.391 1.876 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.110 -10.990 1.200 1.00 0.00 C ATOM 1100 OH TYR A 70 4.275 -11.932 0.645 1.00 0.00 O ATOM 0 H TYR A 70 9.428 -9.531 1.840 1.00 0.00 H new ATOM 0 HA TYR A 70 8.314 -6.931 1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.202 -8.478 3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.119 -7.206 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.413 -7.657 1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.965 -10.759 2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.922 -9.339 0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.478 -12.441 1.969 1.00 0.00 H new ATOM 0 HH TYR A 70 4.630 -12.828 0.821 1.00 0.00 H new ATOM 1110 N LYS A 71 10.838 -7.298 3.243 1.00 0.00 N ATOM 1111 CA LYS A 71 11.869 -6.581 3.984 1.00 0.00 C ATOM 1112 C LYS A 71 12.609 -5.602 3.078 1.00 0.00 C ATOM 1113 O LYS A 71 13.070 -4.553 3.528 1.00 0.00 O ATOM 1114 CB LYS A 71 12.858 -7.567 4.607 1.00 0.00 C ATOM 1115 CG LYS A 71 12.510 -7.960 6.034 1.00 0.00 C ATOM 1116 CD LYS A 71 13.428 -9.055 6.551 1.00 0.00 C ATOM 1117 CE LYS A 71 12.885 -9.683 7.826 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.557 -9.144 9.040 1.00 0.00 N ATOM 0 H LYS A 71 10.994 -8.303 3.168 1.00 0.00 H new ATOM 0 HA LYS A 71 11.383 -6.015 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.899 -8.466 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.855 -7.126 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.584 -7.086 6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.476 -8.301 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.545 -9.824 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.418 -8.641 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.813 -9.499 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.021 -10.764 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.159 -9.597 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.577 -9.341 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.406 -8.116 9.093 1.00 0.00 H new ATOM 1132 N ALA A 72 12.720 -5.953 1.801 1.00 0.00 N ATOM 1133 CA ALA A 72 13.404 -5.105 0.833 1.00 0.00 C ATOM 1134 C ALA A 72 12.542 -3.908 0.443 1.00 0.00 C ATOM 1135 O ALA A 72 13.027 -2.779 0.373 1.00 0.00 O ATOM 1136 CB ALA A 72 13.779 -5.912 -0.402 1.00 0.00 C ATOM 0 H ALA A 72 12.345 -6.819 1.413 1.00 0.00 H new ATOM 0 HA ALA A 72 14.314 -4.727 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.289 -5.267 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.440 -6.730 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.877 -6.318 -0.859 1.00 0.00 H new ATOM 1142 N ARG A 73 11.264 -4.165 0.189 1.00 0.00 N ATOM 1143 CA ARG A 73 10.332 -3.110 -0.194 1.00 0.00 C ATOM 1144 C ARG A 73 10.239 -2.042 0.892 1.00 0.00 C ATOM 1145 O ARG A 73 9.962 -0.877 0.608 1.00 0.00 O ATOM 1146 CB ARG A 73 8.947 -3.697 -0.469 1.00 0.00 C ATOM 1147 CG ARG A 73 8.936 -4.739 -1.574 1.00 0.00 C ATOM 1148 CD ARG A 73 7.745 -5.673 -1.447 1.00 0.00 C ATOM 1149 NE ARG A 73 7.210 -6.061 -2.752 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.525 -5.241 -3.544 1.00 0.00 C ATOM 1151 NH1 ARG A 73 6.287 -3.989 -3.172 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.074 -5.673 -4.714 1.00 0.00 N ATOM 0 H ARG A 73 10.849 -5.095 0.241 1.00 0.00 H new ATOM 0 HA ARG A 73 10.708 -2.643 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.564 -4.147 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.266 -2.889 -0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.908 -4.242 -2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.859 -5.318 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.042 -6.566 -0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.963 -5.186 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 73 7.372 -7.016 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.630 -3.650 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.761 -3.366 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.253 -6.634 -5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.549 -5.044 -5.322 1.00 0.00 H new ATOM 1166 N GLU A 74 10.470 -2.448 2.137 1.00 0.00 N ATOM 1167 CA GLU A 74 10.409 -1.526 3.265 1.00 0.00 C ATOM 1168 C GLU A 74 11.365 -0.353 3.067 1.00 0.00 C ATOM 1169 O GLU A 74 11.068 0.776 3.454 1.00 0.00 O ATOM 1170 CB GLU A 74 10.746 -2.258 4.567 1.00 0.00 C ATOM 1171 CG GLU A 74 10.690 -1.367 5.798 1.00 0.00 C ATOM 1172 CD GLU A 74 11.275 -2.037 7.027 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.248 -3.284 7.093 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.761 -1.313 7.922 1.00 0.00 O ATOM 0 H GLU A 74 10.701 -3.409 2.390 1.00 0.00 H new ATOM 0 HA GLU A 74 9.393 -1.135 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.052 -3.088 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.744 -2.688 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.233 -0.443 5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.654 -1.092 5.997 1.00 0.00 H new ATOM 1181 N ALA A 75 12.514 -0.630 2.459 1.00 0.00 N ATOM 1182 CA ALA A 75 13.515 0.401 2.208 1.00 0.00 C ATOM 1183 C ALA A 75 12.973 1.479 1.275 1.00 0.00 C ATOM 1184 O ALA A 75 13.373 2.641 1.354 1.00 0.00 O ATOM 1185 CB ALA A 75 14.775 -0.218 1.625 1.00 0.00 C ATOM 0 H ALA A 75 12.775 -1.560 2.131 1.00 0.00 H new ATOM 0 HA ALA A 75 13.761 0.872 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.513 0.563 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.182 -0.945 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.535 -0.716 0.686 1.00 0.00 H new ATOM 1191 N ALA A 76 12.060 1.088 0.392 1.00 0.00 N ATOM 1192 CA ALA A 76 11.465 2.022 -0.557 1.00 0.00 C ATOM 1193 C ALA A 76 10.203 2.660 0.014 1.00 0.00 C ATOM 1194 O ALA A 76 9.858 3.790 -0.330 1.00 0.00 O ATOM 1195 CB ALA A 76 11.155 1.314 -1.867 1.00 0.00 C ATOM 0 H ALA A 76 11.716 0.131 0.314 1.00 0.00 H new ATOM 0 HA ALA A 76 12.186 2.817 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.711 2.022 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.076 0.913 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.455 0.499 -1.683 1.00 0.00 H new ATOM 1201 N LEU A 77 9.517 1.929 0.887 1.00 0.00 N ATOM 1202 CA LEU A 77 8.291 2.426 1.502 1.00 0.00 C ATOM 1203 C LEU A 77 8.601 3.412 2.624 1.00 0.00 C ATOM 1204 O LEU A 77 7.834 4.342 2.876 1.00 0.00 O ATOM 1205 CB LEU A 77 7.461 1.262 2.046 1.00 0.00 C ATOM 1206 CG LEU A 77 6.933 0.293 0.987 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.848 -1.118 1.548 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.573 0.749 0.480 1.00 0.00 C ATOM 0 H LEU A 77 9.789 0.992 1.184 1.00 0.00 H new ATOM 0 HA LEU A 77 7.718 2.947 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.069 0.703 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.614 1.667 2.600 1.00 0.00 H new ATOM 0 HG LEU A 77 7.629 0.287 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.470 -1.793 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.839 -1.445 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.174 -1.129 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.212 0.048 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.868 0.784 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.663 1.741 0.038 1.00 0.00 H new ATOM 1220 N LYS A 78 9.730 3.205 3.295 1.00 0.00 N ATOM 1221 CA LYS A 78 10.138 4.077 4.390 1.00 0.00 C ATOM 1222 C LYS A 78 10.309 5.514 3.906 1.00 0.00 C ATOM 1223 O LYS A 78 10.090 6.463 4.658 1.00 0.00 O ATOM 1224 CB LYS A 78 11.442 3.575 5.013 1.00 0.00 C ATOM 1225 CG LYS A 78 11.407 3.515 6.532 1.00 0.00 C ATOM 1226 CD LYS A 78 11.805 2.142 7.047 1.00 0.00 C ATOM 1227 CE LYS A 78 13.299 2.058 7.322 1.00 0.00 C ATOM 1228 NZ LYS A 78 13.901 0.824 6.743 1.00 0.00 N ATOM 0 H LYS A 78 10.378 2.442 3.100 1.00 0.00 H new ATOM 0 HA LYS A 78 9.354 4.059 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.662 2.581 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.258 4.227 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.081 4.267 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.405 3.759 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.253 1.922 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.526 1.384 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.795 2.934 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.472 2.076 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.869 0.707 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.328 -0.001 7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.926 0.904 5.706 1.00 0.00 H new