USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 689 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 96 HIS : no HE2:sc=-0.00726 K(o=-1.4,f=-2.3) USER MOD Set 1.2: A 100 TYR OH : rot 104:sc= -1.4! USER MOD Set 2.1: A 78 SER OG : rot -28:sc= 0.325 USER MOD Set 2.2: A 79 ASN :FLIP amide:sc= 0.576 F(o=0.24,f=0.9) USER MOD Set 3.1: A 71 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-1.7) USER MOD Set 3.2: A 73 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.9) USER MOD Single : A 26 THR OG1 : rot 25:sc= 0.113 USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= -2.26! (180deg=-4.59!) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0362 (180deg=-0.253) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 122:sc= 0.463 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.337 F(o=-1.3,f=-0.34) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= -1 (180deg=-1.07) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -73:sc= -1.45 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 50 MET CE :methyl -111:sc= -1.61 (180deg=-6.05!) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.0308 (180deg=-0.23) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 60 TYR OH : rot 150:sc= -0.853 USER MOD Single : A 62 MET CE :methyl 151:sc= -0.329 (180deg=-1.29!) USER MOD Single : A 63 THR OG1 : rot 31:sc= -1.08! USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0448 (180deg=-0.375) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0483 (180deg=-0.317) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 76 TYR OH : rot 179:sc= 0.327 USER MOD Single : A 77 CYS SG : rot 42:sc= 0.464 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.173 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 102 MET CE :methyl 141:sc= -3.67! (180deg=-8.13!) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.42 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.642 2.888 -0.167 1.00 0.00 N ATOM 348 CA THR A 26 -11.863 1.461 -0.354 1.00 0.00 C ATOM 349 C THR A 26 -11.712 0.689 0.948 1.00 0.00 C ATOM 350 O THR A 26 -10.620 0.613 1.506 1.00 0.00 O ATOM 351 CB THR A 26 -10.872 0.892 -1.382 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.969 1.620 -2.611 1.00 0.00 O ATOM 353 CG2 THR A 26 -11.146 -0.582 -1.638 1.00 0.00 C ATOM 0 HA THR A 26 -12.885 1.344 -0.714 1.00 0.00 H new ATOM 0 HB THR A 26 -9.865 0.994 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.312 2.520 -2.432 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.433 -0.963 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.043 -1.138 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.159 -0.702 -2.023 1.00 0.00 H new ATOM 361 N LEU A 27 -12.797 0.056 1.389 1.00 0.00 N ATOM 362 CA LEU A 27 -12.698 -0.967 2.412 1.00 0.00 C ATOM 363 C LEU A 27 -12.223 -2.262 1.784 1.00 0.00 C ATOM 364 O LEU A 27 -13.013 -3.164 1.506 1.00 0.00 O ATOM 365 CB LEU A 27 -14.036 -1.183 3.119 1.00 0.00 C ATOM 366 CG LEU A 27 -13.931 -1.325 4.637 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.760 -2.225 5.008 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.768 0.040 5.280 1.00 0.00 C ATOM 0 H LEU A 27 -13.744 0.235 1.054 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.979 -0.636 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.694 -0.345 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.507 -2.079 2.714 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.849 -1.781 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.700 -2.315 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.906 -3.212 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.834 -1.793 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.694 -0.074 6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.862 0.514 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.630 0.661 5.039 1.00 0.00 H new ATOM 380 N VAL A 28 -10.935 -2.307 1.498 1.00 0.00 N ATOM 381 CA VAL A 28 -10.393 -3.291 0.576 1.00 0.00 C ATOM 382 C VAL A 28 -10.062 -4.579 1.302 1.00 0.00 C ATOM 383 O VAL A 28 -9.514 -4.565 2.404 1.00 0.00 O ATOM 384 CB VAL A 28 -9.136 -2.763 -0.140 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.371 -1.836 0.780 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.253 -3.909 -0.609 1.00 0.00 C ATOM 0 H VAL A 28 -10.241 -1.671 1.892 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.159 -3.488 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.447 -2.204 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.483 -1.466 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.006 -0.995 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.073 -2.379 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.373 -3.508 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.942 -4.503 0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.811 -4.538 -1.302 1.00 0.00 H new ATOM 396 N ARG A 29 -10.429 -5.690 0.690 1.00 0.00 N ATOM 397 CA ARG A 29 -10.361 -6.975 1.356 1.00 0.00 C ATOM 398 C ARG A 29 -9.778 -8.032 0.420 1.00 0.00 C ATOM 399 O ARG A 29 -10.502 -8.880 -0.101 1.00 0.00 O ATOM 400 CB ARG A 29 -11.757 -7.389 1.827 1.00 0.00 C ATOM 401 CG ARG A 29 -12.561 -6.241 2.422 1.00 0.00 C ATOM 402 CD ARG A 29 -13.965 -6.682 2.802 1.00 0.00 C ATOM 403 NE ARG A 29 -14.747 -5.588 3.372 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.980 -5.730 3.847 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.570 -6.917 3.824 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.625 -4.685 4.348 1.00 0.00 N ATOM 0 H ARG A 29 -10.777 -5.727 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.706 -6.889 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.307 -7.809 0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.661 -8.180 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.049 -5.855 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.617 -5.424 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.474 -7.070 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.906 -7.499 3.521 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.322 -4.661 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.077 -7.724 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.516 -7.023 4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.175 -3.770 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.571 -4.796 4.712 1.00 0.00 H new ATOM 420 N PRO A 30 -8.462 -7.960 0.161 1.00 0.00 N ATOM 421 CA PRO A 30 -7.823 -8.732 -0.906 1.00 0.00 C ATOM 422 C PRO A 30 -7.542 -10.175 -0.500 1.00 0.00 C ATOM 423 O PRO A 30 -7.420 -10.485 0.684 1.00 0.00 O ATOM 424 CB PRO A 30 -6.513 -7.978 -1.133 1.00 0.00 C ATOM 425 CG PRO A 30 -6.182 -7.396 0.198 1.00 0.00 C ATOM 426 CD PRO A 30 -7.499 -7.089 0.864 1.00 0.00 C ATOM 0 HA PRO A 30 -8.455 -8.810 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.725 -8.646 -1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.628 -7.201 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.598 -8.097 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.581 -6.493 0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.468 -7.307 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.763 -6.036 0.762 1.00 0.00 H new ATOM 434 N LYS A 31 -7.416 -11.046 -1.497 1.00 0.00 N ATOM 435 CA LYS A 31 -6.980 -12.419 -1.266 1.00 0.00 C ATOM 436 C LYS A 31 -5.619 -12.437 -0.574 1.00 0.00 C ATOM 437 O LYS A 31 -4.860 -11.474 -0.670 1.00 0.00 O ATOM 438 CB LYS A 31 -6.904 -13.178 -2.594 1.00 0.00 C ATOM 439 CG LYS A 31 -5.938 -12.563 -3.594 1.00 0.00 C ATOM 440 CD LYS A 31 -5.937 -13.317 -4.915 1.00 0.00 C ATOM 441 CE LYS A 31 -5.161 -14.623 -4.826 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.838 -15.621 -3.952 1.00 0.00 N ATOM 0 H LYS A 31 -7.610 -10.825 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.707 -12.910 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.604 -14.207 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.899 -13.216 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.210 -11.522 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.932 -12.563 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.964 -13.525 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.500 -12.688 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.040 -15.041 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.161 -14.424 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.673 -16.578 -4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.455 -15.554 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.860 -15.429 -3.933 1.00 0.00 H new ATOM 456 N PRO A 32 -5.301 -13.531 0.146 1.00 0.00 N ATOM 457 CA PRO A 32 -4.056 -13.638 0.922 1.00 0.00 C ATOM 458 C PRO A 32 -2.815 -13.341 0.087 1.00 0.00 C ATOM 459 O PRO A 32 -2.158 -14.254 -0.414 1.00 0.00 O ATOM 460 CB PRO A 32 -4.052 -15.095 1.389 1.00 0.00 C ATOM 461 CG PRO A 32 -5.486 -15.493 1.406 1.00 0.00 C ATOM 462 CD PRO A 32 -6.135 -14.742 0.275 1.00 0.00 C ATOM 0 HA PRO A 32 -4.024 -12.914 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.475 -15.725 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.603 -15.192 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.594 -16.569 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.950 -15.241 2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.140 -15.326 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.172 -14.494 0.500 1.00 0.00 H new ATOM 470 N LEU A 33 -2.494 -12.058 -0.048 1.00 0.00 N ATOM 471 CA LEU A 33 -1.309 -11.630 -0.785 1.00 0.00 C ATOM 472 C LEU A 33 -0.756 -10.334 -0.206 1.00 0.00 C ATOM 473 O LEU A 33 0.449 -10.089 -0.245 1.00 0.00 O ATOM 474 CB LEU A 33 -1.638 -11.440 -2.269 1.00 0.00 C ATOM 475 CG LEU A 33 -1.959 -12.723 -3.039 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.417 -12.394 -4.451 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.749 -13.644 -3.069 1.00 0.00 C ATOM 0 H LEU A 33 -3.041 -11.292 0.346 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.552 -12.408 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.489 -10.764 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.793 -10.949 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.770 -13.240 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.641 -13.317 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.312 -11.773 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.627 -11.855 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.996 -14.551 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.082 -13.137 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.465 -13.905 -2.050 1.00 0.00 H new ATOM 489 N LEU A 34 -1.646 -9.518 0.347 1.00 0.00 N ATOM 490 CA LEU A 34 -1.245 -8.299 1.028 1.00 0.00 C ATOM 491 C LEU A 34 -1.211 -8.534 2.526 1.00 0.00 C ATOM 492 O LEU A 34 -0.503 -7.849 3.260 1.00 0.00 O ATOM 493 CB LEU A 34 -2.218 -7.158 0.713 1.00 0.00 C ATOM 494 CG LEU A 34 -2.003 -6.464 -0.634 1.00 0.00 C ATOM 495 CD1 LEU A 34 -0.614 -5.852 -0.696 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.219 -7.439 -1.783 1.00 0.00 C ATOM 0 H LEU A 34 -2.653 -9.682 0.335 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.251 -8.020 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.234 -7.552 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.143 -6.411 1.503 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.736 -5.663 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.475 -5.362 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.503 -5.119 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.134 -6.635 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.061 -6.925 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.513 -8.265 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.237 -7.826 -1.745 1.00 0.00 H new ATOM 508 N LEU A 35 -2.024 -9.477 2.974 1.00 0.00 N ATOM 509 CA LEU A 35 -2.364 -9.580 4.381 1.00 0.00 C ATOM 510 C LEU A 35 -1.596 -10.718 5.041 1.00 0.00 C ATOM 511 O LEU A 35 -1.308 -10.676 6.235 1.00 0.00 O ATOM 512 CB LEU A 35 -3.869 -9.784 4.537 1.00 0.00 C ATOM 513 CG LEU A 35 -4.692 -9.375 3.313 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.763 -10.524 2.320 1.00 0.00 C ATOM 515 CD2 LEU A 35 -6.087 -8.930 3.725 1.00 0.00 C ATOM 0 H LEU A 35 -2.461 -10.183 2.381 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.081 -8.652 4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.060 -10.835 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.214 -9.213 5.399 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.199 -8.531 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.351 -10.221 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.756 -10.791 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.233 -11.386 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.654 -8.644 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.595 -9.750 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.012 -8.077 4.399 1.00 0.00 H new ATOM 527 N LYS A 36 -1.189 -11.692 4.237 1.00 0.00 N ATOM 528 CA LYS A 36 -0.061 -12.540 4.593 1.00 0.00 C ATOM 529 C LYS A 36 1.206 -11.698 4.647 1.00 0.00 C ATOM 530 O LYS A 36 2.240 -12.129 5.157 1.00 0.00 O ATOM 531 CB LYS A 36 0.099 -13.668 3.575 1.00 0.00 C ATOM 532 CG LYS A 36 1.070 -14.755 4.010 1.00 0.00 C ATOM 533 CD LYS A 36 0.565 -15.499 5.235 1.00 0.00 C ATOM 534 CE LYS A 36 1.549 -16.570 5.682 1.00 0.00 C ATOM 535 NZ LYS A 36 1.804 -17.572 4.611 1.00 0.00 N ATOM 0 H LYS A 36 -1.621 -11.913 3.340 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.242 -12.984 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.876 -14.118 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.440 -13.246 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.219 -15.459 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.041 -14.310 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.400 -14.793 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.398 -15.958 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.489 -16.101 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.159 -17.075 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.296 -18.394 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.899 -17.878 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.395 -17.145 3.870 1.00 0.00 H new ATOM 549 N LEU A 37 1.101 -10.487 4.109 1.00 0.00 N ATOM 550 CA LEU A 37 2.222 -9.563 4.039 1.00 0.00 C ATOM 551 C LEU A 37 2.095 -8.479 5.108 1.00 0.00 C ATOM 552 O LEU A 37 3.077 -7.822 5.458 1.00 0.00 O ATOM 553 CB LEU A 37 2.274 -8.936 2.641 1.00 0.00 C ATOM 554 CG LEU A 37 3.394 -7.924 2.414 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.879 -7.979 0.976 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.914 -6.526 2.759 1.00 0.00 C ATOM 0 H LEU A 37 0.236 -10.121 3.710 1.00 0.00 H new ATOM 0 HA LEU A 37 3.147 -10.108 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.377 -9.735 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.320 -8.445 2.447 1.00 0.00 H new ATOM 0 HG LEU A 37 4.229 -8.178 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.677 -7.251 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.256 -8.978 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.052 -7.748 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.721 -5.813 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.065 -6.266 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.610 -6.493 3.805 1.00 0.00 H new ATOM 568 N LEU A 38 0.879 -8.283 5.610 1.00 0.00 N ATOM 569 CA LEU A 38 0.598 -7.177 6.521 1.00 0.00 C ATOM 570 C LEU A 38 0.233 -7.676 7.916 1.00 0.00 C ATOM 571 O LEU A 38 0.708 -7.143 8.918 1.00 0.00 O ATOM 572 CB LEU A 38 -0.531 -6.310 5.967 1.00 0.00 C ATOM 573 CG LEU A 38 -0.163 -5.474 4.743 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.370 -4.693 4.251 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.988 -4.539 5.066 1.00 0.00 C ATOM 0 H LEU A 38 0.074 -8.874 5.402 1.00 0.00 H new ATOM 0 HA LEU A 38 1.506 -6.580 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.371 -6.955 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.875 -5.640 6.755 1.00 0.00 H new ATOM 0 HG LEU A 38 0.156 -6.146 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.090 -4.103 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.166 -5.386 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.720 -4.029 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.238 -3.951 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.698 -3.871 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.857 -5.123 5.370 1.00 0.00 H new ATOM 587 N LYS A 39 -0.604 -8.705 7.981 1.00 0.00 N ATOM 588 CA LYS A 39 -0.949 -9.320 9.258 1.00 0.00 C ATOM 589 C LYS A 39 0.297 -9.874 9.941 1.00 0.00 C ATOM 590 O LYS A 39 0.259 -10.255 11.112 1.00 0.00 O ATOM 591 CB LYS A 39 -1.977 -10.435 9.059 1.00 0.00 C ATOM 592 CG LYS A 39 -3.297 -9.953 8.473 1.00 0.00 C ATOM 593 CD LYS A 39 -4.303 -11.086 8.358 1.00 0.00 C ATOM 594 CE LYS A 39 -3.852 -12.141 7.360 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.818 -13.270 7.271 1.00 0.00 N ATOM 0 H LYS A 39 -1.054 -9.129 7.170 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.386 -8.552 9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.554 -11.194 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.169 -10.915 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.708 -9.163 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.122 -9.519 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.445 -11.547 9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.269 -10.685 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.736 -11.685 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.874 -12.522 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.474 -13.967 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.910 -13.722 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.745 -12.910 6.967 1.00 0.00 H new ATOM 609 N SER A 40 1.404 -9.907 9.204 1.00 0.00 N ATOM 610 CA SER A 40 2.676 -10.366 9.748 1.00 0.00 C ATOM 611 C SER A 40 3.452 -9.214 10.384 1.00 0.00 C ATOM 612 O SER A 40 4.087 -9.384 11.425 1.00 0.00 O ATOM 613 CB SER A 40 3.519 -11.017 8.649 1.00 0.00 C ATOM 614 OG SER A 40 2.848 -12.129 8.083 1.00 0.00 O ATOM 0 H SER A 40 1.444 -9.620 8.226 1.00 0.00 H new ATOM 0 HA SER A 40 2.463 -11.104 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.736 -10.285 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.476 -11.337 9.062 1.00 0.00 H new ATOM 0 HG SER A 40 2.735 -11.987 7.120 1.00 0.00 H new ATOM 620 N VAL A 41 3.410 -8.047 9.746 1.00 0.00 N ATOM 621 CA VAL A 41 4.180 -6.896 10.207 1.00 0.00 C ATOM 622 C VAL A 41 3.533 -6.244 11.427 1.00 0.00 C ATOM 623 O VAL A 41 4.229 -5.748 12.315 1.00 0.00 O ATOM 624 CB VAL A 41 4.361 -5.845 9.086 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.084 -5.683 8.280 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.793 -4.507 9.660 1.00 0.00 C ATOM 0 H VAL A 41 2.852 -7.874 8.910 1.00 0.00 H new ATOM 0 HA VAL A 41 5.163 -7.270 10.492 1.00 0.00 H new ATOM 0 HB VAL A 41 5.145 -6.204 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.239 -4.939 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.818 -6.637 7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.278 -5.357 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.913 -3.786 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.035 -4.148 10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.741 -4.625 10.185 1.00 0.00 H new ATOM 636 N GLY A 42 2.203 -6.245 11.472 1.00 0.00 N ATOM 637 CA GLY A 42 1.510 -5.609 12.579 1.00 0.00 C ATOM 638 C GLY A 42 0.074 -6.075 12.731 1.00 0.00 C ATOM 639 O GLY A 42 -0.359 -6.415 13.832 1.00 0.00 O ATOM 0 H GLY A 42 1.598 -6.670 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.051 -5.812 13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.521 -4.529 12.434 1.00 0.00 H new ATOM 643 N ALA A 43 -0.680 -6.046 11.637 1.00 0.00 N ATOM 644 CA ALA A 43 -2.126 -6.222 11.704 1.00 0.00 C ATOM 645 C ALA A 43 -2.501 -7.649 12.093 1.00 0.00 C ATOM 646 O ALA A 43 -1.669 -8.555 12.049 1.00 0.00 O ATOM 647 CB ALA A 43 -2.764 -5.853 10.374 1.00 0.00 C ATOM 0 H ALA A 43 -0.315 -5.903 10.696 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.506 -5.556 12.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.844 -5.989 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.543 -4.811 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.364 -6.494 9.588 1.00 0.00 H new ATOM 653 N GLN A 44 -3.764 -7.839 12.463 1.00 0.00 N ATOM 654 CA GLN A 44 -4.287 -9.165 12.779 1.00 0.00 C ATOM 655 C GLN A 44 -5.749 -9.278 12.361 1.00 0.00 C ATOM 656 O GLN A 44 -6.489 -10.122 12.870 1.00 0.00 O ATOM 657 CB GLN A 44 -4.150 -9.451 14.277 1.00 0.00 C ATOM 658 CG GLN A 44 -2.711 -9.533 14.758 1.00 0.00 C ATOM 659 CD GLN A 44 -1.938 -10.667 14.111 1.00 0.00 C ATOM 660 OE1 GLN A 44 -2.636 -11.747 13.774 1.00 0.00 O flip ATOM 661 NE2 GLN A 44 -0.727 -10.576 13.916 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.448 -7.087 12.552 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.706 -9.901 12.224 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.666 -8.669 14.835 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.653 -10.390 14.505 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.208 -8.589 14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.701 -9.664 15.840 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.229 -9.729 14.190 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.221 -11.347 13.481 1.00 0.00 H new ATOM 670 N LYS A 45 -6.165 -8.410 11.443 1.00 0.00 N ATOM 671 CA LYS A 45 -7.564 -8.332 11.035 1.00 0.00 C ATOM 672 C LYS A 45 -7.823 -9.196 9.804 1.00 0.00 C ATOM 673 O LYS A 45 -6.939 -9.914 9.339 1.00 0.00 O ATOM 674 CB LYS A 45 -7.944 -6.880 10.740 1.00 0.00 C ATOM 675 CG LYS A 45 -7.744 -5.949 11.926 1.00 0.00 C ATOM 676 CD LYS A 45 -7.844 -4.490 11.515 1.00 0.00 C ATOM 677 CE LYS A 45 -6.673 -4.077 10.637 1.00 0.00 C ATOM 678 NZ LYS A 45 -5.370 -4.230 11.339 1.00 0.00 N ATOM 0 H LYS A 45 -5.551 -7.749 10.967 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.179 -8.707 11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.349 -6.520 9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.988 -6.842 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.492 -6.165 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.768 -6.135 12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.778 -4.325 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.872 -3.861 12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.669 -4.681 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.799 -3.039 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.601 -3.906 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.376 -3.661 12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.221 -5.231 11.581 1.00 0.00 H new ATOM 692 N ASP A 46 -9.046 -9.120 9.286 1.00 0.00 N ATOM 693 CA ASP A 46 -9.432 -9.904 8.118 1.00 0.00 C ATOM 694 C ASP A 46 -9.633 -9.006 6.900 1.00 0.00 C ATOM 695 O ASP A 46 -9.768 -9.491 5.776 1.00 0.00 O ATOM 696 CB ASP A 46 -10.713 -10.688 8.405 1.00 0.00 C ATOM 697 CG ASP A 46 -10.557 -11.649 9.568 1.00 0.00 C ATOM 698 OD1 ASP A 46 -10.168 -12.811 9.329 1.00 0.00 O ATOM 699 OD2 ASP A 46 -10.823 -11.239 10.716 1.00 0.00 O ATOM 0 H ASP A 46 -9.786 -8.524 9.657 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.626 -10.605 7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.522 -9.990 8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.002 -11.245 7.514 1.00 0.00 H new ATOM 704 N THR A 47 -9.650 -7.697 7.130 1.00 0.00 N ATOM 705 CA THR A 47 -9.809 -6.731 6.047 1.00 0.00 C ATOM 706 C THR A 47 -8.839 -5.572 6.199 1.00 0.00 C ATOM 707 O THR A 47 -8.219 -5.398 7.248 1.00 0.00 O ATOM 708 CB THR A 47 -11.238 -6.162 5.994 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.551 -5.512 7.232 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.256 -7.255 5.722 1.00 0.00 C ATOM 0 H THR A 47 -9.556 -7.280 8.056 1.00 0.00 H new ATOM 0 HA THR A 47 -9.602 -7.270 5.123 1.00 0.00 H new ATOM 0 HB THR A 47 -11.283 -5.441 5.178 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.461 -5.151 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.256 -6.822 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.035 -7.728 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.209 -8.001 6.515 1.00 0.00 H new ATOM 718 N TYR A 48 -8.733 -4.766 5.149 1.00 0.00 N ATOM 719 CA TYR A 48 -7.944 -3.548 5.206 1.00 0.00 C ATOM 720 C TYR A 48 -8.675 -2.387 4.563 1.00 0.00 C ATOM 721 O TYR A 48 -9.800 -2.528 4.081 1.00 0.00 O ATOM 722 CB TYR A 48 -6.606 -3.740 4.510 1.00 0.00 C ATOM 723 CG TYR A 48 -5.652 -4.601 5.287 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.769 -5.982 5.279 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.629 -4.027 6.021 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.890 -6.774 5.989 1.00 0.00 C ATOM 727 CE2 TYR A 48 -3.742 -4.811 6.737 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.878 -6.186 6.716 1.00 0.00 C ATOM 729 OH TYR A 48 -2.999 -6.974 7.420 1.00 0.00 O ATOM 0 H TYR A 48 -9.184 -4.936 4.250 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.778 -3.321 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.774 -4.188 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.149 -2.765 4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.560 -6.445 4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.522 -2.952 6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.995 -7.849 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.949 -4.352 7.308 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.449 -7.342 8.209 1.00 0.00 H new ATOM 739 N THR A 49 -8.018 -1.240 4.550 1.00 0.00 N ATOM 740 CA THR A 49 -8.604 -0.050 3.967 1.00 0.00 C ATOM 741 C THR A 49 -7.528 0.923 3.505 1.00 0.00 C ATOM 742 O THR A 49 -6.702 1.356 4.302 1.00 0.00 O ATOM 743 CB THR A 49 -9.522 0.670 4.971 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.914 -0.228 6.014 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.761 1.212 4.278 1.00 0.00 C ATOM 0 H THR A 49 -7.083 -1.110 4.935 1.00 0.00 H new ATOM 0 HA THR A 49 -9.192 -0.376 3.109 1.00 0.00 H new ATOM 0 HB THR A 49 -8.966 1.504 5.399 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.496 0.241 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.395 1.717 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.465 1.920 3.504 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.314 0.389 3.825 1.00 0.00 H new ATOM 753 N MET A 50 -7.591 1.295 2.227 1.00 0.00 N ATOM 754 CA MET A 50 -6.949 2.513 1.723 1.00 0.00 C ATOM 755 C MET A 50 -5.695 2.883 2.519 1.00 0.00 C ATOM 756 O MET A 50 -4.577 2.550 2.127 1.00 0.00 O ATOM 757 CB MET A 50 -7.937 3.680 1.758 1.00 0.00 C ATOM 758 CG MET A 50 -9.366 3.271 2.063 1.00 0.00 C ATOM 759 SD MET A 50 -10.321 4.605 2.816 1.00 0.00 S ATOM 760 CE MET A 50 -11.980 3.936 2.729 1.00 0.00 C ATOM 0 H MET A 50 -8.087 0.763 1.512 1.00 0.00 H new ATOM 0 HA MET A 50 -6.643 2.312 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.608 4.399 2.508 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.914 4.191 0.795 1.00 0.00 H new ATOM 0 HG2 MET A 50 -9.854 2.954 1.141 1.00 0.00 H new ATOM 0 HG3 MET A 50 -9.359 2.411 2.732 1.00 0.00 H new ATOM 0 HE1 MET A 50 -12.565 4.508 2.009 1.00 0.00 H new ATOM 0 HE2 MET A 50 -11.936 2.893 2.415 1.00 0.00 H new ATOM 0 HE3 MET A 50 -12.450 4.000 3.710 1.00 0.00 H new ATOM 770 N LYS A 51 -5.895 3.605 3.621 1.00 0.00 N ATOM 771 CA LYS A 51 -4.787 4.188 4.370 1.00 0.00 C ATOM 772 C LYS A 51 -4.193 3.170 5.333 1.00 0.00 C ATOM 773 O LYS A 51 -2.977 3.088 5.491 1.00 0.00 O ATOM 774 CB LYS A 51 -5.259 5.424 5.140 1.00 0.00 C ATOM 775 CG LYS A 51 -4.152 6.118 5.915 1.00 0.00 C ATOM 776 CD LYS A 51 -4.672 7.342 6.653 1.00 0.00 C ATOM 777 CE LYS A 51 -3.562 8.049 7.413 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.927 7.159 8.423 1.00 0.00 N ATOM 0 H LYS A 51 -6.816 3.799 4.014 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.015 4.486 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.699 6.133 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.047 5.131 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.713 5.420 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.358 6.415 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.124 8.033 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.457 7.043 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.806 8.398 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.967 8.931 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.337 7.727 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.666 6.674 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.334 6.454 7.940 1.00 0.00 H new ATOM 792 N GLU A 52 -5.064 2.381 5.951 1.00 0.00 N ATOM 793 CA GLU A 52 -4.638 1.255 6.769 1.00 0.00 C ATOM 794 C GLU A 52 -3.535 0.472 6.068 1.00 0.00 C ATOM 795 O GLU A 52 -2.413 0.371 6.567 1.00 0.00 O ATOM 796 CB GLU A 52 -5.827 0.334 7.037 1.00 0.00 C ATOM 797 CG GLU A 52 -5.844 -0.259 8.435 1.00 0.00 C ATOM 798 CD GLU A 52 -7.097 -1.066 8.705 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.130 -2.256 8.328 1.00 0.00 O ATOM 800 OE2 GLU A 52 -8.048 -0.508 9.296 1.00 0.00 O ATOM 0 H GLU A 52 -6.075 2.503 5.900 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.251 1.638 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.749 0.893 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.817 -0.477 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.969 -0.896 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.767 0.544 9.168 1.00 0.00 H new ATOM 807 N VAL A 53 -3.866 -0.070 4.903 1.00 0.00 N ATOM 808 CA VAL A 53 -2.914 -0.837 4.112 1.00 0.00 C ATOM 809 C VAL A 53 -1.832 0.067 3.524 1.00 0.00 C ATOM 810 O VAL A 53 -0.733 -0.391 3.208 1.00 0.00 O ATOM 811 CB VAL A 53 -3.625 -1.597 2.974 1.00 0.00 C ATOM 812 CG1 VAL A 53 -4.503 -0.652 2.169 1.00 0.00 C ATOM 813 CG2 VAL A 53 -2.620 -2.299 2.075 1.00 0.00 C ATOM 0 H VAL A 53 -4.792 0.009 4.484 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.445 -1.559 4.781 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.262 -2.360 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.997 -1.206 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.255 -0.209 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.888 0.137 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.148 -2.827 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.948 -1.562 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.042 -3.012 2.663 1.00 0.00 H new ATOM 823 N LEU A 54 -2.142 1.353 3.387 1.00 0.00 N ATOM 824 CA LEU A 54 -1.184 2.317 2.855 1.00 0.00 C ATOM 825 C LEU A 54 0.116 2.288 3.653 1.00 0.00 C ATOM 826 O LEU A 54 1.152 1.842 3.155 1.00 0.00 O ATOM 827 CB LEU A 54 -1.780 3.728 2.865 1.00 0.00 C ATOM 828 CG LEU A 54 -1.031 4.763 2.019 1.00 0.00 C ATOM 829 CD1 LEU A 54 -1.952 5.916 1.654 1.00 0.00 C ATOM 830 CD2 LEU A 54 0.201 5.270 2.751 1.00 0.00 C ATOM 0 H LEU A 54 -3.047 1.751 3.636 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.961 2.039 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.810 3.672 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.815 4.082 3.895 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.702 4.280 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.405 6.643 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.800 5.538 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.313 6.396 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.716 6.004 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.099 5.735 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.871 4.435 2.958 1.00 0.00 H new ATOM 842 N PHE A 55 0.063 2.769 4.893 1.00 0.00 N ATOM 843 CA PHE A 55 1.254 2.830 5.731 1.00 0.00 C ATOM 844 C PHE A 55 1.704 1.433 6.147 1.00 0.00 C ATOM 845 O PHE A 55 2.889 1.204 6.384 1.00 0.00 O ATOM 846 CB PHE A 55 1.006 3.699 6.970 1.00 0.00 C ATOM 847 CG PHE A 55 -0.142 3.241 7.827 1.00 0.00 C ATOM 848 CD1 PHE A 55 0.001 2.162 8.685 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.362 3.897 7.781 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.050 1.743 9.478 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.416 3.483 8.571 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.261 2.405 9.421 1.00 0.00 C ATOM 0 H PHE A 55 -0.786 3.119 5.336 1.00 0.00 H new ATOM 0 HA PHE A 55 2.050 3.285 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.912 3.715 7.575 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.819 4.724 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.946 1.642 8.734 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.490 4.741 7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.925 0.900 10.141 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.362 4.002 8.524 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.085 2.081 10.040 1.00 0.00 H new ATOM 862 N TYR A 56 0.755 0.506 6.240 1.00 0.00 N ATOM 863 CA TYR A 56 1.059 -0.854 6.675 1.00 0.00 C ATOM 864 C TYR A 56 2.016 -1.541 5.712 1.00 0.00 C ATOM 865 O TYR A 56 3.050 -2.064 6.125 1.00 0.00 O ATOM 866 CB TYR A 56 -0.219 -1.676 6.814 1.00 0.00 C ATOM 867 CG TYR A 56 -0.519 -2.072 8.241 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.496 -2.494 9.092 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.815 -2.019 8.739 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.228 -2.856 10.397 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.092 -2.376 10.044 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.067 -2.796 10.869 1.00 0.00 C ATOM 873 OH TYR A 56 -1.339 -3.154 12.170 1.00 0.00 O ATOM 0 H TYR A 56 -0.228 0.670 6.021 1.00 0.00 H new ATOM 0 HA TYR A 56 1.543 -0.786 7.649 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.057 -1.102 6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.133 -2.576 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.511 -2.539 8.726 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.619 -1.693 8.095 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.027 -3.184 11.045 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.104 -2.327 10.417 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.298 -3.054 12.343 1.00 0.00 H new ATOM 883 N LEU A 57 1.680 -1.529 4.430 1.00 0.00 N ATOM 884 CA LEU A 57 2.586 -2.046 3.417 1.00 0.00 C ATOM 885 C LEU A 57 3.900 -1.282 3.448 1.00 0.00 C ATOM 886 O LEU A 57 4.971 -1.880 3.391 1.00 0.00 O ATOM 887 CB LEU A 57 1.952 -1.962 2.025 1.00 0.00 C ATOM 888 CG LEU A 57 2.888 -2.308 0.861 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.581 -3.639 1.102 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.115 -2.343 -0.447 1.00 0.00 C ATOM 0 H LEU A 57 0.796 -1.171 4.070 1.00 0.00 H new ATOM 0 HA LEU A 57 2.784 -3.095 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.094 -2.634 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.572 -0.951 1.877 1.00 0.00 H new ATOM 0 HG LEU A 57 3.652 -1.533 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.240 -3.863 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.167 -3.583 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.833 -4.427 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.793 -2.590 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.331 -3.097 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.666 -1.367 -0.631 1.00 0.00 H new ATOM 902 N GLY A 58 3.808 0.037 3.584 1.00 0.00 N ATOM 903 CA GLY A 58 4.993 0.836 3.831 1.00 0.00 C ATOM 904 C GLY A 58 5.882 0.224 4.895 1.00 0.00 C ATOM 905 O GLY A 58 7.105 0.188 4.745 1.00 0.00 O ATOM 0 H GLY A 58 2.937 0.565 3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.558 0.942 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.696 1.838 4.140 1.00 0.00 H new ATOM 909 N GLN A 59 5.263 -0.283 5.960 1.00 0.00 N ATOM 910 CA GLN A 59 6.001 -0.969 7.013 1.00 0.00 C ATOM 911 C GLN A 59 6.762 -2.161 6.444 1.00 0.00 C ATOM 912 O GLN A 59 7.992 -2.180 6.453 1.00 0.00 O ATOM 913 CB GLN A 59 5.058 -1.447 8.123 1.00 0.00 C ATOM 914 CG GLN A 59 4.093 -0.384 8.623 1.00 0.00 C ATOM 915 CD GLN A 59 4.785 0.920 8.975 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.944 0.930 9.390 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.073 2.030 8.810 1.00 0.00 N ATOM 0 H GLN A 59 4.256 -0.231 6.114 1.00 0.00 H new ATOM 0 HA GLN A 59 6.711 -0.258 7.437 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.485 -2.298 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.655 -1.803 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.340 -0.195 7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.568 -0.760 9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.115 1.975 8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.484 2.937 9.030 1.00 0.00 H new ATOM 926 N TYR A 60 6.020 -3.165 5.976 1.00 0.00 N ATOM 927 CA TYR A 60 6.617 -4.447 5.610 1.00 0.00 C ATOM 928 C TYR A 60 7.769 -4.252 4.628 1.00 0.00 C ATOM 929 O TYR A 60 8.786 -4.943 4.707 1.00 0.00 O ATOM 930 CB TYR A 60 5.567 -5.383 5.003 1.00 0.00 C ATOM 931 CG TYR A 60 6.123 -6.734 4.616 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.695 -6.938 3.367 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.084 -7.801 5.503 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.211 -8.170 3.013 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.602 -9.034 5.157 1.00 0.00 C ATOM 936 CZ TYR A 60 7.164 -9.213 3.912 1.00 0.00 C ATOM 937 OH TYR A 60 7.683 -10.438 3.565 1.00 0.00 O ATOM 0 H TYR A 60 5.010 -3.115 5.842 1.00 0.00 H new ATOM 0 HA TYR A 60 7.008 -4.902 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.757 -5.523 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.135 -4.910 4.121 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.737 -6.121 2.662 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.642 -7.665 6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.649 -8.315 2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.567 -9.854 5.859 1.00 0.00 H new ATOM 0 HH TYR A 60 8.014 -10.892 4.368 1.00 0.00 H new ATOM 947 N ILE A 61 7.609 -3.303 3.711 1.00 0.00 N ATOM 948 CA ILE A 61 8.670 -2.962 2.772 1.00 0.00 C ATOM 949 C ILE A 61 9.949 -2.599 3.517 1.00 0.00 C ATOM 950 O ILE A 61 10.966 -3.281 3.398 1.00 0.00 O ATOM 951 CB ILE A 61 8.273 -1.779 1.871 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.888 -1.999 1.270 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.297 -1.584 0.764 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.255 -0.724 0.765 1.00 0.00 C ATOM 0 H ILE A 61 6.755 -2.757 3.599 1.00 0.00 H new ATOM 0 HA ILE A 61 8.837 -3.841 2.149 1.00 0.00 H new ATOM 0 HB ILE A 61 8.246 -0.880 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.963 -2.711 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.239 -2.448 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.000 -0.743 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.274 -1.381 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.353 -2.487 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.272 -0.946 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.150 -0.019 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.886 -0.286 -0.009 1.00 0.00 H new ATOM 966 N MET A 62 9.884 -1.517 4.288 1.00 0.00 N ATOM 967 CA MET A 62 11.043 -1.054 5.048 1.00 0.00 C ATOM 968 C MET A 62 11.264 -1.895 6.307 1.00 0.00 C ATOM 969 O MET A 62 12.079 -1.543 7.159 1.00 0.00 O ATOM 970 CB MET A 62 10.879 0.422 5.424 1.00 0.00 C ATOM 971 CG MET A 62 9.632 0.717 6.245 1.00 0.00 C ATOM 972 SD MET A 62 9.808 0.268 7.982 1.00 0.00 S ATOM 973 CE MET A 62 11.175 1.319 8.469 1.00 0.00 C ATOM 0 H MET A 62 9.046 -0.947 4.403 1.00 0.00 H new ATOM 0 HA MET A 62 11.921 -1.167 4.411 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.756 0.743 5.986 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.850 1.018 4.512 1.00 0.00 H new ATOM 0 HG2 MET A 62 9.399 1.779 6.172 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.787 0.175 5.819 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.088 1.562 9.528 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.116 0.798 8.292 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.154 2.238 7.883 1.00 0.00 H new ATOM 983 N THR A 63 10.535 -3.003 6.422 1.00 0.00 N ATOM 984 CA THR A 63 10.638 -3.865 7.597 1.00 0.00 C ATOM 985 C THR A 63 11.897 -4.727 7.553 1.00 0.00 C ATOM 986 O THR A 63 12.716 -4.688 8.471 1.00 0.00 O ATOM 987 CB THR A 63 9.405 -4.782 7.740 1.00 0.00 C ATOM 988 OG1 THR A 63 8.264 -4.013 8.133 1.00 0.00 O ATOM 989 CG2 THR A 63 9.654 -5.878 8.768 1.00 0.00 C ATOM 0 H THR A 63 9.869 -3.324 5.719 1.00 0.00 H new ATOM 0 HA THR A 63 10.690 -3.202 8.460 1.00 0.00 H new ATOM 0 HB THR A 63 9.219 -5.247 6.772 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.338 -3.107 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.769 -6.509 8.848 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.505 -6.484 8.455 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.867 -5.426 9.737 1.00 0.00 H new ATOM 997 N LYS A 64 12.027 -5.536 6.506 1.00 0.00 N ATOM 998 CA LYS A 64 13.046 -6.575 6.472 1.00 0.00 C ATOM 999 C LYS A 64 14.370 -6.022 5.975 1.00 0.00 C ATOM 1000 O LYS A 64 15.166 -5.486 6.746 1.00 0.00 O ATOM 1001 CB LYS A 64 12.590 -7.737 5.587 1.00 0.00 C ATOM 1002 CG LYS A 64 11.219 -8.284 5.956 1.00 0.00 C ATOM 1003 CD LYS A 64 11.215 -8.918 7.339 1.00 0.00 C ATOM 1004 CE LYS A 64 12.086 -10.164 7.386 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.626 -11.201 6.423 1.00 0.00 N ATOM 0 H LYS A 64 11.440 -5.491 5.673 1.00 0.00 H new ATOM 0 HA LYS A 64 13.191 -6.942 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.572 -7.406 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.322 -8.542 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.486 -7.478 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.912 -9.024 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.573 -8.195 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.194 -9.177 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.118 -9.894 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.076 -10.576 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.057 -12.116 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.590 -11.283 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.909 -10.930 5.460 1.00 0.00 H new ATOM 1019 N ARG A 65 14.588 -6.159 4.680 1.00 0.00 N ATOM 1020 CA ARG A 65 15.823 -5.710 4.044 1.00 0.00 C ATOM 1021 C ARG A 65 15.672 -5.671 2.527 1.00 0.00 C ATOM 1022 O ARG A 65 16.652 -5.776 1.792 1.00 0.00 O ATOM 1023 CB ARG A 65 16.991 -6.625 4.424 1.00 0.00 C ATOM 1024 CG ARG A 65 17.742 -6.181 5.669 1.00 0.00 C ATOM 1025 CD ARG A 65 18.894 -7.118 5.992 1.00 0.00 C ATOM 1026 NE ARG A 65 18.433 -8.475 6.274 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.248 -9.487 6.557 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.561 -9.295 6.597 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.752 -10.691 6.803 1.00 0.00 N ATOM 0 H ARG A 65 13.919 -6.583 4.037 1.00 0.00 H new ATOM 0 HA ARG A 65 16.032 -4.701 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.612 -7.635 4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.689 -6.673 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.124 -5.171 5.523 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.055 -6.143 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.590 -7.139 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.442 -6.735 6.853 1.00 0.00 H new ATOM 0 HE ARG A 65 17.430 -8.657 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.947 -8.369 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.184 -10.073 6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.744 -10.843 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.379 -11.466 7.020 1.00 0.00 H new ATOM 1043 N LEU A 66 14.434 -5.534 2.069 1.00 0.00 N ATOM 1044 CA LEU A 66 14.139 -5.578 0.644 1.00 0.00 C ATOM 1045 C LEU A 66 14.236 -4.189 0.021 1.00 0.00 C ATOM 1046 O LEU A 66 14.104 -4.034 -1.192 1.00 0.00 O ATOM 1047 CB LEU A 66 12.742 -6.155 0.425 1.00 0.00 C ATOM 1048 CG LEU A 66 12.505 -7.516 1.085 1.00 0.00 C ATOM 1049 CD1 LEU A 66 11.029 -7.718 1.375 1.00 0.00 C ATOM 1050 CD2 LEU A 66 13.038 -8.636 0.205 1.00 0.00 C ATOM 0 H LEU A 66 13.618 -5.391 2.665 1.00 0.00 H new ATOM 0 HA LEU A 66 14.876 -6.218 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.007 -5.447 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.566 -6.250 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 66 13.045 -7.538 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.880 -8.691 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.680 -6.934 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.466 -7.675 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.861 -9.596 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.527 -8.616 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.108 -8.500 0.051 1.00 0.00 H new ATOM 1062 N TYR A 67 14.463 -3.182 0.859 1.00 0.00 N ATOM 1063 CA TYR A 67 14.532 -1.800 0.392 1.00 0.00 C ATOM 1064 C TYR A 67 15.978 -1.363 0.177 1.00 0.00 C ATOM 1065 O TYR A 67 16.913 -2.020 0.637 1.00 0.00 O ATOM 1066 CB TYR A 67 13.836 -0.867 1.386 1.00 0.00 C ATOM 1067 CG TYR A 67 14.442 -0.880 2.772 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.193 -1.925 3.654 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.260 0.157 3.200 1.00 0.00 C ATOM 1070 CE1 TYR A 67 14.743 -1.935 4.920 1.00 0.00 C ATOM 1071 CE2 TYR A 67 15.813 0.153 4.464 1.00 0.00 C ATOM 1072 CZ TYR A 67 15.552 -0.894 5.321 1.00 0.00 C ATOM 1073 OH TYR A 67 16.101 -0.900 6.582 1.00 0.00 O ATOM 0 H TYR A 67 14.602 -3.296 1.863 1.00 0.00 H new ATOM 0 HA TYR A 67 14.016 -1.742 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.868 0.151 0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.785 -1.148 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.559 -2.742 3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.467 0.980 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 67 14.540 -2.755 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.448 0.967 4.781 1.00 0.00 H new ATOM 0 HH TYR A 67 16.646 -0.095 6.705 1.00 0.00 H new ATOM 1083 N ASP A 68 16.151 -0.269 -0.561 1.00 0.00 N ATOM 1084 CA ASP A 68 17.468 0.142 -1.043 1.00 0.00 C ATOM 1085 C ASP A 68 18.380 0.547 0.111 1.00 0.00 C ATOM 1086 O ASP A 68 19.589 0.705 -0.068 1.00 0.00 O ATOM 1087 CB ASP A 68 17.323 1.302 -2.035 1.00 0.00 C ATOM 1088 CG ASP A 68 18.660 1.869 -2.474 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.610 1.081 -2.657 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.754 3.105 -2.637 1.00 0.00 O ATOM 0 H ASP A 68 15.391 0.352 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 68 17.925 -0.709 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.774 0.958 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.730 2.094 -1.577 1.00 0.00 H new ATOM 1095 N GLU A 69 17.793 0.705 1.296 1.00 0.00 N ATOM 1096 CA GLU A 69 18.554 1.017 2.505 1.00 0.00 C ATOM 1097 C GLU A 69 19.106 2.439 2.464 1.00 0.00 C ATOM 1098 O GLU A 69 19.596 2.954 3.469 1.00 0.00 O ATOM 1099 CB GLU A 69 19.698 0.019 2.695 1.00 0.00 C ATOM 1100 CG GLU A 69 19.260 -1.431 2.589 1.00 0.00 C ATOM 1101 CD GLU A 69 20.409 -2.403 2.766 1.00 0.00 C ATOM 1102 OE1 GLU A 69 21.048 -2.759 1.753 1.00 0.00 O ATOM 1103 OE2 GLU A 69 20.672 -2.809 3.917 1.00 0.00 O ATOM 0 H GLU A 69 16.787 0.622 1.445 1.00 0.00 H new ATOM 0 HA GLU A 69 17.871 0.940 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.467 0.214 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.154 0.182 3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.499 -1.633 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.796 -1.596 1.616 1.00 0.00 H new ATOM 1110 N LYS A 70 19.022 3.069 1.297 1.00 0.00 N ATOM 1111 CA LYS A 70 19.493 4.441 1.134 1.00 0.00 C ATOM 1112 C LYS A 70 18.366 5.435 1.389 1.00 0.00 C ATOM 1113 O LYS A 70 18.446 6.258 2.301 1.00 0.00 O ATOM 1114 CB LYS A 70 20.062 4.644 -0.271 1.00 0.00 C ATOM 1115 CG LYS A 70 21.261 3.760 -0.574 1.00 0.00 C ATOM 1116 CD LYS A 70 21.812 4.026 -1.965 1.00 0.00 C ATOM 1117 CE LYS A 70 23.021 3.153 -2.259 1.00 0.00 C ATOM 1118 NZ LYS A 70 24.128 3.391 -1.291 1.00 0.00 N ATOM 0 H LYS A 70 18.633 2.653 0.451 1.00 0.00 H new ATOM 0 HA LYS A 70 20.282 4.618 1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.280 4.445 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.351 5.688 -0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.041 3.936 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.972 2.712 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.036 3.838 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.090 5.076 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.728 2.104 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.375 3.352 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.008 2.980 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.255 4.414 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.895 2.945 -0.381 1.00 0.00 H new ATOM 1132 N GLN A 71 17.313 5.350 0.582 1.00 0.00 N ATOM 1133 CA GLN A 71 16.148 6.210 0.756 1.00 0.00 C ATOM 1134 C GLN A 71 14.914 5.387 1.101 1.00 0.00 C ATOM 1135 O GLN A 71 13.811 5.918 1.215 1.00 0.00 O ATOM 1136 CB GLN A 71 15.897 7.032 -0.509 1.00 0.00 C ATOM 1137 CG GLN A 71 17.061 7.934 -0.889 1.00 0.00 C ATOM 1138 CD GLN A 71 16.797 8.732 -2.153 1.00 0.00 C ATOM 1139 OE1 GLN A 71 15.533 9.068 -2.391 1.00 0.00 O flip ATOM 1140 NE2 GLN A 71 17.720 9.046 -2.905 1.00 0.00 N flip ATOM 0 H GLN A 71 17.243 4.696 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 71 16.350 6.891 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.688 6.355 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.006 7.643 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.266 8.620 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.955 7.327 -1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.676 8.767 -2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.529 9.585 -3.749 1.00 0.00 H new ATOM 1149 N GLN A 72 15.122 4.089 1.279 1.00 0.00 N ATOM 1150 CA GLN A 72 14.050 3.181 1.681 1.00 0.00 C ATOM 1151 C GLN A 72 12.867 3.252 0.718 1.00 0.00 C ATOM 1152 O GLN A 72 11.754 2.857 1.063 1.00 0.00 O ATOM 1153 CB GLN A 72 13.584 3.512 3.100 1.00 0.00 C ATOM 1154 CG GLN A 72 14.704 3.506 4.127 1.00 0.00 C ATOM 1155 CD GLN A 72 14.215 3.819 5.527 1.00 0.00 C ATOM 1156 OE1 GLN A 72 13.074 3.520 5.881 1.00 0.00 O ATOM 1157 NE2 GLN A 72 15.078 4.425 6.334 1.00 0.00 N ATOM 0 H GLN A 72 16.028 3.637 1.151 1.00 0.00 H new ATOM 0 HA GLN A 72 14.447 2.166 1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.110 4.494 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.823 2.792 3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.188 2.529 4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.460 4.237 3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.014 4.655 6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.805 4.661 7.288 1.00 0.00 H new ATOM 1166 N HIS A 73 13.109 3.761 -0.489 1.00 0.00 N ATOM 1167 CA HIS A 73 12.047 3.904 -1.480 1.00 0.00 C ATOM 1168 C HIS A 73 12.168 2.845 -2.572 1.00 0.00 C ATOM 1169 O HIS A 73 11.178 2.212 -2.941 1.00 0.00 O ATOM 1170 CB HIS A 73 12.076 5.301 -2.104 1.00 0.00 C ATOM 1171 CG HIS A 73 11.905 6.405 -1.110 1.00 0.00 C ATOM 1172 ND1 HIS A 73 11.046 6.325 -0.034 1.00 0.00 N ATOM 1173 CD2 HIS A 73 12.495 7.622 -1.028 1.00 0.00 C ATOM 1174 CE1 HIS A 73 11.113 7.446 0.665 1.00 0.00 C ATOM 1175 NE2 HIS A 73 11.985 8.248 0.082 1.00 0.00 N ATOM 0 H HIS A 73 14.026 4.079 -0.802 1.00 0.00 H new ATOM 0 HA HIS A 73 11.095 3.765 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.023 5.437 -2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.287 5.372 -2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.230 8.025 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.550 7.667 1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.239 9.182 0.404 1.00 0.00 H new ATOM 1184 N ILE A 74 13.380 2.655 -3.088 1.00 0.00 N ATOM 1185 CA ILE A 74 13.608 1.663 -4.133 1.00 0.00 C ATOM 1186 C ILE A 74 13.796 0.280 -3.523 1.00 0.00 C ATOM 1187 O ILE A 74 14.766 0.034 -2.807 1.00 0.00 O ATOM 1188 CB ILE A 74 14.841 2.003 -4.992 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.897 3.503 -5.289 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.814 1.207 -6.288 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.669 4.032 -6.000 1.00 0.00 C ATOM 0 H ILE A 74 14.212 3.171 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 74 12.727 1.671 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 74 15.736 1.732 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.024 4.045 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.776 3.710 -5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.690 1.456 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.821 0.141 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.911 1.453 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.783 5.102 -6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.551 3.518 -6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.788 3.858 -5.383 1.00 0.00 H new ATOM 1203 N VAL A 75 12.838 -0.604 -3.767 1.00 0.00 N ATOM 1204 CA VAL A 75 12.734 -1.840 -3.004 1.00 0.00 C ATOM 1205 C VAL A 75 13.183 -3.038 -3.823 1.00 0.00 C ATOM 1206 O VAL A 75 12.385 -3.651 -4.533 1.00 0.00 O ATOM 1207 CB VAL A 75 11.294 -2.077 -2.526 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.256 -3.140 -1.440 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.678 -0.777 -2.046 1.00 0.00 C ATOM 0 H VAL A 75 12.123 -0.489 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 75 13.390 -1.732 -2.140 1.00 0.00 H new ATOM 0 HB VAL A 75 10.703 -2.442 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.227 -3.292 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.655 -4.075 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.859 -2.816 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.657 -0.960 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.266 -0.379 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.667 -0.056 -2.863 1.00 0.00 H new ATOM 1219 N TYR A 76 14.460 -3.383 -3.696 1.00 0.00 N ATOM 1220 CA TYR A 76 14.992 -4.597 -4.300 1.00 0.00 C ATOM 1221 C TYR A 76 14.493 -5.829 -3.553 1.00 0.00 C ATOM 1222 O TYR A 76 15.059 -6.220 -2.532 1.00 0.00 O ATOM 1223 CB TYR A 76 16.521 -4.560 -4.293 1.00 0.00 C ATOM 1224 CG TYR A 76 17.091 -3.185 -4.567 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.562 -2.377 -5.566 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.158 -2.695 -3.823 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.082 -1.121 -5.816 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.680 -1.441 -4.066 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.140 -0.657 -5.064 1.00 0.00 C ATOM 1230 OH TYR A 76 18.658 0.592 -5.310 1.00 0.00 O ATOM 0 H TYR A 76 15.147 -2.836 -3.178 1.00 0.00 H new ATOM 0 HA TYR A 76 14.644 -4.653 -5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.881 -4.908 -3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.897 -5.257 -5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.732 -2.736 -6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.586 -3.306 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.661 -0.506 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.508 -1.075 -3.477 1.00 0.00 H new ATOM 0 HH TYR A 76 19.388 0.773 -4.681 1.00 0.00 H new ATOM 1240 N CYS A 77 13.411 -6.419 -4.051 1.00 0.00 N ATOM 1241 CA CYS A 77 12.719 -7.480 -3.329 1.00 0.00 C ATOM 1242 C CYS A 77 13.396 -8.831 -3.551 1.00 0.00 C ATOM 1243 O CYS A 77 14.267 -9.230 -2.779 1.00 0.00 O ATOM 1244 CB CYS A 77 11.252 -7.549 -3.758 1.00 0.00 C ATOM 1245 SG CYS A 77 10.341 -6.005 -3.528 1.00 0.00 S ATOM 0 H CYS A 77 12.995 -6.180 -4.951 1.00 0.00 H new ATOM 0 HA CYS A 77 12.766 -7.247 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 77 11.205 -7.832 -4.809 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.756 -8.338 -3.193 1.00 0.00 H new ATOM 0 HG CYS A 77 11.082 -5.004 -3.902 1.00 0.00 H new ATOM 1251 N SER A 78 12.984 -9.531 -4.607 1.00 0.00 N ATOM 1252 CA SER A 78 13.508 -10.859 -4.906 1.00 0.00 C ATOM 1253 C SER A 78 13.297 -11.818 -3.735 1.00 0.00 C ATOM 1254 O SER A 78 14.002 -11.748 -2.728 1.00 0.00 O ATOM 1255 CB SER A 78 14.994 -10.773 -5.254 1.00 0.00 C ATOM 1256 OG SER A 78 15.501 -12.035 -5.650 1.00 0.00 O ATOM 0 H SER A 78 12.286 -9.197 -5.271 1.00 0.00 H new ATOM 0 HA SER A 78 12.960 -11.250 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.141 -10.051 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.552 -10.408 -4.391 1.00 0.00 H new ATOM 0 HG SER A 78 14.979 -12.746 -5.223 1.00 0.00 H new ATOM 1262 N ASN A 79 12.332 -12.724 -3.885 1.00 0.00 N ATOM 1263 CA ASN A 79 12.078 -13.760 -2.887 1.00 0.00 C ATOM 1264 C ASN A 79 11.557 -13.154 -1.588 1.00 0.00 C ATOM 1265 O ASN A 79 12.293 -13.024 -0.610 1.00 0.00 O ATOM 1266 CB ASN A 79 13.349 -14.572 -2.616 1.00 0.00 C ATOM 1267 CG ASN A 79 13.866 -15.267 -3.859 1.00 0.00 C ATOM 1268 OD1 ASN A 79 14.734 -14.589 -4.602 1.00 0.00 O flip ATOM 1269 ND2 ASN A 79 13.490 -16.404 -4.150 1.00 0.00 N flip ATOM 0 H ASN A 79 11.711 -12.761 -4.693 1.00 0.00 H new ATOM 0 HA ASN A 79 11.313 -14.426 -3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.122 -13.911 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.145 -15.316 -1.846 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.822 -16.889 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.847 -16.860 -4.990 1.00 0.00 H new ATOM 1276 N ASP A 80 10.278 -12.791 -1.588 1.00 0.00 N ATOM 1277 CA ASP A 80 9.637 -12.229 -0.404 1.00 0.00 C ATOM 1278 C ASP A 80 8.122 -12.172 -0.577 1.00 0.00 C ATOM 1279 O ASP A 80 7.600 -12.413 -1.668 1.00 0.00 O ATOM 1280 CB ASP A 80 10.187 -10.832 -0.119 1.00 0.00 C ATOM 1281 CG ASP A 80 10.308 -9.994 -1.375 1.00 0.00 C ATOM 1282 OD1 ASP A 80 11.348 -10.096 -2.057 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.364 -9.236 -1.677 1.00 0.00 O ATOM 0 H ASP A 80 9.663 -12.876 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 80 9.859 -12.878 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.534 -10.325 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.166 -10.919 0.353 1.00 0.00 H new ATOM 1288 N LEU A 81 7.416 -11.846 0.502 1.00 0.00 N ATOM 1289 CA LEU A 81 5.965 -11.701 0.444 1.00 0.00 C ATOM 1290 C LEU A 81 5.577 -10.569 -0.499 1.00 0.00 C ATOM 1291 O LEU A 81 4.649 -10.702 -1.299 1.00 0.00 O ATOM 1292 CB LEU A 81 5.399 -11.444 1.842 1.00 0.00 C ATOM 1293 CG LEU A 81 5.626 -12.573 2.850 1.00 0.00 C ATOM 1294 CD1 LEU A 81 5.145 -12.159 4.233 1.00 0.00 C ATOM 1295 CD2 LEU A 81 4.919 -13.842 2.397 1.00 0.00 C ATOM 0 H LEU A 81 7.822 -11.678 1.422 1.00 0.00 H new ATOM 0 HA LEU A 81 5.542 -12.630 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.845 -10.531 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.327 -11.264 1.756 1.00 0.00 H new ATOM 0 HG LEU A 81 6.696 -12.775 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.314 -12.974 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.695 -11.277 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.080 -11.929 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.091 -14.634 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.849 -13.652 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.310 -14.150 1.427 1.00 0.00 H new ATOM 1307 N LEU A 82 6.321 -9.468 -0.429 1.00 0.00 N ATOM 1308 CA LEU A 82 6.191 -8.401 -1.413 1.00 0.00 C ATOM 1309 C LEU A 82 6.387 -8.947 -2.823 1.00 0.00 C ATOM 1310 O LEU A 82 5.881 -8.384 -3.795 1.00 0.00 O ATOM 1311 CB LEU A 82 7.206 -7.292 -1.137 1.00 0.00 C ATOM 1312 CG LEU A 82 6.654 -6.091 -0.371 1.00 0.00 C ATOM 1313 CD1 LEU A 82 7.773 -5.123 -0.017 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.580 -5.393 -1.193 1.00 0.00 C ATOM 0 H LEU A 82 7.017 -9.293 0.296 1.00 0.00 H new ATOM 0 HA LEU A 82 5.186 -7.985 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.038 -7.713 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.609 -6.944 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 82 6.205 -6.445 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.361 -4.274 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.510 -5.631 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.251 -4.770 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.194 -4.539 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.008 -5.050 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.767 -6.090 -1.397 1.00 0.00 H new ATOM 1326 N GLY A 83 7.111 -10.058 -2.922 1.00 0.00 N ATOM 1327 CA GLY A 83 7.264 -10.736 -4.194 1.00 0.00 C ATOM 1328 C GLY A 83 5.966 -11.352 -4.676 1.00 0.00 C ATOM 1329 O GLY A 83 5.639 -11.275 -5.861 1.00 0.00 O ATOM 0 H GLY A 83 7.595 -10.501 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.627 -10.028 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.020 -11.515 -4.100 1.00 0.00 H new ATOM 1333 N ASP A 84 5.210 -11.940 -3.751 1.00 0.00 N ATOM 1334 CA ASP A 84 3.870 -12.428 -4.065 1.00 0.00 C ATOM 1335 C ASP A 84 3.008 -11.302 -4.623 1.00 0.00 C ATOM 1336 O ASP A 84 2.043 -11.545 -5.348 1.00 0.00 O ATOM 1337 CB ASP A 84 3.204 -13.027 -2.821 1.00 0.00 C ATOM 1338 CG ASP A 84 4.008 -14.165 -2.226 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.872 -13.898 -1.367 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.772 -15.328 -2.620 1.00 0.00 O ATOM 0 H ASP A 84 5.500 -12.089 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 84 3.964 -13.208 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.074 -12.247 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.209 -13.387 -3.083 1.00 0.00 H new ATOM 1345 N LEU A 85 3.371 -10.067 -4.289 1.00 0.00 N ATOM 1346 CA LEU A 85 2.677 -8.899 -4.816 1.00 0.00 C ATOM 1347 C LEU A 85 3.104 -8.598 -6.245 1.00 0.00 C ATOM 1348 O LEU A 85 2.424 -8.971 -7.200 1.00 0.00 O ATOM 1349 CB LEU A 85 2.935 -7.675 -3.938 1.00 0.00 C ATOM 1350 CG LEU A 85 2.365 -7.769 -2.527 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.458 -6.425 -1.827 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.924 -8.249 -2.575 1.00 0.00 C ATOM 0 H LEU A 85 4.141 -9.851 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 85 1.611 -9.126 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.011 -7.514 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.512 -6.798 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 85 2.952 -8.491 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.047 -6.509 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.502 -6.117 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.892 -5.682 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.528 -8.312 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.326 -7.547 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.884 -9.233 -3.042 1.00 0.00 H new ATOM 1364 N PHE A 86 4.214 -7.885 -6.378 1.00 0.00 N ATOM 1365 CA PHE A 86 4.602 -7.315 -7.659 1.00 0.00 C ATOM 1366 C PHE A 86 5.376 -8.324 -8.501 1.00 0.00 C ATOM 1367 O PHE A 86 5.035 -8.575 -9.656 1.00 0.00 O ATOM 1368 CB PHE A 86 5.457 -6.061 -7.450 1.00 0.00 C ATOM 1369 CG PHE A 86 4.848 -5.064 -6.509 1.00 0.00 C ATOM 1370 CD1 PHE A 86 4.948 -5.240 -5.138 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.176 -3.952 -6.991 1.00 0.00 C ATOM 1372 CE1 PHE A 86 4.390 -4.327 -4.267 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.616 -3.034 -6.123 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.724 -3.224 -4.760 1.00 0.00 C ATOM 0 H PHE A 86 4.861 -7.688 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 86 3.689 -7.047 -8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.434 -6.358 -7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.624 -5.582 -8.414 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.469 -6.102 -4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.089 -3.801 -8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.474 -4.476 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.095 -2.170 -6.510 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.287 -2.509 -4.079 1.00 0.00 H new ATOM 1384 N GLY A 87 6.442 -8.869 -7.924 1.00 0.00 N ATOM 1385 CA GLY A 87 7.381 -9.659 -8.696 1.00 0.00 C ATOM 1386 C GLY A 87 8.516 -8.816 -9.241 1.00 0.00 C ATOM 1387 O GLY A 87 9.442 -9.335 -9.867 1.00 0.00 O ATOM 0 H GLY A 87 6.672 -8.777 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.787 -10.454 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.857 -10.140 -9.522 1.00 0.00 H new ATOM 1391 N VAL A 88 8.442 -7.510 -9.002 1.00 0.00 N ATOM 1392 CA VAL A 88 9.458 -6.579 -9.475 1.00 0.00 C ATOM 1393 C VAL A 88 10.832 -6.928 -8.913 1.00 0.00 C ATOM 1394 O VAL A 88 10.938 -7.542 -7.851 1.00 0.00 O ATOM 1395 CB VAL A 88 9.124 -5.129 -9.072 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.787 -4.703 -9.654 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.122 -4.983 -7.558 1.00 0.00 C ATOM 0 H VAL A 88 7.683 -7.072 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 88 9.473 -6.662 -10.562 1.00 0.00 H new ATOM 0 HB VAL A 88 9.895 -4.475 -9.479 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.571 -3.677 -9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.827 -4.765 -10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.002 -5.361 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.884 -3.953 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.374 -5.650 -7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.106 -5.241 -7.166 1.00 0.00 H new ATOM 1407 N PRO A 89 11.904 -6.482 -9.590 1.00 0.00 N ATOM 1408 CA PRO A 89 13.235 -6.412 -8.989 1.00 0.00 C ATOM 1409 C PRO A 89 13.338 -5.273 -7.980 1.00 0.00 C ATOM 1410 O PRO A 89 13.988 -5.404 -6.945 1.00 0.00 O ATOM 1411 CB PRO A 89 14.148 -6.155 -10.186 1.00 0.00 C ATOM 1412 CG PRO A 89 13.289 -5.430 -11.163 1.00 0.00 C ATOM 1413 CD PRO A 89 11.892 -5.963 -10.972 1.00 0.00 C ATOM 0 HA PRO A 89 13.490 -7.315 -8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.016 -5.559 -9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.525 -7.088 -10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.323 -4.355 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.633 -5.598 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.144 -5.181 -11.100 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.660 -6.747 -11.693 1.00 0.00 H new ATOM 1421 N SER A 90 12.673 -4.161 -8.289 1.00 0.00 N ATOM 1422 CA SER A 90 12.624 -3.014 -7.388 1.00 0.00 C ATOM 1423 C SER A 90 11.340 -2.218 -7.603 1.00 0.00 C ATOM 1424 O SER A 90 10.878 -2.076 -8.735 1.00 0.00 O ATOM 1425 CB SER A 90 13.836 -2.110 -7.613 1.00 0.00 C ATOM 1426 OG SER A 90 13.929 -1.706 -8.968 1.00 0.00 O ATOM 0 H SER A 90 12.159 -4.031 -9.161 1.00 0.00 H new ATOM 0 HA SER A 90 12.641 -3.384 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.761 -1.231 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.745 -2.638 -7.325 1.00 0.00 H new ATOM 0 HG SER A 90 14.712 -1.128 -9.084 1.00 0.00 H new ATOM 1432 N PHE A 91 10.777 -1.675 -6.524 1.00 0.00 N ATOM 1433 CA PHE A 91 9.641 -0.765 -6.653 1.00 0.00 C ATOM 1434 C PHE A 91 9.816 0.470 -5.780 1.00 0.00 C ATOM 1435 O PHE A 91 10.429 0.410 -4.716 1.00 0.00 O ATOM 1436 CB PHE A 91 8.321 -1.476 -6.324 1.00 0.00 C ATOM 1437 CG PHE A 91 8.093 -1.761 -4.862 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.523 -0.807 -4.032 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.421 -2.996 -4.325 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.288 -1.075 -2.699 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.192 -3.269 -2.988 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.623 -2.308 -2.176 1.00 0.00 C ATOM 0 H PHE A 91 11.083 -1.846 -5.566 1.00 0.00 H new ATOM 0 HA PHE A 91 9.603 -0.439 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.496 -0.865 -6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.288 -2.418 -6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.259 0.160 -4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.860 -3.754 -4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.843 -0.322 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.458 -4.233 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.440 -2.521 -1.133 1.00 0.00 H new ATOM 1452 N SER A 92 9.281 1.595 -6.244 1.00 0.00 N ATOM 1453 CA SER A 92 9.420 2.859 -5.534 1.00 0.00 C ATOM 1454 C SER A 92 8.160 3.181 -4.738 1.00 0.00 C ATOM 1455 O SER A 92 7.147 3.599 -5.299 1.00 0.00 O ATOM 1456 CB SER A 92 9.718 3.994 -6.517 1.00 0.00 C ATOM 1457 OG SER A 92 9.769 5.246 -5.853 1.00 0.00 O ATOM 0 H SER A 92 8.746 1.656 -7.111 1.00 0.00 H new ATOM 0 HA SER A 92 10.253 2.762 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.668 3.806 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.950 4.020 -7.290 1.00 0.00 H new ATOM 0 HG SER A 92 9.962 5.953 -6.503 1.00 0.00 H new ATOM 1463 N VAL A 93 8.234 2.989 -3.426 1.00 0.00 N ATOM 1464 CA VAL A 93 7.123 3.313 -2.541 1.00 0.00 C ATOM 1465 C VAL A 93 6.853 4.814 -2.532 1.00 0.00 C ATOM 1466 O VAL A 93 5.748 5.256 -2.216 1.00 0.00 O ATOM 1467 CB VAL A 93 7.403 2.836 -1.102 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.631 3.536 -0.540 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.191 3.068 -0.211 1.00 0.00 C ATOM 0 H VAL A 93 9.054 2.610 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 93 6.243 2.794 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 93 7.601 1.764 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.815 3.188 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.496 3.309 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.463 4.613 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.411 2.724 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.954 4.132 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.339 2.515 -0.605 1.00 0.00 H new ATOM 1479 N LYS A 94 7.869 5.594 -2.890 1.00 0.00 N ATOM 1480 CA LYS A 94 7.737 7.045 -2.966 1.00 0.00 C ATOM 1481 C LYS A 94 6.557 7.438 -3.851 1.00 0.00 C ATOM 1482 O LYS A 94 5.672 8.182 -3.426 1.00 0.00 O ATOM 1483 CB LYS A 94 9.029 7.665 -3.504 1.00 0.00 C ATOM 1484 CG LYS A 94 8.936 9.164 -3.756 1.00 0.00 C ATOM 1485 CD LYS A 94 8.606 9.933 -2.485 1.00 0.00 C ATOM 1486 CE LYS A 94 9.731 9.847 -1.466 1.00 0.00 C ATOM 1487 NZ LYS A 94 9.414 10.602 -0.223 1.00 0.00 N ATOM 0 H LYS A 94 8.796 5.244 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 94 7.552 7.425 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.834 7.475 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.300 7.166 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.881 9.523 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.171 9.359 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.417 10.978 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.689 9.538 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.917 8.802 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.649 10.239 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.206 10.518 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.261 11.604 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.553 10.212 0.210 1.00 0.00 H new ATOM 1501 N GLU A 95 6.543 6.919 -5.073 1.00 0.00 N ATOM 1502 CA GLU A 95 5.423 7.135 -5.981 1.00 0.00 C ATOM 1503 C GLU A 95 4.251 6.225 -5.620 1.00 0.00 C ATOM 1504 O GLU A 95 4.005 5.216 -6.280 1.00 0.00 O ATOM 1505 CB GLU A 95 5.856 6.896 -7.430 1.00 0.00 C ATOM 1506 CG GLU A 95 6.601 5.586 -7.639 1.00 0.00 C ATOM 1507 CD GLU A 95 7.053 5.394 -9.074 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.175 5.829 -9.407 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.284 4.806 -9.863 1.00 0.00 O ATOM 0 H GLU A 95 7.294 6.346 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 95 5.097 8.170 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.974 6.908 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.493 7.721 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.470 5.558 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.956 4.756 -7.351 1.00 0.00 H new ATOM 1516 N HIS A 96 3.540 6.586 -4.556 1.00 0.00 N ATOM 1517 CA HIS A 96 2.449 5.761 -4.045 1.00 0.00 C ATOM 1518 C HIS A 96 1.339 5.613 -5.078 1.00 0.00 C ATOM 1519 O HIS A 96 0.498 4.720 -4.976 1.00 0.00 O ATOM 1520 CB HIS A 96 1.889 6.358 -2.756 1.00 0.00 C ATOM 1521 CG HIS A 96 2.025 5.456 -1.569 1.00 0.00 C ATOM 1522 ND1 HIS A 96 3.029 5.588 -0.634 1.00 0.00 N ATOM 1523 CD2 HIS A 96 1.275 4.403 -1.166 1.00 0.00 C ATOM 1524 CE1 HIS A 96 2.892 4.656 0.292 1.00 0.00 C ATOM 1525 NE2 HIS A 96 1.835 3.924 -0.006 1.00 0.00 N ATOM 0 H HIS A 96 3.700 7.445 -4.030 1.00 0.00 H new ATOM 0 HA HIS A 96 2.851 4.770 -3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.401 7.298 -2.548 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.835 6.595 -2.903 1.00 0.00 H new ATOM 0 HD1 HIS A 96 3.764 6.295 -0.654 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.400 4.012 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.536 4.517 1.148 1.00 0.00 H new ATOM 1534 N ARG A 97 1.349 6.484 -6.082 1.00 0.00 N ATOM 1535 CA ARG A 97 0.390 6.396 -7.175 1.00 0.00 C ATOM 1536 C ARG A 97 0.586 5.103 -7.961 1.00 0.00 C ATOM 1537 O ARG A 97 -0.290 4.239 -7.982 1.00 0.00 O ATOM 1538 CB ARG A 97 0.533 7.602 -8.106 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.402 7.566 -9.306 1.00 0.00 C ATOM 1540 CD ARG A 97 -1.863 7.591 -8.884 1.00 0.00 C ATOM 1541 NE ARG A 97 -2.196 8.799 -8.134 1.00 0.00 N ATOM 1542 CZ ARG A 97 -3.439 9.148 -7.815 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -4.460 8.385 -8.179 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -3.660 10.262 -7.130 1.00 0.00 N ATOM 0 H ARG A 97 2.010 7.257 -6.160 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.614 6.395 -6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.344 8.513 -7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.562 7.655 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.196 8.419 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.208 6.667 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.497 7.527 -9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.079 6.714 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.433 9.409 -7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.294 7.527 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.412 8.656 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.877 10.851 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.613 10.530 -6.885 1.00 0.00 H new ATOM 1558 N LYS A 98 1.738 4.985 -8.611 1.00 0.00 N ATOM 1559 CA LYS A 98 2.019 3.839 -9.467 1.00 0.00 C ATOM 1560 C LYS A 98 2.193 2.566 -8.646 1.00 0.00 C ATOM 1561 O LYS A 98 1.919 1.466 -9.124 1.00 0.00 O ATOM 1562 CB LYS A 98 3.276 4.096 -10.302 1.00 0.00 C ATOM 1563 CG LYS A 98 3.619 2.966 -11.261 1.00 0.00 C ATOM 1564 CD LYS A 98 2.549 2.788 -12.329 1.00 0.00 C ATOM 1565 CE LYS A 98 2.475 3.994 -13.252 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.442 3.821 -14.310 1.00 0.00 N ATOM 0 H LYS A 98 2.493 5.669 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 98 1.167 3.702 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.140 5.015 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.119 4.259 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.578 3.172 -11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.733 2.037 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.763 1.894 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.581 2.633 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.250 4.886 -12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.447 4.155 -13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.423 4.665 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.670 2.985 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.510 3.693 -13.867 1.00 0.00 H new ATOM 1580 N ILE A 99 2.662 2.719 -7.413 1.00 0.00 N ATOM 1581 CA ILE A 99 2.975 1.572 -6.569 1.00 0.00 C ATOM 1582 C ILE A 99 1.699 0.918 -6.041 1.00 0.00 C ATOM 1583 O ILE A 99 1.652 -0.295 -5.831 1.00 0.00 O ATOM 1584 CB ILE A 99 3.905 1.969 -5.394 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.777 0.780 -4.981 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.112 2.485 -4.204 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.119 -0.148 -3.983 1.00 0.00 C ATOM 0 H ILE A 99 2.834 3.625 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 99 3.505 0.848 -7.187 1.00 0.00 H new ATOM 0 HB ILE A 99 4.549 2.778 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.042 0.210 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.707 1.155 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.797 2.754 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.539 3.363 -4.502 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.431 1.708 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.800 -0.964 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.879 0.405 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.204 -0.555 -4.413 1.00 0.00 H new ATOM 1599 N TYR A 100 0.658 1.723 -5.860 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.636 1.204 -5.436 1.00 0.00 C ATOM 1601 C TYR A 100 -1.583 1.028 -6.617 1.00 0.00 C ATOM 1602 O TYR A 100 -2.689 0.512 -6.464 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.257 2.120 -4.382 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.808 1.780 -2.983 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.376 1.085 -2.775 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.564 2.136 -1.875 1.00 0.00 C ATOM 1607 CE1 TYR A 100 0.795 0.754 -1.507 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -1.148 1.810 -0.597 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.033 1.118 -0.419 1.00 0.00 C ATOM 1610 OH TYR A 100 0.450 0.787 0.848 1.00 0.00 O ATOM 0 H TYR A 100 0.685 2.733 -6.000 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.472 0.220 -4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.993 3.154 -4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.343 2.049 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.979 0.799 -3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.490 2.675 -2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.718 0.211 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.744 2.095 0.257 1.00 0.00 H new ATOM 0 HH TYR A 100 0.816 1.581 1.290 1.00 0.00 H new ATOM 1620 N THR A 101 -1.127 1.413 -7.803 1.00 0.00 N ATOM 1621 CA THR A 101 -1.822 1.049 -9.032 1.00 0.00 C ATOM 1622 C THR A 101 -1.490 -0.384 -9.427 1.00 0.00 C ATOM 1623 O THR A 101 -2.323 -1.093 -9.993 1.00 0.00 O ATOM 1624 CB THR A 101 -1.458 1.996 -10.193 1.00 0.00 C ATOM 1625 OG1 THR A 101 -1.831 3.340 -9.865 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.154 1.575 -11.480 1.00 0.00 C ATOM 0 H THR A 101 -0.285 1.973 -7.940 1.00 0.00 H new ATOM 0 HA THR A 101 -2.891 1.137 -8.837 1.00 0.00 H new ATOM 0 HB THR A 101 -0.380 1.943 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.061 3.808 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.880 2.260 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.847 0.563 -11.745 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.234 1.600 -11.335 1.00 0.00 H new ATOM 1634 N MET A 102 -0.279 -0.816 -9.089 1.00 0.00 N ATOM 1635 CA MET A 102 0.098 -2.216 -9.224 1.00 0.00 C ATOM 1636 C MET A 102 -0.491 -3.034 -8.085 1.00 0.00 C ATOM 1637 O MET A 102 -0.912 -4.174 -8.278 1.00 0.00 O ATOM 1638 CB MET A 102 1.619 -2.361 -9.231 1.00 0.00 C ATOM 1639 CG MET A 102 2.307 -1.397 -10.177 1.00 0.00 C ATOM 1640 SD MET A 102 4.105 -1.534 -10.135 1.00 0.00 S ATOM 1641 CE MET A 102 4.462 -0.809 -8.538 1.00 0.00 C ATOM 0 H MET A 102 0.458 -0.215 -8.719 1.00 0.00 H new ATOM 0 HA MET A 102 -0.297 -2.587 -10.170 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.997 -2.201 -8.221 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.879 -3.382 -9.511 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.957 -1.581 -11.193 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.019 -0.377 -9.921 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.264 -1.368 -8.056 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.771 0.228 -8.670 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.569 -0.845 -7.914 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.528 -2.437 -6.897 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.116 -3.092 -5.739 1.00 0.00 C ATOM 1653 C ILE A 103 -2.557 -3.516 -6.018 1.00 0.00 C ATOM 1654 O ILE A 103 -2.902 -4.691 -5.892 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.081 -2.182 -4.490 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.316 -2.196 -3.863 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -2.127 -2.616 -3.471 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.730 -3.552 -3.330 1.00 0.00 C ATOM 0 H ILE A 103 -0.158 -1.504 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.515 -3.979 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.315 -1.164 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.042 -1.871 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.347 -1.471 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.082 -1.960 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.119 -2.557 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.930 -3.642 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.730 -3.485 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.026 -3.871 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.732 -4.277 -4.143 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.395 -2.551 -6.390 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.805 -2.824 -6.646 1.00 0.00 C ATOM 1672 C TYR A 104 -5.033 -3.163 -8.116 1.00 0.00 C ATOM 1673 O TYR A 104 -5.102 -2.274 -8.965 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.664 -1.621 -6.250 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.570 -1.259 -4.785 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -6.396 -1.860 -3.843 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.653 -0.312 -4.344 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -6.312 -1.528 -2.504 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.563 0.025 -3.007 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.394 -0.586 -2.091 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.308 -0.253 -0.760 1.00 0.00 O ATOM 0 H TYR A 104 -3.122 -1.577 -6.520 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.097 -3.682 -6.041 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.364 -0.760 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.705 -1.833 -6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.116 -2.599 -4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.000 0.168 -5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.962 -2.004 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.845 0.763 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.611 0.425 -0.637 1.00 0.00 H new