USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=28 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 78 SER OG : rot 75:sc= 0.527 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.327 K(o=0.2,f=-0.93) USER MOD Single : A 26 THR OG1 : rot 30:sc= 0.0944 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.0407 (180deg=-0.289) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc=-0.00745 (180deg=-0.134) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.404 USER MOD Single : A 48 TYR OH : rot 42:sc= -8.27! USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 50 MET CE :methyl -157:sc= -0.0189 (180deg=-0.871) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.525 USER MOD Single : A 59 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.29) USER MOD Single : A 60 TYR OH : rot 165:sc= -1.29 USER MOD Single : A 62 MET CE :methyl 159:sc= -0.135 (180deg=-0.712) USER MOD Single : A 63 THR OG1 : rot 92:sc= 1.31 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0489 (180deg=-0.29) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= -0.0366 (180deg=-0.315) USER MOD Single : A 71 GLN : amide:sc= -0.0949 X(o=-0.095,f=-0.44) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-3) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 31:sc= 0.312 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 0.8 (180deg=0.0912) USER MOD Single : A 96 HIS :FLIP no HD1:sc= 0.0724 F(o=-1.6,f=0.072) USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= -2.35! (180deg=-4.61!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 102 MET CE :methyl -106:sc= -6.52! (180deg=-13.1!) USER MOD Single : A 104 TYR OH : rot 84:sc= -2.05 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -12.459 1.917 1.082 1.00 0.00 N ATOM 348 CA THR A 26 -12.871 0.549 0.789 1.00 0.00 C ATOM 349 C THR A 26 -12.493 -0.393 1.922 1.00 0.00 C ATOM 350 O THR A 26 -11.441 -0.243 2.543 1.00 0.00 O ATOM 351 CB THR A 26 -12.245 0.034 -0.523 1.00 0.00 C ATOM 352 OG1 THR A 26 -12.561 0.927 -1.598 1.00 0.00 O ATOM 353 CG2 THR A 26 -12.750 -1.361 -0.855 1.00 0.00 C ATOM 0 HA THR A 26 -13.955 0.567 0.679 1.00 0.00 H new ATOM 0 HB THR A 26 -11.164 -0.011 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.666 1.836 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.294 -1.701 -1.785 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.485 -2.045 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.834 -1.338 -0.970 1.00 0.00 H new ATOM 361 N LEU A 27 -13.328 -1.405 2.146 1.00 0.00 N ATOM 362 CA LEU A 27 -12.905 -2.568 2.895 1.00 0.00 C ATOM 363 C LEU A 27 -12.147 -3.489 1.974 1.00 0.00 C ATOM 364 O LEU A 27 -12.535 -4.632 1.735 1.00 0.00 O ATOM 365 CB LEU A 27 -14.098 -3.274 3.530 1.00 0.00 C ATOM 366 CG LEU A 27 -14.329 -2.887 4.987 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.125 -3.288 5.821 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.570 -1.390 5.101 1.00 0.00 C ATOM 0 H LEU A 27 -14.294 -1.436 1.819 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.251 -2.259 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.995 -3.044 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.947 -4.352 3.468 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.210 -3.410 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.294 -3.010 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.978 -4.366 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.238 -2.777 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.734 -1.126 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.701 -0.852 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.449 -1.117 4.516 1.00 0.00 H new ATOM 380 N VAL A 28 -11.088 -2.935 1.417 1.00 0.00 N ATOM 381 CA VAL A 28 -10.388 -3.544 0.307 1.00 0.00 C ATOM 382 C VAL A 28 -9.769 -4.852 0.734 1.00 0.00 C ATOM 383 O VAL A 28 -9.279 -4.986 1.856 1.00 0.00 O ATOM 384 CB VAL A 28 -9.293 -2.612 -0.239 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.817 -1.696 0.865 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.130 -3.409 -0.810 1.00 0.00 C ATOM 0 H VAL A 28 -10.689 -2.048 1.723 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.115 -3.726 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.712 -2.015 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.041 -1.035 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.654 -1.100 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.413 -2.292 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.371 -2.724 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.698 -4.033 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.487 -4.041 -1.623 1.00 0.00 H new ATOM 396 N ARG A 29 -9.808 -5.818 -0.154 1.00 0.00 N ATOM 397 CA ARG A 29 -9.338 -7.143 0.169 1.00 0.00 C ATOM 398 C ARG A 29 -8.476 -7.686 -0.968 1.00 0.00 C ATOM 399 O ARG A 29 -8.957 -8.443 -1.809 1.00 0.00 O ATOM 400 CB ARG A 29 -10.530 -8.065 0.429 1.00 0.00 C ATOM 401 CG ARG A 29 -11.652 -7.402 1.220 1.00 0.00 C ATOM 402 CD ARG A 29 -12.900 -8.272 1.246 1.00 0.00 C ATOM 403 NE ARG A 29 -12.635 -9.593 1.809 1.00 0.00 N ATOM 404 CZ ARG A 29 -13.576 -10.512 2.006 1.00 0.00 C ATOM 405 NH1 ARG A 29 -14.837 -10.255 1.690 1.00 0.00 N ATOM 406 NH2 ARG A 29 -13.254 -11.691 2.522 1.00 0.00 N ATOM 0 H ARG A 29 -10.160 -5.710 -1.105 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.727 -7.098 1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.925 -8.412 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.186 -8.946 0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.317 -7.212 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.890 -6.435 0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.675 -7.777 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.287 -8.381 0.233 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.675 -9.824 2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.089 -9.349 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.555 -10.963 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.285 -11.893 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.976 -12.396 2.673 1.00 0.00 H new ATOM 420 N PRO A 30 -7.207 -7.244 -1.043 1.00 0.00 N ATOM 421 CA PRO A 30 -6.384 -7.378 -2.249 1.00 0.00 C ATOM 422 C PRO A 30 -5.885 -8.803 -2.459 1.00 0.00 C ATOM 423 O PRO A 30 -4.683 -9.063 -2.394 1.00 0.00 O ATOM 424 CB PRO A 30 -5.197 -6.432 -1.994 1.00 0.00 C ATOM 425 CG PRO A 30 -5.538 -5.669 -0.755 1.00 0.00 C ATOM 426 CD PRO A 30 -6.486 -6.535 0.021 1.00 0.00 C ATOM 0 HA PRO A 30 -6.952 -7.136 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.272 -6.993 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.046 -5.759 -2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.643 -5.452 -0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.998 -4.712 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.959 -7.223 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.158 -5.945 0.644 1.00 0.00 H new ATOM 434 N LYS A 31 -6.816 -9.724 -2.699 1.00 0.00 N ATOM 435 CA LYS A 31 -6.484 -11.141 -2.815 1.00 0.00 C ATOM 436 C LYS A 31 -5.808 -11.646 -1.542 1.00 0.00 C ATOM 437 O LYS A 31 -5.315 -10.858 -0.736 1.00 0.00 O ATOM 438 CB LYS A 31 -5.573 -11.372 -4.025 1.00 0.00 C ATOM 439 CG LYS A 31 -6.204 -10.967 -5.348 1.00 0.00 C ATOM 440 CD LYS A 31 -5.273 -11.240 -6.519 1.00 0.00 C ATOM 441 CE LYS A 31 -5.020 -12.729 -6.702 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.113 -13.003 -7.849 1.00 0.00 N ATOM 0 H LYS A 31 -7.807 -9.513 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.409 -11.700 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.649 -10.811 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.302 -12.427 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.137 -11.513 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.456 -9.907 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.706 -10.830 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.325 -10.727 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.585 -13.138 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.969 -13.241 -6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.967 -14.029 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.539 -12.636 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.198 -12.536 -7.687 1.00 0.00 H new ATOM 456 N PRO A 32 -5.757 -12.975 -1.349 1.00 0.00 N ATOM 457 CA PRO A 32 -4.986 -13.578 -0.264 1.00 0.00 C ATOM 458 C PRO A 32 -3.489 -13.570 -0.553 1.00 0.00 C ATOM 459 O PRO A 32 -2.825 -14.604 -0.463 1.00 0.00 O ATOM 460 CB PRO A 32 -5.516 -15.010 -0.215 1.00 0.00 C ATOM 461 CG PRO A 32 -5.939 -15.299 -1.614 1.00 0.00 C ATOM 462 CD PRO A 32 -6.429 -13.992 -2.182 1.00 0.00 C ATOM 0 HA PRO A 32 -5.098 -13.036 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.747 -15.707 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.352 -15.101 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.107 -15.691 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.726 -16.053 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.163 -13.888 -3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.514 -13.909 -2.118 1.00 0.00 H new ATOM 470 N LEU A 33 -2.960 -12.392 -0.891 1.00 0.00 N ATOM 471 CA LEU A 33 -1.526 -12.230 -1.103 1.00 0.00 C ATOM 472 C LEU A 33 -0.744 -12.870 0.031 1.00 0.00 C ATOM 473 O LEU A 33 -0.212 -13.971 -0.117 1.00 0.00 O ATOM 474 CB LEU A 33 -1.166 -10.748 -1.222 1.00 0.00 C ATOM 475 CG LEU A 33 -1.736 -10.037 -2.452 1.00 0.00 C ATOM 476 CD1 LEU A 33 -1.249 -8.597 -2.505 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.353 -10.776 -3.727 1.00 0.00 C ATOM 0 H LEU A 33 -3.505 -11.540 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.259 -12.729 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.517 -10.232 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.080 -10.654 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.823 -10.033 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.663 -8.105 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.574 -8.070 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.160 -8.583 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.768 -10.254 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.267 -10.813 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.749 -11.791 -3.692 1.00 0.00 H new ATOM 489 N LEU A 34 -0.740 -12.212 1.180 1.00 0.00 N ATOM 490 CA LEU A 34 -0.405 -12.874 2.426 1.00 0.00 C ATOM 491 C LEU A 34 -1.250 -12.316 3.550 1.00 0.00 C ATOM 492 O LEU A 34 -2.004 -13.043 4.196 1.00 0.00 O ATOM 493 CB LEU A 34 1.081 -12.710 2.756 1.00 0.00 C ATOM 494 CG LEU A 34 2.049 -13.299 1.728 1.00 0.00 C ATOM 495 CD1 LEU A 34 2.351 -12.282 0.637 1.00 0.00 C ATOM 496 CD2 LEU A 34 3.334 -13.746 2.405 1.00 0.00 C ATOM 0 H LEU A 34 -0.965 -11.221 1.273 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.612 -13.938 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.296 -11.647 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.275 -13.176 3.722 1.00 0.00 H new ATOM 0 HG LEU A 34 1.578 -14.168 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.041 -12.718 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.426 -12.004 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.803 -11.395 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.012 -14.163 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.807 -12.891 2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.106 -14.505 3.153 1.00 0.00 H new ATOM 508 N LEU A 35 -1.101 -11.018 3.789 1.00 0.00 N ATOM 509 CA LEU A 35 -1.732 -10.369 4.927 1.00 0.00 C ATOM 510 C LEU A 35 -1.197 -10.946 6.238 1.00 0.00 C ATOM 511 O LEU A 35 -1.370 -10.352 7.292 1.00 0.00 O ATOM 512 CB LEU A 35 -3.256 -10.502 4.846 1.00 0.00 C ATOM 513 CG LEU A 35 -3.894 -9.835 3.622 1.00 0.00 C ATOM 514 CD1 LEU A 35 -3.805 -10.757 2.415 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.342 -9.453 3.907 1.00 0.00 C ATOM 0 H LEU A 35 -0.545 -10.393 3.205 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.486 -9.307 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.515 -11.561 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.693 -10.071 5.747 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.344 -8.920 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.262 -10.272 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.759 -10.973 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.331 -11.688 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.774 -8.981 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.912 -10.348 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.376 -8.756 4.744 1.00 0.00 H new ATOM 527 N LYS A 36 -0.448 -12.043 6.144 1.00 0.00 N ATOM 528 CA LYS A 36 0.655 -12.292 7.058 1.00 0.00 C ATOM 529 C LYS A 36 1.864 -11.476 6.626 1.00 0.00 C ATOM 530 O LYS A 36 2.859 -11.374 7.342 1.00 0.00 O ATOM 531 CB LYS A 36 1.003 -13.779 7.076 1.00 0.00 C ATOM 532 CG LYS A 36 -0.054 -14.646 7.742 1.00 0.00 C ATOM 533 CD LYS A 36 0.343 -16.115 7.742 1.00 0.00 C ATOM 534 CE LYS A 36 0.412 -16.678 6.331 1.00 0.00 C ATOM 535 NZ LYS A 36 -0.896 -16.577 5.628 1.00 0.00 N ATOM 0 H LYS A 36 -0.588 -12.771 5.443 1.00 0.00 H new ATOM 0 HA LYS A 36 0.360 -11.995 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.148 -14.121 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.952 -13.915 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.207 -14.310 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.004 -14.526 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.312 -16.230 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.377 -16.687 8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.172 -16.141 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.723 -17.722 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.891 -17.199 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.659 -16.867 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.053 -15.594 5.326 1.00 0.00 H new ATOM 549 N LEU A 37 1.738 -10.868 5.453 1.00 0.00 N ATOM 550 CA LEU A 37 2.668 -9.857 4.990 1.00 0.00 C ATOM 551 C LEU A 37 2.391 -8.545 5.723 1.00 0.00 C ATOM 552 O LEU A 37 3.177 -7.601 5.668 1.00 0.00 O ATOM 553 CB LEU A 37 2.501 -9.716 3.465 1.00 0.00 C ATOM 554 CG LEU A 37 3.233 -8.565 2.768 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.508 -7.264 3.011 1.00 0.00 C ATOM 556 CD2 LEU A 37 4.676 -8.462 3.222 1.00 0.00 C ATOM 0 H LEU A 37 0.983 -11.066 4.796 1.00 0.00 H new ATOM 0 HA LEU A 37 3.700 -10.137 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.829 -10.648 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.437 -9.613 3.253 1.00 0.00 H new ATOM 0 HG LEU A 37 3.241 -8.774 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.038 -6.453 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.494 -7.333 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.468 -7.065 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.162 -7.634 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.707 -8.287 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.198 -9.391 2.990 1.00 0.00 H new ATOM 568 N LEU A 38 1.253 -8.497 6.413 1.00 0.00 N ATOM 569 CA LEU A 38 0.769 -7.261 7.015 1.00 0.00 C ATOM 570 C LEU A 38 0.361 -7.477 8.470 1.00 0.00 C ATOM 571 O LEU A 38 0.931 -6.878 9.380 1.00 0.00 O ATOM 572 CB LEU A 38 -0.418 -6.733 6.213 1.00 0.00 C ATOM 573 CG LEU A 38 -0.260 -5.321 5.651 1.00 0.00 C ATOM 574 CD1 LEU A 38 1.139 -5.108 5.104 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.287 -5.083 4.560 1.00 0.00 C ATOM 0 H LEU A 38 0.649 -9.304 6.568 1.00 0.00 H new ATOM 0 HA LEU A 38 1.578 -6.530 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.606 -7.416 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.302 -6.754 6.850 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.421 -4.609 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.225 -4.095 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.867 -5.250 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.331 -5.825 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.169 -4.075 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.141 -5.807 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.289 -5.196 4.973 1.00 0.00 H new ATOM 587 N LYS A 39 -0.622 -8.345 8.682 1.00 0.00 N ATOM 588 CA LYS A 39 -1.032 -8.724 10.033 1.00 0.00 C ATOM 589 C LYS A 39 0.175 -9.091 10.892 1.00 0.00 C ATOM 590 O LYS A 39 0.119 -9.018 12.120 1.00 0.00 O ATOM 591 CB LYS A 39 -2.016 -9.897 9.991 1.00 0.00 C ATOM 592 CG LYS A 39 -3.361 -9.539 9.381 1.00 0.00 C ATOM 593 CD LYS A 39 -4.279 -10.748 9.292 1.00 0.00 C ATOM 594 CE LYS A 39 -3.845 -11.708 8.195 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.695 -12.928 8.155 1.00 0.00 N ATOM 0 H LYS A 39 -1.150 -8.800 7.938 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.527 -7.862 10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.573 -10.713 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.172 -10.266 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.838 -8.764 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.210 -9.123 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.287 -11.270 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.300 -10.416 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.891 -11.202 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.806 -11.995 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.366 -13.556 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.631 -13.426 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.683 -12.657 7.977 1.00 0.00 H new ATOM 609 N SER A 40 1.272 -9.462 10.239 1.00 0.00 N ATOM 610 CA SER A 40 2.526 -9.714 10.940 1.00 0.00 C ATOM 611 C SER A 40 3.168 -8.408 11.399 1.00 0.00 C ATOM 612 O SER A 40 3.538 -8.263 12.563 1.00 0.00 O ATOM 613 CB SER A 40 3.495 -10.481 10.043 1.00 0.00 C ATOM 614 OG SER A 40 4.720 -10.731 10.710 1.00 0.00 O ATOM 0 H SER A 40 1.318 -9.594 9.229 1.00 0.00 H new ATOM 0 HA SER A 40 2.302 -10.317 11.820 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.044 -11.426 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.683 -9.910 9.134 1.00 0.00 H new ATOM 0 HG SER A 40 5.322 -11.225 10.115 1.00 0.00 H new ATOM 620 N VAL A 41 3.304 -7.460 10.472 1.00 0.00 N ATOM 621 CA VAL A 41 3.948 -6.189 10.771 1.00 0.00 C ATOM 622 C VAL A 41 3.063 -5.314 11.661 1.00 0.00 C ATOM 623 O VAL A 41 3.500 -4.275 12.156 1.00 0.00 O ATOM 624 CB VAL A 41 4.308 -5.427 9.474 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.071 -5.153 8.636 1.00 0.00 C ATOM 626 CG2 VAL A 41 5.032 -4.131 9.790 1.00 0.00 C ATOM 0 H VAL A 41 2.976 -7.551 9.510 1.00 0.00 H new ATOM 0 HA VAL A 41 4.868 -6.413 11.311 1.00 0.00 H new ATOM 0 HB VAL A 41 4.977 -6.062 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.356 -4.616 7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.599 -6.097 8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.369 -4.549 9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.274 -3.614 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.391 -3.496 10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.951 -4.351 10.333 1.00 0.00 H new ATOM 636 N GLY A 42 1.829 -5.757 11.894 1.00 0.00 N ATOM 637 CA GLY A 42 0.975 -5.074 12.850 1.00 0.00 C ATOM 638 C GLY A 42 -0.476 -5.517 12.787 1.00 0.00 C ATOM 639 O GLY A 42 -1.108 -5.731 13.822 1.00 0.00 O ATOM 0 H GLY A 42 1.409 -6.569 11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.357 -5.248 13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.027 -4.000 12.670 1.00 0.00 H new ATOM 643 N ALA A 43 -1.020 -5.610 11.576 1.00 0.00 N ATOM 644 CA ALA A 43 -2.461 -5.783 11.394 1.00 0.00 C ATOM 645 C ALA A 43 -2.967 -7.062 12.058 1.00 0.00 C ATOM 646 O ALA A 43 -2.196 -7.823 12.640 1.00 0.00 O ATOM 647 CB ALA A 43 -2.812 -5.789 9.914 1.00 0.00 C ATOM 0 H ALA A 43 -0.487 -5.569 10.707 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.955 -4.940 11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.888 -5.919 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.509 -4.844 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.291 -6.609 9.420 1.00 0.00 H new ATOM 653 N GLN A 44 -4.274 -7.291 11.950 1.00 0.00 N ATOM 654 CA GLN A 44 -4.891 -8.510 12.466 1.00 0.00 C ATOM 655 C GLN A 44 -6.363 -8.575 12.063 1.00 0.00 C ATOM 656 O GLN A 44 -7.255 -8.439 12.902 1.00 0.00 O ATOM 657 CB GLN A 44 -4.760 -8.573 13.991 1.00 0.00 C ATOM 658 CG GLN A 44 -5.234 -9.888 14.591 1.00 0.00 C ATOM 659 CD GLN A 44 -5.084 -9.927 16.098 1.00 0.00 C ATOM 660 OE1 GLN A 44 -4.051 -10.344 16.621 1.00 0.00 O ATOM 661 NE2 GLN A 44 -6.120 -9.493 16.808 1.00 0.00 N ATOM 0 H GLN A 44 -4.928 -6.645 11.508 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.372 -9.366 12.035 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.717 -8.414 14.264 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.332 -7.756 14.430 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.280 -10.047 14.329 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.667 -10.709 14.152 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.958 -9.155 16.334 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.078 -9.497 17.827 1.00 0.00 H new ATOM 670 N LYS A 45 -6.610 -8.749 10.768 1.00 0.00 N ATOM 671 CA LYS A 45 -7.962 -8.657 10.225 1.00 0.00 C ATOM 672 C LYS A 45 -8.188 -9.701 9.135 1.00 0.00 C ATOM 673 O LYS A 45 -7.245 -10.337 8.666 1.00 0.00 O ATOM 674 CB LYS A 45 -8.203 -7.258 9.653 1.00 0.00 C ATOM 675 CG LYS A 45 -8.013 -6.142 10.667 1.00 0.00 C ATOM 676 CD LYS A 45 -7.798 -4.796 9.988 1.00 0.00 C ATOM 677 CE LYS A 45 -8.978 -4.411 9.109 1.00 0.00 C ATOM 678 NZ LYS A 45 -10.241 -4.299 9.889 1.00 0.00 N ATOM 0 H LYS A 45 -5.891 -8.955 10.074 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.665 -8.846 11.036 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.524 -7.096 8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.217 -7.207 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.887 -6.087 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.158 -6.370 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.643 -4.028 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.892 -4.835 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.770 -3.460 8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.102 -5.155 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.985 -3.890 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.536 -5.243 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.086 -3.686 10.714 1.00 0.00 H new ATOM 692 N ASP A 46 -9.441 -9.851 8.720 1.00 0.00 N ATOM 693 CA ASP A 46 -9.773 -10.688 7.572 1.00 0.00 C ATOM 694 C ASP A 46 -9.767 -9.862 6.290 1.00 0.00 C ATOM 695 O ASP A 46 -9.701 -10.405 5.187 1.00 0.00 O ATOM 696 CB ASP A 46 -11.143 -11.340 7.768 1.00 0.00 C ATOM 697 CG ASP A 46 -11.195 -12.218 9.004 1.00 0.00 C ATOM 698 OD1 ASP A 46 -10.890 -13.423 8.889 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.541 -11.699 10.085 1.00 0.00 O ATOM 0 H ASP A 46 -10.244 -9.404 9.162 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.019 -11.471 7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.904 -10.563 7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.386 -11.939 6.890 1.00 0.00 H new ATOM 704 N THR A 47 -9.823 -8.544 6.451 1.00 0.00 N ATOM 705 CA THR A 47 -9.733 -7.622 5.324 1.00 0.00 C ATOM 706 C THR A 47 -8.835 -6.449 5.663 1.00 0.00 C ATOM 707 O THR A 47 -8.281 -6.376 6.760 1.00 0.00 O ATOM 708 CB THR A 47 -11.115 -7.070 4.926 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.667 -6.312 6.009 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.070 -8.189 4.554 1.00 0.00 C ATOM 0 H THR A 47 -9.931 -8.088 7.357 1.00 0.00 H new ATOM 0 HA THR A 47 -9.319 -8.188 4.490 1.00 0.00 H new ATOM 0 HB THR A 47 -10.982 -6.428 4.055 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.627 -6.494 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.036 -7.766 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.665 -8.748 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.196 -8.858 5.406 1.00 0.00 H new ATOM 718 N TYR A 48 -8.719 -5.512 4.732 1.00 0.00 N ATOM 719 CA TYR A 48 -8.040 -4.263 5.010 1.00 0.00 C ATOM 720 C TYR A 48 -8.810 -3.082 4.462 1.00 0.00 C ATOM 721 O TYR A 48 -9.776 -3.239 3.711 1.00 0.00 O ATOM 722 CB TYR A 48 -6.638 -4.277 4.418 1.00 0.00 C ATOM 723 CG TYR A 48 -5.657 -5.059 5.244 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.624 -6.442 5.190 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.763 -4.410 6.079 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.723 -7.159 5.949 1.00 0.00 C ATOM 727 CE2 TYR A 48 -3.859 -5.120 6.843 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.844 -6.498 6.771 1.00 0.00 C ATOM 729 OH TYR A 48 -2.952 -7.219 7.526 1.00 0.00 O ATOM 0 H TYR A 48 -9.086 -5.596 3.784 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.975 -4.159 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.678 -4.701 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.283 -3.252 4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.313 -6.966 4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.773 -3.331 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.709 -8.238 5.897 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.169 -4.601 7.492 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.582 -7.949 6.987 1.00 0.00 H new ATOM 739 N THR A 49 -8.354 -1.896 4.817 1.00 0.00 N ATOM 740 CA THR A 49 -8.891 -0.689 4.228 1.00 0.00 C ATOM 741 C THR A 49 -7.771 0.149 3.632 1.00 0.00 C ATOM 742 O THR A 49 -6.627 0.068 4.076 1.00 0.00 O ATOM 743 CB THR A 49 -9.671 0.152 5.255 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.775 0.687 6.237 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.740 -0.686 5.941 1.00 0.00 C ATOM 0 H THR A 49 -7.617 -1.745 5.506 1.00 0.00 H new ATOM 0 HA THR A 49 -9.583 -0.992 3.442 1.00 0.00 H new ATOM 0 HB THR A 49 -10.157 0.971 4.724 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.281 1.222 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.278 -0.070 6.662 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.439 -1.066 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.270 -1.523 6.458 1.00 0.00 H new ATOM 753 N MET A 50 -8.099 0.914 2.598 1.00 0.00 N ATOM 754 CA MET A 50 -7.087 1.538 1.752 1.00 0.00 C ATOM 755 C MET A 50 -5.944 2.115 2.576 1.00 0.00 C ATOM 756 O MET A 50 -4.780 1.880 2.272 1.00 0.00 O ATOM 757 CB MET A 50 -7.715 2.634 0.899 1.00 0.00 C ATOM 758 CG MET A 50 -7.545 2.407 -0.593 1.00 0.00 C ATOM 759 SD MET A 50 -6.032 3.147 -1.237 1.00 0.00 S ATOM 760 CE MET A 50 -6.182 2.765 -2.980 1.00 0.00 C ATOM 0 H MET A 50 -9.060 1.118 2.324 1.00 0.00 H new ATOM 0 HA MET A 50 -6.677 0.764 1.104 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.778 2.700 1.130 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.270 3.592 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.536 1.336 -0.795 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.403 2.824 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.194 2.775 -3.441 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.628 1.777 -3.099 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.815 3.509 -3.462 1.00 0.00 H new ATOM 770 N LYS A 51 -6.275 2.877 3.610 1.00 0.00 N ATOM 771 CA LYS A 51 -5.259 3.572 4.387 1.00 0.00 C ATOM 772 C LYS A 51 -4.502 2.580 5.255 1.00 0.00 C ATOM 773 O LYS A 51 -3.273 2.597 5.320 1.00 0.00 O ATOM 774 CB LYS A 51 -5.896 4.660 5.254 1.00 0.00 C ATOM 775 CG LYS A 51 -7.000 4.149 6.168 1.00 0.00 C ATOM 776 CD LYS A 51 -7.604 5.270 6.998 1.00 0.00 C ATOM 777 CE LYS A 51 -6.593 5.857 7.969 1.00 0.00 C ATOM 778 NZ LYS A 51 -7.176 6.965 8.777 1.00 0.00 N ATOM 0 H LYS A 51 -7.232 3.029 3.928 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.559 4.048 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.121 5.127 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.304 5.436 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.780 3.678 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.599 3.381 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.972 6.055 6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.463 4.891 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.232 5.073 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.730 6.227 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.454 7.338 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.497 7.725 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.984 6.607 9.326 1.00 0.00 H new ATOM 792 N GLU A 52 -5.257 1.700 5.896 1.00 0.00 N ATOM 793 CA GLU A 52 -4.691 0.647 6.721 1.00 0.00 C ATOM 794 C GLU A 52 -3.632 -0.138 5.953 1.00 0.00 C ATOM 795 O GLU A 52 -2.449 -0.093 6.285 1.00 0.00 O ATOM 796 CB GLU A 52 -5.808 -0.287 7.178 1.00 0.00 C ATOM 797 CG GLU A 52 -5.682 -0.731 8.626 1.00 0.00 C ATOM 798 CD GLU A 52 -5.737 0.428 9.600 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.851 0.786 10.037 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.664 0.979 9.927 1.00 0.00 O ATOM 0 H GLU A 52 -6.276 1.697 5.858 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.210 1.099 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.766 0.215 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.817 -1.168 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.483 -1.433 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.741 -1.266 8.757 1.00 0.00 H new ATOM 807 N VAL A 53 -4.071 -0.862 4.927 1.00 0.00 N ATOM 808 CA VAL A 53 -3.185 -1.725 4.152 1.00 0.00 C ATOM 809 C VAL A 53 -2.040 -0.937 3.519 1.00 0.00 C ATOM 810 O VAL A 53 -0.933 -1.454 3.374 1.00 0.00 O ATOM 811 CB VAL A 53 -3.960 -2.474 3.050 1.00 0.00 C ATOM 812 CG1 VAL A 53 -4.737 -1.494 2.185 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.020 -3.313 2.198 1.00 0.00 C ATOM 0 H VAL A 53 -5.041 -0.868 4.612 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.765 -2.449 4.850 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.669 -3.147 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.278 -2.040 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.446 -0.944 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.045 -0.794 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.592 -3.831 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.280 -2.666 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.513 -4.044 2.828 1.00 0.00 H new ATOM 823 N LEU A 54 -2.310 0.307 3.130 1.00 0.00 N ATOM 824 CA LEU A 54 -1.305 1.120 2.452 1.00 0.00 C ATOM 825 C LEU A 54 -0.076 1.324 3.330 1.00 0.00 C ATOM 826 O LEU A 54 0.986 0.768 3.054 1.00 0.00 O ATOM 827 CB LEU A 54 -1.880 2.477 2.038 1.00 0.00 C ATOM 828 CG LEU A 54 -2.585 2.493 0.677 1.00 0.00 C ATOM 829 CD1 LEU A 54 -3.017 3.906 0.320 1.00 0.00 C ATOM 830 CD2 LEU A 54 -1.685 1.917 -0.404 1.00 0.00 C ATOM 0 H LEU A 54 -3.208 0.770 3.271 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.005 0.580 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.587 2.803 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.071 3.207 2.020 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.475 1.867 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.516 3.900 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.704 4.279 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.141 4.553 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.206 1.939 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.774 2.511 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.429 0.888 -0.154 1.00 0.00 H new ATOM 842 N PHE A 55 -0.214 2.131 4.379 1.00 0.00 N ATOM 843 CA PHE A 55 0.926 2.455 5.225 1.00 0.00 C ATOM 844 C PHE A 55 1.390 1.232 6.010 1.00 0.00 C ATOM 845 O PHE A 55 2.468 1.243 6.600 1.00 0.00 O ATOM 846 CB PHE A 55 0.605 3.616 6.178 1.00 0.00 C ATOM 847 CG PHE A 55 -0.670 3.460 6.965 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.897 2.336 7.743 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.635 4.454 6.934 1.00 0.00 C ATOM 850 CE1 PHE A 55 -2.065 2.203 8.471 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.804 4.328 7.661 1.00 0.00 C ATOM 852 CZ PHE A 55 -3.018 3.201 8.430 1.00 0.00 C ATOM 0 H PHE A 55 -1.093 2.567 4.659 1.00 0.00 H new ATOM 0 HA PHE A 55 1.738 2.772 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.434 3.732 6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.546 4.537 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.153 1.554 7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.472 5.338 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.231 1.320 9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.549 5.110 7.628 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.930 3.100 8.999 1.00 0.00 H new ATOM 862 N TYR A 56 0.585 0.171 5.988 1.00 0.00 N ATOM 863 CA TYR A 56 0.990 -1.103 6.576 1.00 0.00 C ATOM 864 C TYR A 56 1.901 -1.871 5.634 1.00 0.00 C ATOM 865 O TYR A 56 2.793 -2.599 6.073 1.00 0.00 O ATOM 866 CB TYR A 56 -0.226 -1.955 6.932 1.00 0.00 C ATOM 867 CG TYR A 56 -0.417 -2.132 8.420 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.674 -2.347 9.258 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.682 -2.085 8.989 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.508 -2.509 10.617 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.857 -2.246 10.349 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.760 -2.459 11.161 1.00 0.00 C ATOM 873 OH TYR A 56 -0.931 -2.618 12.515 1.00 0.00 O ATOM 0 H TYR A 56 -0.346 0.168 5.572 1.00 0.00 H new ATOM 0 HA TYR A 56 1.539 -0.881 7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.119 -1.495 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.123 -2.935 6.467 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.667 -2.388 8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.543 -1.920 8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.365 -2.674 11.253 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.848 -2.206 10.776 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.884 -2.555 12.734 1.00 0.00 H new ATOM 883 N LEU A 57 1.702 -1.673 4.340 1.00 0.00 N ATOM 884 CA LEU A 57 2.667 -2.125 3.356 1.00 0.00 C ATOM 885 C LEU A 57 3.949 -1.313 3.487 1.00 0.00 C ATOM 886 O LEU A 57 5.038 -1.873 3.583 1.00 0.00 O ATOM 887 CB LEU A 57 2.089 -1.994 1.942 1.00 0.00 C ATOM 888 CG LEU A 57 2.647 -2.977 0.907 1.00 0.00 C ATOM 889 CD1 LEU A 57 4.123 -2.720 0.658 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.425 -4.413 1.357 1.00 0.00 C ATOM 0 H LEU A 57 0.884 -1.204 3.950 1.00 0.00 H new ATOM 0 HA LEU A 57 2.894 -3.176 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.008 -2.126 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.269 -0.979 1.587 1.00 0.00 H new ATOM 0 HG LEU A 57 2.111 -2.822 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.496 -3.430 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.258 -1.705 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.676 -2.841 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.828 -5.095 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.930 -4.578 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.357 -4.596 1.477 1.00 0.00 H new ATOM 902 N GLY A 58 3.800 0.008 3.537 1.00 0.00 N ATOM 903 CA GLY A 58 4.922 0.875 3.843 1.00 0.00 C ATOM 904 C GLY A 58 5.676 0.424 5.078 1.00 0.00 C ATOM 905 O GLY A 58 6.908 0.473 5.113 1.00 0.00 O ATOM 0 H GLY A 58 2.919 0.494 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.603 0.898 2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.562 1.893 3.991 1.00 0.00 H new ATOM 909 N GLN A 59 4.938 -0.039 6.085 1.00 0.00 N ATOM 910 CA GLN A 59 5.552 -0.634 7.266 1.00 0.00 C ATOM 911 C GLN A 59 6.512 -1.746 6.865 1.00 0.00 C ATOM 912 O GLN A 59 7.696 -1.702 7.194 1.00 0.00 O ATOM 913 CB GLN A 59 4.488 -1.194 8.214 1.00 0.00 C ATOM 914 CG GLN A 59 3.652 -0.133 8.911 1.00 0.00 C ATOM 915 CD GLN A 59 4.496 0.956 9.545 1.00 0.00 C ATOM 916 OE1 GLN A 59 4.896 0.851 10.704 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.766 2.012 8.785 1.00 0.00 N ATOM 0 H GLN A 59 3.919 -0.013 6.105 1.00 0.00 H new ATOM 0 HA GLN A 59 6.105 0.150 7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.825 -1.850 7.650 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.978 -1.808 8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.969 0.316 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.040 -0.606 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.413 2.056 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.326 2.779 9.158 1.00 0.00 H new ATOM 926 N TYR A 60 5.988 -2.752 6.171 1.00 0.00 N ATOM 927 CA TYR A 60 6.763 -3.947 5.869 1.00 0.00 C ATOM 928 C TYR A 60 7.975 -3.616 4.997 1.00 0.00 C ATOM 929 O TYR A 60 9.069 -4.120 5.236 1.00 0.00 O ATOM 930 CB TYR A 60 5.897 -4.995 5.175 1.00 0.00 C ATOM 931 CG TYR A 60 6.504 -6.377 5.201 1.00 0.00 C ATOM 932 CD1 TYR A 60 7.623 -6.683 4.441 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.960 -7.372 5.997 1.00 0.00 C ATOM 934 CE1 TYR A 60 8.185 -7.945 4.475 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.510 -8.637 6.036 1.00 0.00 C ATOM 936 CZ TYR A 60 7.625 -8.919 5.273 1.00 0.00 C ATOM 937 OH TYR A 60 8.181 -10.177 5.310 1.00 0.00 O ATOM 0 H TYR A 60 5.034 -2.762 5.809 1.00 0.00 H new ATOM 0 HA TYR A 60 7.119 -4.353 6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.919 -5.025 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.735 -4.696 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.062 -5.923 3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.090 -7.154 6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.058 -8.167 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.071 -9.402 6.660 1.00 0.00 H new ATOM 0 HH TYR A 60 7.830 -10.667 6.082 1.00 0.00 H new ATOM 947 N ILE A 61 7.772 -2.772 3.986 1.00 0.00 N ATOM 948 CA ILE A 61 8.863 -2.359 3.104 1.00 0.00 C ATOM 949 C ILE A 61 10.066 -1.906 3.918 1.00 0.00 C ATOM 950 O ILE A 61 11.146 -2.493 3.835 1.00 0.00 O ATOM 951 CB ILE A 61 8.441 -1.202 2.175 1.00 0.00 C ATOM 952 CG1 ILE A 61 7.077 -1.476 1.555 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.476 -0.989 1.083 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.424 -0.235 0.995 1.00 0.00 C ATOM 0 H ILE A 61 6.866 -2.362 3.758 1.00 0.00 H new ATOM 0 HA ILE A 61 9.122 -3.226 2.497 1.00 0.00 H new ATOM 0 HB ILE A 61 8.373 -0.295 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.187 -2.213 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.423 -1.916 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.161 -0.169 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.437 -0.746 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.573 -1.899 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.456 -0.495 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.284 0.494 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.060 0.193 0.220 1.00 0.00 H new ATOM 966 N MET A 62 9.861 -0.866 4.717 1.00 0.00 N ATOM 967 CA MET A 62 10.895 -0.379 5.626 1.00 0.00 C ATOM 968 C MET A 62 11.404 -1.501 6.529 1.00 0.00 C ATOM 969 O MET A 62 12.547 -1.472 6.987 1.00 0.00 O ATOM 970 CB MET A 62 10.351 0.768 6.479 1.00 0.00 C ATOM 971 CG MET A 62 9.767 1.907 5.663 1.00 0.00 C ATOM 972 SD MET A 62 9.125 3.243 6.690 1.00 0.00 S ATOM 973 CE MET A 62 10.611 3.757 7.548 1.00 0.00 C ATOM 0 H MET A 62 8.987 -0.342 4.755 1.00 0.00 H new ATOM 0 HA MET A 62 11.729 -0.016 5.025 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.583 0.380 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.154 1.156 7.106 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.535 2.303 4.998 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.966 1.523 5.032 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.483 4.773 7.921 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.799 3.084 8.385 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.457 3.727 6.861 1.00 0.00 H new ATOM 983 N THR A 63 10.546 -2.482 6.786 1.00 0.00 N ATOM 984 CA THR A 63 10.885 -3.589 7.678 1.00 0.00 C ATOM 985 C THR A 63 11.546 -4.735 6.910 1.00 0.00 C ATOM 986 O THR A 63 11.402 -4.846 5.694 1.00 0.00 O ATOM 987 CB THR A 63 9.634 -4.120 8.406 1.00 0.00 C ATOM 988 OG1 THR A 63 8.943 -3.040 9.042 1.00 0.00 O ATOM 989 CG2 THR A 63 10.007 -5.163 9.449 1.00 0.00 C ATOM 0 H THR A 63 9.608 -2.535 6.389 1.00 0.00 H new ATOM 0 HA THR A 63 11.589 -3.202 8.415 1.00 0.00 H new ATOM 0 HB THR A 63 8.986 -4.587 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.261 -2.685 8.435 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.105 -5.519 9.946 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.508 -6.000 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.675 -4.718 10.186 1.00 0.00 H new ATOM 997 N LYS A 64 12.259 -5.595 7.635 1.00 0.00 N ATOM 998 CA LYS A 64 12.823 -6.813 7.056 1.00 0.00 C ATOM 999 C LYS A 64 13.757 -6.497 5.891 1.00 0.00 C ATOM 1000 O LYS A 64 14.072 -7.371 5.084 1.00 0.00 O ATOM 1001 CB LYS A 64 11.705 -7.749 6.589 1.00 0.00 C ATOM 1002 CG LYS A 64 10.762 -8.176 7.699 1.00 0.00 C ATOM 1003 CD LYS A 64 11.455 -9.099 8.687 1.00 0.00 C ATOM 1004 CE LYS A 64 10.507 -9.549 9.783 1.00 0.00 C ATOM 1005 NZ LYS A 64 9.348 -10.308 9.240 1.00 0.00 N ATOM 0 H LYS A 64 12.460 -5.470 8.627 1.00 0.00 H new ATOM 0 HA LYS A 64 13.405 -7.309 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.130 -7.252 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.151 -8.637 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.389 -7.295 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.897 -8.682 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.845 -9.970 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.308 -8.585 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.047 -10.172 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.146 -8.678 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.868 -10.809 10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.682 -9.649 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.683 -10.997 8.537 1.00 0.00 H new ATOM 1019 N ARG A 65 14.225 -5.254 5.843 1.00 0.00 N ATOM 1020 CA ARG A 65 15.292 -4.859 4.923 1.00 0.00 C ATOM 1021 C ARG A 65 15.076 -5.438 3.526 1.00 0.00 C ATOM 1022 O ARG A 65 15.931 -6.156 3.004 1.00 0.00 O ATOM 1023 CB ARG A 65 16.649 -5.307 5.469 1.00 0.00 C ATOM 1024 CG ARG A 65 16.983 -4.711 6.828 1.00 0.00 C ATOM 1025 CD ARG A 65 18.341 -5.181 7.323 1.00 0.00 C ATOM 1026 NE ARG A 65 19.418 -4.799 6.414 1.00 0.00 N ATOM 1027 CZ ARG A 65 20.703 -5.057 6.641 1.00 0.00 C ATOM 1028 NH1 ARG A 65 21.069 -5.696 7.745 1.00 0.00 N ATOM 1029 NH2 ARG A 65 21.621 -4.675 5.765 1.00 0.00 N ATOM 0 H ARG A 65 13.881 -4.497 6.434 1.00 0.00 H new ATOM 0 HA ARG A 65 15.273 -3.772 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.660 -6.394 5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.427 -5.029 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.975 -3.623 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.215 -4.992 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.533 -4.759 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.330 -6.265 7.436 1.00 0.00 H new ATOM 0 HE ARG A 65 19.171 -4.306 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.364 -5.990 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.055 -5.893 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.342 -4.183 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.606 -4.873 5.940 1.00 0.00 H new ATOM 1043 N LEU A 66 13.944 -5.098 2.917 1.00 0.00 N ATOM 1044 CA LEU A 66 13.699 -5.438 1.519 1.00 0.00 C ATOM 1045 C LEU A 66 13.927 -4.228 0.620 1.00 0.00 C ATOM 1046 O LEU A 66 13.842 -4.329 -0.604 1.00 0.00 O ATOM 1047 CB LEU A 66 12.272 -5.962 1.334 1.00 0.00 C ATOM 1048 CG LEU A 66 12.143 -7.481 1.171 1.00 0.00 C ATOM 1049 CD1 LEU A 66 13.136 -7.996 0.139 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.338 -8.189 2.502 1.00 0.00 C ATOM 0 H LEU A 66 13.184 -4.589 3.368 1.00 0.00 H new ATOM 0 HA LEU A 66 14.402 -6.221 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.676 -5.654 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.838 -5.482 0.457 1.00 0.00 H new ATOM 0 HG LEU A 66 11.135 -7.698 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.029 -9.076 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.941 -7.520 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.150 -7.761 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.242 -9.265 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.330 -7.962 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.582 -7.848 3.210 1.00 0.00 H new ATOM 1062 N TYR A 67 14.207 -3.082 1.234 1.00 0.00 N ATOM 1063 CA TYR A 67 14.371 -1.838 0.493 1.00 0.00 C ATOM 1064 C TYR A 67 15.642 -1.866 -0.354 1.00 0.00 C ATOM 1065 O TYR A 67 16.264 -2.915 -0.524 1.00 0.00 O ATOM 1066 CB TYR A 67 14.410 -0.648 1.455 1.00 0.00 C ATOM 1067 CG TYR A 67 15.620 -0.635 2.361 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.657 -1.407 3.515 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.722 0.153 2.063 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.762 -1.394 4.346 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.830 0.172 2.886 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.846 -0.603 4.027 1.00 0.00 C ATOM 1073 OH TYR A 67 18.948 -0.587 4.850 1.00 0.00 O ATOM 0 H TYR A 67 14.325 -2.990 2.243 1.00 0.00 H new ATOM 0 HA TYR A 67 13.517 -1.730 -0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.391 0.276 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.509 -0.659 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.809 -2.027 3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.713 0.762 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.776 -2.000 5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.680 0.790 2.638 1.00 0.00 H new ATOM 0 HH TYR A 67 19.623 0.021 4.481 1.00 0.00 H new ATOM 1083 N ASP A 68 16.014 -0.709 -0.893 1.00 0.00 N ATOM 1084 CA ASP A 68 17.167 -0.611 -1.780 1.00 0.00 C ATOM 1085 C ASP A 68 18.457 -0.478 -0.975 1.00 0.00 C ATOM 1086 O ASP A 68 19.088 -1.481 -0.636 1.00 0.00 O ATOM 1087 CB ASP A 68 17.006 0.579 -2.732 1.00 0.00 C ATOM 1088 CG ASP A 68 18.245 0.828 -3.570 1.00 0.00 C ATOM 1089 OD1 ASP A 68 18.388 0.178 -4.626 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.073 1.673 -3.170 1.00 0.00 O ATOM 0 H ASP A 68 15.532 0.175 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 68 17.225 -1.525 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.156 0.400 -3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.778 1.474 -2.153 1.00 0.00 H new ATOM 1095 N GLU A 69 18.826 0.761 -0.652 1.00 0.00 N ATOM 1096 CA GLU A 69 19.979 1.029 0.205 1.00 0.00 C ATOM 1097 C GLU A 69 20.233 2.530 0.318 1.00 0.00 C ATOM 1098 O GLU A 69 20.761 3.005 1.323 1.00 0.00 O ATOM 1099 CB GLU A 69 21.232 0.335 -0.336 1.00 0.00 C ATOM 1100 CG GLU A 69 21.625 0.784 -1.734 1.00 0.00 C ATOM 1101 CD GLU A 69 22.868 0.081 -2.245 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.727 -0.988 -2.875 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.979 0.599 -2.016 1.00 0.00 O ATOM 0 H GLU A 69 18.340 1.598 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 69 19.755 0.632 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.063 0.524 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.065 -0.742 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.798 0.595 -2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.796 1.860 -1.731 1.00 0.00 H new ATOM 1110 N LYS A 70 19.870 3.267 -0.727 1.00 0.00 N ATOM 1111 CA LYS A 70 20.158 4.697 -0.790 1.00 0.00 C ATOM 1112 C LYS A 70 19.168 5.493 0.055 1.00 0.00 C ATOM 1113 O LYS A 70 19.498 5.947 1.150 1.00 0.00 O ATOM 1114 CB LYS A 70 20.119 5.184 -2.240 1.00 0.00 C ATOM 1115 CG LYS A 70 21.155 4.521 -3.131 1.00 0.00 C ATOM 1116 CD LYS A 70 21.096 5.058 -4.552 1.00 0.00 C ATOM 1117 CE LYS A 70 22.148 4.409 -5.437 1.00 0.00 C ATOM 1118 NZ LYS A 70 23.526 4.650 -4.928 1.00 0.00 N ATOM 0 H LYS A 70 19.377 2.899 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 70 21.158 4.857 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.126 4.998 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.274 6.263 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.150 4.688 -2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.991 3.443 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.106 4.877 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.245 6.138 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.964 3.336 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.062 4.800 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.217 4.405 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.632 5.653 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.694 4.061 -4.088 1.00 0.00 H new ATOM 1132 N GLN A 71 17.955 5.660 -0.461 1.00 0.00 N ATOM 1133 CA GLN A 71 16.922 6.406 0.247 1.00 0.00 C ATOM 1134 C GLN A 71 15.787 5.487 0.678 1.00 0.00 C ATOM 1135 O GLN A 71 14.712 5.946 1.067 1.00 0.00 O ATOM 1136 CB GLN A 71 16.379 7.533 -0.635 1.00 0.00 C ATOM 1137 CG GLN A 71 17.438 8.540 -1.056 1.00 0.00 C ATOM 1138 CD GLN A 71 18.083 9.236 0.127 1.00 0.00 C ATOM 1139 OE1 GLN A 71 19.088 8.770 0.664 1.00 0.00 O ATOM 1140 NE2 GLN A 71 17.506 10.359 0.539 1.00 0.00 N ATOM 0 H GLN A 71 17.664 5.289 -1.366 1.00 0.00 H new ATOM 0 HA GLN A 71 17.371 6.841 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.927 7.099 -1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.587 8.054 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.207 8.031 -1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.986 9.286 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.674 10.709 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.895 10.872 1.330 1.00 0.00 H new ATOM 1149 N GLN A 72 16.045 4.186 0.622 1.00 0.00 N ATOM 1150 CA GLN A 72 15.090 3.185 1.094 1.00 0.00 C ATOM 1151 C GLN A 72 13.747 3.317 0.375 1.00 0.00 C ATOM 1152 O GLN A 72 12.738 2.780 0.828 1.00 0.00 O ATOM 1153 CB GLN A 72 14.891 3.317 2.604 1.00 0.00 C ATOM 1154 CG GLN A 72 16.189 3.278 3.394 1.00 0.00 C ATOM 1155 CD GLN A 72 15.967 3.347 4.894 1.00 0.00 C ATOM 1156 OE1 GLN A 72 14.908 4.036 5.306 1.00 0.00 O flip ATOM 1157 NE2 GLN A 72 16.739 2.791 5.672 1.00 0.00 N flip ATOM 0 H GLN A 72 16.912 3.796 0.253 1.00 0.00 H new ATOM 0 HA GLN A 72 15.498 2.199 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.376 4.254 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.241 2.512 2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.728 2.362 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.821 4.111 3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.540 2.272 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.579 2.848 6.678 1.00 0.00 H new ATOM 1166 N HIS A 73 13.743 4.031 -0.748 1.00 0.00 N ATOM 1167 CA HIS A 73 12.531 4.197 -1.543 1.00 0.00 C ATOM 1168 C HIS A 73 12.379 3.062 -2.548 1.00 0.00 C ATOM 1169 O HIS A 73 11.286 2.528 -2.729 1.00 0.00 O ATOM 1170 CB HIS A 73 12.548 5.543 -2.274 1.00 0.00 C ATOM 1171 CG HIS A 73 12.406 6.722 -1.364 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.356 7.716 -1.265 1.00 0.00 N ATOM 1173 CD2 HIS A 73 11.414 7.069 -0.511 1.00 0.00 C ATOM 1174 CE1 HIS A 73 12.956 8.623 -0.392 1.00 0.00 C ATOM 1175 NE2 HIS A 73 11.779 8.253 0.081 1.00 0.00 N ATOM 0 H HIS A 73 14.564 4.503 -1.127 1.00 0.00 H new ATOM 0 HA HIS A 73 11.679 4.174 -0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.482 5.634 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.740 5.560 -3.005 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.504 6.517 -0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.498 9.514 -0.113 1.00 0.00 H new ATOM 0 HE2 HIS A 73 11.231 8.764 0.773 1.00 0.00 H new ATOM 1184 N ILE A 74 13.482 2.675 -3.180 1.00 0.00 N ATOM 1185 CA ILE A 74 13.483 1.507 -4.049 1.00 0.00 C ATOM 1186 C ILE A 74 13.528 0.239 -3.207 1.00 0.00 C ATOM 1187 O ILE A 74 14.097 0.237 -2.118 1.00 0.00 O ATOM 1188 CB ILE A 74 14.675 1.524 -5.025 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.744 2.866 -5.763 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.568 0.373 -6.015 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.508 3.178 -6.582 1.00 0.00 C ATOM 0 H ILE A 74 14.381 3.151 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 74 12.567 1.529 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 74 15.594 1.400 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.897 3.663 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.613 2.864 -6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.418 0.400 -6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.566 -0.573 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.643 0.467 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.632 4.143 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.365 2.402 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.637 3.214 -5.927 1.00 0.00 H new ATOM 1203 N VAL A 75 12.881 -0.820 -3.677 1.00 0.00 N ATOM 1204 CA VAL A 75 12.651 -1.993 -2.841 1.00 0.00 C ATOM 1205 C VAL A 75 12.853 -3.285 -3.617 1.00 0.00 C ATOM 1206 O VAL A 75 11.912 -3.828 -4.194 1.00 0.00 O ATOM 1207 CB VAL A 75 11.232 -1.991 -2.251 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.140 -2.957 -1.080 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.829 -0.586 -1.835 1.00 0.00 C ATOM 0 H VAL A 75 12.509 -0.892 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 75 13.381 -1.942 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 75 10.536 -2.327 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.128 -2.942 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.380 -3.964 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.846 -2.658 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.821 -0.604 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.525 -0.216 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.851 0.071 -2.704 1.00 0.00 H new ATOM 1219 N TYR A 76 14.086 -3.778 -3.612 1.00 0.00 N ATOM 1220 CA TYR A 76 14.411 -5.040 -4.265 1.00 0.00 C ATOM 1221 C TYR A 76 13.719 -6.210 -3.579 1.00 0.00 C ATOM 1222 O TYR A 76 13.754 -6.336 -2.355 1.00 0.00 O ATOM 1223 CB TYR A 76 15.923 -5.255 -4.270 1.00 0.00 C ATOM 1224 CG TYR A 76 16.664 -4.293 -5.173 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.271 -2.965 -5.278 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.752 -4.716 -5.917 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.946 -2.085 -6.100 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.435 -3.843 -6.743 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.028 -2.528 -6.830 1.00 0.00 C ATOM 1230 OH TYR A 76 18.704 -1.654 -7.650 1.00 0.00 O ATOM 0 H TYR A 76 14.879 -3.321 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 76 14.052 -4.990 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.301 -5.151 -3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.136 -6.276 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.424 -2.615 -4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.073 -5.745 -5.851 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.628 -1.055 -6.171 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.282 -4.189 -7.317 1.00 0.00 H new ATOM 0 HH TYR A 76 19.441 -2.124 -8.093 1.00 0.00 H new ATOM 1240 N CYS A 77 13.083 -7.062 -4.376 1.00 0.00 N ATOM 1241 CA CYS A 77 12.346 -8.204 -3.840 1.00 0.00 C ATOM 1242 C CYS A 77 11.939 -9.170 -4.950 1.00 0.00 C ATOM 1243 O CYS A 77 10.785 -9.190 -5.378 1.00 0.00 O ATOM 1244 CB CYS A 77 11.107 -7.725 -3.081 1.00 0.00 C ATOM 1245 SG CYS A 77 10.016 -6.652 -4.045 1.00 0.00 S ATOM 0 H CYS A 77 13.062 -6.985 -5.393 1.00 0.00 H new ATOM 0 HA CYS A 77 13.004 -8.735 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.541 -8.594 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.427 -7.190 -2.187 1.00 0.00 H new ATOM 0 HG CYS A 77 10.078 -6.985 -5.300 1.00 0.00 H new ATOM 1251 N SER A 78 12.891 -9.977 -5.404 1.00 0.00 N ATOM 1252 CA SER A 78 12.619 -10.980 -6.429 1.00 0.00 C ATOM 1253 C SER A 78 12.059 -12.255 -5.805 1.00 0.00 C ATOM 1254 O SER A 78 11.550 -13.129 -6.505 1.00 0.00 O ATOM 1255 CB SER A 78 13.891 -11.296 -7.215 1.00 0.00 C ATOM 1256 OG SER A 78 14.906 -11.797 -6.363 1.00 0.00 O ATOM 0 H SER A 78 13.858 -9.957 -5.079 1.00 0.00 H new ATOM 0 HA SER A 78 11.873 -10.574 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.670 -12.028 -7.992 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.245 -10.396 -7.717 1.00 0.00 H new ATOM 0 HG SER A 78 14.696 -12.721 -6.111 1.00 0.00 H new ATOM 1262 N ASN A 79 12.158 -12.348 -4.483 1.00 0.00 N ATOM 1263 CA ASN A 79 11.666 -13.512 -3.754 1.00 0.00 C ATOM 1264 C ASN A 79 11.230 -13.120 -2.346 1.00 0.00 C ATOM 1265 O ASN A 79 11.832 -13.539 -1.357 1.00 0.00 O ATOM 1266 CB ASN A 79 12.746 -14.593 -3.684 1.00 0.00 C ATOM 1267 CG ASN A 79 13.151 -15.102 -5.054 1.00 0.00 C ATOM 1268 OD1 ASN A 79 14.072 -14.574 -5.678 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.463 -16.133 -5.530 1.00 0.00 N ATOM 0 H ASN A 79 12.576 -11.629 -3.893 1.00 0.00 H new ATOM 0 HA ASN A 79 10.803 -13.909 -4.289 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.623 -14.193 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.382 -15.427 -3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.690 -16.518 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.707 -16.540 -4.979 1.00 0.00 H new ATOM 1276 N ASP A 80 10.188 -12.297 -2.263 1.00 0.00 N ATOM 1277 CA ASP A 80 9.739 -11.760 -0.984 1.00 0.00 C ATOM 1278 C ASP A 80 8.232 -11.947 -0.809 1.00 0.00 C ATOM 1279 O ASP A 80 7.518 -12.277 -1.761 1.00 0.00 O ATOM 1280 CB ASP A 80 10.093 -10.275 -0.883 1.00 0.00 C ATOM 1281 CG ASP A 80 9.775 -9.692 0.480 1.00 0.00 C ATOM 1282 OD1 ASP A 80 10.048 -10.369 1.493 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.252 -8.559 0.534 1.00 0.00 O ATOM 0 H ASP A 80 9.640 -11.988 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 80 10.248 -12.307 -0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.155 -10.143 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.547 -9.722 -1.647 1.00 0.00 H new ATOM 1288 N LEU A 81 7.752 -11.701 0.403 1.00 0.00 N ATOM 1289 CA LEU A 81 6.319 -11.620 0.647 1.00 0.00 C ATOM 1290 C LEU A 81 5.700 -10.527 -0.219 1.00 0.00 C ATOM 1291 O LEU A 81 4.614 -10.697 -0.774 1.00 0.00 O ATOM 1292 CB LEU A 81 6.040 -11.345 2.127 1.00 0.00 C ATOM 1293 CG LEU A 81 6.432 -12.470 3.090 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.945 -12.560 3.232 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.781 -12.257 4.449 1.00 0.00 C ATOM 0 H LEU A 81 8.332 -11.555 1.229 1.00 0.00 H new ATOM 0 HA LEU A 81 5.868 -12.577 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.572 -10.439 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.976 -11.141 2.247 1.00 0.00 H new ATOM 0 HG LEU A 81 6.073 -13.413 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.199 -13.366 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.391 -12.762 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.331 -11.617 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.070 -13.065 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.109 -11.304 4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.697 -12.249 4.336 1.00 0.00 H new ATOM 1307 N LEU A 82 6.425 -9.421 -0.368 1.00 0.00 N ATOM 1308 CA LEU A 82 6.080 -8.411 -1.361 1.00 0.00 C ATOM 1309 C LEU A 82 6.127 -9.002 -2.763 1.00 0.00 C ATOM 1310 O LEU A 82 5.395 -8.571 -3.654 1.00 0.00 O ATOM 1311 CB LEU A 82 7.034 -7.216 -1.272 1.00 0.00 C ATOM 1312 CG LEU A 82 6.589 -6.096 -0.331 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.215 -5.584 -0.736 1.00 0.00 C ATOM 1314 CD2 LEU A 82 6.581 -6.575 1.111 1.00 0.00 C ATOM 0 H LEU A 82 7.253 -9.203 0.186 1.00 0.00 H new ATOM 0 HA LEU A 82 5.066 -8.068 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.011 -7.575 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.163 -6.800 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 82 7.302 -5.275 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.909 -4.787 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.256 -5.198 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.493 -6.399 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.261 -5.762 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.892 -7.413 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.584 -6.894 1.394 1.00 0.00 H new ATOM 1326 N GLY A 83 6.985 -9.999 -2.948 1.00 0.00 N ATOM 1327 CA GLY A 83 7.042 -10.705 -4.215 1.00 0.00 C ATOM 1328 C GLY A 83 5.684 -11.219 -4.646 1.00 0.00 C ATOM 1329 O GLY A 83 5.306 -11.089 -5.811 1.00 0.00 O ATOM 0 H GLY A 83 7.643 -10.331 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.437 -10.039 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.735 -11.542 -4.132 1.00 0.00 H new ATOM 1333 N ASP A 84 4.935 -11.781 -3.700 1.00 0.00 N ATOM 1334 CA ASP A 84 3.552 -12.174 -3.965 1.00 0.00 C ATOM 1335 C ASP A 84 2.706 -10.957 -4.320 1.00 0.00 C ATOM 1336 O ASP A 84 1.837 -11.024 -5.190 1.00 0.00 O ATOM 1337 CB ASP A 84 2.942 -12.888 -2.756 1.00 0.00 C ATOM 1338 CG ASP A 84 3.912 -13.857 -2.104 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.664 -13.429 -1.206 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.918 -15.043 -2.496 1.00 0.00 O ATOM 0 H ASP A 84 5.258 -11.973 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 84 3.561 -12.862 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.625 -12.147 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.049 -13.428 -3.070 1.00 0.00 H new ATOM 1345 N LEU A 85 2.965 -9.843 -3.639 1.00 0.00 N ATOM 1346 CA LEU A 85 2.226 -8.608 -3.879 1.00 0.00 C ATOM 1347 C LEU A 85 2.432 -8.128 -5.309 1.00 0.00 C ATOM 1348 O LEU A 85 1.548 -8.255 -6.156 1.00 0.00 O ATOM 1349 CB LEU A 85 2.679 -7.514 -2.905 1.00 0.00 C ATOM 1350 CG LEU A 85 2.355 -7.732 -1.420 1.00 0.00 C ATOM 1351 CD1 LEU A 85 1.317 -6.722 -0.954 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.877 -9.151 -1.140 1.00 0.00 C ATOM 0 H LEU A 85 3.681 -9.771 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 85 1.167 -8.814 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.758 -7.397 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.226 -6.573 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 85 3.278 -7.584 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.096 -6.887 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.705 -5.713 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.405 -6.841 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.660 -9.259 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.974 -9.351 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.655 -9.860 -1.425 1.00 0.00 H new ATOM 1364 N PHE A 86 3.607 -7.561 -5.558 1.00 0.00 N ATOM 1365 CA PHE A 86 3.925 -6.985 -6.859 1.00 0.00 C ATOM 1366 C PHE A 86 4.548 -8.026 -7.783 1.00 0.00 C ATOM 1367 O PHE A 86 3.995 -8.351 -8.834 1.00 0.00 O ATOM 1368 CB PHE A 86 4.890 -5.807 -6.700 1.00 0.00 C ATOM 1369 CG PHE A 86 4.400 -4.740 -5.763 1.00 0.00 C ATOM 1370 CD1 PHE A 86 4.371 -4.959 -4.396 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.974 -3.515 -6.251 1.00 0.00 C ATOM 1372 CE1 PHE A 86 3.926 -3.979 -3.532 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.527 -2.529 -5.391 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.505 -2.762 -4.030 1.00 0.00 C ATOM 0 H PHE A 86 4.358 -7.488 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 86 2.993 -6.635 -7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.848 -6.181 -6.339 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.069 -5.363 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.701 -5.909 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.991 -3.328 -7.315 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.907 -4.164 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.196 -1.579 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.159 -1.993 -3.356 1.00 0.00 H new ATOM 1384 N GLY A 87 5.721 -8.518 -7.395 1.00 0.00 N ATOM 1385 CA GLY A 87 6.510 -9.348 -8.283 1.00 0.00 C ATOM 1386 C GLY A 87 7.713 -8.609 -8.836 1.00 0.00 C ATOM 1387 O GLY A 87 8.525 -9.181 -9.561 1.00 0.00 O ATOM 0 H GLY A 87 6.139 -8.355 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.846 -10.235 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.886 -9.691 -9.108 1.00 0.00 H new ATOM 1391 N VAL A 88 7.822 -7.330 -8.488 1.00 0.00 N ATOM 1392 CA VAL A 88 8.920 -6.496 -8.961 1.00 0.00 C ATOM 1393 C VAL A 88 10.245 -6.921 -8.331 1.00 0.00 C ATOM 1394 O VAL A 88 10.279 -7.366 -7.185 1.00 0.00 O ATOM 1395 CB VAL A 88 8.678 -5.008 -8.639 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.358 -4.537 -9.228 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.711 -4.775 -7.136 1.00 0.00 C ATOM 0 H VAL A 88 7.161 -6.849 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 88 8.969 -6.627 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 88 9.479 -4.425 -9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.208 -3.484 -8.989 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.377 -4.664 -10.310 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.542 -5.125 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.538 -3.719 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.933 -5.371 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.685 -5.068 -6.744 1.00 0.00 H new ATOM 1407 N PRO A 89 11.360 -6.744 -9.060 1.00 0.00 N ATOM 1408 CA PRO A 89 12.699 -6.854 -8.486 1.00 0.00 C ATOM 1409 C PRO A 89 13.080 -5.613 -7.686 1.00 0.00 C ATOM 1410 O PRO A 89 14.127 -5.575 -7.043 1.00 0.00 O ATOM 1411 CB PRO A 89 13.590 -6.995 -9.717 1.00 0.00 C ATOM 1412 CG PRO A 89 12.874 -6.235 -10.781 1.00 0.00 C ATOM 1413 CD PRO A 89 11.402 -6.388 -10.493 1.00 0.00 C ATOM 0 HA PRO A 89 12.785 -7.683 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.584 -6.586 -9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 89 13.721 -8.041 -9.995 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.165 -5.185 -10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.119 -6.624 -11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.857 -5.465 -10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.952 -7.164 -11.112 1.00 0.00 H new ATOM 1421 N SER A 90 12.213 -4.604 -7.740 1.00 0.00 N ATOM 1422 CA SER A 90 12.430 -3.336 -7.043 1.00 0.00 C ATOM 1423 C SER A 90 11.254 -2.394 -7.290 1.00 0.00 C ATOM 1424 O SER A 90 10.775 -2.281 -8.419 1.00 0.00 O ATOM 1425 CB SER A 90 13.718 -2.671 -7.520 1.00 0.00 C ATOM 1426 OG SER A 90 13.745 -2.555 -8.933 1.00 0.00 O ATOM 0 H SER A 90 11.341 -4.641 -8.267 1.00 0.00 H new ATOM 0 HA SER A 90 12.514 -3.545 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.808 -1.682 -7.070 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.576 -3.253 -7.184 1.00 0.00 H new ATOM 0 HG SER A 90 14.580 -2.124 -9.210 1.00 0.00 H new ATOM 1432 N PHE A 91 10.797 -1.708 -6.247 1.00 0.00 N ATOM 1433 CA PHE A 91 9.734 -0.718 -6.413 1.00 0.00 C ATOM 1434 C PHE A 91 10.004 0.543 -5.601 1.00 0.00 C ATOM 1435 O PHE A 91 10.679 0.501 -4.576 1.00 0.00 O ATOM 1436 CB PHE A 91 8.370 -1.315 -6.044 1.00 0.00 C ATOM 1437 CG PHE A 91 8.138 -1.538 -4.571 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.696 -0.505 -3.756 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.327 -2.790 -4.009 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.452 -0.715 -2.414 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.089 -3.006 -2.665 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.649 -1.968 -1.866 1.00 0.00 C ATOM 0 H PHE A 91 11.138 -1.815 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 91 9.716 -0.435 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.589 -0.654 -6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.258 -2.268 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.541 0.477 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.665 -3.607 -4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.108 0.099 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.247 -3.986 -2.239 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.460 -2.136 -0.816 1.00 0.00 H new ATOM 1452 N SER A 92 9.476 1.669 -6.078 1.00 0.00 N ATOM 1453 CA SER A 92 9.677 2.951 -5.412 1.00 0.00 C ATOM 1454 C SER A 92 8.464 3.322 -4.563 1.00 0.00 C ATOM 1455 O SER A 92 7.451 3.793 -5.079 1.00 0.00 O ATOM 1456 CB SER A 92 9.944 4.051 -6.442 1.00 0.00 C ATOM 1457 OG SER A 92 10.124 5.306 -5.813 1.00 0.00 O ATOM 0 H SER A 92 8.906 1.718 -6.923 1.00 0.00 H new ATOM 0 HA SER A 92 10.543 2.856 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.832 3.801 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.110 4.108 -7.142 1.00 0.00 H new ATOM 0 HG SER A 92 10.295 5.991 -6.493 1.00 0.00 H new ATOM 1463 N VAL A 93 8.584 3.109 -3.257 1.00 0.00 N ATOM 1464 CA VAL A 93 7.524 3.460 -2.321 1.00 0.00 C ATOM 1465 C VAL A 93 7.158 4.939 -2.428 1.00 0.00 C ATOM 1466 O VAL A 93 6.015 5.324 -2.180 1.00 0.00 O ATOM 1467 CB VAL A 93 7.942 3.147 -0.871 1.00 0.00 C ATOM 1468 CG1 VAL A 93 9.180 3.942 -0.492 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.798 3.428 0.093 1.00 0.00 C ATOM 0 H VAL A 93 9.408 2.694 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 93 6.653 2.859 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 93 8.184 2.086 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.462 3.709 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.000 3.680 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.968 5.008 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.115 3.200 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.517 4.479 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.941 2.806 -0.168 1.00 0.00 H new ATOM 1479 N LYS A 94 8.136 5.761 -2.795 1.00 0.00 N ATOM 1480 CA LYS A 94 7.931 7.203 -2.894 1.00 0.00 C ATOM 1481 C LYS A 94 6.868 7.525 -3.940 1.00 0.00 C ATOM 1482 O LYS A 94 5.951 8.305 -3.687 1.00 0.00 O ATOM 1483 CB LYS A 94 9.248 7.901 -3.246 1.00 0.00 C ATOM 1484 CG LYS A 94 9.312 9.356 -2.803 1.00 0.00 C ATOM 1485 CD LYS A 94 8.416 10.251 -3.649 1.00 0.00 C ATOM 1486 CE LYS A 94 8.912 10.342 -5.085 1.00 0.00 C ATOM 1487 NZ LYS A 94 8.052 11.231 -5.914 1.00 0.00 N ATOM 0 H LYS A 94 9.080 5.453 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 94 7.585 7.569 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.072 7.355 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.396 7.853 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.014 9.430 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.341 9.709 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.398 9.862 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.380 11.249 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.935 10.717 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.934 9.345 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.985 10.848 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.101 11.283 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.468 12.183 -5.948 1.00 0.00 H new ATOM 1501 N GLU A 95 6.995 6.910 -5.112 1.00 0.00 N ATOM 1502 CA GLU A 95 6.011 7.076 -6.177 1.00 0.00 C ATOM 1503 C GLU A 95 4.697 6.391 -5.812 1.00 0.00 C ATOM 1504 O GLU A 95 4.410 5.292 -6.284 1.00 0.00 O ATOM 1505 CB GLU A 95 6.550 6.503 -7.490 1.00 0.00 C ATOM 1506 CG GLU A 95 7.812 7.191 -7.984 1.00 0.00 C ATOM 1507 CD GLU A 95 7.592 8.657 -8.301 1.00 0.00 C ATOM 1508 OE1 GLU A 95 6.493 9.003 -8.783 1.00 0.00 O ATOM 1509 OE2 GLU A 95 8.521 9.460 -8.069 1.00 0.00 O ATOM 0 H GLU A 95 7.771 6.291 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 95 5.823 8.142 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.755 5.441 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.779 6.585 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.591 7.100 -7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.174 6.681 -8.877 1.00 0.00 H new ATOM 1516 N HIS A 96 3.913 7.036 -4.955 1.00 0.00 N ATOM 1517 CA HIS A 96 2.699 6.425 -4.419 1.00 0.00 C ATOM 1518 C HIS A 96 1.589 6.385 -5.462 1.00 0.00 C ATOM 1519 O HIS A 96 0.661 5.585 -5.359 1.00 0.00 O ATOM 1520 CB HIS A 96 2.223 7.182 -3.174 1.00 0.00 C ATOM 1521 CG HIS A 96 1.872 8.615 -3.432 1.00 0.00 C ATOM 1522 ND1 HIS A 96 2.399 9.517 -4.294 1.00 0.00 N flip ATOM 1523 CD2 HIS A 96 0.870 9.276 -2.755 1.00 0.00 C flip ATOM 1524 CE1 HIS A 96 1.715 10.694 -4.121 1.00 0.00 C flip ATOM 1525 NE2 HIS A 96 0.797 10.522 -3.188 1.00 0.00 N flip ATOM 0 H HIS A 96 4.095 7.981 -4.616 1.00 0.00 H new ATOM 0 HA HIS A 96 2.940 5.399 -4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.351 6.673 -2.763 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.004 7.140 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS A 96 0.242 8.843 -1.990 1.00 0.00 H new ATOM 0 HE1 HIS A 96 1.898 11.612 -4.660 1.00 0.00 H new ATOM 0 HE2 HIS A 96 0.142 11.231 -2.857 1.00 0.00 H new ATOM 1534 N ARG A 97 1.700 7.231 -6.477 1.00 0.00 N ATOM 1535 CA ARG A 97 0.795 7.165 -7.617 1.00 0.00 C ATOM 1536 C ARG A 97 0.840 5.783 -8.259 1.00 0.00 C ATOM 1537 O ARG A 97 -0.155 5.059 -8.269 1.00 0.00 O ATOM 1538 CB ARG A 97 1.153 8.235 -8.651 1.00 0.00 C ATOM 1539 CG ARG A 97 0.602 9.612 -8.319 1.00 0.00 C ATOM 1540 CD ARG A 97 -0.916 9.633 -8.386 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.458 10.970 -8.170 1.00 0.00 N ATOM 1542 CZ ARG A 97 -2.708 11.316 -8.468 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -3.538 10.427 -8.994 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -3.126 12.554 -8.241 1.00 0.00 N ATOM 0 H ARG A 97 2.403 7.967 -6.535 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.217 7.350 -7.257 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.238 8.298 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.775 7.927 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.928 9.905 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.009 10.346 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.240 9.264 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.321 8.953 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.845 11.679 -7.768 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.219 9.474 -9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.495 10.695 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.489 13.241 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.084 12.819 -8.470 1.00 0.00 H new ATOM 1558 N LYS A 98 2.001 5.424 -8.794 1.00 0.00 N ATOM 1559 CA LYS A 98 2.165 4.150 -9.484 1.00 0.00 C ATOM 1560 C LYS A 98 2.198 2.990 -8.496 1.00 0.00 C ATOM 1561 O LYS A 98 1.576 1.953 -8.723 1.00 0.00 O ATOM 1562 CB LYS A 98 3.445 4.159 -10.321 1.00 0.00 C ATOM 1563 CG LYS A 98 3.470 5.247 -11.383 1.00 0.00 C ATOM 1564 CD LYS A 98 4.770 5.235 -12.171 1.00 0.00 C ATOM 1565 CE LYS A 98 4.806 4.106 -13.191 1.00 0.00 C ATOM 1566 NZ LYS A 98 4.867 2.765 -12.545 1.00 0.00 N ATOM 0 H LYS A 98 2.844 5.998 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 98 1.308 4.014 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.301 4.289 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.560 3.189 -10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.630 5.110 -12.064 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.340 6.220 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.893 6.190 -12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.610 5.130 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.920 4.162 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.671 4.234 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.464 2.132 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.272 2.857 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.908 2.368 -12.477 1.00 0.00 H new ATOM 1580 N ILE A 99 2.949 3.162 -7.415 1.00 0.00 N ATOM 1581 CA ILE A 99 3.222 2.068 -6.487 1.00 0.00 C ATOM 1582 C ILE A 99 1.935 1.555 -5.850 1.00 0.00 C ATOM 1583 O ILE A 99 1.788 0.356 -5.596 1.00 0.00 O ATOM 1584 CB ILE A 99 4.242 2.492 -5.398 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.115 1.300 -4.997 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.553 3.076 -4.175 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.460 0.371 -3.997 1.00 0.00 C ATOM 0 H ILE A 99 3.381 4.049 -7.158 1.00 0.00 H new ATOM 0 HA ILE A 99 3.665 1.254 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 99 4.873 3.272 -5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.372 0.733 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.049 1.671 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.302 3.360 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.979 3.955 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.883 2.332 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.139 -0.448 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.228 0.922 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.540 -0.031 -4.422 1.00 0.00 H new ATOM 1599 N TYR A 100 0.990 2.459 -5.620 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.300 2.081 -5.065 1.00 0.00 C ATOM 1601 C TYR A 100 -1.239 1.571 -6.154 1.00 0.00 C ATOM 1602 O TYR A 100 -2.036 0.663 -5.920 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.926 3.262 -4.328 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.227 3.580 -3.027 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.803 2.773 -2.564 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.594 4.677 -2.258 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.447 3.044 -1.380 1.00 0.00 C ATOM 1608 CE2 TYR A 100 0.048 4.958 -1.067 1.00 0.00 C ATOM 1609 CZ TYR A 100 1.067 4.139 -0.631 1.00 0.00 C ATOM 1610 OH TYR A 100 1.710 4.414 0.554 1.00 0.00 O ATOM 0 H TYR A 100 1.094 3.456 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.139 1.270 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.901 4.141 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.975 3.044 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.105 1.915 -3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.393 5.320 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.246 2.403 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.247 5.815 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 100 1.323 5.219 0.957 1.00 0.00 H new ATOM 1620 N THR A 101 -1.124 2.141 -7.350 1.00 0.00 N ATOM 1621 CA THR A 101 -1.872 1.651 -8.500 1.00 0.00 C ATOM 1622 C THR A 101 -1.554 0.184 -8.771 1.00 0.00 C ATOM 1623 O THR A 101 -2.412 -0.575 -9.224 1.00 0.00 O ATOM 1624 CB THR A 101 -1.575 2.478 -9.766 1.00 0.00 C ATOM 1625 OG1 THR A 101 -1.995 3.834 -9.574 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.283 1.896 -10.979 1.00 0.00 C ATOM 0 H THR A 101 -0.521 2.940 -7.546 1.00 0.00 H new ATOM 0 HA THR A 101 -2.930 1.754 -8.257 1.00 0.00 H new ATOM 0 HB THR A 101 -0.500 2.447 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.228 4.378 -9.296 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.055 2.500 -11.858 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.943 0.874 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.359 1.897 -10.807 1.00 0.00 H new ATOM 1634 N MET A 102 -0.322 -0.217 -8.469 1.00 0.00 N ATOM 1635 CA MET A 102 0.069 -1.618 -8.573 1.00 0.00 C ATOM 1636 C MET A 102 -0.572 -2.433 -7.462 1.00 0.00 C ATOM 1637 O MET A 102 -1.100 -3.519 -7.704 1.00 0.00 O ATOM 1638 CB MET A 102 1.588 -1.765 -8.504 1.00 0.00 C ATOM 1639 CG MET A 102 2.325 -0.885 -9.493 1.00 0.00 C ATOM 1640 SD MET A 102 4.100 -1.201 -9.525 1.00 0.00 S ATOM 1641 CE MET A 102 4.582 -0.593 -7.912 1.00 0.00 C ATOM 0 H MET A 102 0.420 0.407 -8.151 1.00 0.00 H new ATOM 0 HA MET A 102 -0.277 -1.991 -9.537 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.923 -1.524 -7.495 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.853 -2.806 -8.688 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.914 -1.045 -10.490 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.152 0.161 -9.241 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.102 0.359 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.694 -0.452 -7.296 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.244 -1.315 -7.434 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.513 -1.911 -6.241 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.054 -2.620 -5.091 1.00 0.00 C ATOM 1653 C ILE A 103 -2.518 -2.995 -5.316 1.00 0.00 C ATOM 1654 O ILE A 103 -2.973 -4.053 -4.881 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.944 -1.789 -3.796 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.517 -1.442 -3.510 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.552 -2.551 -2.625 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.715 -0.625 -2.250 1.00 0.00 C ATOM 0 H ILE A 103 -0.098 -1.005 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.457 -3.525 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.499 -0.860 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.091 -2.365 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.922 -0.890 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.467 -1.952 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.603 -2.753 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.021 -3.493 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.776 -0.418 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.170 0.315 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.341 -1.183 -1.392 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.256 -2.110 -5.984 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.692 -2.296 -6.173 1.00 0.00 C ATOM 1672 C TYR A 104 -5.023 -2.570 -7.639 1.00 0.00 C ATOM 1673 O TYR A 104 -4.149 -2.922 -8.429 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.453 -1.057 -5.696 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.241 -0.733 -4.236 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.113 -0.039 -3.817 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.169 -1.118 -3.277 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -3.916 0.261 -2.484 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.980 -0.820 -1.942 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.851 -0.130 -1.551 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.658 0.172 -0.223 1.00 0.00 O ATOM 0 H TYR A 104 -2.883 -1.258 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.999 -3.159 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.146 -0.201 -6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.518 -1.206 -5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.378 0.271 -4.546 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.053 -1.659 -3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.033 0.800 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.711 -1.125 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.981 1.080 -0.044 1.00 0.00 H new