USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 167:sc= -0.0429 (180deg=-0.239) USER MOD Single : A 26 THR OG1 : rot 33:sc= 0.163 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0352 (180deg=-0.242) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0184 (180deg=-0.143) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -90:sc= -1.74 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 50 MET CE :methyl 143:sc= -0.239 (180deg=-2.22!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.35) USER MOD Single : A 60 TYR OH : rot 15:sc= -0.137 USER MOD Single : A 62 MET CE :methyl -160:sc= -0.129 (180deg=-0.647) USER MOD Single : A 63 THR OG1 : rot 77:sc= 0.629 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc=-0.00662 F(o=-1,f=-0.0066) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-2.1) USER MOD Single : A 76 TYR OH : rot -178:sc= -0.0551 USER MOD Single : A 77 CYS SG : rot 69:sc= -5.26! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 34:sc= 0.38 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0601 (180deg=-0.304) USER MOD Single : A 96 HIS : no HD1:sc= -0.457 K(o=-0.46,f=-1.2) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 150:sc= -0.341 USER MOD Single : A 101 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 102 MET CE :methyl 143:sc= -5.48! (180deg=-10.1!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.393 2.629 -0.557 1.00 0.00 N ATOM 348 CA THR A 26 -11.534 1.186 -0.705 1.00 0.00 C ATOM 349 C THR A 26 -11.653 0.475 0.637 1.00 0.00 C ATOM 350 O THR A 26 -10.738 0.523 1.455 1.00 0.00 O ATOM 351 CB THR A 26 -10.324 0.608 -1.457 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.126 1.321 -2.686 1.00 0.00 O ATOM 353 CG2 THR A 26 -10.525 -0.868 -1.752 1.00 0.00 C ATOM 0 HA THR A 26 -12.452 1.018 -1.267 1.00 0.00 H new ATOM 0 HB THR A 26 -9.444 0.720 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.386 2.258 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.656 -1.254 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.649 -1.413 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.415 -0.998 -2.368 1.00 0.00 H new ATOM 361 N LEU A 27 -12.748 -0.262 0.823 1.00 0.00 N ATOM 362 CA LEU A 27 -12.782 -1.307 1.829 1.00 0.00 C ATOM 363 C LEU A 27 -12.212 -2.587 1.243 1.00 0.00 C ATOM 364 O LEU A 27 -12.934 -3.398 0.664 1.00 0.00 O ATOM 365 CB LEU A 27 -14.206 -1.548 2.332 1.00 0.00 C ATOM 366 CG LEU A 27 -14.313 -1.832 3.834 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.183 -2.744 4.292 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.291 -0.530 4.616 1.00 0.00 C ATOM 0 H LEU A 27 -13.612 -0.152 0.293 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.179 -0.989 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.813 -0.674 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.633 -2.389 1.785 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.259 -2.340 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.278 -2.933 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.236 -3.689 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.225 -2.265 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.368 -0.744 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.358 -0.002 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.132 0.093 4.310 1.00 0.00 H new ATOM 380 N VAL A 28 -10.900 -2.719 1.336 1.00 0.00 N ATOM 381 CA VAL A 28 -10.167 -3.656 0.499 1.00 0.00 C ATOM 382 C VAL A 28 -9.906 -4.948 1.246 1.00 0.00 C ATOM 383 O VAL A 28 -9.432 -4.941 2.381 1.00 0.00 O ATOM 384 CB VAL A 28 -8.830 -3.060 0.026 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.282 -2.132 1.086 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.829 -4.155 -0.304 1.00 0.00 C ATOM 0 H VAL A 28 -10.318 -2.188 1.984 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.785 -3.861 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.005 -2.490 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.335 -1.712 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.993 -1.326 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.122 -2.688 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.893 -3.705 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.646 -4.760 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.229 -4.786 -1.097 1.00 0.00 H new ATOM 396 N ARG A 29 -10.250 -6.052 0.615 1.00 0.00 N ATOM 397 CA ARG A 29 -10.298 -7.325 1.306 1.00 0.00 C ATOM 398 C ARG A 29 -9.526 -8.391 0.531 1.00 0.00 C ATOM 399 O ARG A 29 -10.117 -9.316 -0.027 1.00 0.00 O ATOM 400 CB ARG A 29 -11.754 -7.751 1.501 1.00 0.00 C ATOM 401 CG ARG A 29 -12.660 -6.618 1.969 1.00 0.00 C ATOM 402 CD ARG A 29 -14.099 -7.081 2.117 1.00 0.00 C ATOM 403 NE ARG A 29 -14.655 -7.558 0.853 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.939 -7.851 0.675 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.799 -7.713 1.676 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.366 -8.280 -0.504 1.00 0.00 N ATOM 0 H ARG A 29 -10.500 -6.094 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.827 -7.213 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.137 -8.148 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.793 -8.561 2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.300 -6.234 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.613 -5.795 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.148 -7.879 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.707 -6.258 2.493 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.021 -7.673 0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.475 -7.381 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.784 -7.939 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.709 -8.386 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.352 -8.504 -0.639 1.00 0.00 H new ATOM 420 N PRO A 30 -8.189 -8.251 0.461 1.00 0.00 N ATOM 421 CA PRO A 30 -7.346 -9.087 -0.402 1.00 0.00 C ATOM 422 C PRO A 30 -7.332 -10.548 0.031 1.00 0.00 C ATOM 423 O PRO A 30 -7.294 -10.853 1.224 1.00 0.00 O ATOM 424 CB PRO A 30 -5.945 -8.478 -0.249 1.00 0.00 C ATOM 425 CG PRO A 30 -6.162 -7.131 0.352 1.00 0.00 C ATOM 426 CD PRO A 30 -7.398 -7.250 1.193 1.00 0.00 C ATOM 0 HA PRO A 30 -7.713 -9.095 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.315 -9.097 0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.442 -8.402 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.306 -6.830 0.956 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.288 -6.374 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.168 -7.577 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.925 -6.299 1.277 1.00 0.00 H new ATOM 434 N LYS A 31 -7.323 -11.446 -0.949 1.00 0.00 N ATOM 435 CA LYS A 31 -7.067 -12.858 -0.690 1.00 0.00 C ATOM 436 C LYS A 31 -5.612 -13.063 -0.273 1.00 0.00 C ATOM 437 O LYS A 31 -4.749 -12.256 -0.617 1.00 0.00 O ATOM 438 CB LYS A 31 -7.379 -13.689 -1.936 1.00 0.00 C ATOM 439 CG LYS A 31 -8.823 -13.575 -2.401 1.00 0.00 C ATOM 440 CD LYS A 31 -9.790 -14.125 -1.365 1.00 0.00 C ATOM 441 CE LYS A 31 -11.231 -14.007 -1.829 1.00 0.00 C ATOM 442 NZ LYS A 31 -11.621 -12.592 -2.078 1.00 0.00 N ATOM 0 H LYS A 31 -7.490 -11.221 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.715 -13.187 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.720 -13.375 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.155 -14.735 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.060 -12.530 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.947 -14.116 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.555 -15.171 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.664 -13.586 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.367 -14.587 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.891 -14.438 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.654 -12.529 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.313 -12.001 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.169 -12.256 -2.952 1.00 0.00 H new ATOM 456 N PRO A 32 -5.327 -14.134 0.494 1.00 0.00 N ATOM 457 CA PRO A 32 -4.004 -14.373 1.073 1.00 0.00 C ATOM 458 C PRO A 32 -2.876 -14.126 0.074 1.00 0.00 C ATOM 459 O PRO A 32 -2.567 -14.983 -0.754 1.00 0.00 O ATOM 460 CB PRO A 32 -4.041 -15.854 1.486 1.00 0.00 C ATOM 461 CG PRO A 32 -5.366 -16.381 1.026 1.00 0.00 C ATOM 462 CD PRO A 32 -6.268 -15.192 0.872 1.00 0.00 C ATOM 0 HA PRO A 32 -3.803 -13.695 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.221 -16.407 1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.933 -15.960 2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.264 -16.915 0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.775 -17.087 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.027 -15.354 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.793 -14.957 1.798 1.00 0.00 H new ATOM 470 N LEU A 33 -2.279 -12.940 0.152 1.00 0.00 N ATOM 471 CA LEU A 33 -1.238 -12.542 -0.788 1.00 0.00 C ATOM 472 C LEU A 33 -0.412 -11.391 -0.224 1.00 0.00 C ATOM 473 O LEU A 33 0.818 -11.419 -0.264 1.00 0.00 O ATOM 474 CB LEU A 33 -1.859 -12.135 -2.126 1.00 0.00 C ATOM 475 CG LEU A 33 -0.865 -11.940 -3.273 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.153 -13.248 -3.587 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.577 -11.411 -4.510 1.00 0.00 C ATOM 0 H LEU A 33 -2.499 -12.238 0.858 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.579 -13.395 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.583 -12.896 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.412 -11.207 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.120 -11.207 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.550 -13.092 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.387 -13.589 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.886 -14.001 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.855 -11.278 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.342 -12.122 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.044 -10.453 -4.279 1.00 0.00 H new ATOM 489 N LEU A 34 -1.096 -10.386 0.314 1.00 0.00 N ATOM 490 CA LEU A 34 -0.424 -9.265 0.954 1.00 0.00 C ATOM 491 C LEU A 34 -0.825 -9.169 2.422 1.00 0.00 C ATOM 492 O LEU A 34 -0.418 -8.246 3.129 1.00 0.00 O ATOM 493 CB LEU A 34 -0.761 -7.962 0.228 1.00 0.00 C ATOM 494 CG LEU A 34 -2.199 -7.477 0.401 1.00 0.00 C ATOM 495 CD1 LEU A 34 -2.286 -6.497 1.560 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.705 -6.840 -0.883 1.00 0.00 C ATOM 0 H LEU A 34 -2.114 -10.327 0.319 1.00 0.00 H new ATOM 0 HA LEU A 34 0.652 -9.430 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.086 -7.182 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.565 -8.096 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.833 -8.335 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.316 -6.158 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.963 -6.989 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.642 -5.640 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.731 -6.500 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.074 -5.990 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.674 -7.573 -1.690 1.00 0.00 H new ATOM 508 N LEU A 35 -1.624 -10.127 2.876 1.00 0.00 N ATOM 509 CA LEU A 35 -2.057 -10.161 4.267 1.00 0.00 C ATOM 510 C LEU A 35 -1.079 -10.974 5.103 1.00 0.00 C ATOM 511 O LEU A 35 -0.764 -10.615 6.232 1.00 0.00 O ATOM 512 CB LEU A 35 -3.466 -10.753 4.386 1.00 0.00 C ATOM 513 CG LEU A 35 -4.488 -10.248 3.365 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.386 -8.740 3.195 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.300 -10.953 2.037 1.00 0.00 C ATOM 0 H LEU A 35 -1.985 -10.889 2.302 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.080 -9.137 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.393 -11.837 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.845 -10.543 5.386 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.486 -10.476 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.122 -8.406 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.576 -8.252 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.386 -8.480 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.034 -10.583 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.296 -10.758 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.434 -12.026 2.173 1.00 0.00 H new ATOM 527 N LYS A 36 -0.542 -12.033 4.509 1.00 0.00 N ATOM 528 CA LYS A 36 0.686 -12.633 5.004 1.00 0.00 C ATOM 529 C LYS A 36 1.799 -11.594 5.024 1.00 0.00 C ATOM 530 O LYS A 36 2.862 -11.808 5.608 1.00 0.00 O ATOM 531 CB LYS A 36 1.088 -13.814 4.123 1.00 0.00 C ATOM 532 CG LYS A 36 0.168 -15.018 4.257 1.00 0.00 C ATOM 533 CD LYS A 36 0.603 -16.160 3.351 1.00 0.00 C ATOM 534 CE LYS A 36 1.958 -16.717 3.759 1.00 0.00 C ATOM 535 NZ LYS A 36 2.391 -17.832 2.875 1.00 0.00 N ATOM 0 H LYS A 36 -0.937 -12.491 3.688 1.00 0.00 H new ATOM 0 HA LYS A 36 0.518 -12.994 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.100 -13.492 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.105 -14.115 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.161 -15.357 5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.853 -14.726 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.142 -16.955 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.649 -15.809 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.701 -15.921 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.910 -17.069 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.319 -18.183 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.695 -18.603 2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.462 -17.491 1.895 1.00 0.00 H new ATOM 549 N LEU A 37 1.540 -10.469 4.368 1.00 0.00 N ATOM 550 CA LEU A 37 2.519 -9.404 4.231 1.00 0.00 C ATOM 551 C LEU A 37 2.257 -8.293 5.245 1.00 0.00 C ATOM 552 O LEU A 37 3.157 -7.523 5.585 1.00 0.00 O ATOM 553 CB LEU A 37 2.465 -8.846 2.807 1.00 0.00 C ATOM 554 CG LEU A 37 3.480 -7.752 2.493 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.975 -7.877 1.064 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.863 -6.387 2.725 1.00 0.00 C ATOM 0 H LEU A 37 0.646 -10.272 3.918 1.00 0.00 H new ATOM 0 HA LEU A 37 3.512 -9.809 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.614 -9.668 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.465 -8.452 2.627 1.00 0.00 H new ATOM 0 HG LEU A 37 4.334 -7.867 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.698 -7.088 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.450 -8.849 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.133 -7.785 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.596 -5.613 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.995 -6.265 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.554 -6.300 3.767 1.00 0.00 H new ATOM 568 N LEU A 38 1.016 -8.209 5.716 1.00 0.00 N ATOM 569 CA LEU A 38 0.614 -7.145 6.632 1.00 0.00 C ATOM 570 C LEU A 38 0.312 -7.698 8.021 1.00 0.00 C ATOM 571 O LEU A 38 0.797 -7.178 9.027 1.00 0.00 O ATOM 572 CB LEU A 38 -0.609 -6.409 6.082 1.00 0.00 C ATOM 573 CG LEU A 38 -0.378 -5.656 4.771 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.598 -4.823 4.413 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.853 -4.773 4.874 1.00 0.00 C ATOM 0 H LEU A 38 0.271 -8.864 5.479 1.00 0.00 H new ATOM 0 HA LEU A 38 1.444 -6.444 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.411 -7.132 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.956 -5.700 6.834 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.214 -6.387 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.416 -4.294 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.463 -5.476 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.791 -4.101 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.002 -4.245 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.716 -4.050 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.726 -5.390 5.086 1.00 0.00 H new ATOM 587 N LYS A 39 -0.465 -8.772 8.072 1.00 0.00 N ATOM 588 CA LYS A 39 -0.661 -9.516 9.311 1.00 0.00 C ATOM 589 C LYS A 39 0.678 -9.980 9.875 1.00 0.00 C ATOM 590 O LYS A 39 0.766 -10.406 11.028 1.00 0.00 O ATOM 591 CB LYS A 39 -1.579 -10.715 9.067 1.00 0.00 C ATOM 592 CG LYS A 39 -2.887 -10.338 8.391 1.00 0.00 C ATOM 593 CD LYS A 39 -3.759 -11.549 8.117 1.00 0.00 C ATOM 594 CE LYS A 39 -3.061 -12.554 7.213 1.00 0.00 C ATOM 595 NZ LYS A 39 -3.896 -13.761 6.973 1.00 0.00 N ATOM 0 H LYS A 39 -0.970 -9.148 7.270 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.131 -8.857 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.056 -11.446 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.796 -11.199 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.431 -9.636 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.675 -9.825 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.021 -12.029 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.691 -11.228 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.825 -12.081 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.115 -12.852 7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.384 -14.420 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.101 -14.227 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.789 -13.481 6.519 1.00 0.00 H new ATOM 609 N SER A 40 1.724 -9.874 9.059 1.00 0.00 N ATOM 610 CA SER A 40 3.082 -10.172 9.502 1.00 0.00 C ATOM 611 C SER A 40 3.669 -9.006 10.295 1.00 0.00 C ATOM 612 O SER A 40 4.212 -9.198 11.384 1.00 0.00 O ATOM 613 CB SER A 40 3.975 -10.486 8.301 1.00 0.00 C ATOM 614 OG SER A 40 5.299 -10.783 8.711 1.00 0.00 O ATOM 0 H SER A 40 1.656 -9.583 8.084 1.00 0.00 H new ATOM 0 HA SER A 40 3.039 -11.044 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.564 -11.332 7.750 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.985 -9.636 7.619 1.00 0.00 H new ATOM 0 HG SER A 40 5.848 -10.981 7.924 1.00 0.00 H new ATOM 620 N VAL A 41 3.551 -7.798 9.746 1.00 0.00 N ATOM 621 CA VAL A 41 4.019 -6.592 10.433 1.00 0.00 C ATOM 622 C VAL A 41 3.447 -6.527 11.842 1.00 0.00 C ATOM 623 O VAL A 41 4.129 -6.133 12.788 1.00 0.00 O ATOM 624 CB VAL A 41 3.612 -5.299 9.693 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.755 -4.297 9.688 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.151 -5.596 8.279 1.00 0.00 C ATOM 0 H VAL A 41 3.137 -7.627 8.830 1.00 0.00 H new ATOM 0 HA VAL A 41 5.107 -6.656 10.458 1.00 0.00 H new ATOM 0 HB VAL A 41 2.773 -4.858 10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.445 -3.394 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.022 -4.045 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.618 -4.732 9.185 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.871 -4.666 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.960 -6.073 7.725 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.290 -6.264 8.310 1.00 0.00 H new ATOM 636 N GLY A 42 2.177 -6.889 11.960 1.00 0.00 N ATOM 637 CA GLY A 42 1.459 -6.704 13.202 1.00 0.00 C ATOM 638 C GLY A 42 -0.040 -6.689 12.992 1.00 0.00 C ATOM 639 O GLY A 42 -0.809 -6.845 13.940 1.00 0.00 O ATOM 0 H GLY A 42 1.629 -7.311 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.720 -7.504 13.895 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.770 -5.767 13.665 1.00 0.00 H new ATOM 643 N ALA A 43 -0.451 -6.508 11.741 1.00 0.00 N ATOM 644 CA ALA A 43 -1.869 -6.508 11.396 1.00 0.00 C ATOM 645 C ALA A 43 -2.538 -7.813 11.818 1.00 0.00 C ATOM 646 O ALA A 43 -1.868 -8.819 12.051 1.00 0.00 O ATOM 647 CB ALA A 43 -2.050 -6.279 9.903 1.00 0.00 C ATOM 0 H ALA A 43 0.176 -6.360 10.950 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.348 -5.693 11.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.113 -6.282 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.617 -5.317 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.550 -7.074 9.350 1.00 0.00 H new ATOM 653 N GLN A 44 -3.866 -7.786 11.920 1.00 0.00 N ATOM 654 CA GLN A 44 -4.627 -8.959 12.333 1.00 0.00 C ATOM 655 C GLN A 44 -6.125 -8.712 12.176 1.00 0.00 C ATOM 656 O GLN A 44 -6.832 -8.463 13.154 1.00 0.00 O ATOM 657 CB GLN A 44 -4.305 -9.317 13.787 1.00 0.00 C ATOM 658 CG GLN A 44 -4.965 -10.604 14.259 1.00 0.00 C ATOM 659 CD GLN A 44 -4.630 -10.935 15.700 1.00 0.00 C ATOM 660 OE1 GLN A 44 -5.334 -10.524 16.623 1.00 0.00 O ATOM 661 NE2 GLN A 44 -3.551 -11.684 15.901 1.00 0.00 N ATOM 0 H GLN A 44 -4.435 -6.963 11.722 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.343 -9.793 11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.225 -9.411 13.898 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.622 -8.498 14.433 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.046 -10.514 14.152 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.649 -11.427 13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.996 -12.003 15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.277 -11.940 16.850 1.00 0.00 H new ATOM 670 N LYS A 45 -6.600 -8.772 10.936 1.00 0.00 N ATOM 671 CA LYS A 45 -8.002 -8.500 10.639 1.00 0.00 C ATOM 672 C LYS A 45 -8.564 -9.535 9.670 1.00 0.00 C ATOM 673 O LYS A 45 -7.820 -10.326 9.088 1.00 0.00 O ATOM 674 CB LYS A 45 -8.151 -7.100 10.039 1.00 0.00 C ATOM 675 CG LYS A 45 -7.544 -6.000 10.896 1.00 0.00 C ATOM 676 CD LYS A 45 -7.325 -4.722 10.098 1.00 0.00 C ATOM 677 CE LYS A 45 -8.629 -4.175 9.539 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.599 -3.837 10.618 1.00 0.00 N ATOM 0 H LYS A 45 -6.034 -9.007 10.120 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.563 -8.556 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.681 -7.084 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.210 -6.889 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.200 -5.793 11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.593 -6.341 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.859 -3.971 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.633 -4.919 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.424 -3.285 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.074 -4.911 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.393 -3.299 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.957 -4.713 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.125 -3.262 11.344 1.00 0.00 H new ATOM 692 N ASP A 46 -9.880 -9.506 9.479 1.00 0.00 N ATOM 693 CA ASP A 46 -10.524 -10.328 8.461 1.00 0.00 C ATOM 694 C ASP A 46 -10.516 -9.615 7.114 1.00 0.00 C ATOM 695 O ASP A 46 -10.574 -10.251 6.061 1.00 0.00 O ATOM 696 CB ASP A 46 -11.962 -10.654 8.872 1.00 0.00 C ATOM 697 CG ASP A 46 -12.031 -11.416 10.181 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.117 -10.763 11.243 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.001 -12.663 10.145 1.00 0.00 O ATOM 0 H ASP A 46 -10.521 -8.922 10.016 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.964 -11.258 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.529 -9.728 8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.437 -11.242 8.087 1.00 0.00 H new ATOM 704 N THR A 47 -10.426 -8.289 7.159 1.00 0.00 N ATOM 705 CA THR A 47 -10.306 -7.483 5.951 1.00 0.00 C ATOM 706 C THR A 47 -9.275 -6.386 6.131 1.00 0.00 C ATOM 707 O THR A 47 -8.621 -6.292 7.169 1.00 0.00 O ATOM 708 CB THR A 47 -11.644 -6.821 5.569 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.094 -5.974 6.634 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.710 -7.858 5.263 1.00 0.00 C ATOM 0 H THR A 47 -10.434 -7.749 8.024 1.00 0.00 H new ATOM 0 HA THR A 47 -9.999 -8.164 5.157 1.00 0.00 H new ATOM 0 HB THR A 47 -11.476 -6.227 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.944 -5.556 6.383 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.640 -7.356 4.997 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.383 -8.481 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.873 -8.483 6.141 1.00 0.00 H new ATOM 718 N TYR A 48 -9.158 -5.540 5.119 1.00 0.00 N ATOM 719 CA TYR A 48 -8.321 -4.360 5.208 1.00 0.00 C ATOM 720 C TYR A 48 -9.022 -3.157 4.607 1.00 0.00 C ATOM 721 O TYR A 48 -10.143 -3.260 4.106 1.00 0.00 O ATOM 722 CB TYR A 48 -7.003 -4.599 4.490 1.00 0.00 C ATOM 723 CG TYR A 48 -6.027 -5.419 5.289 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.108 -6.806 5.314 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.019 -4.803 6.013 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.203 -7.554 6.042 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.111 -5.543 6.743 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.205 -6.918 6.752 1.00 0.00 C ATOM 729 OH TYR A 48 -3.301 -7.656 7.476 1.00 0.00 O ATOM 0 H TYR A 48 -9.635 -5.652 4.225 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.126 -4.158 6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.200 -5.102 3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.548 -3.638 4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.888 -7.305 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.943 -3.726 6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.276 -8.631 6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.332 -5.048 7.304 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.639 -7.786 8.387 1.00 0.00 H new ATOM 739 N THR A 49 -8.358 -2.015 4.646 1.00 0.00 N ATOM 740 CA THR A 49 -8.925 -0.815 4.063 1.00 0.00 C ATOM 741 C THR A 49 -7.844 0.135 3.568 1.00 0.00 C ATOM 742 O THR A 49 -6.747 -0.287 3.201 1.00 0.00 O ATOM 743 CB THR A 49 -9.830 -0.070 5.062 1.00 0.00 C ATOM 744 OG1 THR A 49 -10.239 -0.954 6.113 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.057 0.490 4.362 1.00 0.00 C ATOM 0 H THR A 49 -7.438 -1.895 5.070 1.00 0.00 H new ATOM 0 HA THR A 49 -9.526 -1.143 3.215 1.00 0.00 H new ATOM 0 HB THR A 49 -9.260 0.756 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.813 -0.470 6.743 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.682 1.012 5.086 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.746 1.186 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.624 -0.326 3.914 1.00 0.00 H new ATOM 753 N MET A 50 -8.186 1.410 3.510 1.00 0.00 N ATOM 754 CA MET A 50 -7.421 2.379 2.748 1.00 0.00 C ATOM 755 C MET A 50 -6.261 2.926 3.570 1.00 0.00 C ATOM 756 O MET A 50 -5.146 3.073 3.069 1.00 0.00 O ATOM 757 CB MET A 50 -8.343 3.514 2.318 1.00 0.00 C ATOM 758 CG MET A 50 -9.790 3.082 2.168 1.00 0.00 C ATOM 759 SD MET A 50 -10.957 4.414 2.503 1.00 0.00 S ATOM 760 CE MET A 50 -12.517 3.566 2.269 1.00 0.00 C ATOM 0 H MET A 50 -8.998 1.801 3.988 1.00 0.00 H new ATOM 0 HA MET A 50 -7.004 1.889 1.868 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.285 4.319 3.051 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.991 3.920 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 50 -9.950 2.711 1.156 1.00 0.00 H new ATOM 0 HG3 MET A 50 -9.989 2.252 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.242 3.931 2.996 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.886 3.755 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 50 -12.373 2.494 2.407 1.00 0.00 H new ATOM 770 N LYS A 51 -6.531 3.224 4.836 1.00 0.00 N ATOM 771 CA LYS A 51 -5.516 3.784 5.720 1.00 0.00 C ATOM 772 C LYS A 51 -4.656 2.669 6.286 1.00 0.00 C ATOM 773 O LYS A 51 -3.448 2.827 6.473 1.00 0.00 O ATOM 774 CB LYS A 51 -6.171 4.573 6.855 1.00 0.00 C ATOM 775 CG LYS A 51 -7.138 3.751 7.692 1.00 0.00 C ATOM 776 CD LYS A 51 -7.756 4.580 8.806 1.00 0.00 C ATOM 777 CE LYS A 51 -8.717 3.755 9.646 1.00 0.00 C ATOM 778 NZ LYS A 51 -9.325 4.557 10.744 1.00 0.00 N ATOM 0 H LYS A 51 -7.443 3.087 5.272 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.887 4.464 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.392 4.973 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.703 5.425 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.926 3.353 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.614 2.897 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.968 4.982 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.284 5.431 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.506 3.356 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.188 2.902 10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.974 3.958 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.575 4.917 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.852 5.357 10.339 1.00 0.00 H new ATOM 792 N GLU A 52 -5.289 1.528 6.524 1.00 0.00 N ATOM 793 CA GLU A 52 -4.581 0.323 6.920 1.00 0.00 C ATOM 794 C GLU A 52 -3.492 -0.013 5.908 1.00 0.00 C ATOM 795 O GLU A 52 -2.304 0.109 6.200 1.00 0.00 O ATOM 796 CB GLU A 52 -5.563 -0.841 7.035 1.00 0.00 C ATOM 797 CG GLU A 52 -5.173 -1.870 8.084 1.00 0.00 C ATOM 798 CD GLU A 52 -5.226 -1.315 9.494 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.198 -0.781 9.961 1.00 0.00 O ATOM 800 OE2 GLU A 52 -6.296 -1.413 10.131 1.00 0.00 O ATOM 0 H GLU A 52 -6.300 1.414 6.448 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.113 0.495 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.551 -0.448 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.642 -1.335 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.840 -2.729 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.165 -2.230 7.877 1.00 0.00 H new ATOM 807 N VAL A 53 -3.908 -0.424 4.711 1.00 0.00 N ATOM 808 CA VAL A 53 -2.965 -0.767 3.651 1.00 0.00 C ATOM 809 C VAL A 53 -2.010 0.388 3.371 1.00 0.00 C ATOM 810 O VAL A 53 -0.866 0.174 2.969 1.00 0.00 O ATOM 811 CB VAL A 53 -3.696 -1.144 2.347 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.699 -1.498 1.254 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.658 -2.295 2.588 1.00 0.00 C ATOM 0 H VAL A 53 -4.889 -0.527 4.453 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.396 -1.629 4.000 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.271 -0.280 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.236 -1.761 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.053 -0.642 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.093 -2.345 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.165 -2.547 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.104 -3.163 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.396 -2.002 3.335 1.00 0.00 H new ATOM 823 N LEU A 54 -2.483 1.611 3.593 1.00 0.00 N ATOM 824 CA LEU A 54 -1.652 2.797 3.414 1.00 0.00 C ATOM 825 C LEU A 54 -0.322 2.636 4.147 1.00 0.00 C ATOM 826 O LEU A 54 0.715 2.392 3.527 1.00 0.00 O ATOM 827 CB LEU A 54 -2.386 4.045 3.917 1.00 0.00 C ATOM 828 CG LEU A 54 -1.893 5.383 3.353 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.491 5.701 3.851 1.00 0.00 C ATOM 830 CD2 LEU A 54 -1.929 5.368 1.832 1.00 0.00 C ATOM 0 H LEU A 54 -3.437 1.806 3.897 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.449 2.916 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.445 3.941 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.304 4.078 5.003 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.563 6.166 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.165 6.655 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.496 5.761 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.195 4.915 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.576 6.326 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.286 4.570 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.951 5.197 1.494 1.00 0.00 H new ATOM 842 N PHE A 55 -0.355 2.787 5.467 1.00 0.00 N ATOM 843 CA PHE A 55 0.867 2.770 6.259 1.00 0.00 C ATOM 844 C PHE A 55 1.426 1.356 6.369 1.00 0.00 C ATOM 845 O PHE A 55 2.639 1.167 6.389 1.00 0.00 O ATOM 846 CB PHE A 55 0.618 3.351 7.657 1.00 0.00 C ATOM 847 CG PHE A 55 -0.065 2.404 8.605 1.00 0.00 C ATOM 848 CD1 PHE A 55 -1.439 2.243 8.576 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.672 1.680 9.530 1.00 0.00 C ATOM 850 CE1 PHE A 55 -2.068 1.377 9.451 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.049 0.813 10.407 1.00 0.00 C ATOM 852 CZ PHE A 55 -1.323 0.661 10.368 1.00 0.00 C ATOM 0 H PHE A 55 -1.210 2.922 6.007 1.00 0.00 H new ATOM 0 HA PHE A 55 1.603 3.393 5.750 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.572 3.653 8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.012 4.252 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.027 2.800 7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.745 1.795 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.141 1.260 9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.635 0.255 11.122 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.812 -0.016 11.053 1.00 0.00 H new ATOM 862 N TYR A 56 0.537 0.369 6.462 1.00 0.00 N ATOM 863 CA TYR A 56 0.946 -1.007 6.729 1.00 0.00 C ATOM 864 C TYR A 56 1.798 -1.570 5.602 1.00 0.00 C ATOM 865 O TYR A 56 2.879 -2.105 5.841 1.00 0.00 O ATOM 866 CB TYR A 56 -0.271 -1.903 6.952 1.00 0.00 C ATOM 867 CG TYR A 56 -0.443 -2.332 8.389 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.662 -2.628 9.180 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.705 -2.441 8.954 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.511 -3.022 10.494 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.866 -2.836 10.268 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.754 -3.125 11.034 1.00 0.00 C ATOM 873 OH TYR A 56 -0.911 -3.517 12.345 1.00 0.00 O ATOM 0 H TYR A 56 -0.469 0.497 6.356 1.00 0.00 H new ATOM 0 HA TYR A 56 1.549 -0.990 7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.167 -1.373 6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.181 -2.789 6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.654 -2.548 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.576 -2.213 8.357 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.379 -3.248 11.096 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.855 -2.918 10.693 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.865 -3.537 12.568 1.00 0.00 H new ATOM 883 N LEU A 57 1.322 -1.443 4.372 1.00 0.00 N ATOM 884 CA LEU A 57 2.129 -1.813 3.224 1.00 0.00 C ATOM 885 C LEU A 57 3.386 -0.960 3.190 1.00 0.00 C ATOM 886 O LEU A 57 4.481 -1.462 2.947 1.00 0.00 O ATOM 887 CB LEU A 57 1.335 -1.642 1.926 1.00 0.00 C ATOM 888 CG LEU A 57 1.520 -2.755 0.887 1.00 0.00 C ATOM 889 CD1 LEU A 57 2.997 -3.001 0.613 1.00 0.00 C ATOM 890 CD2 LEU A 57 0.840 -4.032 1.349 1.00 0.00 C ATOM 0 H LEU A 57 0.392 -1.091 4.147 1.00 0.00 H new ATOM 0 HA LEU A 57 2.409 -2.863 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.276 -1.574 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.617 -0.693 1.470 1.00 0.00 H new ATOM 0 HG LEU A 57 1.053 -2.434 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.103 -3.794 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.454 -2.087 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.494 -3.298 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.981 -4.811 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.276 -4.355 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.226 -3.848 1.485 1.00 0.00 H new ATOM 902 N GLY A 58 3.223 0.325 3.488 1.00 0.00 N ATOM 903 CA GLY A 58 4.369 1.183 3.714 1.00 0.00 C ATOM 904 C GLY A 58 5.316 0.613 4.751 1.00 0.00 C ATOM 905 O GLY A 58 6.528 0.809 4.663 1.00 0.00 O ATOM 0 H GLY A 58 2.318 0.786 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.904 1.326 2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.027 2.166 4.038 1.00 0.00 H new ATOM 909 N GLN A 59 4.767 -0.103 5.732 1.00 0.00 N ATOM 910 CA GLN A 59 5.582 -0.720 6.770 1.00 0.00 C ATOM 911 C GLN A 59 6.445 -1.826 6.186 1.00 0.00 C ATOM 912 O GLN A 59 7.669 -1.718 6.167 1.00 0.00 O ATOM 913 CB GLN A 59 4.712 -1.289 7.898 1.00 0.00 C ATOM 914 CG GLN A 59 3.872 -0.250 8.623 1.00 0.00 C ATOM 915 CD GLN A 59 4.669 0.961 9.046 1.00 0.00 C ATOM 916 OE1 GLN A 59 4.872 1.896 8.271 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.104 0.952 10.291 1.00 0.00 N ATOM 0 H GLN A 59 3.765 -0.268 5.827 1.00 0.00 H new ATOM 0 HA GLN A 59 6.224 0.056 7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.050 -2.049 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.356 -1.788 8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.056 0.067 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.420 -0.706 9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.909 0.152 10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.635 1.745 10.651 1.00 0.00 H new ATOM 926 N TYR A 60 5.806 -2.904 5.734 1.00 0.00 N ATOM 927 CA TYR A 60 6.533 -4.111 5.353 1.00 0.00 C ATOM 928 C TYR A 60 7.597 -3.804 4.301 1.00 0.00 C ATOM 929 O TYR A 60 8.591 -4.516 4.186 1.00 0.00 O ATOM 930 CB TYR A 60 5.572 -5.180 4.834 1.00 0.00 C ATOM 931 CG TYR A 60 6.269 -6.423 4.338 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.569 -7.469 5.201 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.632 -6.546 3.004 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.213 -8.603 4.748 1.00 0.00 C ATOM 935 CE2 TYR A 60 7.274 -7.678 2.543 1.00 0.00 C ATOM 936 CZ TYR A 60 7.562 -8.704 3.418 1.00 0.00 C ATOM 937 OH TYR A 60 8.203 -9.832 2.962 1.00 0.00 O ATOM 0 H TYR A 60 4.794 -2.965 5.624 1.00 0.00 H new ATOM 0 HA TYR A 60 7.032 -4.492 6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.880 -5.454 5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.975 -4.759 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.294 -7.394 6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.409 -5.744 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.442 -9.407 5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.549 -7.760 1.502 1.00 0.00 H new ATOM 0 HH TYR A 60 8.123 -10.546 3.629 1.00 0.00 H new ATOM 947 N ILE A 61 7.400 -2.720 3.559 1.00 0.00 N ATOM 948 CA ILE A 61 8.450 -2.194 2.693 1.00 0.00 C ATOM 949 C ILE A 61 9.624 -1.681 3.521 1.00 0.00 C ATOM 950 O ILE A 61 10.706 -2.268 3.511 1.00 0.00 O ATOM 951 CB ILE A 61 7.927 -1.050 1.805 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.664 -1.485 1.067 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.995 -0.614 0.812 1.00 0.00 C ATOM 954 CD1 ILE A 61 5.880 -0.324 0.506 1.00 0.00 C ATOM 0 H ILE A 61 6.528 -2.191 3.539 1.00 0.00 H new ATOM 0 HA ILE A 61 8.780 -3.014 2.055 1.00 0.00 H new ATOM 0 HB ILE A 61 7.683 -0.202 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.938 -2.158 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.028 -2.050 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.608 0.195 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.875 -0.267 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.268 -1.457 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.994 -0.697 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.578 0.337 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.502 0.228 -0.199 1.00 0.00 H new ATOM 966 N MET A 62 9.400 -0.588 4.244 1.00 0.00 N ATOM 967 CA MET A 62 10.440 -0.006 5.093 1.00 0.00 C ATOM 968 C MET A 62 10.608 -0.795 6.393 1.00 0.00 C ATOM 969 O MET A 62 11.134 -0.277 7.379 1.00 0.00 O ATOM 970 CB MET A 62 10.111 1.456 5.411 1.00 0.00 C ATOM 971 CG MET A 62 8.909 1.629 6.323 1.00 0.00 C ATOM 972 SD MET A 62 8.530 3.360 6.657 1.00 0.00 S ATOM 973 CE MET A 62 10.034 3.886 7.475 1.00 0.00 C ATOM 0 H MET A 62 8.512 -0.087 4.261 1.00 0.00 H new ATOM 0 HA MET A 62 11.380 -0.053 4.543 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.979 1.921 5.878 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.927 1.989 4.478 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.041 1.153 5.867 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.096 1.114 7.265 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.838 4.792 8.049 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.378 3.099 8.146 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.802 4.088 6.729 1.00 0.00 H new ATOM 983 N THR A 63 10.171 -2.050 6.384 1.00 0.00 N ATOM 984 CA THR A 63 10.326 -2.931 7.537 1.00 0.00 C ATOM 985 C THR A 63 10.597 -4.362 7.084 1.00 0.00 C ATOM 986 O THR A 63 10.299 -4.722 5.949 1.00 0.00 O ATOM 987 CB THR A 63 9.071 -2.912 8.434 1.00 0.00 C ATOM 988 OG1 THR A 63 8.703 -1.560 8.731 1.00 0.00 O ATOM 989 CG2 THR A 63 9.316 -3.667 9.732 1.00 0.00 C ATOM 0 H THR A 63 9.704 -2.482 5.587 1.00 0.00 H new ATOM 0 HA THR A 63 11.174 -2.563 8.115 1.00 0.00 H new ATOM 0 HB THR A 63 8.262 -3.403 7.894 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.264 -1.162 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.415 -3.638 10.345 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.569 -4.703 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.139 -3.201 10.274 1.00 0.00 H new ATOM 997 N LYS A 64 11.164 -5.174 7.971 1.00 0.00 N ATOM 998 CA LYS A 64 11.460 -6.565 7.643 1.00 0.00 C ATOM 999 C LYS A 64 12.348 -6.650 6.406 1.00 0.00 C ATOM 1000 O LYS A 64 12.100 -7.456 5.510 1.00 0.00 O ATOM 1001 CB LYS A 64 10.162 -7.338 7.402 1.00 0.00 C ATOM 1002 CG LYS A 64 9.422 -7.704 8.677 1.00 0.00 C ATOM 1003 CD LYS A 64 9.988 -8.972 9.289 1.00 0.00 C ATOM 1004 CE LYS A 64 9.268 -9.338 10.576 1.00 0.00 C ATOM 1005 NZ LYS A 64 7.814 -9.571 10.353 1.00 0.00 N ATOM 0 H LYS A 64 11.426 -4.896 8.917 1.00 0.00 H new ATOM 0 HA LYS A 64 11.991 -7.009 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.505 -6.739 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.390 -8.250 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.497 -6.886 9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.363 -7.842 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.901 -9.792 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.051 -8.837 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.718 -10.235 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.400 -8.539 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.403 -10.027 11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.338 -8.662 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.684 -10.188 9.526 1.00 0.00 H new ATOM 1019 N ARG A 65 13.367 -5.795 6.352 1.00 0.00 N ATOM 1020 CA ARG A 65 14.203 -5.674 5.164 1.00 0.00 C ATOM 1021 C ARG A 65 13.359 -5.234 3.967 1.00 0.00 C ATOM 1022 O ARG A 65 12.343 -4.560 4.136 1.00 0.00 O ATOM 1023 CB ARG A 65 14.902 -7.006 4.867 1.00 0.00 C ATOM 1024 CG ARG A 65 16.218 -6.856 4.120 1.00 0.00 C ATOM 1025 CD ARG A 65 16.835 -8.206 3.800 1.00 0.00 C ATOM 1026 NE ARG A 65 17.103 -8.987 5.006 1.00 0.00 N ATOM 1027 CZ ARG A 65 17.619 -10.213 4.992 1.00 0.00 C ATOM 1028 NH1 ARG A 65 17.921 -10.796 3.840 1.00 0.00 N ATOM 1029 NH2 ARG A 65 17.833 -10.856 6.131 1.00 0.00 N ATOM 0 H ARG A 65 13.632 -5.176 7.118 1.00 0.00 H new ATOM 0 HA ARG A 65 14.966 -4.917 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.086 -7.526 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.232 -7.634 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.052 -6.303 3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.914 -6.270 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.164 -8.765 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.764 -8.058 3.250 1.00 0.00 H new ATOM 0 HE ARG A 65 16.882 -8.568 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.758 -10.304 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.317 -11.736 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.602 -10.411 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.229 -11.796 6.119 1.00 0.00 H new ATOM 1043 N LEU A 66 13.785 -5.613 2.765 1.00 0.00 N ATOM 1044 CA LEU A 66 13.056 -5.282 1.546 1.00 0.00 C ATOM 1045 C LEU A 66 13.112 -3.786 1.265 1.00 0.00 C ATOM 1046 O LEU A 66 12.141 -3.065 1.501 1.00 0.00 O ATOM 1047 CB LEU A 66 11.597 -5.743 1.641 1.00 0.00 C ATOM 1048 CG LEU A 66 11.357 -7.234 1.387 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.058 -7.678 0.115 1.00 0.00 C ATOM 1050 CD2 LEU A 66 11.816 -8.071 2.573 1.00 0.00 C ATOM 0 H LEU A 66 14.637 -6.153 2.610 1.00 0.00 H new ATOM 0 HA LEU A 66 13.536 -5.808 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.221 -5.497 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.007 -5.171 0.925 1.00 0.00 H new ATOM 0 HG LEU A 66 10.285 -7.387 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.876 -8.740 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.672 -7.109 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.130 -7.504 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.634 -9.126 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.881 -7.912 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.262 -7.775 3.464 1.00 0.00 H new ATOM 1062 N TYR A 67 14.254 -3.329 0.755 1.00 0.00 N ATOM 1063 CA TYR A 67 14.434 -1.924 0.399 1.00 0.00 C ATOM 1064 C TYR A 67 15.857 -1.674 -0.090 1.00 0.00 C ATOM 1065 O TYR A 67 16.660 -2.601 -0.196 1.00 0.00 O ATOM 1066 CB TYR A 67 14.128 -1.025 1.600 1.00 0.00 C ATOM 1067 CG TYR A 67 15.212 -1.015 2.651 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.545 -2.168 3.355 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.905 0.152 2.937 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.539 -2.151 4.316 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.898 0.177 3.894 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.212 -0.977 4.581 1.00 0.00 C ATOM 1073 OH TYR A 67 18.202 -0.955 5.537 1.00 0.00 O ATOM 0 H TYR A 67 15.071 -3.914 0.579 1.00 0.00 H new ATOM 0 HA TYR A 67 13.740 -1.684 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.969 -0.006 1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.195 -1.353 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 67 15.020 -3.089 3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.663 1.058 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.787 -3.053 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.427 1.095 4.104 1.00 0.00 H new ATOM 0 HH TYR A 67 18.576 -0.051 5.600 1.00 0.00 H new ATOM 1083 N ASP A 68 16.167 -0.413 -0.379 1.00 0.00 N ATOM 1084 CA ASP A 68 17.511 -0.034 -0.802 1.00 0.00 C ATOM 1085 C ASP A 68 18.274 0.612 0.349 1.00 0.00 C ATOM 1086 O ASP A 68 17.766 1.516 1.011 1.00 0.00 O ATOM 1087 CB ASP A 68 17.446 0.934 -1.985 1.00 0.00 C ATOM 1088 CG ASP A 68 18.820 1.356 -2.466 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.765 0.549 -2.342 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.952 2.493 -2.963 1.00 0.00 O ATOM 0 H ASP A 68 15.506 0.362 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 68 18.036 -0.938 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.906 0.463 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.878 1.818 -1.696 1.00 0.00 H new ATOM 1095 N GLU A 69 19.496 0.143 0.581 1.00 0.00 N ATOM 1096 CA GLU A 69 20.312 0.657 1.676 1.00 0.00 C ATOM 1097 C GLU A 69 20.921 2.009 1.320 1.00 0.00 C ATOM 1098 O GLU A 69 21.881 2.453 1.952 1.00 0.00 O ATOM 1099 CB GLU A 69 21.419 -0.340 2.025 1.00 0.00 C ATOM 1100 CG GLU A 69 22.352 -0.646 0.866 1.00 0.00 C ATOM 1101 CD GLU A 69 23.442 -1.631 1.238 1.00 0.00 C ATOM 1102 OE1 GLU A 69 24.519 -1.184 1.688 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.220 -2.851 1.081 1.00 0.00 O ATOM 0 H GLU A 69 19.942 -0.589 0.028 1.00 0.00 H new ATOM 0 HA GLU A 69 19.665 0.792 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.003 0.055 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.964 -1.269 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.773 -1.048 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.808 0.281 0.518 1.00 0.00 H new ATOM 1110 N LYS A 70 20.347 2.669 0.319 1.00 0.00 N ATOM 1111 CA LYS A 70 20.759 4.023 -0.039 1.00 0.00 C ATOM 1112 C LYS A 70 19.553 4.953 -0.064 1.00 0.00 C ATOM 1113 O LYS A 70 19.425 5.848 0.772 1.00 0.00 O ATOM 1114 CB LYS A 70 21.455 4.028 -1.400 1.00 0.00 C ATOM 1115 CG LYS A 70 22.705 3.163 -1.448 1.00 0.00 C ATOM 1116 CD LYS A 70 23.377 3.225 -2.810 1.00 0.00 C ATOM 1117 CE LYS A 70 23.924 4.613 -3.105 1.00 0.00 C ATOM 1118 NZ LYS A 70 24.592 4.678 -4.434 1.00 0.00 N ATOM 0 H LYS A 70 19.596 2.290 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 70 21.463 4.380 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.754 3.681 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.722 5.053 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.406 3.492 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.443 2.130 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.188 2.498 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.661 2.944 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.111 5.338 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.634 4.896 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.950 5.641 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.385 4.005 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.908 4.434 -5.179 1.00 0.00 H new ATOM 1132 N GLN A 71 18.649 4.703 -1.003 1.00 0.00 N ATOM 1133 CA GLN A 71 17.335 5.333 -0.988 1.00 0.00 C ATOM 1134 C GLN A 71 16.259 4.306 -0.655 1.00 0.00 C ATOM 1135 O GLN A 71 15.858 3.519 -1.510 1.00 0.00 O ATOM 1136 CB GLN A 71 17.039 5.981 -2.341 1.00 0.00 C ATOM 1137 CG GLN A 71 18.039 7.060 -2.731 1.00 0.00 C ATOM 1138 CD GLN A 71 17.733 7.684 -4.079 1.00 0.00 C ATOM 1139 OE1 GLN A 71 16.452 7.745 -4.430 1.00 0.00 O flip ATOM 1140 NE2 GLN A 71 18.636 8.112 -4.797 1.00 0.00 N flip ATOM 0 H GLN A 71 18.802 4.067 -1.786 1.00 0.00 H new ATOM 0 HA GLN A 71 17.333 6.107 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.032 5.209 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.040 6.415 -2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.043 7.838 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.040 6.630 -2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.606 8.046 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.414 8.533 -5.699 1.00 0.00 H new ATOM 1149 N GLN A 72 15.813 4.307 0.599 1.00 0.00 N ATOM 1150 CA GLN A 72 14.856 3.312 1.075 1.00 0.00 C ATOM 1151 C GLN A 72 13.597 3.300 0.209 1.00 0.00 C ATOM 1152 O GLN A 72 12.809 2.356 0.258 1.00 0.00 O ATOM 1153 CB GLN A 72 14.490 3.591 2.534 1.00 0.00 C ATOM 1154 CG GLN A 72 15.686 3.581 3.472 1.00 0.00 C ATOM 1155 CD GLN A 72 15.297 3.810 4.921 1.00 0.00 C ATOM 1156 OE1 GLN A 72 14.234 4.577 5.137 1.00 0.00 O flip ATOM 1157 NE2 GLN A 72 15.949 3.306 5.836 1.00 0.00 N flip ATOM 0 H GLN A 72 16.099 4.986 1.304 1.00 0.00 H new ATOM 0 HA GLN A 72 15.324 2.330 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.997 4.561 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.770 2.845 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.202 2.625 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.391 4.353 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.759 2.723 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.679 3.471 6.806 1.00 0.00 H new ATOM 1166 N HIS A 73 13.425 4.346 -0.596 1.00 0.00 N ATOM 1167 CA HIS A 73 12.328 4.405 -1.556 1.00 0.00 C ATOM 1168 C HIS A 73 12.361 3.197 -2.489 1.00 0.00 C ATOM 1169 O HIS A 73 11.324 2.604 -2.785 1.00 0.00 O ATOM 1170 CB HIS A 73 12.406 5.692 -2.379 1.00 0.00 C ATOM 1171 CG HIS A 73 12.519 6.930 -1.546 1.00 0.00 C ATOM 1172 ND1 HIS A 73 11.487 7.417 -0.773 1.00 0.00 N ATOM 1173 CD2 HIS A 73 13.555 7.784 -1.368 1.00 0.00 C ATOM 1174 CE1 HIS A 73 11.882 8.516 -0.155 1.00 0.00 C ATOM 1175 NE2 HIS A 73 13.133 8.760 -0.499 1.00 0.00 N ATOM 0 H HIS A 73 14.033 5.165 -0.602 1.00 0.00 H new ATOM 0 HA HIS A 73 11.392 4.394 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.265 5.634 -3.048 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.518 5.766 -3.007 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.531 7.711 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.283 9.113 0.517 1.00 0.00 H new ATOM 0 HE2 HIS A 73 13.695 9.546 -0.172 1.00 0.00 H new ATOM 1184 N ILE A 74 13.556 2.828 -2.944 1.00 0.00 N ATOM 1185 CA ILE A 74 13.712 1.647 -3.782 1.00 0.00 C ATOM 1186 C ILE A 74 13.616 0.385 -2.938 1.00 0.00 C ATOM 1187 O ILE A 74 14.090 0.352 -1.804 1.00 0.00 O ATOM 1188 CB ILE A 74 15.056 1.646 -4.536 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.320 3.007 -5.182 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.063 0.548 -5.590 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.236 3.453 -6.142 1.00 0.00 C ATOM 0 H ILE A 74 14.423 3.327 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 74 12.907 1.669 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 74 15.853 1.452 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.427 3.756 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.270 2.967 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.017 0.556 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.922 -0.420 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.255 0.720 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.496 4.426 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.143 2.726 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.287 3.528 -5.610 1.00 0.00 H new ATOM 1203 N VAL A 75 12.969 -0.639 -3.478 1.00 0.00 N ATOM 1204 CA VAL A 75 12.636 -1.820 -2.694 1.00 0.00 C ATOM 1205 C VAL A 75 12.980 -3.096 -3.443 1.00 0.00 C ATOM 1206 O VAL A 75 12.145 -3.652 -4.156 1.00 0.00 O ATOM 1207 CB VAL A 75 11.144 -1.843 -2.330 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.890 -2.796 -1.173 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.657 -0.443 -2.003 1.00 0.00 C ATOM 0 H VAL A 75 12.666 -0.676 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 75 13.229 -1.770 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 75 10.581 -2.204 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.827 -2.798 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.200 -3.802 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.460 -2.472 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.598 -0.477 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.222 -0.049 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.801 0.204 -2.869 1.00 0.00 H new ATOM 1219 N TYR A 76 14.212 -3.557 -3.266 1.00 0.00 N ATOM 1220 CA TYR A 76 14.652 -4.814 -3.856 1.00 0.00 C ATOM 1221 C TYR A 76 13.908 -5.996 -3.242 1.00 0.00 C ATOM 1222 O TYR A 76 13.862 -6.149 -2.023 1.00 0.00 O ATOM 1223 CB TYR A 76 16.159 -4.972 -3.662 1.00 0.00 C ATOM 1224 CG TYR A 76 16.931 -3.712 -3.978 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.636 -2.965 -5.111 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.948 -3.265 -3.144 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.337 -1.811 -5.406 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.651 -2.111 -3.431 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.342 -1.388 -4.564 1.00 0.00 C ATOM 1230 OH TYR A 76 19.042 -0.241 -4.856 1.00 0.00 O ATOM 0 H TYR A 76 14.925 -3.077 -2.717 1.00 0.00 H new ATOM 0 HA TYR A 76 14.427 -4.797 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.358 -5.264 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.519 -5.781 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.846 -3.291 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.193 -3.829 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.098 -1.243 -6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.438 -1.777 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 76 19.736 -0.100 -4.179 1.00 0.00 H new ATOM 1240 N CYS A 77 13.304 -6.815 -4.101 1.00 0.00 N ATOM 1241 CA CYS A 77 12.450 -7.906 -3.648 1.00 0.00 C ATOM 1242 C CYS A 77 12.547 -9.094 -4.600 1.00 0.00 C ATOM 1243 O CYS A 77 11.690 -9.284 -5.464 1.00 0.00 O ATOM 1244 CB CYS A 77 10.995 -7.437 -3.548 1.00 0.00 C ATOM 1245 SG CYS A 77 10.765 -5.933 -2.571 1.00 0.00 S ATOM 0 H CYS A 77 13.392 -6.742 -5.115 1.00 0.00 H new ATOM 0 HA CYS A 77 12.791 -8.219 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.611 -7.266 -4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.397 -8.236 -3.110 1.00 0.00 H new ATOM 0 HG CYS A 77 11.288 -4.923 -3.200 1.00 0.00 H new ATOM 1251 N SER A 78 13.597 -9.895 -4.428 1.00 0.00 N ATOM 1252 CA SER A 78 13.783 -11.108 -5.224 1.00 0.00 C ATOM 1253 C SER A 78 12.501 -11.927 -5.277 1.00 0.00 C ATOM 1254 O SER A 78 11.770 -11.895 -6.266 1.00 0.00 O ATOM 1255 CB SER A 78 14.921 -11.952 -4.645 1.00 0.00 C ATOM 1256 OG SER A 78 15.117 -13.132 -5.406 1.00 0.00 O ATOM 0 H SER A 78 14.334 -9.726 -3.743 1.00 0.00 H new ATOM 0 HA SER A 78 14.042 -10.810 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.841 -11.367 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.694 -12.215 -3.612 1.00 0.00 H new ATOM 0 HG SER A 78 15.850 -13.654 -5.018 1.00 0.00 H new ATOM 1262 N ASN A 79 12.220 -12.634 -4.192 1.00 0.00 N ATOM 1263 CA ASN A 79 10.927 -13.280 -4.016 1.00 0.00 C ATOM 1264 C ASN A 79 10.086 -12.508 -3.004 1.00 0.00 C ATOM 1265 O ASN A 79 9.380 -11.569 -3.366 1.00 0.00 O ATOM 1266 CB ASN A 79 11.107 -14.730 -3.561 1.00 0.00 C ATOM 1267 CG ASN A 79 11.896 -15.556 -4.559 1.00 0.00 C ATOM 1268 OD1 ASN A 79 11.857 -15.301 -5.763 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.616 -16.555 -4.063 1.00 0.00 N ATOM 0 H ASN A 79 12.871 -12.775 -3.419 1.00 0.00 H new ATOM 0 HA ASN A 79 10.408 -13.283 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.617 -14.745 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.128 -15.185 -3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.165 -17.146 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.620 -16.731 -3.058 1.00 0.00 H new ATOM 1276 N ASP A 80 10.210 -12.876 -1.733 1.00 0.00 N ATOM 1277 CA ASP A 80 9.651 -12.081 -0.643 1.00 0.00 C ATOM 1278 C ASP A 80 8.130 -11.955 -0.756 1.00 0.00 C ATOM 1279 O ASP A 80 7.538 -12.260 -1.795 1.00 0.00 O ATOM 1280 CB ASP A 80 10.296 -10.697 -0.625 1.00 0.00 C ATOM 1281 CG ASP A 80 11.808 -10.777 -0.575 1.00 0.00 C ATOM 1282 OD1 ASP A 80 12.364 -10.812 0.542 1.00 0.00 O ATOM 1283 OD2 ASP A 80 12.437 -10.808 -1.654 1.00 0.00 O ATOM 0 H ASP A 80 10.694 -13.722 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 80 9.869 -12.595 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.991 -10.143 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.934 -10.139 0.238 1.00 0.00 H new ATOM 1288 N LEU A 81 7.500 -11.504 0.325 1.00 0.00 N ATOM 1289 CA LEU A 81 6.052 -11.346 0.353 1.00 0.00 C ATOM 1290 C LEU A 81 5.605 -10.254 -0.615 1.00 0.00 C ATOM 1291 O LEU A 81 4.627 -10.423 -1.346 1.00 0.00 O ATOM 1292 CB LEU A 81 5.578 -11.021 1.770 1.00 0.00 C ATOM 1293 CG LEU A 81 5.881 -12.100 2.813 1.00 0.00 C ATOM 1294 CD1 LEU A 81 5.521 -11.609 4.207 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.132 -13.383 2.488 1.00 0.00 C ATOM 0 H LEU A 81 7.970 -11.242 1.191 1.00 0.00 H new ATOM 0 HA LEU A 81 5.603 -12.288 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.043 -10.088 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.502 -10.850 1.747 1.00 0.00 H new ATOM 0 HG LEU A 81 6.950 -12.312 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.743 -12.389 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.103 -10.718 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.459 -11.369 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.360 -14.138 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.060 -13.187 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.439 -13.745 1.507 1.00 0.00 H new ATOM 1307 N LEU A 82 6.340 -9.145 -0.636 1.00 0.00 N ATOM 1308 CA LEU A 82 6.092 -8.090 -1.610 1.00 0.00 C ATOM 1309 C LEU A 82 6.135 -8.658 -3.024 1.00 0.00 C ATOM 1310 O LEU A 82 5.523 -8.115 -3.945 1.00 0.00 O ATOM 1311 CB LEU A 82 7.128 -6.969 -1.476 1.00 0.00 C ATOM 1312 CG LEU A 82 6.554 -5.549 -1.457 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.603 -5.337 -2.628 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.844 -5.274 -0.140 1.00 0.00 C ATOM 0 H LEU A 82 7.108 -8.956 0.008 1.00 0.00 H new ATOM 0 HA LEU A 82 5.102 -7.677 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.694 -7.127 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.834 -7.047 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 82 7.382 -4.847 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.207 -4.322 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.140 -5.487 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.781 -6.050 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.444 -4.260 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.028 -5.985 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.551 -5.379 0.683 1.00 0.00 H new ATOM 1326 N GLY A 83 6.863 -9.760 -3.186 1.00 0.00 N ATOM 1327 CA GLY A 83 6.966 -10.404 -4.481 1.00 0.00 C ATOM 1328 C GLY A 83 5.695 -11.124 -4.871 1.00 0.00 C ATOM 1329 O GLY A 83 5.257 -11.041 -6.019 1.00 0.00 O ATOM 0 H GLY A 83 7.385 -10.219 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.203 -9.656 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.792 -11.115 -4.465 1.00 0.00 H new ATOM 1333 N ASP A 84 5.084 -11.818 -3.912 1.00 0.00 N ATOM 1334 CA ASP A 84 3.774 -12.422 -4.137 1.00 0.00 C ATOM 1335 C ASP A 84 2.790 -11.374 -4.650 1.00 0.00 C ATOM 1336 O ASP A 84 1.835 -11.696 -5.357 1.00 0.00 O ATOM 1337 CB ASP A 84 3.233 -13.064 -2.855 1.00 0.00 C ATOM 1338 CG ASP A 84 4.219 -14.037 -2.239 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.050 -13.602 -1.415 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.159 -15.238 -2.578 1.00 0.00 O ATOM 0 H ASP A 84 5.471 -11.974 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 84 3.889 -13.204 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.996 -12.283 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.302 -13.585 -3.077 1.00 0.00 H new ATOM 1345 N LEU A 85 3.053 -10.115 -4.314 1.00 0.00 N ATOM 1346 CA LEU A 85 2.301 -8.998 -4.876 1.00 0.00 C ATOM 1347 C LEU A 85 2.749 -8.701 -6.300 1.00 0.00 C ATOM 1348 O LEU A 85 2.107 -9.110 -7.266 1.00 0.00 O ATOM 1349 CB LEU A 85 2.482 -7.739 -4.022 1.00 0.00 C ATOM 1350 CG LEU A 85 1.844 -7.763 -2.629 1.00 0.00 C ATOM 1351 CD1 LEU A 85 0.913 -6.572 -2.467 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.096 -9.065 -2.373 1.00 0.00 C ATOM 0 H LEU A 85 3.782 -9.842 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 85 1.249 -9.283 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.550 -7.556 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.071 -6.892 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 85 2.643 -7.698 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.462 -6.595 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.479 -5.648 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.129 -6.618 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.658 -9.043 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.305 -9.182 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.789 -9.903 -2.447 1.00 0.00 H new ATOM 1364 N PHE A 86 3.839 -7.950 -6.412 1.00 0.00 N ATOM 1365 CA PHE A 86 4.258 -7.394 -7.694 1.00 0.00 C ATOM 1366 C PHE A 86 5.114 -8.391 -8.472 1.00 0.00 C ATOM 1367 O PHE A 86 4.680 -8.937 -9.486 1.00 0.00 O ATOM 1368 CB PHE A 86 5.042 -6.095 -7.483 1.00 0.00 C ATOM 1369 CG PHE A 86 4.239 -4.971 -6.878 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.947 -5.177 -6.415 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.785 -3.701 -6.774 1.00 0.00 C ATOM 1372 CE1 PHE A 86 2.220 -4.142 -5.862 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.062 -2.662 -6.222 1.00 0.00 C ATOM 1374 CZ PHE A 86 2.779 -2.883 -5.766 1.00 0.00 C ATOM 0 H PHE A 86 4.449 -7.712 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 86 3.360 -7.181 -8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.897 -6.302 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.439 -5.765 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.505 -6.160 -6.488 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.789 -3.522 -7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.216 -4.317 -5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.500 -1.678 -6.147 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.212 -2.072 -5.334 1.00 0.00 H new ATOM 1384 N GLY A 87 6.335 -8.604 -7.996 1.00 0.00 N ATOM 1385 CA GLY A 87 7.279 -9.441 -8.714 1.00 0.00 C ATOM 1386 C GLY A 87 8.513 -8.676 -9.146 1.00 0.00 C ATOM 1387 O GLY A 87 9.461 -9.259 -9.674 1.00 0.00 O ATOM 0 H GLY A 87 6.689 -8.211 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.576 -10.276 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.791 -9.865 -9.592 1.00 0.00 H new ATOM 1391 N VAL A 88 8.500 -7.365 -8.921 1.00 0.00 N ATOM 1392 CA VAL A 88 9.622 -6.510 -9.295 1.00 0.00 C ATOM 1393 C VAL A 88 10.899 -6.924 -8.570 1.00 0.00 C ATOM 1394 O VAL A 88 10.848 -7.442 -7.455 1.00 0.00 O ATOM 1395 CB VAL A 88 9.336 -5.031 -8.969 1.00 0.00 C ATOM 1396 CG1 VAL A 88 8.110 -4.539 -9.723 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.163 -4.838 -7.472 1.00 0.00 C ATOM 0 H VAL A 88 7.724 -6.871 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 88 9.756 -6.627 -10.370 1.00 0.00 H new ATOM 0 HB VAL A 88 10.191 -4.438 -9.293 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.927 -3.493 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.279 -4.636 -10.795 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.244 -5.135 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.962 -3.788 -7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.328 -5.445 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.075 -5.143 -6.958 1.00 0.00 H new ATOM 1407 N PRO A 89 12.065 -6.647 -9.175 1.00 0.00 N ATOM 1408 CA PRO A 89 13.345 -6.689 -8.470 1.00 0.00 C ATOM 1409 C PRO A 89 13.554 -5.454 -7.602 1.00 0.00 C ATOM 1410 O PRO A 89 14.444 -5.422 -6.754 1.00 0.00 O ATOM 1411 CB PRO A 89 14.362 -6.726 -9.607 1.00 0.00 C ATOM 1412 CG PRO A 89 13.708 -5.976 -10.716 1.00 0.00 C ATOM 1413 CD PRO A 89 12.227 -6.229 -10.583 1.00 0.00 C ATOM 0 HA PRO A 89 13.420 -7.535 -7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.303 -6.260 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.591 -7.750 -9.901 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.928 -4.911 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 89 14.075 -6.316 -11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.647 -5.333 -10.803 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.890 -7.004 -11.272 1.00 0.00 H new ATOM 1421 N SER A 90 12.717 -4.443 -7.821 1.00 0.00 N ATOM 1422 CA SER A 90 12.763 -3.211 -7.039 1.00 0.00 C ATOM 1423 C SER A 90 11.586 -2.307 -7.390 1.00 0.00 C ATOM 1424 O SER A 90 11.201 -2.206 -8.555 1.00 0.00 O ATOM 1425 CB SER A 90 14.074 -2.467 -7.289 1.00 0.00 C ATOM 1426 OG SER A 90 14.265 -2.216 -8.669 1.00 0.00 O ATOM 0 H SER A 90 11.993 -4.454 -8.540 1.00 0.00 H new ATOM 0 HA SER A 90 12.701 -3.479 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.070 -1.524 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.908 -3.055 -6.905 1.00 0.00 H new ATOM 0 HG SER A 90 15.110 -1.738 -8.801 1.00 0.00 H new ATOM 1432 N PHE A 91 11.030 -1.626 -6.388 1.00 0.00 N ATOM 1433 CA PHE A 91 10.012 -0.610 -6.646 1.00 0.00 C ATOM 1434 C PHE A 91 10.247 0.641 -5.807 1.00 0.00 C ATOM 1435 O PHE A 91 10.925 0.595 -4.782 1.00 0.00 O ATOM 1436 CB PHE A 91 8.606 -1.168 -6.397 1.00 0.00 C ATOM 1437 CG PHE A 91 8.284 -1.476 -4.958 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.787 -0.492 -4.115 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.449 -2.758 -4.458 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.463 -0.780 -2.804 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.131 -3.051 -3.146 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.635 -2.062 -2.318 1.00 0.00 C ATOM 0 H PHE A 91 11.263 -1.757 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 91 10.090 -0.328 -7.696 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.876 -0.450 -6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.485 -2.079 -6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.652 0.512 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.831 -3.537 -5.101 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.076 -0.005 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.270 -4.053 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.382 -2.291 -1.293 1.00 0.00 H new ATOM 1452 N SER A 92 9.700 1.763 -6.265 1.00 0.00 N ATOM 1453 CA SER A 92 9.927 3.047 -5.613 1.00 0.00 C ATOM 1454 C SER A 92 8.663 3.544 -4.918 1.00 0.00 C ATOM 1455 O SER A 92 7.685 3.913 -5.571 1.00 0.00 O ATOM 1456 CB SER A 92 10.401 4.083 -6.631 1.00 0.00 C ATOM 1457 OG SER A 92 9.489 4.194 -7.711 1.00 0.00 O ATOM 0 H SER A 92 9.096 1.808 -7.086 1.00 0.00 H new ATOM 0 HA SER A 92 10.700 2.906 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.512 5.052 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.384 3.802 -7.009 1.00 0.00 H new ATOM 0 HG SER A 92 8.576 4.057 -7.383 1.00 0.00 H new ATOM 1463 N VAL A 93 8.702 3.572 -3.591 1.00 0.00 N ATOM 1464 CA VAL A 93 7.630 4.162 -2.800 1.00 0.00 C ATOM 1465 C VAL A 93 7.713 5.685 -2.808 1.00 0.00 C ATOM 1466 O VAL A 93 6.944 6.360 -2.126 1.00 0.00 O ATOM 1467 CB VAL A 93 7.672 3.672 -1.341 1.00 0.00 C ATOM 1468 CG1 VAL A 93 6.884 2.383 -1.187 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.107 3.494 -0.876 1.00 0.00 C ATOM 0 H VAL A 93 9.469 3.190 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 93 6.693 3.846 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 93 7.206 4.429 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.926 2.053 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.846 2.555 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.314 1.615 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.114 3.147 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.606 2.760 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.632 4.447 -0.943 1.00 0.00 H new ATOM 1479 N LYS A 94 8.648 6.219 -3.586 1.00 0.00 N ATOM 1480 CA LYS A 94 8.795 7.662 -3.718 1.00 0.00 C ATOM 1481 C LYS A 94 7.874 8.202 -4.807 1.00 0.00 C ATOM 1482 O LYS A 94 7.976 9.364 -5.202 1.00 0.00 O ATOM 1483 CB LYS A 94 10.245 8.024 -4.032 1.00 0.00 C ATOM 1484 CG LYS A 94 10.757 7.384 -5.306 1.00 0.00 C ATOM 1485 CD LYS A 94 12.199 7.772 -5.589 1.00 0.00 C ATOM 1486 CE LYS A 94 12.706 7.135 -6.872 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.904 7.553 -8.056 1.00 0.00 N ATOM 0 H LYS A 94 9.314 5.674 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 94 8.515 8.119 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.332 9.107 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.878 7.717 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.681 6.300 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.128 7.686 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.277 8.857 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.830 7.465 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.750 7.410 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.673 6.050 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.411 7.297 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.982 7.072 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.758 8.582 -8.030 1.00 0.00 H new ATOM 1501 N GLU A 95 6.979 7.347 -5.293 1.00 0.00 N ATOM 1502 CA GLU A 95 6.074 7.716 -6.372 1.00 0.00 C ATOM 1503 C GLU A 95 4.623 7.687 -5.901 1.00 0.00 C ATOM 1504 O GLU A 95 3.905 8.683 -6.014 1.00 0.00 O ATOM 1505 CB GLU A 95 6.253 6.771 -7.562 1.00 0.00 C ATOM 1506 CG GLU A 95 7.679 6.711 -8.086 1.00 0.00 C ATOM 1507 CD GLU A 95 8.170 8.052 -8.599 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.976 8.335 -9.799 1.00 0.00 O ATOM 1509 OE2 GLU A 95 8.748 8.818 -7.799 1.00 0.00 O ATOM 0 H GLU A 95 6.862 6.392 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 95 6.316 8.732 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.941 5.769 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.592 7.088 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.340 6.366 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.736 5.976 -8.889 1.00 0.00 H new ATOM 1516 N HIS A 96 4.202 6.534 -5.378 1.00 0.00 N ATOM 1517 CA HIS A 96 2.835 6.346 -4.883 1.00 0.00 C ATOM 1518 C HIS A 96 1.832 6.248 -6.029 1.00 0.00 C ATOM 1519 O HIS A 96 0.810 5.573 -5.908 1.00 0.00 O ATOM 1520 CB HIS A 96 2.437 7.480 -3.935 1.00 0.00 C ATOM 1521 CG HIS A 96 3.277 7.553 -2.699 1.00 0.00 C ATOM 1522 ND1 HIS A 96 2.855 7.087 -1.473 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.521 8.050 -2.504 1.00 0.00 C ATOM 1524 CE1 HIS A 96 3.802 7.295 -0.574 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.823 7.876 -1.175 1.00 0.00 N ATOM 0 H HIS A 96 4.794 5.708 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 96 2.817 5.404 -4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.507 8.428 -4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.393 7.352 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.157 8.499 -3.253 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.749 7.034 0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.696 8.152 -0.725 1.00 0.00 H new ATOM 1534 N ARG A 97 2.130 6.910 -7.142 1.00 0.00 N ATOM 1535 CA ARG A 97 1.275 6.841 -8.319 1.00 0.00 C ATOM 1536 C ARG A 97 1.214 5.417 -8.856 1.00 0.00 C ATOM 1537 O ARG A 97 0.209 4.721 -8.699 1.00 0.00 O ATOM 1538 CB ARG A 97 1.792 7.784 -9.409 1.00 0.00 C ATOM 1539 CG ARG A 97 1.971 9.217 -8.940 1.00 0.00 C ATOM 1540 CD ARG A 97 2.477 10.112 -10.062 1.00 0.00 C ATOM 1541 NE ARG A 97 3.771 9.667 -10.573 1.00 0.00 N ATOM 1542 CZ ARG A 97 4.371 10.208 -11.631 1.00 0.00 C ATOM 1543 NH1 ARG A 97 3.794 11.207 -12.286 1.00 0.00 N ATOM 1544 NH2 ARG A 97 5.547 9.748 -12.035 1.00 0.00 N ATOM 0 H ARG A 97 2.955 7.499 -7.253 1.00 0.00 H new ATOM 0 HA ARG A 97 0.271 7.149 -8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.747 7.410 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.098 7.770 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.021 9.600 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.674 9.243 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.750 10.122 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.563 11.136 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 97 4.241 8.899 -10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.888 11.562 -11.979 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.256 11.620 -13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.993 8.979 -11.535 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.006 10.163 -12.846 1.00 0.00 H new ATOM 1558 N LYS A 98 2.301 4.987 -9.485 1.00 0.00 N ATOM 1559 CA LYS A 98 2.375 3.646 -10.049 1.00 0.00 C ATOM 1560 C LYS A 98 2.415 2.594 -8.948 1.00 0.00 C ATOM 1561 O LYS A 98 1.951 1.471 -9.136 1.00 0.00 O ATOM 1562 CB LYS A 98 3.609 3.514 -10.943 1.00 0.00 C ATOM 1563 CG LYS A 98 3.625 4.493 -12.106 1.00 0.00 C ATOM 1564 CD LYS A 98 4.874 4.326 -12.957 1.00 0.00 C ATOM 1565 CE LYS A 98 4.894 5.309 -14.116 1.00 0.00 C ATOM 1566 NZ LYS A 98 6.118 5.159 -14.950 1.00 0.00 N ATOM 0 H LYS A 98 3.143 5.548 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 98 1.481 3.482 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.503 3.666 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.657 2.498 -11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.740 4.341 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.577 5.513 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.759 4.473 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.920 3.307 -13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.011 5.157 -14.737 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.840 6.327 -13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.093 5.847 -15.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.960 5.329 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.157 4.196 -15.340 1.00 0.00 H new ATOM 1580 N ILE A 99 2.990 2.957 -7.806 1.00 0.00 N ATOM 1581 CA ILE A 99 3.229 1.993 -6.739 1.00 0.00 C ATOM 1582 C ILE A 99 1.916 1.542 -6.101 1.00 0.00 C ATOM 1583 O ILE A 99 1.786 0.395 -5.672 1.00 0.00 O ATOM 1584 CB ILE A 99 4.200 2.555 -5.666 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.258 1.509 -5.327 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.469 2.981 -4.401 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.703 0.310 -4.593 1.00 0.00 C ATOM 0 H ILE A 99 3.298 3.907 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 99 3.705 1.122 -7.190 1.00 0.00 H new ATOM 0 HB ILE A 99 4.676 3.442 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.735 1.173 -6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.034 1.972 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.188 3.368 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.744 3.758 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.951 2.123 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.509 -0.393 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.252 0.634 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.948 -0.177 -5.210 1.00 0.00 H new ATOM 1599 N TYR A 100 0.937 2.439 -6.066 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.368 2.113 -5.505 1.00 0.00 C ATOM 1601 C TYR A 100 -1.293 1.513 -6.559 1.00 0.00 C ATOM 1602 O TYR A 100 -2.163 0.703 -6.241 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.004 3.354 -4.883 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.519 3.620 -3.477 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.585 2.946 -2.973 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.165 4.532 -2.653 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.033 3.173 -1.690 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.722 4.765 -1.366 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.377 4.083 -0.888 1.00 0.00 C ATOM 1610 OH TYR A 100 0.822 4.311 0.395 1.00 0.00 O ATOM 0 H TYR A 100 1.022 3.393 -6.418 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.220 1.364 -4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.785 4.220 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.087 3.234 -4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.101 2.232 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.027 5.067 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.894 2.641 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.234 5.478 -0.737 1.00 0.00 H new ATOM 0 HH TYR A 100 0.618 5.234 0.653 1.00 0.00 H new ATOM 1620 N THR A 101 -1.093 1.904 -7.812 1.00 0.00 N ATOM 1621 CA THR A 101 -1.870 1.346 -8.911 1.00 0.00 C ATOM 1622 C THR A 101 -1.577 -0.139 -9.087 1.00 0.00 C ATOM 1623 O THR A 101 -2.425 -0.897 -9.559 1.00 0.00 O ATOM 1624 CB THR A 101 -1.585 2.083 -10.235 1.00 0.00 C ATOM 1625 OG1 THR A 101 -1.828 3.486 -10.077 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.455 1.538 -11.360 1.00 0.00 C ATOM 0 H THR A 101 -0.403 2.602 -8.091 1.00 0.00 H new ATOM 0 HA THR A 101 -2.922 1.477 -8.657 1.00 0.00 H new ATOM 0 HB THR A 101 -0.539 1.921 -10.495 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.165 3.866 -9.463 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.235 2.075 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.248 0.477 -11.499 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.506 1.672 -11.105 1.00 0.00 H new ATOM 1634 N MET A 102 -0.380 -0.552 -8.686 1.00 0.00 N ATOM 1635 CA MET A 102 -0.025 -1.965 -8.686 1.00 0.00 C ATOM 1636 C MET A 102 -0.529 -2.645 -7.425 1.00 0.00 C ATOM 1637 O MET A 102 -1.022 -3.771 -7.471 1.00 0.00 O ATOM 1638 CB MET A 102 1.489 -2.139 -8.795 1.00 0.00 C ATOM 1639 CG MET A 102 2.090 -1.399 -9.971 1.00 0.00 C ATOM 1640 SD MET A 102 3.889 -1.487 -10.006 1.00 0.00 S ATOM 1641 CE MET A 102 4.303 -0.432 -8.620 1.00 0.00 C ATOM 0 H MET A 102 0.359 0.070 -8.358 1.00 0.00 H new ATOM 0 HA MET A 102 -0.498 -2.430 -9.551 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.956 -1.787 -7.875 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.721 -3.200 -8.884 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.692 -1.814 -10.897 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.783 -0.354 -9.932 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.169 -0.840 -8.098 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.536 0.569 -8.982 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.457 -0.382 -7.935 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.408 -1.953 -6.294 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.873 -2.501 -5.029 1.00 0.00 C ATOM 1653 C ILE A 103 -2.350 -2.883 -5.110 1.00 0.00 C ATOM 1654 O ILE A 103 -2.770 -3.888 -4.537 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.665 -1.516 -3.857 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.823 -1.400 -3.520 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.453 -1.968 -2.634 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.122 -0.426 -2.399 1.00 0.00 C ATOM 0 H ILE A 103 0.004 -1.022 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.275 -3.392 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.031 -0.535 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.201 -2.384 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.365 -1.089 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.295 -1.263 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.514 -2.007 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.114 -2.958 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.196 -0.398 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.776 0.569 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.609 -0.747 -1.492 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.134 -2.075 -5.820 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.569 -2.306 -5.923 1.00 0.00 C ATOM 1672 C TYR A 104 -4.940 -2.858 -7.296 1.00 0.00 C ATOM 1673 O TYR A 104 -4.565 -2.297 -8.325 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.336 -1.011 -5.650 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.155 -0.485 -4.244 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.920 -0.978 -3.193 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.218 0.501 -3.965 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.758 -0.502 -1.906 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.049 0.982 -2.680 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.821 0.477 -1.655 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.655 0.953 -0.376 1.00 0.00 O ATOM 0 H TYR A 104 -2.799 -1.258 -6.330 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.846 -3.047 -5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.010 -0.249 -6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.397 -1.182 -5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.654 -1.747 -3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.611 0.899 -4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.362 -0.895 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.316 1.749 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.955 1.639 -0.370 1.00 0.00 H new