USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 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 26 THR OG1 : rot 25:sc= 0.117 USER MOD Set 1.2: A 50 MET CE :methyl -127:sc= 0 (180deg=-2.1!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0496 (180deg=-0.265) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0622 (180deg=-0.315) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 131:sc= 1.23 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 0.0235 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 48 TYR OH : rot 97:sc= -2.61! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.337 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc=-0.00739 (180deg=-1.46!) USER MOD Single : A 56 TYR OH : rot -24:sc= 1.21 USER MOD Single : A 59 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.4) USER MOD Single : A 60 TYR OH : rot 20:sc= -2.16! USER MOD Single : A 62 MET CE :methyl 180:sc= -2.36 (180deg=-2.36) USER MOD Single : A 63 THR OG1 : rot 28:sc= 0.123 USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= -0.403 (180deg=-0.427) 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 : amide:sc= -1.79! C(o=-1.8!,f=-4.7!) USER MOD Single : A 72 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.8!) USER MOD Single : A 73 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2.2) USER MOD Single : A 76 TYR OH : rot 154:sc= 1.21 USER MOD Single : A 77 CYS SG : rot -100:sc= -1.3 USER MOD Single : A 78 SER OG : rot -37:sc= 0.808 USER MOD Single : A 79 ASN : amide:sc= -0.0548 K(o=-0.055,f=-0.64) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.35) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.041 (180deg=-0.277) USER MOD Single : A 100 TYR OH : rot 110:sc= -1.83! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 131:sc= -7.51! (180deg=-11.6!) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.082 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.192 2.224 -0.713 1.00 0.00 N ATOM 348 CA THR A 26 -11.496 0.815 -0.914 1.00 0.00 C ATOM 349 C THR A 26 -11.428 0.075 0.405 1.00 0.00 C ATOM 350 O THR A 26 -10.349 -0.090 0.976 1.00 0.00 O ATOM 351 CB THR A 26 -10.526 0.151 -1.908 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.485 0.897 -3.129 1.00 0.00 O ATOM 353 CG2 THR A 26 -10.949 -1.281 -2.196 1.00 0.00 C ATOM 0 HA THR A 26 -12.503 0.760 -1.328 1.00 0.00 H new ATOM 0 HB THR A 26 -9.532 0.139 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.741 1.826 -2.953 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.250 -1.732 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.950 -1.854 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.951 -1.285 -2.626 1.00 0.00 H new ATOM 361 N LEU A 27 -12.577 -0.364 0.900 1.00 0.00 N ATOM 362 CA LEU A 27 -12.608 -1.071 2.159 1.00 0.00 C ATOM 363 C LEU A 27 -12.143 -2.491 1.941 1.00 0.00 C ATOM 364 O LEU A 27 -12.944 -3.422 1.848 1.00 0.00 O ATOM 365 CB LEU A 27 -13.995 -1.045 2.790 1.00 0.00 C ATOM 366 CG LEU A 27 -13.971 -0.826 4.299 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.915 -1.717 4.932 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.679 0.633 4.614 1.00 0.00 C ATOM 0 H LEU A 27 -13.485 -0.242 0.451 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.936 -0.569 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.583 -0.253 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.501 -1.986 2.575 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.948 -1.083 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.902 -1.556 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.147 -2.761 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.937 -1.473 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.665 0.776 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.709 0.908 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.453 1.262 4.175 1.00 0.00 H new ATOM 380 N VAL A 28 -10.841 -2.621 1.763 1.00 0.00 N ATOM 381 CA VAL A 28 -10.277 -3.742 1.050 1.00 0.00 C ATOM 382 C VAL A 28 -10.689 -5.053 1.662 1.00 0.00 C ATOM 383 O VAL A 28 -10.903 -5.151 2.871 1.00 0.00 O ATOM 384 CB VAL A 28 -8.750 -3.652 1.011 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.125 -5.002 0.687 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.351 -2.607 -0.002 1.00 0.00 C ATOM 0 H VAL A 28 -10.151 -1.954 2.108 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.665 -3.700 0.032 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.380 -3.362 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.040 -4.905 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.410 -5.727 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.477 -5.342 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.264 -2.533 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.730 -2.889 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.771 -1.643 0.285 1.00 0.00 H new ATOM 396 N ARG A 29 -10.789 -6.064 0.822 1.00 0.00 N ATOM 397 CA ARG A 29 -11.115 -7.376 1.302 1.00 0.00 C ATOM 398 C ARG A 29 -10.084 -8.402 0.835 1.00 0.00 C ATOM 399 O ARG A 29 -9.784 -8.500 -0.354 1.00 0.00 O ATOM 400 CB ARG A 29 -12.524 -7.765 0.856 1.00 0.00 C ATOM 401 CG ARG A 29 -13.550 -6.659 1.073 1.00 0.00 C ATOM 402 CD ARG A 29 -14.940 -7.094 0.637 1.00 0.00 C ATOM 403 NE ARG A 29 -15.410 -8.258 1.385 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.606 -8.812 1.213 1.00 0.00 C ATOM 405 NH1 ARG A 29 -17.451 -8.312 0.322 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.959 -9.868 1.933 1.00 0.00 N ATOM 0 H ARG A 29 -10.649 -5.996 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.092 -7.362 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.503 -8.030 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.838 -8.655 1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.569 -6.380 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.253 -5.772 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.638 -6.268 0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.929 -7.328 -0.428 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.785 -8.669 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.184 -7.500 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.368 -8.740 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.313 -10.256 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.877 -10.292 1.800 1.00 0.00 H new ATOM 420 N PRO A 30 -9.507 -9.151 1.796 1.00 0.00 N ATOM 421 CA PRO A 30 -8.374 -10.045 1.586 1.00 0.00 C ATOM 422 C PRO A 30 -8.324 -10.668 0.197 1.00 0.00 C ATOM 423 O PRO A 30 -8.917 -11.718 -0.051 1.00 0.00 O ATOM 424 CB PRO A 30 -8.591 -11.130 2.656 1.00 0.00 C ATOM 425 CG PRO A 30 -9.677 -10.615 3.562 1.00 0.00 C ATOM 426 CD PRO A 30 -9.900 -9.174 3.198 1.00 0.00 C ATOM 0 HA PRO A 30 -7.428 -9.509 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.882 -12.076 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.673 -11.315 3.214 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.593 -11.192 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.385 -10.709 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.939 -8.875 3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.292 -8.502 3.803 1.00 0.00 H new ATOM 434 N LYS A 31 -7.534 -10.055 -0.679 1.00 0.00 N ATOM 435 CA LYS A 31 -6.982 -10.753 -1.832 1.00 0.00 C ATOM 436 C LYS A 31 -5.561 -11.220 -1.525 1.00 0.00 C ATOM 437 O LYS A 31 -4.603 -10.470 -1.710 1.00 0.00 O ATOM 438 CB LYS A 31 -6.981 -9.839 -3.061 1.00 0.00 C ATOM 439 CG LYS A 31 -6.450 -10.508 -4.318 1.00 0.00 C ATOM 440 CD LYS A 31 -6.469 -9.558 -5.505 1.00 0.00 C ATOM 441 CE LYS A 31 -5.950 -10.230 -6.766 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.774 -11.412 -7.145 1.00 0.00 N ATOM 0 H LYS A 31 -7.262 -9.074 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.605 -11.621 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.998 -9.492 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.378 -8.957 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.431 -10.855 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.052 -11.388 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.486 -9.204 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.860 -8.682 -5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.947 -9.511 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.917 -10.542 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.556 -11.687 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.559 -12.204 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.783 -11.171 -7.070 1.00 0.00 H new ATOM 456 N PRO A 32 -5.421 -12.447 -0.983 1.00 0.00 N ATOM 457 CA PRO A 32 -4.198 -12.885 -0.297 1.00 0.00 C ATOM 458 C PRO A 32 -2.923 -12.547 -1.064 1.00 0.00 C ATOM 459 O PRO A 32 -2.436 -13.349 -1.859 1.00 0.00 O ATOM 460 CB PRO A 32 -4.382 -14.398 -0.205 1.00 0.00 C ATOM 461 CG PRO A 32 -5.857 -14.590 -0.128 1.00 0.00 C ATOM 462 CD PRO A 32 -6.468 -13.488 -0.954 1.00 0.00 C ATOM 0 HA PRO A 32 -4.074 -12.387 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.961 -14.903 -1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.882 -14.806 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.143 -15.569 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.203 -14.540 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.718 -13.832 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.389 -13.116 -0.506 1.00 0.00 H new ATOM 470 N LEU A 33 -2.374 -11.363 -0.796 1.00 0.00 N ATOM 471 CA LEU A 33 -1.098 -10.957 -1.381 1.00 0.00 C ATOM 472 C LEU A 33 -0.404 -9.909 -0.518 1.00 0.00 C ATOM 473 O LEU A 33 0.812 -9.742 -0.593 1.00 0.00 O ATOM 474 CB LEU A 33 -1.300 -10.407 -2.796 1.00 0.00 C ATOM 475 CG LEU A 33 -1.523 -11.461 -3.885 1.00 0.00 C ATOM 476 CD1 LEU A 33 -1.764 -10.794 -5.228 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.332 -12.407 -3.965 1.00 0.00 C ATOM 0 H LEU A 33 -2.793 -10.669 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.464 -11.843 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.156 -9.732 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.427 -9.811 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.407 -12.043 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.921 -11.557 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.647 -10.158 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.898 -10.188 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.508 -13.149 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.568 -11.840 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.202 -12.911 -3.007 1.00 0.00 H new ATOM 489 N LEU A 34 -1.180 -9.198 0.293 1.00 0.00 N ATOM 490 CA LEU A 34 -0.646 -8.119 1.105 1.00 0.00 C ATOM 491 C LEU A 34 -0.885 -8.418 2.567 1.00 0.00 C ATOM 492 O LEU A 34 -0.395 -7.717 3.449 1.00 0.00 O ATOM 493 CB LEU A 34 -1.315 -6.800 0.732 1.00 0.00 C ATOM 494 CG LEU A 34 -1.120 -6.372 -0.717 1.00 0.00 C ATOM 495 CD1 LEU A 34 -2.420 -5.834 -1.288 1.00 0.00 C ATOM 496 CD2 LEU A 34 -0.015 -5.333 -0.810 1.00 0.00 C ATOM 0 H LEU A 34 -2.182 -9.353 0.403 1.00 0.00 H new ATOM 0 HA LEU A 34 0.425 -8.034 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.384 -6.882 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.928 -6.016 1.383 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.825 -7.240 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.265 -5.532 -2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.184 -6.610 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.745 -4.973 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.116 -5.034 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.284 -4.462 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.916 -5.757 -0.434 1.00 0.00 H new ATOM 508 N LEU A 35 -1.675 -9.454 2.806 1.00 0.00 N ATOM 509 CA LEU A 35 -2.141 -9.755 4.143 1.00 0.00 C ATOM 510 C LEU A 35 -1.257 -10.812 4.785 1.00 0.00 C ATOM 511 O LEU A 35 -1.033 -10.800 5.994 1.00 0.00 O ATOM 512 CB LEU A 35 -3.592 -10.217 4.092 1.00 0.00 C ATOM 513 CG LEU A 35 -4.458 -9.424 3.117 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.531 -10.140 1.779 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.843 -9.205 3.694 1.00 0.00 C ATOM 0 H LEU A 35 -2.005 -10.099 2.088 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.085 -8.853 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.618 -11.270 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.023 -10.141 5.090 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.003 -8.447 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.151 -9.565 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.528 -10.240 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.966 -11.129 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.447 -8.638 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.315 -10.169 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.764 -8.650 4.629 1.00 0.00 H new ATOM 527 N LYS A 36 -0.685 -11.669 3.950 1.00 0.00 N ATOM 528 CA LYS A 36 0.532 -12.376 4.307 1.00 0.00 C ATOM 529 C LYS A 36 1.696 -11.398 4.393 1.00 0.00 C ATOM 530 O LYS A 36 2.783 -11.741 4.858 1.00 0.00 O ATOM 531 CB LYS A 36 0.835 -13.458 3.273 1.00 0.00 C ATOM 532 CG LYS A 36 -0.104 -14.652 3.346 1.00 0.00 C ATOM 533 CD LYS A 36 0.229 -15.693 2.289 1.00 0.00 C ATOM 534 CE LYS A 36 1.598 -16.312 2.522 1.00 0.00 C ATOM 535 NZ LYS A 36 1.687 -16.985 3.846 1.00 0.00 N ATOM 0 H LYS A 36 -1.046 -11.890 3.022 1.00 0.00 H new ATOM 0 HA LYS A 36 0.392 -12.848 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.777 -13.022 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.860 -13.804 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.041 -15.105 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.132 -14.315 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.530 -16.475 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.201 -15.231 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.808 -17.034 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.362 -15.537 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.534 -17.589 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.750 -16.268 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.840 -17.570 3.996 1.00 0.00 H new ATOM 549 N LEU A 37 1.455 -10.173 3.930 1.00 0.00 N ATOM 550 CA LEU A 37 2.472 -9.141 3.916 1.00 0.00 C ATOM 551 C LEU A 37 2.169 -8.088 4.982 1.00 0.00 C ATOM 552 O LEU A 37 2.952 -7.163 5.201 1.00 0.00 O ATOM 553 CB LEU A 37 2.520 -8.506 2.524 1.00 0.00 C ATOM 554 CG LEU A 37 3.554 -7.404 2.344 1.00 0.00 C ATOM 555 CD1 LEU A 37 4.337 -7.604 1.057 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.857 -6.064 2.346 1.00 0.00 C ATOM 0 H LEU A 37 0.553 -9.876 3.558 1.00 0.00 H new ATOM 0 HA LEU A 37 3.444 -9.579 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.718 -9.290 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.535 -8.098 2.295 1.00 0.00 H new ATOM 0 HG LEU A 37 4.264 -7.440 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.070 -6.805 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.850 -8.565 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.653 -7.586 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.593 -5.271 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.137 -6.027 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.337 -5.926 3.294 1.00 0.00 H new ATOM 568 N LEU A 38 1.022 -8.242 5.640 1.00 0.00 N ATOM 569 CA LEU A 38 0.568 -7.279 6.638 1.00 0.00 C ATOM 570 C LEU A 38 0.289 -7.959 7.974 1.00 0.00 C ATOM 571 O LEU A 38 0.859 -7.589 8.998 1.00 0.00 O ATOM 572 CB LEU A 38 -0.692 -6.564 6.146 1.00 0.00 C ATOM 573 CG LEU A 38 -0.481 -5.132 5.648 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.784 -5.025 4.811 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.684 -4.678 4.841 1.00 0.00 C ATOM 0 H LEU A 38 0.388 -9.029 5.498 1.00 0.00 H new ATOM 0 HA LEU A 38 1.363 -6.549 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.131 -7.151 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.419 -6.545 6.958 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.368 -4.483 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.909 -3.997 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.645 -5.315 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.706 -5.686 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.524 -3.658 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.818 -5.338 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.576 -4.711 5.467 1.00 0.00 H new ATOM 587 N LYS A 39 -0.583 -8.963 7.957 1.00 0.00 N ATOM 588 CA LYS A 39 -0.860 -9.752 9.155 1.00 0.00 C ATOM 589 C LYS A 39 0.437 -10.285 9.755 1.00 0.00 C ATOM 590 O LYS A 39 0.480 -10.677 10.921 1.00 0.00 O ATOM 591 CB LYS A 39 -1.802 -10.911 8.826 1.00 0.00 C ATOM 592 CG LYS A 39 -3.136 -10.463 8.252 1.00 0.00 C ATOM 593 CD LYS A 39 -4.011 -11.648 7.882 1.00 0.00 C ATOM 594 CE LYS A 39 -5.334 -11.201 7.281 1.00 0.00 C ATOM 595 NZ LYS A 39 -6.206 -12.355 6.930 1.00 0.00 N ATOM 0 H LYS A 39 -1.108 -9.249 7.131 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.344 -9.105 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.313 -11.575 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.981 -11.491 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.655 -9.840 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.965 -9.847 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.483 -12.282 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.200 -12.253 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.854 -10.556 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.144 -10.606 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.097 -12.006 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.721 -12.958 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.410 -12.909 7.786 1.00 0.00 H new ATOM 609 N SER A 40 1.497 -10.276 8.950 1.00 0.00 N ATOM 610 CA SER A 40 2.823 -10.656 9.423 1.00 0.00 C ATOM 611 C SER A 40 3.466 -9.526 10.226 1.00 0.00 C ATOM 612 O SER A 40 3.932 -9.739 11.346 1.00 0.00 O ATOM 613 CB SER A 40 3.720 -11.030 8.243 1.00 0.00 C ATOM 614 OG SER A 40 3.186 -12.128 7.524 1.00 0.00 O ATOM 0 H SER A 40 1.462 -10.009 7.966 1.00 0.00 H new ATOM 0 HA SER A 40 2.711 -11.521 10.077 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.827 -10.173 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.717 -11.279 8.605 1.00 0.00 H new ATOM 0 HG SER A 40 3.170 -11.916 6.567 1.00 0.00 H new ATOM 620 N VAL A 41 3.504 -8.329 9.644 1.00 0.00 N ATOM 621 CA VAL A 41 4.190 -7.200 10.264 1.00 0.00 C ATOM 622 C VAL A 41 3.483 -6.748 11.541 1.00 0.00 C ATOM 623 O VAL A 41 4.134 -6.366 12.514 1.00 0.00 O ATOM 624 CB VAL A 41 4.321 -6.007 9.287 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.055 -5.827 8.467 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.648 -4.727 10.035 1.00 0.00 C ATOM 0 H VAL A 41 3.069 -8.117 8.746 1.00 0.00 H new ATOM 0 HA VAL A 41 5.190 -7.546 10.524 1.00 0.00 H new ATOM 0 HB VAL A 41 5.141 -6.230 8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.177 -4.982 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.865 -6.731 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.213 -5.639 9.134 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.735 -3.903 9.326 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.853 -4.509 10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.591 -4.848 10.568 1.00 0.00 H new ATOM 636 N GLY A 42 2.153 -6.813 11.545 1.00 0.00 N ATOM 637 CA GLY A 42 1.408 -6.506 12.754 1.00 0.00 C ATOM 638 C GLY A 42 -0.047 -6.181 12.486 1.00 0.00 C ATOM 639 O GLY A 42 -0.698 -5.513 13.289 1.00 0.00 O ATOM 0 H GLY A 42 1.582 -7.071 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.465 -7.355 13.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.877 -5.661 13.258 1.00 0.00 H new ATOM 643 N ALA A 43 -0.566 -6.664 11.363 1.00 0.00 N ATOM 644 CA ALA A 43 -1.972 -6.475 11.027 1.00 0.00 C ATOM 645 C ALA A 43 -2.838 -7.547 11.683 1.00 0.00 C ATOM 646 O ALA A 43 -2.372 -8.655 11.950 1.00 0.00 O ATOM 647 CB ALA A 43 -2.160 -6.487 9.518 1.00 0.00 C ATOM 0 H ALA A 43 -0.034 -7.190 10.670 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.288 -5.505 11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.215 -6.345 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.576 -5.682 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.824 -7.443 9.117 1.00 0.00 H new ATOM 653 N GLN A 44 -4.090 -7.200 11.974 1.00 0.00 N ATOM 654 CA GLN A 44 -4.948 -8.057 12.787 1.00 0.00 C ATOM 655 C GLN A 44 -6.247 -8.399 12.063 1.00 0.00 C ATOM 656 O GLN A 44 -6.570 -9.572 11.877 1.00 0.00 O ATOM 657 CB GLN A 44 -5.260 -7.377 14.121 1.00 0.00 C ATOM 658 CG GLN A 44 -6.093 -8.233 15.061 1.00 0.00 C ATOM 659 CD GLN A 44 -6.396 -7.535 16.373 1.00 0.00 C ATOM 660 OE1 GLN A 44 -6.497 -6.310 16.428 1.00 0.00 O ATOM 661 NE2 GLN A 44 -6.540 -8.315 17.439 1.00 0.00 N ATOM 0 H GLN A 44 -4.531 -6.335 11.660 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.410 -8.987 12.970 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.323 -7.117 14.614 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.789 -6.444 13.928 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.029 -8.499 14.570 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.564 -9.164 15.263 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.448 -9.327 17.347 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.743 -7.902 18.349 1.00 0.00 H new ATOM 670 N LYS A 45 -7.006 -7.372 11.689 1.00 0.00 N ATOM 671 CA LYS A 45 -8.360 -7.569 11.177 1.00 0.00 C ATOM 672 C LYS A 45 -8.357 -8.466 9.946 1.00 0.00 C ATOM 673 O LYS A 45 -7.307 -8.738 9.363 1.00 0.00 O ATOM 674 CB LYS A 45 -9.006 -6.225 10.826 1.00 0.00 C ATOM 675 CG LYS A 45 -8.717 -5.126 11.836 1.00 0.00 C ATOM 676 CD LYS A 45 -9.357 -3.807 11.428 1.00 0.00 C ATOM 677 CE LYS A 45 -8.754 -3.265 10.141 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.371 -1.970 9.739 1.00 0.00 N ATOM 0 H LYS A 45 -6.708 -6.397 11.731 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.940 -8.053 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.652 -5.907 9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.085 -6.360 10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.090 -5.424 12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.639 -4.994 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.430 -3.948 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.227 -3.077 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.680 -3.130 10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.888 -3.994 9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.838 -2.080 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.073 -1.684 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.633 -1.241 9.669 1.00 0.00 H new ATOM 692 N ASP A 46 -9.545 -8.908 9.544 1.00 0.00 N ATOM 693 CA ASP A 46 -9.695 -9.684 8.320 1.00 0.00 C ATOM 694 C ASP A 46 -9.598 -8.782 7.095 1.00 0.00 C ATOM 695 O ASP A 46 -8.978 -9.142 6.095 1.00 0.00 O ATOM 696 CB ASP A 46 -11.036 -10.423 8.321 1.00 0.00 C ATOM 697 CG ASP A 46 -11.168 -11.377 9.491 1.00 0.00 C ATOM 698 OD1 ASP A 46 -10.776 -12.555 9.344 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.665 -10.948 10.553 1.00 0.00 O ATOM 0 H ASP A 46 -10.416 -8.742 10.048 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.887 -10.415 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.848 -9.697 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.143 -10.978 7.389 1.00 0.00 H new ATOM 704 N THR A 47 -10.217 -7.607 7.182 1.00 0.00 N ATOM 705 CA THR A 47 -10.223 -6.663 6.071 1.00 0.00 C ATOM 706 C THR A 47 -9.226 -5.541 6.292 1.00 0.00 C ATOM 707 O THR A 47 -8.465 -5.545 7.261 1.00 0.00 O ATOM 708 CB THR A 47 -11.616 -6.039 5.859 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.238 -5.788 7.124 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.502 -6.943 5.020 1.00 0.00 C ATOM 0 H THR A 47 -10.720 -7.288 8.010 1.00 0.00 H new ATOM 0 HA THR A 47 -9.944 -7.234 5.186 1.00 0.00 H new ATOM 0 HB THR A 47 -11.486 -5.098 5.324 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.122 -5.390 6.981 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.478 -6.475 4.888 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.041 -7.102 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.624 -7.902 5.524 1.00 0.00 H new ATOM 718 N TYR A 48 -9.232 -4.586 5.373 1.00 0.00 N ATOM 719 CA TYR A 48 -8.268 -3.498 5.387 1.00 0.00 C ATOM 720 C TYR A 48 -8.837 -2.263 4.716 1.00 0.00 C ATOM 721 O TYR A 48 -9.989 -2.247 4.285 1.00 0.00 O ATOM 722 CB TYR A 48 -6.993 -3.911 4.659 1.00 0.00 C ATOM 723 CG TYR A 48 -6.127 -4.862 5.440 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.226 -4.391 6.383 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.203 -6.229 5.225 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.423 -5.262 7.095 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.403 -7.102 5.932 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.518 -6.619 6.860 1.00 0.00 C ATOM 729 OH TYR A 48 -3.728 -7.501 7.555 1.00 0.00 O ATOM 0 H TYR A 48 -9.900 -4.544 4.603 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.041 -3.269 6.428 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.262 -4.375 3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.415 -3.018 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.151 -3.329 6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.898 -6.616 4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.727 -4.884 7.829 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.474 -8.165 5.754 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.231 -7.863 8.314 1.00 0.00 H new ATOM 739 N THR A 49 -7.989 -1.258 4.567 1.00 0.00 N ATOM 740 CA THR A 49 -8.221 -0.204 3.592 1.00 0.00 C ATOM 741 C THR A 49 -6.905 0.200 2.935 1.00 0.00 C ATOM 742 O THR A 49 -5.842 -0.260 3.343 1.00 0.00 O ATOM 743 CB THR A 49 -8.873 1.039 4.229 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.932 1.703 5.084 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.108 0.658 5.032 1.00 0.00 C ATOM 0 H THR A 49 -7.132 -1.150 5.110 1.00 0.00 H new ATOM 0 HA THR A 49 -8.907 -0.601 2.844 1.00 0.00 H new ATOM 0 HB THR A 49 -9.175 1.711 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.353 2.492 5.483 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.548 1.554 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.836 0.180 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.827 -0.034 5.826 1.00 0.00 H new ATOM 753 N MET A 50 -6.974 1.053 1.921 1.00 0.00 N ATOM 754 CA MET A 50 -5.767 1.497 1.228 1.00 0.00 C ATOM 755 C MET A 50 -4.961 2.462 2.091 1.00 0.00 C ATOM 756 O MET A 50 -3.820 2.790 1.768 1.00 0.00 O ATOM 757 CB MET A 50 -6.122 2.154 -0.106 1.00 0.00 C ATOM 758 CG MET A 50 -6.395 1.155 -1.221 1.00 0.00 C ATOM 759 SD MET A 50 -6.727 1.952 -2.804 1.00 0.00 S ATOM 760 CE MET A 50 -7.061 0.526 -3.835 1.00 0.00 C ATOM 0 H MET A 50 -7.842 1.449 1.561 1.00 0.00 H new ATOM 0 HA MET A 50 -5.153 0.618 1.034 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.001 2.783 0.031 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.305 2.809 -0.408 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.537 0.491 -1.326 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.247 0.534 -0.946 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.426 0.560 -4.720 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.853 -0.385 -3.274 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.108 0.534 -4.139 1.00 0.00 H new ATOM 770 N LYS A 51 -5.552 2.897 3.201 1.00 0.00 N ATOM 771 CA LYS A 51 -4.850 3.752 4.152 1.00 0.00 C ATOM 772 C LYS A 51 -4.177 2.901 5.217 1.00 0.00 C ATOM 773 O LYS A 51 -2.986 3.059 5.500 1.00 0.00 O ATOM 774 CB LYS A 51 -5.824 4.736 4.804 1.00 0.00 C ATOM 775 CG LYS A 51 -6.459 5.708 3.820 1.00 0.00 C ATOM 776 CD LYS A 51 -5.432 6.661 3.226 1.00 0.00 C ATOM 777 CE LYS A 51 -4.838 7.574 4.287 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.841 8.519 3.709 1.00 0.00 N ATOM 0 H LYS A 51 -6.512 2.672 3.463 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.089 4.319 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.612 4.175 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.296 5.302 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.943 5.150 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.237 6.280 4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.636 6.089 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.901 7.263 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.636 8.138 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.362 6.971 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.060 8.654 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.468 8.129 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.298 9.434 3.521 1.00 0.00 H new ATOM 792 N GLU A 52 -4.938 1.959 5.760 1.00 0.00 N ATOM 793 CA GLU A 52 -4.376 0.874 6.549 1.00 0.00 C ATOM 794 C GLU A 52 -3.143 0.305 5.858 1.00 0.00 C ATOM 795 O GLU A 52 -2.037 0.365 6.392 1.00 0.00 O ATOM 796 CB GLU A 52 -5.420 -0.228 6.729 1.00 0.00 C ATOM 797 CG GLU A 52 -5.216 -1.071 7.978 1.00 0.00 C ATOM 798 CD GLU A 52 -5.418 -0.283 9.256 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.577 -0.175 9.711 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.419 0.226 9.804 1.00 0.00 O ATOM 0 H GLU A 52 -5.953 1.926 5.666 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.087 1.262 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.410 0.226 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.401 -0.880 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.910 -1.912 7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.209 -1.488 7.969 1.00 0.00 H new ATOM 807 N VAL A 53 -3.348 -0.240 4.663 1.00 0.00 N ATOM 808 CA VAL A 53 -2.268 -0.838 3.891 1.00 0.00 C ATOM 809 C VAL A 53 -1.220 0.200 3.507 1.00 0.00 C ATOM 810 O VAL A 53 -0.046 -0.127 3.348 1.00 0.00 O ATOM 811 CB VAL A 53 -2.799 -1.514 2.610 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.666 -2.175 1.842 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.879 -2.527 2.951 1.00 0.00 C ATOM 0 H VAL A 53 -4.260 -0.279 4.207 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.808 -1.593 4.529 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.238 -0.746 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.062 -2.646 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.928 -1.423 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.194 -2.931 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.242 -2.994 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.466 -3.291 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.705 -2.023 3.453 1.00 0.00 H new ATOM 823 N LEU A 54 -1.642 1.454 3.364 1.00 0.00 N ATOM 824 CA LEU A 54 -0.707 2.535 3.070 1.00 0.00 C ATOM 825 C LEU A 54 0.500 2.463 4.001 1.00 0.00 C ATOM 826 O LEU A 54 1.618 2.178 3.564 1.00 0.00 O ATOM 827 CB LEU A 54 -1.400 3.897 3.202 1.00 0.00 C ATOM 828 CG LEU A 54 -0.639 5.084 2.602 1.00 0.00 C ATOM 829 CD1 LEU A 54 -1.590 6.245 2.344 1.00 0.00 C ATOM 830 CD2 LEU A 54 0.492 5.521 3.519 1.00 0.00 C ATOM 0 H LEU A 54 -2.616 1.744 3.446 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.362 2.421 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.378 3.836 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.574 4.096 4.260 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.205 4.768 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.036 7.081 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.367 5.931 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.049 6.555 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.018 6.365 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.083 5.819 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.187 4.693 3.659 1.00 0.00 H new ATOM 842 N PHE A 55 0.271 2.722 5.285 1.00 0.00 N ATOM 843 CA PHE A 55 1.364 2.760 6.251 1.00 0.00 C ATOM 844 C PHE A 55 1.761 1.356 6.701 1.00 0.00 C ATOM 845 O PHE A 55 2.892 1.141 7.132 1.00 0.00 O ATOM 846 CB PHE A 55 0.992 3.623 7.461 1.00 0.00 C ATOM 847 CG PHE A 55 -0.332 3.282 8.081 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.474 2.160 8.881 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.437 4.092 7.869 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.692 1.851 9.456 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.657 3.789 8.441 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.785 2.666 9.235 1.00 0.00 C ATOM 0 H PHE A 55 -0.652 2.907 5.678 1.00 0.00 H new ATOM 0 HA PHE A 55 2.224 3.209 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.771 3.522 8.217 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.978 4.669 7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.377 1.519 9.057 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.343 4.971 7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.789 0.973 10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.510 4.429 8.268 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.738 2.426 9.682 1.00 0.00 H new ATOM 862 N TYR A 56 0.836 0.404 6.598 1.00 0.00 N ATOM 863 CA TYR A 56 1.114 -0.976 7.000 1.00 0.00 C ATOM 864 C TYR A 56 2.075 -1.650 6.031 1.00 0.00 C ATOM 865 O TYR A 56 3.118 -2.162 6.433 1.00 0.00 O ATOM 866 CB TYR A 56 -0.175 -1.790 7.100 1.00 0.00 C ATOM 867 CG TYR A 56 -0.536 -2.162 8.520 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.436 -2.601 9.411 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.846 -2.073 8.970 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.112 -2.941 10.710 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.180 -2.411 10.266 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.198 -2.846 11.133 1.00 0.00 C ATOM 873 OH TYR A 56 -1.527 -3.182 12.426 1.00 0.00 O ATOM 0 H TYR A 56 -0.107 0.560 6.242 1.00 0.00 H new ATOM 0 HA TYR A 56 1.582 -0.938 7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.993 -1.218 6.662 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.069 -2.700 6.509 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.462 -2.678 9.082 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.617 -1.733 8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.879 -3.279 11.391 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.204 -2.335 10.600 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.858 -3.803 12.783 1.00 0.00 H new ATOM 883 N LEU A 57 1.727 -1.628 4.751 1.00 0.00 N ATOM 884 CA LEU A 57 2.643 -2.070 3.712 1.00 0.00 C ATOM 885 C LEU A 57 3.982 -1.364 3.862 1.00 0.00 C ATOM 886 O LEU A 57 5.035 -1.992 3.778 1.00 0.00 O ATOM 887 CB LEU A 57 2.048 -1.793 2.328 1.00 0.00 C ATOM 888 CG LEU A 57 2.429 -2.788 1.231 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.614 -2.527 -0.025 1.00 0.00 C ATOM 890 CD2 LEU A 57 3.915 -2.711 0.926 1.00 0.00 C ATOM 0 H LEU A 57 0.820 -1.310 4.410 1.00 0.00 H new ATOM 0 HA LEU A 57 2.799 -3.144 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.962 -1.776 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.357 -0.797 2.013 1.00 0.00 H new ATOM 0 HG LEU A 57 2.207 -3.794 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.896 -3.243 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.553 -2.636 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.807 -1.515 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.163 -3.427 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.166 -1.705 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.484 -2.945 1.826 1.00 0.00 H new ATOM 902 N GLY A 58 3.931 -0.063 4.134 1.00 0.00 N ATOM 903 CA GLY A 58 5.131 0.660 4.511 1.00 0.00 C ATOM 904 C GLY A 58 5.900 -0.041 5.616 1.00 0.00 C ATOM 905 O GLY A 58 7.115 -0.230 5.515 1.00 0.00 O ATOM 0 H GLY A 58 3.082 0.501 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.774 0.773 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.860 1.664 4.839 1.00 0.00 H new ATOM 909 N GLN A 59 5.191 -0.437 6.672 1.00 0.00 N ATOM 910 CA GLN A 59 5.816 -1.125 7.797 1.00 0.00 C ATOM 911 C GLN A 59 6.627 -2.321 7.316 1.00 0.00 C ATOM 912 O GLN A 59 7.798 -2.465 7.663 1.00 0.00 O ATOM 913 CB GLN A 59 4.764 -1.595 8.807 1.00 0.00 C ATOM 914 CG GLN A 59 3.876 -0.487 9.347 1.00 0.00 C ATOM 915 CD GLN A 59 4.664 0.716 9.833 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.794 0.585 10.302 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.067 1.897 9.722 1.00 0.00 N ATOM 0 H GLN A 59 4.186 -0.293 6.771 1.00 0.00 H new ATOM 0 HA GLN A 59 6.482 -0.415 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.136 -2.350 8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.270 -2.079 9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.183 -0.171 8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.275 -0.877 10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.129 1.959 9.327 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.547 2.742 10.032 1.00 0.00 H new ATOM 926 N TYR A 60 5.991 -3.193 6.535 1.00 0.00 N ATOM 927 CA TYR A 60 6.602 -4.463 6.163 1.00 0.00 C ATOM 928 C TYR A 60 7.802 -4.257 5.238 1.00 0.00 C ATOM 929 O TYR A 60 8.822 -4.933 5.375 1.00 0.00 O ATOM 930 CB TYR A 60 5.570 -5.371 5.496 1.00 0.00 C ATOM 931 CG TYR A 60 6.092 -6.751 5.196 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.144 -7.726 6.184 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.537 -7.081 3.925 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.626 -8.991 5.913 1.00 0.00 C ATOM 935 CE2 TYR A 60 7.018 -8.343 3.644 1.00 0.00 C ATOM 936 CZ TYR A 60 7.062 -9.295 4.641 1.00 0.00 C ATOM 937 OH TYR A 60 7.543 -10.552 4.365 1.00 0.00 O ATOM 0 H TYR A 60 5.058 -3.043 6.151 1.00 0.00 H new ATOM 0 HA TYR A 60 6.961 -4.940 7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.697 -5.454 6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.235 -4.908 4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.802 -7.491 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.507 -6.338 3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.661 -9.738 6.693 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.359 -8.584 2.648 1.00 0.00 H new ATOM 0 HH TYR A 60 7.225 -11.181 5.046 1.00 0.00 H new ATOM 947 N ILE A 61 7.684 -3.311 4.308 1.00 0.00 N ATOM 948 CA ILE A 61 8.803 -2.947 3.439 1.00 0.00 C ATOM 949 C ILE A 61 9.982 -2.465 4.263 1.00 0.00 C ATOM 950 O ILE A 61 11.131 -2.499 3.820 1.00 0.00 O ATOM 951 CB ILE A 61 8.396 -1.846 2.433 1.00 0.00 C ATOM 952 CG1 ILE A 61 7.114 -2.249 1.712 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.507 -1.593 1.428 1.00 0.00 C ATOM 954 CD1 ILE A 61 7.074 -3.715 1.349 1.00 0.00 C ATOM 0 H ILE A 61 6.828 -2.784 4.137 1.00 0.00 H new ATOM 0 HA ILE A 61 9.090 -3.840 2.883 1.00 0.00 H new ATOM 0 HB ILE A 61 8.220 -0.922 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.259 -2.014 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.012 -1.653 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.197 -0.814 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.407 -1.272 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.716 -2.510 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.137 -3.938 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.910 -3.950 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.146 -4.316 2.255 1.00 0.00 H new ATOM 966 N MET A 62 9.680 -2.036 5.475 1.00 0.00 N ATOM 967 CA MET A 62 10.710 -1.635 6.429 1.00 0.00 C ATOM 968 C MET A 62 11.031 -2.770 7.397 1.00 0.00 C ATOM 969 O MET A 62 12.083 -2.777 8.037 1.00 0.00 O ATOM 970 CB MET A 62 10.262 -0.399 7.209 1.00 0.00 C ATOM 971 CG MET A 62 9.871 0.767 6.317 1.00 0.00 C ATOM 972 SD MET A 62 9.413 2.238 7.253 1.00 0.00 S ATOM 973 CE MET A 62 8.014 1.626 8.189 1.00 0.00 C ATOM 0 H MET A 62 8.726 -1.954 5.828 1.00 0.00 H new ATOM 0 HA MET A 62 11.612 -1.395 5.867 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.414 -0.664 7.840 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.068 -0.085 7.873 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.703 1.007 5.655 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.035 0.470 5.684 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.620 2.424 8.818 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.237 1.288 7.503 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.332 0.793 8.816 1.00 0.00 H new ATOM 983 N THR A 63 10.111 -3.723 7.507 1.00 0.00 N ATOM 984 CA THR A 63 10.262 -4.833 8.442 1.00 0.00 C ATOM 985 C THR A 63 11.357 -5.795 7.990 1.00 0.00 C ATOM 986 O THR A 63 12.420 -5.875 8.607 1.00 0.00 O ATOM 987 CB THR A 63 8.943 -5.613 8.605 1.00 0.00 C ATOM 988 OG1 THR A 63 7.906 -4.735 9.060 1.00 0.00 O ATOM 989 CG2 THR A 63 9.110 -6.759 9.595 1.00 0.00 C ATOM 0 H THR A 63 9.251 -3.749 6.959 1.00 0.00 H new ATOM 0 HA THR A 63 10.541 -4.399 9.402 1.00 0.00 H new ATOM 0 HB THR A 63 8.670 -6.026 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.096 -3.821 8.760 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.166 -7.295 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.879 -7.442 9.235 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.404 -6.361 10.566 1.00 0.00 H new ATOM 997 N LYS A 64 11.084 -6.533 6.918 1.00 0.00 N ATOM 998 CA LYS A 64 12.010 -7.551 6.433 1.00 0.00 C ATOM 999 C LYS A 64 13.089 -6.933 5.550 1.00 0.00 C ATOM 1000 O LYS A 64 13.664 -7.608 4.697 1.00 0.00 O ATOM 1001 CB LYS A 64 11.249 -8.627 5.655 1.00 0.00 C ATOM 1002 CG LYS A 64 10.192 -9.342 6.482 1.00 0.00 C ATOM 1003 CD LYS A 64 10.817 -10.177 7.588 1.00 0.00 C ATOM 1004 CE LYS A 64 9.761 -10.913 8.395 1.00 0.00 C ATOM 1005 NZ LYS A 64 8.806 -9.975 9.049 1.00 0.00 N ATOM 0 H LYS A 64 10.229 -6.445 6.369 1.00 0.00 H new ATOM 0 HA LYS A 64 12.495 -8.008 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.772 -8.168 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.960 -9.361 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.513 -8.609 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.595 -9.984 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.511 -10.896 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.397 -9.532 8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.213 -11.592 7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.247 -11.525 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.072 -10.518 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.317 -9.378 9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.361 -9.373 8.327 1.00 0.00 H new ATOM 1019 N ARG A 65 13.372 -5.651 5.788 1.00 0.00 N ATOM 1020 CA ARG A 65 14.461 -4.945 5.112 1.00 0.00 C ATOM 1021 C ARG A 65 14.605 -5.379 3.656 1.00 0.00 C ATOM 1022 O ARG A 65 15.499 -6.152 3.307 1.00 0.00 O ATOM 1023 CB ARG A 65 15.784 -5.139 5.865 1.00 0.00 C ATOM 1024 CG ARG A 65 16.148 -6.594 6.118 1.00 0.00 C ATOM 1025 CD ARG A 65 17.468 -6.717 6.861 1.00 0.00 C ATOM 1026 NE ARG A 65 17.436 -6.033 8.151 1.00 0.00 N ATOM 1027 CZ ARG A 65 18.506 -5.860 8.921 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.689 -6.321 8.532 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.397 -5.227 10.081 1.00 0.00 N ATOM 0 H ARG A 65 12.855 -5.075 6.452 1.00 0.00 H new ATOM 0 HA ARG A 65 14.209 -3.885 5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.586 -4.669 5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.725 -4.619 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.358 -7.073 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.213 -7.124 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.700 -7.771 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.268 -6.300 6.250 1.00 0.00 H new ATOM 0 HE ARG A 65 16.542 -5.667 8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.778 -6.809 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.508 -6.187 9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.491 -4.871 10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.220 -5.096 10.670 1.00 0.00 H new ATOM 1043 N LEU A 66 13.730 -4.851 2.811 1.00 0.00 N ATOM 1044 CA LEU A 66 13.816 -5.063 1.372 1.00 0.00 C ATOM 1045 C LEU A 66 14.395 -3.833 0.681 1.00 0.00 C ATOM 1046 O LEU A 66 15.064 -3.941 -0.348 1.00 0.00 O ATOM 1047 CB LEU A 66 12.426 -5.362 0.808 1.00 0.00 C ATOM 1048 CG LEU A 66 12.056 -6.842 0.664 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.543 -7.663 1.850 1.00 0.00 C ATOM 1050 CD2 LEU A 66 10.552 -6.979 0.512 1.00 0.00 C ATOM 0 H LEU A 66 12.945 -4.267 3.101 1.00 0.00 H new ATOM 0 HA LEU A 66 14.475 -5.911 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.686 -4.885 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.346 -4.892 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 66 12.551 -7.230 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.261 -8.707 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.628 -7.587 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.089 -7.284 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.291 -8.032 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.058 -6.567 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.225 -6.436 -0.375 1.00 0.00 H new ATOM 1062 N TYR A 67 14.100 -2.661 1.236 1.00 0.00 N ATOM 1063 CA TYR A 67 14.400 -1.396 0.574 1.00 0.00 C ATOM 1064 C TYR A 67 15.897 -1.235 0.323 1.00 0.00 C ATOM 1065 O TYR A 67 16.711 -2.018 0.814 1.00 0.00 O ATOM 1066 CB TYR A 67 13.874 -0.222 1.406 1.00 0.00 C ATOM 1067 CG TYR A 67 14.430 -0.162 2.812 1.00 0.00 C ATOM 1068 CD1 TYR A 67 13.962 -1.014 3.805 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.419 0.754 3.148 1.00 0.00 C ATOM 1070 CE1 TYR A 67 14.464 -0.956 5.091 1.00 0.00 C ATOM 1071 CE2 TYR A 67 15.927 0.817 4.432 1.00 0.00 C ATOM 1072 CZ TYR A 67 15.448 -0.040 5.399 1.00 0.00 C ATOM 1073 OH TYR A 67 15.951 0.021 6.679 1.00 0.00 O ATOM 0 H TYR A 67 13.651 -2.561 2.147 1.00 0.00 H new ATOM 0 HA TYR A 67 13.898 -1.401 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.113 0.709 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.787 -0.287 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.193 -1.734 3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.797 1.428 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 67 14.088 -1.625 5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.696 1.535 4.676 1.00 0.00 H new ATOM 0 HH TYR A 67 16.637 0.719 6.728 1.00 0.00 H new ATOM 1083 N ASP A 68 16.242 -0.229 -0.477 1.00 0.00 N ATOM 1084 CA ASP A 68 17.609 -0.054 -0.963 1.00 0.00 C ATOM 1085 C ASP A 68 18.576 0.207 0.185 1.00 0.00 C ATOM 1086 O ASP A 68 19.785 0.016 0.044 1.00 0.00 O ATOM 1087 CB ASP A 68 17.660 1.098 -1.969 1.00 0.00 C ATOM 1088 CG ASP A 68 19.075 1.543 -2.278 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.724 0.912 -3.137 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.537 2.524 -1.659 1.00 0.00 O ATOM 0 H ASP A 68 15.589 0.482 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 68 17.916 -0.977 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.171 0.790 -2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.095 1.943 -1.576 1.00 0.00 H new ATOM 1095 N GLU A 69 18.033 0.635 1.321 1.00 0.00 N ATOM 1096 CA GLU A 69 18.823 0.829 2.535 1.00 0.00 C ATOM 1097 C GLU A 69 19.737 2.050 2.418 1.00 0.00 C ATOM 1098 O GLU A 69 20.263 2.538 3.419 1.00 0.00 O ATOM 1099 CB GLU A 69 19.649 -0.423 2.844 1.00 0.00 C ATOM 1100 CG GLU A 69 20.480 -0.309 4.112 1.00 0.00 C ATOM 1101 CD GLU A 69 21.290 -1.559 4.392 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.442 -1.640 3.915 1.00 0.00 O ATOM 1103 OE2 GLU A 69 20.774 -2.457 5.089 1.00 0.00 O ATOM 0 H GLU A 69 17.043 0.856 1.427 1.00 0.00 H new ATOM 0 HA GLU A 69 18.129 1.006 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.978 -1.277 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.312 -0.627 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.153 0.544 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.821 -0.111 4.957 1.00 0.00 H new ATOM 1110 N LYS A 70 19.922 2.542 1.196 1.00 0.00 N ATOM 1111 CA LYS A 70 20.776 3.702 0.966 1.00 0.00 C ATOM 1112 C LYS A 70 19.950 4.902 0.515 1.00 0.00 C ATOM 1113 O LYS A 70 20.350 6.050 0.710 1.00 0.00 O ATOM 1114 CB LYS A 70 21.848 3.381 -0.078 1.00 0.00 C ATOM 1115 CG LYS A 70 22.751 2.221 0.312 1.00 0.00 C ATOM 1116 CD LYS A 70 23.781 1.923 -0.766 1.00 0.00 C ATOM 1117 CE LYS A 70 23.126 1.431 -2.047 1.00 0.00 C ATOM 1118 NZ LYS A 70 24.129 1.141 -3.108 1.00 0.00 N ATOM 0 H LYS A 70 19.494 2.157 0.354 1.00 0.00 H new ATOM 0 HA LYS A 70 21.266 3.952 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.362 3.149 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.460 4.268 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.260 2.455 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.145 1.333 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.360 2.823 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.481 1.171 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.549 0.530 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.424 2.183 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.642 0.808 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.663 2.006 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.784 0.405 -2.775 1.00 0.00 H new ATOM 1132 N GLN A 71 18.787 4.627 -0.066 1.00 0.00 N ATOM 1133 CA GLN A 71 17.847 5.682 -0.428 1.00 0.00 C ATOM 1134 C GLN A 71 16.410 5.217 -0.231 1.00 0.00 C ATOM 1135 O GLN A 71 15.468 5.931 -0.566 1.00 0.00 O ATOM 1136 CB GLN A 71 18.071 6.128 -1.874 1.00 0.00 C ATOM 1137 CG GLN A 71 18.001 4.994 -2.882 1.00 0.00 C ATOM 1138 CD GLN A 71 18.340 5.441 -4.292 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.835 4.890 -5.268 1.00 0.00 O ATOM 1140 NE2 GLN A 71 19.205 6.444 -4.405 1.00 0.00 N ATOM 0 H GLN A 71 18.473 3.684 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 71 18.023 6.534 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.324 6.879 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.046 6.609 -1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.688 4.203 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.999 4.566 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.600 6.873 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.473 6.785 -5.328 1.00 0.00 H new ATOM 1149 N GLN A 72 16.264 4.033 0.355 1.00 0.00 N ATOM 1150 CA GLN A 72 14.964 3.528 0.805 1.00 0.00 C ATOM 1151 C GLN A 72 14.012 3.256 -0.361 1.00 0.00 C ATOM 1152 O GLN A 72 13.729 2.102 -0.680 1.00 0.00 O ATOM 1153 CB GLN A 72 14.319 4.508 1.789 1.00 0.00 C ATOM 1154 CG GLN A 72 14.996 4.538 3.153 1.00 0.00 C ATOM 1155 CD GLN A 72 16.317 5.281 3.139 1.00 0.00 C ATOM 1156 OE1 GLN A 72 16.497 6.238 2.385 1.00 0.00 O ATOM 1157 NE2 GLN A 72 17.251 4.844 3.975 1.00 0.00 N ATOM 0 H GLN A 72 17.040 3.395 0.533 1.00 0.00 H new ATOM 0 HA GLN A 72 15.148 2.578 1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.342 5.509 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.270 4.241 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.328 5.008 3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.163 3.516 3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.059 4.047 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.160 5.305 4.010 1.00 0.00 H new ATOM 1166 N HIS A 73 13.474 4.324 -0.949 1.00 0.00 N ATOM 1167 CA HIS A 73 12.309 4.226 -1.826 1.00 0.00 C ATOM 1168 C HIS A 73 12.479 3.168 -2.917 1.00 0.00 C ATOM 1169 O HIS A 73 11.494 2.720 -3.496 1.00 0.00 O ATOM 1170 CB HIS A 73 12.005 5.587 -2.461 1.00 0.00 C ATOM 1171 CG HIS A 73 13.210 6.279 -3.019 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.907 7.249 -2.330 1.00 0.00 N ATOM 1173 CD2 HIS A 73 13.835 6.145 -4.213 1.00 0.00 C ATOM 1174 CE1 HIS A 73 14.910 7.680 -3.075 1.00 0.00 C ATOM 1175 NE2 HIS A 73 14.889 7.027 -4.221 1.00 0.00 N ATOM 0 H HIS A 73 13.830 5.273 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 73 11.471 3.915 -1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.275 5.450 -3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.542 6.231 -1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.557 5.471 -5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.626 8.438 -2.793 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.548 7.156 -4.989 1.00 0.00 H new ATOM 1184 N ILE A 74 13.713 2.749 -3.191 1.00 0.00 N ATOM 1185 CA ILE A 74 13.935 1.660 -4.139 1.00 0.00 C ATOM 1186 C ILE A 74 14.011 0.322 -3.415 1.00 0.00 C ATOM 1187 O ILE A 74 15.018 0.000 -2.789 1.00 0.00 O ATOM 1188 CB ILE A 74 15.220 1.856 -4.966 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.290 3.270 -5.542 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.278 0.832 -6.087 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.144 3.611 -6.472 1.00 0.00 C ATOM 0 H ILE A 74 14.560 3.139 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 74 13.085 1.667 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 74 16.076 1.715 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.304 3.986 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.230 3.386 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.190 0.978 -6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.274 -0.172 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.412 0.955 -6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.265 4.630 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.141 2.919 -7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.201 3.529 -5.932 1.00 0.00 H new ATOM 1203 N VAL A 75 12.921 -0.436 -3.470 1.00 0.00 N ATOM 1204 CA VAL A 75 12.762 -1.604 -2.612 1.00 0.00 C ATOM 1205 C VAL A 75 13.143 -2.887 -3.335 1.00 0.00 C ATOM 1206 O VAL A 75 12.283 -3.575 -3.885 1.00 0.00 O ATOM 1207 CB VAL A 75 11.316 -1.740 -2.116 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.231 -2.785 -1.016 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.783 -0.398 -1.645 1.00 0.00 C ATOM 0 H VAL A 75 12.136 -0.263 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 75 13.430 -1.454 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 75 10.691 -2.072 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.200 -2.870 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.566 -3.748 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.866 -2.488 -0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.757 -0.516 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.402 -0.027 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.807 0.313 -2.471 1.00 0.00 H new ATOM 1219 N TYR A 76 14.429 -3.218 -3.306 1.00 0.00 N ATOM 1220 CA TYR A 76 14.908 -4.481 -3.854 1.00 0.00 C ATOM 1221 C TYR A 76 14.200 -5.665 -3.208 1.00 0.00 C ATOM 1222 O TYR A 76 13.944 -5.667 -2.003 1.00 0.00 O ATOM 1223 CB TYR A 76 16.419 -4.598 -3.655 1.00 0.00 C ATOM 1224 CG TYR A 76 17.189 -3.394 -4.149 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.699 -2.608 -5.187 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.404 -3.041 -3.576 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.402 -1.510 -5.641 1.00 0.00 C ATOM 1228 CE2 TYR A 76 19.111 -1.942 -4.025 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.607 -1.181 -5.058 1.00 0.00 C ATOM 1230 OH TYR A 76 19.308 -0.087 -5.511 1.00 0.00 O ATOM 0 H TYR A 76 15.160 -2.628 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 76 14.684 -4.495 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.627 -4.742 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.778 -5.487 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.754 -2.861 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.802 -3.635 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.009 -0.911 -6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 76 20.054 -1.680 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 76 19.875 0.260 -4.790 1.00 0.00 H new ATOM 1240 N CYS A 77 13.881 -6.670 -4.018 1.00 0.00 N ATOM 1241 CA CYS A 77 13.170 -7.847 -3.528 1.00 0.00 C ATOM 1242 C CYS A 77 13.597 -9.105 -4.280 1.00 0.00 C ATOM 1243 O CYS A 77 14.546 -9.782 -3.883 1.00 0.00 O ATOM 1244 CB CYS A 77 11.659 -7.645 -3.663 1.00 0.00 C ATOM 1245 SG CYS A 77 10.674 -9.078 -3.168 1.00 0.00 S ATOM 0 H CYS A 77 14.103 -6.694 -5.013 1.00 0.00 H new ATOM 0 HA CYS A 77 13.423 -7.978 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 77 11.363 -6.788 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.428 -7.399 -4.699 1.00 0.00 H new ATOM 0 HG CYS A 77 10.302 -9.735 -4.226 1.00 0.00 H new ATOM 1251 N SER A 78 12.880 -9.421 -5.357 1.00 0.00 N ATOM 1252 CA SER A 78 13.130 -10.638 -6.123 1.00 0.00 C ATOM 1253 C SER A 78 13.026 -11.884 -5.243 1.00 0.00 C ATOM 1254 O SER A 78 13.373 -12.985 -5.674 1.00 0.00 O ATOM 1255 CB SER A 78 14.509 -10.572 -6.779 1.00 0.00 C ATOM 1256 OG SER A 78 14.728 -11.686 -7.626 1.00 0.00 O ATOM 0 H SER A 78 12.118 -8.847 -5.719 1.00 0.00 H new ATOM 0 HA SER A 78 12.366 -10.710 -6.897 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.597 -9.651 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.280 -10.541 -6.009 1.00 0.00 H new ATOM 0 HG SER A 78 14.333 -12.487 -7.222 1.00 0.00 H new ATOM 1262 N ASN A 79 12.541 -11.706 -4.016 1.00 0.00 N ATOM 1263 CA ASN A 79 12.386 -12.817 -3.079 1.00 0.00 C ATOM 1264 C ASN A 79 11.821 -12.335 -1.746 1.00 0.00 C ATOM 1265 O ASN A 79 12.560 -12.156 -0.777 1.00 0.00 O ATOM 1266 CB ASN A 79 13.729 -13.516 -2.848 1.00 0.00 C ATOM 1267 CG ASN A 79 13.612 -14.698 -1.905 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.573 -15.355 -1.840 1.00 0.00 O ATOM 1269 ND2 ASN A 79 14.682 -14.974 -1.169 1.00 0.00 N ATOM 0 H ASN A 79 12.248 -10.801 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 79 11.684 -13.526 -3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.128 -13.856 -3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.443 -12.800 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.664 -15.758 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.522 -14.402 -1.256 1.00 0.00 H new ATOM 1276 N ASP A 80 10.507 -12.132 -1.702 1.00 0.00 N ATOM 1277 CA ASP A 80 9.840 -11.703 -0.475 1.00 0.00 C ATOM 1278 C ASP A 80 8.323 -11.695 -0.653 1.00 0.00 C ATOM 1279 O ASP A 80 7.813 -11.914 -1.756 1.00 0.00 O ATOM 1280 CB ASP A 80 10.323 -10.314 -0.066 1.00 0.00 C ATOM 1281 CG ASP A 80 9.982 -9.988 1.376 1.00 0.00 C ATOM 1282 OD1 ASP A 80 10.788 -10.330 2.268 1.00 0.00 O ATOM 1283 OD2 ASP A 80 8.911 -9.393 1.611 1.00 0.00 O ATOM 0 H ASP A 80 9.884 -12.257 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 80 10.092 -12.414 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.402 -10.251 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.873 -9.568 -0.721 1.00 0.00 H new ATOM 1288 N LEU A 81 7.601 -11.415 0.428 1.00 0.00 N ATOM 1289 CA LEU A 81 6.161 -11.208 0.346 1.00 0.00 C ATOM 1290 C LEU A 81 5.837 -10.069 -0.616 1.00 0.00 C ATOM 1291 O LEU A 81 4.896 -10.159 -1.407 1.00 0.00 O ATOM 1292 CB LEU A 81 5.581 -10.912 1.733 1.00 0.00 C ATOM 1293 CG LEU A 81 5.289 -12.144 2.597 1.00 0.00 C ATOM 1294 CD1 LEU A 81 4.217 -13.008 1.949 1.00 0.00 C ATOM 1295 CD2 LEU A 81 6.557 -12.954 2.831 1.00 0.00 C ATOM 0 H LEU A 81 7.989 -11.327 1.367 1.00 0.00 H new ATOM 0 HA LEU A 81 5.705 -12.123 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.278 -10.269 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.657 -10.348 1.609 1.00 0.00 H new ATOM 0 HG LEU A 81 4.920 -11.802 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.023 -13.878 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.300 -12.429 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.559 -13.337 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.325 -13.823 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.960 -13.284 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.295 -12.335 3.341 1.00 0.00 H new ATOM 1307 N LEU A 82 6.654 -9.020 -0.576 1.00 0.00 N ATOM 1308 CA LEU A 82 6.617 -7.992 -1.608 1.00 0.00 C ATOM 1309 C LEU A 82 6.713 -8.629 -2.993 1.00 0.00 C ATOM 1310 O LEU A 82 6.045 -8.202 -3.932 1.00 0.00 O ATOM 1311 CB LEU A 82 7.761 -6.989 -1.414 1.00 0.00 C ATOM 1312 CG LEU A 82 8.249 -6.310 -2.695 1.00 0.00 C ATOM 1313 CD1 LEU A 82 7.124 -5.514 -3.336 1.00 0.00 C ATOM 1314 CD2 LEU A 82 9.441 -5.413 -2.399 1.00 0.00 C ATOM 0 H LEU A 82 7.346 -8.861 0.156 1.00 0.00 H new ATOM 0 HA LEU A 82 5.669 -7.460 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.435 -6.220 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.602 -7.505 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 82 8.566 -7.081 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.488 -5.037 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.299 -6.183 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.777 -4.750 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.776 -4.937 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.150 -4.647 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.252 -6.011 -1.984 1.00 0.00 H new ATOM 1326 N GLY A 83 7.546 -9.659 -3.106 1.00 0.00 N ATOM 1327 CA GLY A 83 7.665 -10.382 -4.358 1.00 0.00 C ATOM 1328 C GLY A 83 6.326 -10.883 -4.861 1.00 0.00 C ATOM 1329 O GLY A 83 6.048 -10.834 -6.059 1.00 0.00 O ATOM 0 H GLY A 83 8.140 -10.005 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.113 -9.732 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.340 -11.227 -4.224 1.00 0.00 H new ATOM 1333 N ASP A 84 5.487 -11.354 -3.941 1.00 0.00 N ATOM 1334 CA ASP A 84 4.134 -11.775 -4.291 1.00 0.00 C ATOM 1335 C ASP A 84 3.320 -10.608 -4.845 1.00 0.00 C ATOM 1336 O ASP A 84 2.418 -10.802 -5.659 1.00 0.00 O ATOM 1337 CB ASP A 84 3.420 -12.373 -3.075 1.00 0.00 C ATOM 1338 CG ASP A 84 4.178 -13.542 -2.477 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.027 -13.308 -1.590 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.923 -14.691 -2.894 1.00 0.00 O ATOM 0 H ASP A 84 5.719 -11.453 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 84 4.217 -12.539 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.291 -11.601 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.423 -12.702 -3.368 1.00 0.00 H new ATOM 1345 N LEU A 85 3.637 -9.398 -4.392 1.00 0.00 N ATOM 1346 CA LEU A 85 2.892 -8.210 -4.801 1.00 0.00 C ATOM 1347 C LEU A 85 2.967 -8.010 -6.311 1.00 0.00 C ATOM 1348 O LEU A 85 1.972 -8.178 -7.019 1.00 0.00 O ATOM 1349 CB LEU A 85 3.421 -6.968 -4.083 1.00 0.00 C ATOM 1350 CG LEU A 85 3.484 -7.074 -2.557 1.00 0.00 C ATOM 1351 CD1 LEU A 85 3.904 -5.744 -1.950 1.00 0.00 C ATOM 1352 CD2 LEU A 85 2.144 -7.518 -1.995 1.00 0.00 C ATOM 0 H LEU A 85 4.402 -9.214 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 85 1.849 -8.360 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.421 -6.750 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.790 -6.119 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 85 4.230 -7.825 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.944 -5.836 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.888 -5.467 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.181 -4.975 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.210 -7.587 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.377 -6.793 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.882 -8.493 -2.406 1.00 0.00 H new ATOM 1364 N PHE A 86 4.150 -7.651 -6.800 1.00 0.00 N ATOM 1365 CA PHE A 86 4.355 -7.444 -8.232 1.00 0.00 C ATOM 1366 C PHE A 86 5.266 -8.523 -8.803 1.00 0.00 C ATOM 1367 O PHE A 86 5.031 -9.039 -9.897 1.00 0.00 O ATOM 1368 CB PHE A 86 4.976 -6.070 -8.513 1.00 0.00 C ATOM 1369 CG PHE A 86 4.650 -5.005 -7.503 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.200 -5.047 -6.232 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.807 -3.953 -7.830 1.00 0.00 C ATOM 1372 CE1 PHE A 86 4.916 -4.062 -5.308 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.520 -2.966 -6.906 1.00 0.00 C ATOM 1374 CZ PHE A 86 4.076 -3.022 -5.644 1.00 0.00 C ATOM 0 H PHE A 86 4.981 -7.497 -6.228 1.00 0.00 H new ATOM 0 HA PHE A 86 3.377 -7.496 -8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.059 -6.181 -8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.644 -5.732 -9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.858 -5.859 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.370 -3.905 -8.817 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.352 -4.106 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.862 -2.152 -7.171 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.853 -2.252 -4.920 1.00 0.00 H new ATOM 1384 N GLY A 87 6.339 -8.819 -8.075 1.00 0.00 N ATOM 1385 CA GLY A 87 7.436 -9.584 -8.638 1.00 0.00 C ATOM 1386 C GLY A 87 8.631 -8.707 -8.953 1.00 0.00 C ATOM 1387 O GLY A 87 9.544 -9.120 -9.668 1.00 0.00 O ATOM 0 H GLY A 87 6.468 -8.541 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.733 -10.364 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.102 -10.083 -9.548 1.00 0.00 H new ATOM 1391 N VAL A 88 8.613 -7.484 -8.428 1.00 0.00 N ATOM 1392 CA VAL A 88 9.648 -6.499 -8.727 1.00 0.00 C ATOM 1393 C VAL A 88 11.006 -6.934 -8.187 1.00 0.00 C ATOM 1394 O VAL A 88 11.093 -7.542 -7.120 1.00 0.00 O ATOM 1395 CB VAL A 88 9.304 -5.122 -8.125 1.00 0.00 C ATOM 1396 CG1 VAL A 88 8.023 -4.570 -8.725 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.194 -5.214 -6.610 1.00 0.00 C ATOM 0 H VAL A 88 7.889 -7.151 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 88 9.696 -6.422 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 88 10.113 -4.433 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.803 -3.598 -8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.144 -4.460 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.201 -5.256 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.951 -4.233 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.409 -5.922 -6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.144 -5.553 -6.196 1.00 0.00 H new ATOM 1407 N PRO A 89 12.090 -6.553 -8.882 1.00 0.00 N ATOM 1408 CA PRO A 89 13.421 -6.481 -8.283 1.00 0.00 C ATOM 1409 C PRO A 89 13.580 -5.229 -7.428 1.00 0.00 C ATOM 1410 O PRO A 89 14.563 -5.080 -6.702 1.00 0.00 O ATOM 1411 CB PRO A 89 14.341 -6.421 -9.499 1.00 0.00 C ATOM 1412 CG PRO A 89 13.532 -5.724 -10.540 1.00 0.00 C ATOM 1413 CD PRO A 89 12.095 -6.101 -10.287 1.00 0.00 C ATOM 0 HA PRO A 89 13.631 -7.318 -7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.258 -5.876 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.634 -7.419 -9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.667 -4.644 -10.478 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.842 -6.027 -11.540 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.427 -5.253 -10.436 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.764 -6.890 -10.962 1.00 0.00 H new ATOM 1421 N SER A 90 12.593 -4.339 -7.522 1.00 0.00 N ATOM 1422 CA SER A 90 12.569 -3.104 -6.742 1.00 0.00 C ATOM 1423 C SER A 90 11.273 -2.339 -7.006 1.00 0.00 C ATOM 1424 O SER A 90 10.796 -2.301 -8.140 1.00 0.00 O ATOM 1425 CB SER A 90 13.766 -2.222 -7.094 1.00 0.00 C ATOM 1426 OG SER A 90 13.834 -1.983 -8.490 1.00 0.00 O ATOM 0 H SER A 90 11.790 -4.454 -8.140 1.00 0.00 H new ATOM 0 HA SER A 90 12.624 -3.366 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.690 -1.273 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.686 -2.702 -6.759 1.00 0.00 H new ATOM 0 HG SER A 90 14.608 -1.415 -8.687 1.00 0.00 H new ATOM 1432 N PHE A 91 10.712 -1.710 -5.972 1.00 0.00 N ATOM 1433 CA PHE A 91 9.562 -0.828 -6.175 1.00 0.00 C ATOM 1434 C PHE A 91 9.758 0.514 -5.476 1.00 0.00 C ATOM 1435 O PHE A 91 10.459 0.606 -4.472 1.00 0.00 O ATOM 1436 CB PHE A 91 8.254 -1.502 -5.723 1.00 0.00 C ATOM 1437 CG PHE A 91 7.948 -1.414 -4.249 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.311 -0.299 -3.727 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.267 -2.457 -3.392 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.003 -0.226 -2.383 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.963 -2.386 -2.045 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.329 -1.269 -1.542 1.00 0.00 C ATOM 0 H PHE A 91 11.027 -1.792 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 91 9.484 -0.635 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.427 -1.054 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.293 -2.554 -6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.053 0.522 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.759 -3.336 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.506 0.649 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.221 -3.203 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.088 -1.211 -0.491 1.00 0.00 H new ATOM 1452 N SER A 92 9.188 1.562 -6.068 1.00 0.00 N ATOM 1453 CA SER A 92 9.620 2.930 -5.788 1.00 0.00 C ATOM 1454 C SER A 92 8.928 3.501 -4.553 1.00 0.00 C ATOM 1455 O SER A 92 9.475 4.374 -3.881 1.00 0.00 O ATOM 1456 CB SER A 92 9.343 3.829 -6.994 1.00 0.00 C ATOM 1457 OG SER A 92 9.780 5.154 -6.755 1.00 0.00 O ATOM 0 H SER A 92 8.427 1.490 -6.744 1.00 0.00 H new ATOM 0 HA SER A 92 10.692 2.900 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.849 3.429 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.275 3.829 -7.213 1.00 0.00 H new ATOM 0 HG SER A 92 9.593 5.707 -7.542 1.00 0.00 H new ATOM 1463 N VAL A 93 7.720 3.013 -4.275 1.00 0.00 N ATOM 1464 CA VAL A 93 6.924 3.475 -3.135 1.00 0.00 C ATOM 1465 C VAL A 93 6.788 4.999 -3.112 1.00 0.00 C ATOM 1466 O VAL A 93 6.305 5.573 -2.136 1.00 0.00 O ATOM 1467 CB VAL A 93 7.512 2.991 -1.787 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.586 3.939 -1.275 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.409 2.821 -0.755 1.00 0.00 C ATOM 0 H VAL A 93 7.265 2.289 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 93 5.934 3.038 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 93 7.982 2.022 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.977 3.568 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.395 3.999 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.157 4.930 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.841 2.480 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.906 3.775 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.688 2.085 -1.111 1.00 0.00 H new ATOM 1479 N LYS A 94 7.223 5.651 -4.187 1.00 0.00 N ATOM 1480 CA LYS A 94 7.245 7.108 -4.240 1.00 0.00 C ATOM 1481 C LYS A 94 6.147 7.629 -5.159 1.00 0.00 C ATOM 1482 O LYS A 94 5.412 8.550 -4.805 1.00 0.00 O ATOM 1483 CB LYS A 94 8.612 7.597 -4.723 1.00 0.00 C ATOM 1484 CG LYS A 94 8.835 9.087 -4.514 1.00 0.00 C ATOM 1485 CD LYS A 94 10.175 9.538 -5.075 1.00 0.00 C ATOM 1486 CE LYS A 94 10.232 9.379 -6.587 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.542 9.818 -7.143 1.00 0.00 N ATOM 0 H LYS A 94 7.565 5.193 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 94 7.066 7.492 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.392 7.045 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.717 7.368 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.032 9.646 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.790 9.316 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.348 10.582 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.976 8.957 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.058 8.335 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.431 9.960 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.540 9.694 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.697 10.821 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.305 9.246 -6.727 1.00 0.00 H new ATOM 1501 N GLU A 95 6.029 7.015 -6.332 1.00 0.00 N ATOM 1502 CA GLU A 95 4.921 7.295 -7.238 1.00 0.00 C ATOM 1503 C GLU A 95 3.583 7.112 -6.528 1.00 0.00 C ATOM 1504 O GLU A 95 2.674 7.926 -6.681 1.00 0.00 O ATOM 1505 CB GLU A 95 5.003 6.381 -8.464 1.00 0.00 C ATOM 1506 CG GLU A 95 5.333 4.936 -8.123 1.00 0.00 C ATOM 1507 CD GLU A 95 5.724 4.121 -9.338 1.00 0.00 C ATOM 1508 OE1 GLU A 95 6.917 4.136 -9.706 1.00 0.00 O ATOM 1509 OE2 GLU A 95 4.837 3.465 -9.925 1.00 0.00 O ATOM 0 H GLU A 95 6.689 6.319 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 95 4.994 8.332 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.052 6.412 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.761 6.767 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.148 4.915 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.470 4.474 -7.644 1.00 0.00 H new ATOM 1516 N HIS A 96 3.498 6.059 -5.720 1.00 0.00 N ATOM 1517 CA HIS A 96 2.388 5.873 -4.784 1.00 0.00 C ATOM 1518 C HIS A 96 1.083 5.552 -5.510 1.00 0.00 C ATOM 1519 O HIS A 96 0.606 4.420 -5.464 1.00 0.00 O ATOM 1520 CB HIS A 96 2.210 7.108 -3.900 1.00 0.00 C ATOM 1521 CG HIS A 96 1.568 6.809 -2.581 1.00 0.00 C ATOM 1522 ND1 HIS A 96 0.341 6.190 -2.462 1.00 0.00 N ATOM 1523 CD2 HIS A 96 1.993 7.040 -1.316 1.00 0.00 C ATOM 1524 CE1 HIS A 96 0.038 6.056 -1.183 1.00 0.00 C ATOM 1525 NE2 HIS A 96 1.025 6.563 -0.467 1.00 0.00 N ATOM 0 H HIS A 96 4.192 5.312 -5.694 1.00 0.00 H new ATOM 0 HA HIS A 96 2.638 5.020 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.184 7.564 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.605 7.842 -4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.921 7.512 -1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.863 5.608 -0.790 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.062 6.595 0.552 1.00 0.00 H new ATOM 1534 N ARG A 97 0.513 6.545 -6.182 1.00 0.00 N ATOM 1535 CA ARG A 97 -0.684 6.327 -6.983 1.00 0.00 C ATOM 1536 C ARG A 97 -0.504 5.119 -7.895 1.00 0.00 C ATOM 1537 O ARG A 97 -1.390 4.270 -8.007 1.00 0.00 O ATOM 1538 CB ARG A 97 -1.002 7.571 -7.816 1.00 0.00 C ATOM 1539 CG ARG A 97 -2.264 7.438 -8.653 1.00 0.00 C ATOM 1540 CD ARG A 97 -2.530 8.696 -9.465 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.439 8.992 -10.389 1.00 0.00 N ATOM 1542 CZ ARG A 97 -1.452 10.010 -11.243 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -2.497 10.828 -11.291 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -0.420 10.214 -12.053 1.00 0.00 N ATOM 0 H ARG A 97 0.859 7.505 -6.188 1.00 0.00 H new ATOM 0 HA ARG A 97 -1.518 6.133 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -1.107 8.427 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.160 7.782 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.168 6.584 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.115 7.238 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.457 8.576 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.672 9.540 -8.790 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.621 8.383 -10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.293 10.676 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.504 11.609 -11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.385 9.589 -12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.432 10.996 -12.708 1.00 0.00 H new ATOM 1558 N LYS A 98 0.654 5.048 -8.542 1.00 0.00 N ATOM 1559 CA LYS A 98 0.941 3.974 -9.484 1.00 0.00 C ATOM 1560 C LYS A 98 1.310 2.685 -8.759 1.00 0.00 C ATOM 1561 O LYS A 98 1.017 1.590 -9.236 1.00 0.00 O ATOM 1562 CB LYS A 98 2.072 4.383 -10.429 1.00 0.00 C ATOM 1563 CG LYS A 98 1.790 5.661 -11.203 1.00 0.00 C ATOM 1564 CD LYS A 98 0.609 5.497 -12.147 1.00 0.00 C ATOM 1565 CE LYS A 98 0.335 6.773 -12.925 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.504 7.185 -13.749 1.00 0.00 N ATOM 0 H LYS A 98 1.410 5.723 -8.431 1.00 0.00 H new ATOM 0 HA LYS A 98 0.037 3.791 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.987 4.513 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.254 3.573 -11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.588 6.473 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.675 5.944 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.809 4.682 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.278 5.220 -11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.530 6.625 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.081 7.574 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.211 7.920 -14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.250 7.561 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.869 6.362 -14.270 1.00 0.00 H new ATOM 1580 N ILE A 99 1.968 2.820 -7.613 1.00 0.00 N ATOM 1581 CA ILE A 99 2.473 1.662 -6.879 1.00 0.00 C ATOM 1582 C ILE A 99 1.326 0.850 -6.283 1.00 0.00 C ATOM 1583 O ILE A 99 1.368 -0.381 -6.268 1.00 0.00 O ATOM 1584 CB ILE A 99 3.474 2.084 -5.770 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.371 0.903 -5.377 1.00 0.00 C ATOM 1586 CG2 ILE A 99 2.751 2.633 -4.549 1.00 0.00 C ATOM 1587 CD1 ILE A 99 3.763 -0.015 -4.338 1.00 0.00 C ATOM 0 H ILE A 99 2.165 3.718 -7.171 1.00 0.00 H new ATOM 0 HA ILE A 99 3.007 1.033 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 99 4.100 2.880 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.601 0.322 -6.270 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.316 1.289 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.481 2.919 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.164 3.506 -4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.089 1.868 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.459 -0.824 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.559 0.550 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.832 -0.433 -4.722 1.00 0.00 H new ATOM 1599 N TYR A 100 0.296 1.540 -5.808 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.840 0.874 -5.191 1.00 0.00 C ATOM 1601 C TYR A 100 -1.862 0.432 -6.232 1.00 0.00 C ATOM 1602 O TYR A 100 -2.562 -0.563 -6.041 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.496 1.792 -4.157 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.777 1.793 -2.826 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.445 1.148 -2.680 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.319 2.431 -1.717 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.107 1.138 -1.473 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.661 2.423 -0.501 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.552 1.776 -0.384 1.00 0.00 C ATOM 1610 OH TYR A 100 1.212 1.767 0.823 1.00 0.00 O ATOM 0 H TYR A 100 0.226 2.557 -5.839 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.470 -0.020 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.525 2.809 -4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.529 1.479 -4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.884 0.645 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.267 2.940 -1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.057 0.633 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.095 2.921 0.354 1.00 0.00 H new ATOM 0 HH TYR A 100 1.548 2.667 1.019 1.00 0.00 H new ATOM 1620 N THR A 101 -1.946 1.166 -7.339 1.00 0.00 N ATOM 1621 CA THR A 101 -2.877 0.819 -8.404 1.00 0.00 C ATOM 1622 C THR A 101 -2.414 -0.424 -9.159 1.00 0.00 C ATOM 1623 O THR A 101 -3.227 -1.141 -9.744 1.00 0.00 O ATOM 1624 CB THR A 101 -3.063 1.977 -9.404 1.00 0.00 C ATOM 1625 OG1 THR A 101 -4.167 1.700 -10.274 1.00 0.00 O ATOM 1626 CG2 THR A 101 -1.807 2.185 -10.232 1.00 0.00 C ATOM 0 H THR A 101 -1.384 1.998 -7.519 1.00 0.00 H new ATOM 0 HA THR A 101 -3.834 0.615 -7.924 1.00 0.00 H new ATOM 0 HB THR A 101 -3.262 2.886 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.280 2.441 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.963 3.007 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.972 2.422 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.583 1.275 -10.788 1.00 0.00 H new ATOM 1634 N MET A 102 -1.108 -0.685 -9.136 1.00 0.00 N ATOM 1635 CA MET A 102 -0.566 -1.884 -9.763 1.00 0.00 C ATOM 1636 C MET A 102 -0.525 -3.046 -8.775 1.00 0.00 C ATOM 1637 O MET A 102 -0.560 -4.210 -9.174 1.00 0.00 O ATOM 1638 CB MET A 102 0.831 -1.621 -10.336 1.00 0.00 C ATOM 1639 CG MET A 102 1.871 -1.232 -9.300 1.00 0.00 C ATOM 1640 SD MET A 102 3.525 -1.087 -10.006 1.00 0.00 S ATOM 1641 CE MET A 102 4.424 -0.339 -8.649 1.00 0.00 C ATOM 0 H MET A 102 -0.412 -0.086 -8.693 1.00 0.00 H new ATOM 0 HA MET A 102 -1.228 -2.156 -10.585 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.171 -2.516 -10.856 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.762 -0.827 -11.080 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.589 -0.283 -8.845 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.883 -1.976 -8.504 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.346 -0.893 -8.474 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.663 0.695 -8.897 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.810 -0.363 -7.749 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.496 -2.726 -7.483 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.721 -3.731 -6.450 1.00 0.00 C ATOM 1653 C ILE A 103 -2.098 -4.376 -6.601 1.00 0.00 C ATOM 1654 O ILE A 103 -2.209 -5.593 -6.754 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.599 -3.131 -5.034 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.865 -2.835 -4.710 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.194 -4.076 -3.997 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.067 -2.144 -3.380 1.00 0.00 C ATOM 0 H ILE A 103 -0.320 -1.785 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 103 0.051 -4.489 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.159 -2.196 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.424 -3.771 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.284 -2.212 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.098 -3.635 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.248 -4.243 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.662 -5.027 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.131 -1.967 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.537 -1.192 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.680 -2.775 -2.580 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.142 -3.556 -6.537 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.511 -4.063 -6.539 1.00 0.00 C ATOM 1672 C TYR A 104 -4.981 -4.374 -7.956 1.00 0.00 C ATOM 1673 O TYR A 104 -5.066 -3.483 -8.802 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.454 -3.053 -5.883 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.206 -2.863 -4.404 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.776 -3.720 -3.470 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.405 -1.827 -3.941 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.552 -3.551 -2.116 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.177 -1.651 -2.589 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.753 -2.515 -1.682 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.527 -2.341 -0.335 1.00 0.00 O ATOM 0 H TYR A 104 -3.067 -2.540 -6.483 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.526 -4.989 -5.964 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.350 -2.092 -6.386 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.483 -3.381 -6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.404 -4.531 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.953 -1.148 -4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.000 -4.227 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.551 -0.841 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.942 -1.567 -0.199 1.00 0.00 H new