USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 697 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 88 SER OG : rot 159:sc= -0.322! USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.03! C(o=-1.7!,f=-15!) USER MOD Set 1.3: A 142 CYS SG : rot 90:sc= -1.15 USER MOD Set 1.4: A 187 SER OG : rot -3:sc= 0.832! USER MOD Set 2.1: A 135 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 102 HIS : no HD1:sc= -13.5! C(o=-14!,f=-34!) USER MOD Set 3.2: A 107 GLN : amide:sc= -0.43 K(o=-14,f=-21!) USER MOD Single : A 79 MET CE :methyl -140:sc= -1.97 (180deg=-6.44!) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.01! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0.86 (180deg=0.507) USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= -0.159 (180deg=-0.866) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -130:sc= -0.133! USER MOD Single : A 104 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.8!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.954 X(o=-0.95,f=-1.3) USER MOD Single : A 117 THR OG1 : rot -92:sc= 0.996 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.138 F(o=-2.4,f=-0.14) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.4) USER MOD Single : A 126 ASN :FLIP amide:sc= -2.08 F(o=-3.1!,f=-2.1) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -93:sc= 1.29 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 144 LYS NZ :NH3+ -133:sc= 0.246 (180deg=0) USER MOD Single : A 192 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 HIS :FLIP no HD1:sc= -0.986 F(o=-2.9!,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.349 -1.505 -9.962 1.00 1.04 N ATOM 275 CA VAL A 74 19.525 -1.891 -9.124 1.00 0.93 C ATOM 276 C VAL A 74 19.491 -3.415 -8.949 1.00 0.86 C ATOM 277 O VAL A 74 18.434 -4.008 -9.021 1.00 0.89 O ATOM 278 CB VAL A 74 19.409 -1.212 -7.748 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.665 0.297 -7.874 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.002 -1.443 -7.187 1.00 1.38 C ATOM 0 HA VAL A 74 20.457 -1.581 -9.596 1.00 0.93 H new ATOM 0 HB VAL A 74 20.153 -1.642 -7.077 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.580 0.764 -6.893 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.667 0.464 -8.269 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.930 0.735 -8.550 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.916 -0.963 -6.212 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.265 -1.017 -7.867 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.823 -2.513 -7.082 1.00 1.38 H new ATOM 290 N PRO A 75 20.619 -4.053 -8.719 1.00 0.93 N ATOM 291 CA PRO A 75 20.671 -5.529 -8.529 1.00 1.00 C ATOM 292 C PRO A 75 19.422 -6.059 -7.814 1.00 0.88 C ATOM 293 O PRO A 75 19.155 -5.726 -6.677 1.00 0.84 O ATOM 294 CB PRO A 75 21.924 -5.711 -7.678 1.00 1.18 C ATOM 295 CG PRO A 75 22.854 -4.630 -8.148 1.00 1.37 C ATOM 296 CD PRO A 75 21.967 -3.458 -8.617 1.00 1.13 C ATOM 0 HA PRO A 75 20.700 -6.081 -9.469 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.701 -5.610 -6.616 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.360 -6.700 -7.819 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.519 -4.315 -7.344 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.485 -4.988 -8.962 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.987 -2.632 -7.906 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.302 -3.061 -9.575 1.00 1.13 H new ATOM 304 N LEU A 76 18.642 -6.858 -8.489 1.00 0.86 N ATOM 305 CA LEU A 76 17.393 -7.387 -7.873 1.00 0.77 C ATOM 306 C LEU A 76 17.716 -8.245 -6.648 1.00 0.77 C ATOM 307 O LEU A 76 18.036 -9.412 -6.758 1.00 0.85 O ATOM 308 CB LEU A 76 16.636 -8.242 -8.896 1.00 0.84 C ATOM 309 CG LEU A 76 16.088 -7.360 -10.029 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.493 -8.265 -11.113 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.996 -6.408 -9.496 1.00 0.76 C ATOM 0 H LEU A 76 18.817 -7.168 -9.445 1.00 0.86 H new ATOM 0 HA LEU A 76 16.778 -6.542 -7.563 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.300 -9.002 -9.307 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.816 -8.767 -8.406 1.00 0.84 H new ATOM 0 HG LEU A 76 16.899 -6.759 -10.441 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.100 -7.652 -11.924 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.268 -8.926 -11.501 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.687 -8.862 -10.686 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.620 -5.792 -10.313 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.177 -6.992 -9.076 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.418 -5.767 -8.722 1.00 0.76 H new ATOM 323 N ARG A 77 17.603 -7.679 -5.478 1.00 0.74 N ATOM 324 CA ARG A 77 17.866 -8.461 -4.239 1.00 0.79 C ATOM 325 C ARG A 77 16.611 -9.300 -3.949 1.00 0.71 C ATOM 326 O ARG A 77 15.552 -9.033 -4.483 1.00 0.73 O ATOM 327 CB ARG A 77 18.147 -7.479 -3.073 1.00 0.85 C ATOM 328 CG ARG A 77 19.649 -7.454 -2.728 1.00 1.19 C ATOM 329 CD ARG A 77 20.454 -6.828 -3.884 1.00 1.52 C ATOM 330 NE ARG A 77 21.755 -7.552 -4.041 1.00 2.13 N ATOM 331 CZ ARG A 77 22.522 -7.802 -3.012 1.00 2.66 C ATOM 332 NH1 ARG A 77 22.254 -7.284 -1.845 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.592 -8.533 -3.165 1.00 3.61 N ATOM 0 H ARG A 77 17.339 -6.705 -5.327 1.00 0.74 H new ATOM 0 HA ARG A 77 18.731 -9.114 -4.355 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.816 -6.477 -3.347 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.573 -7.776 -2.195 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.809 -6.883 -1.813 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.002 -8.467 -2.537 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.882 -6.883 -4.810 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.636 -5.772 -3.684 1.00 1.52 H new ATOM 0 HE ARG A 77 22.049 -7.856 -4.969 1.00 2.13 H new ATOM 0 HH11 ARG A 77 21.441 -6.679 -1.730 1.00 2.73 H new ATOM 0 HH12 ARG A 77 22.858 -7.484 -1.047 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.827 -8.907 -4.084 1.00 3.61 H new ATOM 0 HH22 ARG A 77 24.193 -8.731 -2.365 1.00 3.61 H new ATOM 347 N PRO A 78 16.718 -10.302 -3.118 1.00 0.79 N ATOM 348 CA PRO A 78 15.558 -11.173 -2.769 1.00 0.76 C ATOM 349 C PRO A 78 14.630 -10.511 -1.741 1.00 0.67 C ATOM 350 O PRO A 78 15.021 -10.247 -0.621 1.00 0.69 O ATOM 351 CB PRO A 78 16.226 -12.418 -2.181 1.00 0.86 C ATOM 352 CG PRO A 78 17.479 -11.904 -1.548 1.00 1.18 C ATOM 353 CD PRO A 78 17.946 -10.728 -2.418 1.00 1.06 C ATOM 0 HA PRO A 78 14.920 -11.384 -3.627 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.582 -12.906 -1.449 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.445 -13.154 -2.954 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.294 -11.581 -0.524 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.241 -12.682 -1.504 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.362 -9.922 -1.813 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.722 -11.033 -3.120 1.00 1.06 H new ATOM 361 N MET A 79 13.405 -10.247 -2.109 1.00 0.65 N ATOM 362 CA MET A 79 12.465 -9.611 -1.142 1.00 0.61 C ATOM 363 C MET A 79 12.223 -10.587 0.011 1.00 0.51 C ATOM 364 O MET A 79 11.578 -11.603 -0.147 1.00 0.56 O ATOM 365 CB MET A 79 11.142 -9.287 -1.847 1.00 0.66 C ATOM 366 CG MET A 79 10.360 -8.254 -1.030 1.00 0.74 C ATOM 367 SD MET A 79 8.691 -8.087 -1.708 1.00 1.25 S ATOM 368 CE MET A 79 8.325 -6.457 -1.016 1.00 0.83 C ATOM 0 H MET A 79 13.016 -10.443 -3.032 1.00 0.65 H new ATOM 0 HA MET A 79 12.889 -8.684 -0.757 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.337 -8.901 -2.848 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.550 -10.195 -1.965 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.311 -8.562 0.014 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.872 -7.292 -1.054 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.291 -6.432 -0.671 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.992 -6.260 -0.177 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.471 -5.695 -1.782 1.00 0.83 H new ATOM 378 N THR A 80 12.765 -10.297 1.163 1.00 0.56 N ATOM 379 CA THR A 80 12.600 -11.218 2.325 1.00 0.60 C ATOM 380 C THR A 80 11.309 -10.926 3.064 1.00 0.56 C ATOM 381 O THR A 80 10.851 -9.805 3.117 1.00 0.50 O ATOM 382 CB THR A 80 13.782 -11.043 3.284 1.00 0.77 C ATOM 383 OG1 THR A 80 13.563 -9.906 4.105 1.00 0.94 O ATOM 384 CG2 THR A 80 15.066 -10.847 2.476 1.00 0.73 C ATOM 0 H THR A 80 13.317 -9.460 1.350 1.00 0.56 H new ATOM 0 HA THR A 80 12.566 -12.242 1.954 1.00 0.60 H new ATOM 0 HB THR A 80 13.876 -11.930 3.911 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.381 -9.701 4.605 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.908 -10.722 3.156 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.235 -11.719 1.845 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.970 -9.960 1.850 1.00 0.73 H new ATOM 392 N TYR A 81 10.729 -11.932 3.675 1.00 0.61 N ATOM 393 CA TYR A 81 9.487 -11.699 4.458 1.00 0.60 C ATOM 394 C TYR A 81 9.812 -10.538 5.395 1.00 0.51 C ATOM 395 O TYR A 81 9.088 -9.568 5.498 1.00 0.45 O ATOM 396 CB TYR A 81 9.139 -12.989 5.240 1.00 0.69 C ATOM 397 CG TYR A 81 8.690 -12.673 6.656 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.512 -11.950 6.868 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.455 -13.100 7.750 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.093 -11.656 8.170 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.037 -12.806 9.053 1.00 0.77 C ATOM 402 CZ TYR A 81 7.857 -12.085 9.264 1.00 0.73 C ATOM 403 OH TYR A 81 7.445 -11.795 10.548 1.00 0.90 O ATOM 0 H TYR A 81 11.063 -12.896 3.662 1.00 0.61 H new ATOM 0 HA TYR A 81 8.624 -11.458 3.837 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.350 -13.531 4.719 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.009 -13.644 5.270 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.924 -11.618 6.025 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.367 -13.656 7.588 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.182 -11.099 8.332 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.626 -13.136 9.896 1.00 0.77 H new ATOM 0 HH TYR A 81 8.087 -12.165 11.189 1.00 0.90 H new ATOM 413 N LYS A 82 10.942 -10.632 6.032 1.00 0.52 N ATOM 414 CA LYS A 82 11.388 -9.542 6.919 1.00 0.48 C ATOM 415 C LYS A 82 11.469 -8.262 6.088 1.00 0.40 C ATOM 416 O LYS A 82 11.279 -7.174 6.594 1.00 0.38 O ATOM 417 CB LYS A 82 12.771 -9.875 7.477 1.00 0.55 C ATOM 418 CG LYS A 82 13.162 -8.837 8.537 1.00 0.60 C ATOM 419 CD LYS A 82 14.521 -9.204 9.165 1.00 0.92 C ATOM 420 CE LYS A 82 15.668 -8.640 8.315 1.00 1.49 C ATOM 421 NZ LYS A 82 15.787 -7.175 8.555 1.00 2.32 N ATOM 0 H LYS A 82 11.578 -11.427 5.972 1.00 0.52 H new ATOM 0 HA LYS A 82 10.692 -9.415 7.748 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.767 -10.873 7.915 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.507 -9.883 6.673 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.218 -7.847 8.084 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.396 -8.791 9.311 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.581 -8.807 10.178 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.614 -10.287 9.241 1.00 0.92 H new ATOM 0 HE2 LYS A 82 16.603 -9.139 8.570 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.481 -8.833 7.259 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.653 -6.818 8.102 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 14.960 -6.689 8.152 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 15.831 -6.993 9.578 1.00 2.32 H new ATOM 435 N ALA A 83 11.746 -8.376 4.805 1.00 0.42 N ATOM 436 CA ALA A 83 11.828 -7.136 3.974 1.00 0.41 C ATOM 437 C ALA A 83 10.459 -6.445 3.958 1.00 0.35 C ATOM 438 O ALA A 83 10.361 -5.239 4.066 1.00 0.34 O ATOM 439 CB ALA A 83 12.247 -7.485 2.541 1.00 0.52 C ATOM 0 H ALA A 83 11.914 -9.253 4.312 1.00 0.42 H new ATOM 0 HA ALA A 83 12.573 -6.466 4.404 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.303 -6.573 1.946 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.223 -7.970 2.555 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.513 -8.160 2.102 1.00 0.52 H new ATOM 445 N ALA A 84 9.402 -7.199 3.822 1.00 0.34 N ATOM 446 CA ALA A 84 8.042 -6.585 3.798 1.00 0.31 C ATOM 447 C ALA A 84 7.748 -5.915 5.143 1.00 0.28 C ATOM 448 O ALA A 84 7.342 -4.772 5.199 1.00 0.28 O ATOM 449 CB ALA A 84 6.997 -7.673 3.536 1.00 0.34 C ATOM 0 H ALA A 84 9.421 -8.214 3.726 1.00 0.34 H new ATOM 0 HA ALA A 84 8.002 -5.836 3.007 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.003 -7.226 3.518 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.199 -8.148 2.576 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.044 -8.421 4.327 1.00 0.34 H new ATOM 455 N VAL A 85 7.941 -6.617 6.227 1.00 0.29 N ATOM 456 CA VAL A 85 7.659 -6.015 7.563 1.00 0.29 C ATOM 457 C VAL A 85 8.601 -4.838 7.807 1.00 0.29 C ATOM 458 O VAL A 85 8.189 -3.791 8.268 1.00 0.30 O ATOM 459 CB VAL A 85 7.854 -7.065 8.661 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.227 -6.566 9.966 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.176 -8.371 8.245 1.00 0.38 C ATOM 0 H VAL A 85 8.281 -7.579 6.246 1.00 0.29 H new ATOM 0 HA VAL A 85 6.628 -5.663 7.584 1.00 0.29 H new ATOM 0 HB VAL A 85 8.920 -7.236 8.810 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.367 -7.314 10.746 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.706 -5.634 10.267 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.161 -6.394 9.815 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.315 -9.118 9.026 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.111 -8.196 8.095 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.619 -8.731 7.316 1.00 0.38 H new ATOM 471 N ASP A 86 9.858 -4.987 7.499 1.00 0.30 N ATOM 472 CA ASP A 86 10.800 -3.856 7.714 1.00 0.32 C ATOM 473 C ASP A 86 10.326 -2.676 6.868 1.00 0.30 C ATOM 474 O ASP A 86 10.230 -1.559 7.334 1.00 0.31 O ATOM 475 CB ASP A 86 12.211 -4.271 7.286 1.00 0.36 C ATOM 476 CG ASP A 86 12.841 -5.145 8.372 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.178 -5.389 9.367 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.976 -5.555 8.192 1.00 1.23 O ATOM 0 H ASP A 86 10.271 -5.835 7.111 1.00 0.30 H new ATOM 0 HA ASP A 86 10.824 -3.577 8.767 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.170 -4.817 6.344 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.825 -3.387 7.115 1.00 0.36 H new ATOM 483 N LEU A 87 10.013 -2.925 5.627 1.00 0.29 N ATOM 484 CA LEU A 87 9.526 -1.831 4.746 1.00 0.30 C ATOM 485 C LEU A 87 8.221 -1.272 5.317 1.00 0.29 C ATOM 486 O LEU A 87 7.996 -0.078 5.322 1.00 0.30 O ATOM 487 CB LEU A 87 9.283 -2.390 3.338 1.00 0.33 C ATOM 488 CG LEU A 87 8.881 -1.264 2.371 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.078 -0.336 2.094 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.404 -1.889 1.055 1.00 0.44 C ATOM 0 H LEU A 87 10.074 -3.842 5.185 1.00 0.29 H new ATOM 0 HA LEU A 87 10.268 -1.034 4.694 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.185 -2.883 2.976 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.498 -3.146 3.371 1.00 0.33 H new ATOM 0 HG LEU A 87 8.082 -0.674 2.821 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.774 0.455 1.408 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.419 0.107 3.030 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.889 -0.912 1.648 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.116 -1.100 0.361 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.210 -2.479 0.619 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.546 -2.533 1.248 1.00 0.44 H new ATOM 502 N SER A 88 7.353 -2.125 5.796 1.00 0.30 N ATOM 503 CA SER A 88 6.067 -1.630 6.359 1.00 0.34 C ATOM 504 C SER A 88 6.348 -0.578 7.436 1.00 0.33 C ATOM 505 O SER A 88 5.790 0.502 7.423 1.00 0.36 O ATOM 506 CB SER A 88 5.293 -2.797 6.976 1.00 0.40 C ATOM 507 OG SER A 88 5.704 -2.972 8.326 1.00 0.44 O ATOM 0 H SER A 88 7.480 -3.137 5.821 1.00 0.30 H new ATOM 0 HA SER A 88 5.474 -1.183 5.561 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.222 -2.601 6.932 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.474 -3.709 6.408 1.00 0.40 H new ATOM 0 HG SER A 88 5.009 -3.456 8.819 1.00 0.44 H new ATOM 513 N HIS A 89 7.204 -0.884 8.372 1.00 0.34 N ATOM 514 CA HIS A 89 7.511 0.098 9.450 1.00 0.36 C ATOM 515 C HIS A 89 8.367 1.233 8.892 1.00 0.36 C ATOM 516 O HIS A 89 8.345 2.339 9.393 1.00 0.41 O ATOM 517 CB HIS A 89 8.259 -0.601 10.586 1.00 0.41 C ATOM 518 CG HIS A 89 7.347 -1.601 11.244 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.724 -2.612 10.532 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.940 -1.753 12.545 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.982 -3.322 11.401 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.079 -2.841 12.643 1.00 0.82 N ATOM 0 H HIS A 89 7.704 -1.771 8.437 1.00 0.34 H new ATOM 0 HA HIS A 89 6.578 0.511 9.833 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.146 -1.102 10.198 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.600 0.132 11.317 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.812 -2.787 9.531 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.242 -1.123 13.369 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.381 -4.177 11.128 1.00 1.27 H new ATOM 530 N PHE A 90 9.118 0.986 7.858 1.00 0.34 N ATOM 531 CA PHE A 90 9.949 2.079 7.293 1.00 0.37 C ATOM 532 C PHE A 90 9.024 3.217 6.860 1.00 0.40 C ATOM 533 O PHE A 90 9.113 4.328 7.343 1.00 0.47 O ATOM 534 CB PHE A 90 10.729 1.560 6.083 1.00 0.38 C ATOM 535 CG PHE A 90 11.620 2.657 5.552 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.099 3.623 4.684 1.00 0.59 C ATOM 537 CD2 PHE A 90 12.967 2.707 5.929 1.00 0.57 C ATOM 538 CE1 PHE A 90 11.925 4.640 4.192 1.00 0.70 C ATOM 539 CE2 PHE A 90 13.794 3.723 5.436 1.00 0.69 C ATOM 540 CZ PHE A 90 13.273 4.691 4.568 1.00 0.72 C ATOM 0 H PHE A 90 9.192 0.085 7.385 1.00 0.34 H new ATOM 0 HA PHE A 90 10.656 2.436 8.042 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.328 0.695 6.367 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.039 1.229 5.307 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.059 3.584 4.394 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.368 1.962 6.600 1.00 0.57 H new ATOM 0 HE1 PHE A 90 11.523 5.386 3.522 1.00 0.70 H new ATOM 0 HE2 PHE A 90 14.834 3.761 5.725 1.00 0.69 H new ATOM 0 HZ PHE A 90 13.910 5.476 4.189 1.00 0.72 H new ATOM 550 N LEU A 91 8.135 2.941 5.949 1.00 0.37 N ATOM 551 CA LEU A 91 7.193 3.988 5.467 1.00 0.42 C ATOM 552 C LEU A 91 6.264 4.447 6.602 1.00 0.47 C ATOM 553 O LEU A 91 5.625 5.474 6.504 1.00 0.57 O ATOM 554 CB LEU A 91 6.353 3.419 4.318 1.00 0.41 C ATOM 555 CG LEU A 91 7.275 2.949 3.175 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.531 1.943 2.294 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.705 4.145 2.314 1.00 0.54 C ATOM 0 H LEU A 91 8.019 2.026 5.513 1.00 0.37 H new ATOM 0 HA LEU A 91 7.768 4.847 5.121 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.749 2.585 4.676 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.662 4.178 3.951 1.00 0.41 H new ATOM 0 HG LEU A 91 8.158 2.480 3.609 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.185 1.613 1.487 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.233 1.084 2.895 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.644 2.415 1.872 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.356 3.800 1.511 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.823 4.622 1.887 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.242 4.864 2.932 1.00 0.54 H new ATOM 569 N LYS A 92 6.161 3.699 7.670 1.00 0.45 N ATOM 570 CA LYS A 92 5.244 4.125 8.771 1.00 0.53 C ATOM 571 C LYS A 92 5.703 5.465 9.358 1.00 0.63 C ATOM 572 O LYS A 92 4.942 6.407 9.440 1.00 0.85 O ATOM 573 CB LYS A 92 5.235 3.066 9.881 1.00 0.54 C ATOM 574 CG LYS A 92 4.373 3.551 11.051 1.00 0.73 C ATOM 575 CD LYS A 92 4.205 2.423 12.069 1.00 1.20 C ATOM 576 CE LYS A 92 3.551 2.977 13.337 1.00 1.61 C ATOM 577 NZ LYS A 92 4.462 3.971 13.972 1.00 2.27 N ATOM 0 H LYS A 92 6.663 2.825 7.827 1.00 0.45 H new ATOM 0 HA LYS A 92 4.240 4.237 8.362 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.845 2.124 9.495 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.252 2.874 10.222 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.839 4.415 11.525 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.398 3.874 10.687 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.591 1.627 11.648 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.175 1.986 12.308 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.598 3.446 13.092 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.338 2.166 14.033 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 4.278 4.007 14.995 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 5.450 3.691 13.808 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.295 4.910 13.557 1.00 2.27 H new ATOM 591 N GLU A 93 6.929 5.549 9.790 1.00 0.62 N ATOM 592 CA GLU A 93 7.421 6.819 10.397 1.00 0.76 C ATOM 593 C GLU A 93 7.538 7.917 9.337 1.00 0.77 C ATOM 594 O GLU A 93 6.815 8.895 9.359 1.00 1.05 O ATOM 595 CB GLU A 93 8.793 6.577 11.029 1.00 0.94 C ATOM 596 CG GLU A 93 8.638 5.685 12.262 1.00 1.22 C ATOM 597 CD GLU A 93 10.005 5.471 12.914 1.00 2.00 C ATOM 598 OE1 GLU A 93 10.703 4.562 12.497 1.00 2.73 O ATOM 599 OE2 GLU A 93 10.331 6.221 13.821 1.00 2.54 O ATOM 0 H GLU A 93 7.613 4.794 9.750 1.00 0.62 H new ATOM 0 HA GLU A 93 6.709 7.143 11.156 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.459 6.105 10.307 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.248 7.527 11.309 1.00 0.94 H new ATOM 0 HG2 GLU A 93 7.953 6.146 12.973 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.205 4.726 11.978 1.00 1.22 H new ATOM 606 N LYS A 94 8.460 7.778 8.427 1.00 0.80 N ATOM 607 CA LYS A 94 8.644 8.831 7.385 1.00 1.02 C ATOM 608 C LYS A 94 7.539 8.742 6.327 1.00 0.96 C ATOM 609 O LYS A 94 6.856 9.710 6.057 1.00 1.41 O ATOM 610 CB LYS A 94 10.017 8.648 6.719 1.00 1.39 C ATOM 611 CG LYS A 94 11.112 9.229 7.620 1.00 1.63 C ATOM 612 CD LYS A 94 11.090 8.524 8.980 1.00 2.18 C ATOM 613 CE LYS A 94 12.392 8.814 9.729 1.00 2.61 C ATOM 614 NZ LYS A 94 12.405 8.057 11.012 1.00 2.96 N ATOM 0 H LYS A 94 9.095 6.983 8.358 1.00 0.80 H new ATOM 0 HA LYS A 94 8.590 9.812 7.858 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.206 7.590 6.538 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.030 9.145 5.749 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.088 9.103 7.150 1.00 1.63 H new ATOM 0 HG3 LYS A 94 10.957 10.300 7.752 1.00 1.63 H new ATOM 0 HD2 LYS A 94 10.237 8.868 9.566 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.969 7.449 8.842 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.248 8.528 9.117 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.482 9.883 9.924 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.290 8.253 11.522 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.596 8.350 11.596 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 12.338 7.038 10.815 1.00 2.96 H new ATOM 628 N GLY A 95 7.367 7.604 5.712 1.00 1.12 N ATOM 629 CA GLY A 95 6.317 7.475 4.659 1.00 1.51 C ATOM 630 C GLY A 95 5.004 8.106 5.141 1.00 1.10 C ATOM 631 O GLY A 95 4.607 9.158 4.681 1.00 1.71 O ATOM 0 H GLY A 95 7.907 6.758 5.892 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.649 7.963 3.742 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.158 6.423 4.421 1.00 1.51 H new ATOM 635 N GLY A 96 4.328 7.473 6.062 1.00 1.17 N ATOM 636 CA GLY A 96 3.041 8.041 6.565 1.00 0.99 C ATOM 637 C GLY A 96 1.901 7.654 5.617 1.00 0.81 C ATOM 638 O GLY A 96 1.039 8.453 5.308 1.00 0.83 O ATOM 0 H GLY A 96 4.609 6.590 6.488 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.835 7.668 7.568 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.115 9.126 6.637 1.00 0.99 H new ATOM 642 N LEU A 97 1.892 6.434 5.158 1.00 0.67 N ATOM 643 CA LEU A 97 0.815 5.977 4.233 1.00 0.55 C ATOM 644 C LEU A 97 -0.417 5.589 5.060 1.00 0.46 C ATOM 645 O LEU A 97 -1.535 5.612 4.584 1.00 0.49 O ATOM 646 CB LEU A 97 1.338 4.763 3.451 1.00 0.54 C ATOM 647 CG LEU A 97 0.273 4.229 2.477 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.081 5.203 1.304 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.731 2.866 1.944 1.00 0.66 C ATOM 0 H LEU A 97 2.591 5.727 5.386 1.00 0.67 H new ATOM 0 HA LEU A 97 0.537 6.767 3.536 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.234 5.042 2.897 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.626 3.975 4.147 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.677 4.128 3.002 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.676 4.810 0.625 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.241 6.172 1.685 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.024 5.319 0.769 1.00 0.65 H new ATOM 0 HD21 LEU A 97 -0.016 2.476 1.252 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.683 2.979 1.425 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.852 2.172 2.776 1.00 0.66 H new ATOM 661 N GLU A 98 -0.212 5.230 6.297 1.00 0.44 N ATOM 662 CA GLU A 98 -1.348 4.828 7.177 1.00 0.40 C ATOM 663 C GLU A 98 -2.467 5.871 7.129 1.00 0.40 C ATOM 664 O GLU A 98 -2.238 7.055 6.977 1.00 0.58 O ATOM 665 CB GLU A 98 -0.835 4.705 8.616 1.00 0.49 C ATOM 666 CG GLU A 98 -1.999 4.446 9.577 1.00 0.48 C ATOM 667 CD GLU A 98 -1.445 4.104 10.962 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.257 4.295 11.165 1.00 1.94 O ATOM 669 OE2 GLU A 98 -2.217 3.660 11.795 1.00 2.03 O ATOM 0 H GLU A 98 0.705 5.197 6.742 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.747 3.875 6.829 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.112 3.892 8.683 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.315 5.619 8.903 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.640 5.326 9.636 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.616 3.627 9.207 1.00 0.48 H new ATOM 676 N GLY A 99 -3.677 5.419 7.295 1.00 0.39 N ATOM 677 CA GLY A 99 -4.853 6.335 7.305 1.00 0.42 C ATOM 678 C GLY A 99 -4.857 7.263 6.085 1.00 0.42 C ATOM 679 O GLY A 99 -5.702 8.127 5.967 1.00 0.46 O ATOM 0 H GLY A 99 -3.906 4.434 7.427 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.772 5.748 7.319 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.842 6.932 8.217 1.00 0.42 H new ATOM 683 N LEU A 100 -3.937 7.104 5.175 1.00 0.41 N ATOM 684 CA LEU A 100 -3.930 8.002 3.978 1.00 0.43 C ATOM 685 C LEU A 100 -5.038 7.568 3.012 1.00 0.42 C ATOM 686 O LEU A 100 -5.030 6.462 2.508 1.00 0.44 O ATOM 687 CB LEU A 100 -2.569 7.917 3.271 1.00 0.45 C ATOM 688 CG LEU A 100 -2.381 9.132 2.337 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.946 10.372 3.137 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.308 8.808 1.291 1.00 1.17 C ATOM 0 H LEU A 100 -3.197 6.402 5.203 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.104 9.030 4.296 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.768 7.888 4.009 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.506 6.993 2.696 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.332 9.344 1.848 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.819 11.216 2.459 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.708 10.613 3.878 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.002 10.167 3.641 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.174 9.664 0.630 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.366 8.585 1.793 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.620 7.943 0.705 1.00 1.17 H new ATOM 702 N ILE A 101 -5.996 8.421 2.747 1.00 0.44 N ATOM 703 CA ILE A 101 -7.087 8.021 1.814 1.00 0.45 C ATOM 704 C ILE A 101 -6.502 7.723 0.430 1.00 0.46 C ATOM 705 O ILE A 101 -6.082 8.605 -0.293 1.00 0.49 O ATOM 706 CB ILE A 101 -8.177 9.116 1.747 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.131 8.971 2.958 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.982 9.006 0.442 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.177 7.853 2.723 1.00 0.52 C ATOM 0 H ILE A 101 -6.068 9.363 3.131 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.562 7.113 2.186 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.691 10.091 1.773 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.552 8.747 3.854 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.642 9.917 3.136 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.743 9.786 0.417 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.312 9.125 -0.410 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.463 8.029 0.392 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.831 7.778 3.592 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.772 8.091 1.841 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.666 6.903 2.570 1.00 0.52 H new ATOM 721 N HIS A 102 -6.489 6.470 0.065 1.00 0.47 N ATOM 722 CA HIS A 102 -5.955 6.067 -1.260 1.00 0.51 C ATOM 723 C HIS A 102 -6.818 6.684 -2.365 1.00 0.58 C ATOM 724 O HIS A 102 -7.934 6.258 -2.611 1.00 0.64 O ATOM 725 CB HIS A 102 -5.961 4.524 -1.361 1.00 0.57 C ATOM 726 CG HIS A 102 -5.912 4.073 -2.801 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.972 4.269 -3.671 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.943 3.429 -3.529 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.621 3.752 -4.863 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.392 3.227 -4.831 1.00 0.70 N ATOM 0 H HIS A 102 -6.832 5.700 0.640 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.932 6.424 -1.377 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.106 4.118 -0.820 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.857 4.129 -0.883 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.979 3.125 -3.149 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.254 3.760 -5.738 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.891 2.775 -5.596 1.00 0.70 H new ATOM 738 N SER A 103 -6.292 7.675 -3.037 1.00 0.60 N ATOM 739 CA SER A 103 -7.044 8.320 -4.145 1.00 0.69 C ATOM 740 C SER A 103 -7.078 7.368 -5.343 1.00 0.76 C ATOM 741 O SER A 103 -7.627 6.285 -5.269 1.00 0.85 O ATOM 742 CB SER A 103 -6.353 9.627 -4.541 1.00 0.74 C ATOM 743 OG SER A 103 -5.119 9.331 -5.179 1.00 1.49 O ATOM 0 H SER A 103 -5.366 8.065 -2.861 1.00 0.60 H new ATOM 0 HA SER A 103 -8.062 8.540 -3.823 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.993 10.202 -5.210 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.181 10.243 -3.658 1.00 0.74 H new ATOM 0 HG SER A 103 -4.404 9.861 -4.770 1.00 1.49 H new ATOM 749 N GLN A 104 -6.487 7.757 -6.448 1.00 0.81 N ATOM 750 CA GLN A 104 -6.482 6.872 -7.655 1.00 0.92 C ATOM 751 C GLN A 104 -5.179 7.075 -8.451 1.00 0.93 C ATOM 752 O GLN A 104 -5.198 7.138 -9.664 1.00 1.37 O ATOM 753 CB GLN A 104 -7.676 7.230 -8.557 1.00 1.06 C ATOM 754 CG GLN A 104 -8.977 6.665 -7.978 1.00 1.76 C ATOM 755 CD GLN A 104 -8.956 5.135 -8.055 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.254 4.566 -8.866 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.703 4.443 -7.238 1.00 2.70 N ATOM 0 H GLN A 104 -6.008 8.650 -6.566 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.554 5.833 -7.333 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.754 8.313 -8.653 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.514 6.832 -9.559 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -9.094 6.985 -6.943 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.832 7.055 -8.531 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -10.293 4.921 -6.557 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.697 3.424 -7.281 1.00 2.70 H new ATOM 766 N ARG A 105 -4.047 7.177 -7.796 1.00 0.83 N ATOM 767 CA ARG A 105 -2.779 7.370 -8.564 1.00 0.87 C ATOM 768 C ARG A 105 -1.546 7.132 -7.678 1.00 0.74 C ATOM 769 O ARG A 105 -0.624 6.434 -8.061 1.00 0.70 O ATOM 770 CB ARG A 105 -2.737 8.797 -9.123 1.00 1.06 C ATOM 771 CG ARG A 105 -2.801 9.815 -7.973 1.00 1.71 C ATOM 772 CD ARG A 105 -3.193 11.212 -8.512 1.00 1.99 C ATOM 773 NE ARG A 105 -2.290 12.260 -7.932 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.020 12.296 -6.653 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.606 11.470 -5.829 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.181 13.182 -6.192 1.00 4.61 N ATOM 0 H ARG A 105 -3.947 7.136 -6.782 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.758 6.645 -9.378 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.823 8.944 -9.699 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.573 8.954 -9.805 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.527 9.488 -7.229 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.834 9.869 -7.472 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.124 11.223 -9.600 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -4.229 11.432 -8.256 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.878 12.960 -8.549 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.280 10.790 -6.182 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -2.390 11.504 -4.833 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -0.738 13.844 -6.829 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -0.968 13.213 -5.195 1.00 4.61 H new ATOM 790 N ARG A 106 -1.501 7.713 -6.510 1.00 0.71 N ATOM 791 CA ARG A 106 -0.303 7.519 -5.637 1.00 0.65 C ATOM 792 C ARG A 106 -0.030 6.022 -5.403 1.00 0.54 C ATOM 793 O ARG A 106 1.042 5.647 -4.971 1.00 0.50 O ATOM 794 CB ARG A 106 -0.485 8.293 -4.305 1.00 0.70 C ATOM 795 CG ARG A 106 -1.223 7.476 -3.225 1.00 1.01 C ATOM 796 CD ARG A 106 -2.701 7.321 -3.588 1.00 1.24 C ATOM 797 NE ARG A 106 -2.845 6.527 -4.834 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.981 5.957 -5.116 1.00 2.48 C ATOM 799 NH1 ARG A 106 -4.977 6.058 -4.289 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.119 5.281 -6.223 1.00 3.29 N ATOM 0 H ARG A 106 -2.233 8.309 -6.123 1.00 0.71 H new ATOM 0 HA ARG A 106 0.574 7.925 -6.142 1.00 0.65 H new ATOM 0 HB2 ARG A 106 0.494 8.585 -3.925 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.039 9.212 -4.499 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -0.762 6.493 -3.125 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -1.130 7.971 -2.259 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.233 6.831 -2.773 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.155 8.303 -3.720 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.053 6.428 -5.470 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -4.868 6.583 -3.421 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -5.868 5.613 -4.507 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.335 5.198 -6.871 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -5.010 4.836 -6.441 1.00 3.29 H new ATOM 814 N GLN A 107 -0.974 5.159 -5.689 1.00 0.55 N ATOM 815 CA GLN A 107 -0.729 3.701 -5.481 1.00 0.52 C ATOM 816 C GLN A 107 0.422 3.269 -6.392 1.00 0.49 C ATOM 817 O GLN A 107 1.376 2.649 -5.960 1.00 0.44 O ATOM 818 CB GLN A 107 -1.995 2.907 -5.827 1.00 0.63 C ATOM 819 CG GLN A 107 -2.330 3.065 -7.316 1.00 1.11 C ATOM 820 CD GLN A 107 -3.795 2.691 -7.558 1.00 1.53 C ATOM 821 OE1 GLN A 107 -4.391 1.978 -6.774 1.00 2.13 O ATOM 822 NE2 GLN A 107 -4.406 3.145 -8.618 1.00 2.12 N ATOM 0 H GLN A 107 -1.895 5.400 -6.054 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.472 3.509 -4.439 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -1.848 1.853 -5.590 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.830 3.257 -5.220 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -2.150 4.093 -7.632 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.678 2.429 -7.915 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.908 3.743 -9.277 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -5.382 2.902 -8.788 1.00 2.12 H new ATOM 831 N ASP A 108 0.348 3.612 -7.649 1.00 0.56 N ATOM 832 CA ASP A 108 1.442 3.244 -8.586 1.00 0.59 C ATOM 833 C ASP A 108 2.733 3.904 -8.104 1.00 0.54 C ATOM 834 O ASP A 108 3.779 3.288 -8.050 1.00 0.54 O ATOM 835 CB ASP A 108 1.100 3.744 -9.992 1.00 0.72 C ATOM 836 CG ASP A 108 -0.154 3.028 -10.498 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.023 1.916 -10.979 1.00 1.33 O ATOM 838 OD2 ASP A 108 -1.223 3.606 -10.397 1.00 1.42 O ATOM 0 H ASP A 108 -0.424 4.132 -8.066 1.00 0.56 H new ATOM 0 HA ASP A 108 1.565 2.161 -8.615 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.935 4.821 -9.976 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.935 3.559 -10.668 1.00 0.72 H new ATOM 843 N ILE A 109 2.658 5.156 -7.743 1.00 0.55 N ATOM 844 CA ILE A 109 3.870 5.870 -7.250 1.00 0.54 C ATOM 845 C ILE A 109 4.548 5.024 -6.168 1.00 0.47 C ATOM 846 O ILE A 109 5.754 4.877 -6.147 1.00 0.53 O ATOM 847 CB ILE A 109 3.445 7.222 -6.660 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.743 8.065 -7.742 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.664 7.979 -6.123 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.647 8.249 -8.970 1.00 1.47 C ATOM 0 H ILE A 109 1.806 5.717 -7.768 1.00 0.55 H new ATOM 0 HA ILE A 109 4.569 6.033 -8.071 1.00 0.54 H new ATOM 0 HB ILE A 109 2.754 7.042 -5.836 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.814 7.580 -8.040 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.477 9.040 -7.333 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.345 8.935 -5.708 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.145 7.388 -5.344 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.371 8.153 -6.934 1.00 0.63 H new ATOM 0 HD11 ILE A 109 3.127 8.847 -9.718 1.00 1.47 H new ATOM 0 HD12 ILE A 109 4.565 8.756 -8.673 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.891 7.274 -9.391 1.00 1.47 H new ATOM 862 N LEU A 110 3.783 4.466 -5.271 1.00 0.43 N ATOM 863 CA LEU A 110 4.382 3.632 -4.191 1.00 0.39 C ATOM 864 C LEU A 110 5.265 2.548 -4.815 1.00 0.38 C ATOM 865 O LEU A 110 6.475 2.576 -4.701 1.00 0.38 O ATOM 866 CB LEU A 110 3.255 2.981 -3.375 1.00 0.42 C ATOM 867 CG LEU A 110 3.829 2.140 -2.221 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.487 3.049 -1.171 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.686 1.353 -1.571 1.00 0.66 C ATOM 0 H LEU A 110 2.767 4.552 -5.239 1.00 0.43 H new ATOM 0 HA LEU A 110 4.991 4.255 -3.536 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.597 3.753 -2.976 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.648 2.349 -4.024 1.00 0.42 H new ATOM 0 HG LEU A 110 4.584 1.458 -2.612 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.888 2.439 -0.362 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.296 3.614 -1.634 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.745 3.740 -0.771 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.078 0.752 -0.751 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.939 2.047 -1.187 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.227 0.699 -2.312 1.00 0.66 H new ATOM 881 N ASP A 111 4.669 1.588 -5.468 1.00 0.40 N ATOM 882 CA ASP A 111 5.473 0.498 -6.090 1.00 0.42 C ATOM 883 C ASP A 111 6.605 1.101 -6.930 1.00 0.43 C ATOM 884 O ASP A 111 7.698 0.574 -6.986 1.00 0.42 O ATOM 885 CB ASP A 111 4.568 -0.351 -6.987 1.00 0.50 C ATOM 886 CG ASP A 111 3.618 -1.175 -6.116 1.00 0.59 C ATOM 887 OD1 ASP A 111 4.077 -2.134 -5.516 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.447 -0.834 -6.063 1.00 1.19 O ATOM 0 H ASP A 111 3.660 1.511 -5.598 1.00 0.40 H new ATOM 0 HA ASP A 111 5.902 -0.126 -5.306 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.998 0.291 -7.659 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.171 -1.010 -7.611 1.00 0.50 H new ATOM 893 N LEU A 112 6.350 2.198 -7.589 1.00 0.48 N ATOM 894 CA LEU A 112 7.406 2.831 -8.430 1.00 0.52 C ATOM 895 C LEU A 112 8.547 3.338 -7.543 1.00 0.48 C ATOM 896 O LEU A 112 9.687 2.953 -7.708 1.00 0.47 O ATOM 897 CB LEU A 112 6.791 4.001 -9.207 1.00 0.60 C ATOM 898 CG LEU A 112 7.665 4.358 -10.416 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.948 5.422 -11.252 1.00 1.45 C ATOM 900 CD2 LEU A 112 9.031 4.896 -9.946 1.00 1.26 C ATOM 0 H LEU A 112 5.454 2.685 -7.581 1.00 0.48 H new ATOM 0 HA LEU A 112 7.806 2.096 -9.129 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.788 3.737 -9.541 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.692 4.868 -8.553 1.00 0.60 H new ATOM 0 HG LEU A 112 7.832 3.465 -11.018 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.562 5.682 -12.114 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.990 5.031 -11.594 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.781 6.311 -10.644 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.642 5.146 -10.814 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.881 5.789 -9.339 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.537 4.135 -9.353 1.00 1.26 H new ATOM 912 N TRP A 113 8.251 4.202 -6.610 1.00 0.48 N ATOM 913 CA TRP A 113 9.323 4.739 -5.720 1.00 0.48 C ATOM 914 C TRP A 113 10.206 3.589 -5.231 1.00 0.43 C ATOM 915 O TRP A 113 11.418 3.663 -5.275 1.00 0.45 O ATOM 916 CB TRP A 113 8.680 5.444 -4.525 1.00 0.52 C ATOM 917 CG TRP A 113 9.739 5.909 -3.577 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.471 7.038 -3.718 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.190 5.280 -2.344 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.344 7.141 -2.650 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.208 6.079 -1.775 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.817 4.104 -1.671 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.835 5.723 -0.580 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.443 3.741 -0.469 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.451 4.550 0.077 1.00 0.67 C ATOM 0 H TRP A 113 7.314 4.560 -6.425 1.00 0.48 H new ATOM 0 HA TRP A 113 9.937 5.450 -6.272 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.089 6.293 -4.868 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.997 4.765 -4.016 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.387 7.744 -4.531 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.007 7.906 -2.523 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.042 3.474 -2.083 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.611 6.349 -0.166 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.148 2.835 0.038 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.929 4.267 1.003 1.00 0.67 H new ATOM 936 N ILE A 114 9.613 2.520 -4.779 1.00 0.39 N ATOM 937 CA ILE A 114 10.431 1.369 -4.309 1.00 0.37 C ATOM 938 C ILE A 114 11.293 0.859 -5.470 1.00 0.39 C ATOM 939 O ILE A 114 12.381 0.354 -5.275 1.00 0.44 O ATOM 940 CB ILE A 114 9.511 0.245 -3.826 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.581 0.790 -2.738 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.360 -0.894 -3.256 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.573 -0.286 -2.326 1.00 1.00 C ATOM 0 H ILE A 114 8.603 2.394 -4.715 1.00 0.39 H new ATOM 0 HA ILE A 114 11.070 1.688 -3.486 1.00 0.37 H new ATOM 0 HB ILE A 114 8.916 -0.130 -4.658 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.165 1.104 -1.873 1.00 0.37 H new ATOM 0 HG13 ILE A 114 8.055 1.672 -3.105 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.708 -1.696 -2.911 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.025 -1.275 -4.031 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.952 -0.523 -2.420 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.915 0.109 -1.552 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.979 -0.579 -3.192 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.106 -1.155 -1.940 1.00 1.00 H new ATOM 955 N TYR A 115 10.801 0.976 -6.675 1.00 0.40 N ATOM 956 CA TYR A 115 11.569 0.486 -7.857 1.00 0.46 C ATOM 957 C TYR A 115 12.853 1.309 -8.060 1.00 0.51 C ATOM 958 O TYR A 115 13.950 0.793 -7.985 1.00 0.54 O ATOM 959 CB TYR A 115 10.682 0.597 -9.106 1.00 0.53 C ATOM 960 CG TYR A 115 11.189 -0.334 -10.186 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.052 -1.720 -10.034 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.790 0.185 -11.340 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.516 -2.585 -11.033 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.255 -0.679 -12.338 1.00 0.82 C ATOM 965 CZ TYR A 115 12.118 -2.064 -12.185 1.00 0.77 C ATOM 966 OH TYR A 115 12.575 -2.915 -13.169 1.00 0.87 O ATOM 0 H TYR A 115 9.895 1.392 -6.892 1.00 0.40 H new ATOM 0 HA TYR A 115 11.855 -0.552 -7.687 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.651 0.347 -8.854 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.681 1.624 -9.471 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.588 -2.122 -9.145 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.895 1.253 -11.460 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.410 -3.653 -10.915 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.720 -0.277 -13.226 1.00 0.82 H new ATOM 0 HH TYR A 115 12.964 -2.391 -13.900 1.00 0.87 H new ATOM 976 N HIS A 116 12.728 2.578 -8.343 1.00 0.58 N ATOM 977 CA HIS A 116 13.942 3.420 -8.578 1.00 0.67 C ATOM 978 C HIS A 116 14.853 3.415 -7.345 1.00 0.67 C ATOM 979 O HIS A 116 15.981 3.860 -7.407 1.00 0.81 O ATOM 980 CB HIS A 116 13.505 4.859 -8.874 1.00 0.79 C ATOM 981 CG HIS A 116 12.948 4.947 -10.269 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.242 4.006 -11.244 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.117 5.862 -10.869 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.599 4.373 -12.368 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.898 5.497 -12.194 1.00 2.74 N ATOM 0 H HIS A 116 11.838 3.070 -8.422 1.00 0.58 H new ATOM 0 HA HIS A 116 14.495 3.010 -9.423 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.753 5.176 -8.152 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.353 5.535 -8.768 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.698 6.732 -10.386 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.644 3.825 -13.298 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.325 5.983 -12.884 1.00 2.74 H new ATOM 993 N THR A 117 14.379 2.934 -6.223 1.00 0.63 N ATOM 994 CA THR A 117 15.229 2.925 -4.987 1.00 0.68 C ATOM 995 C THR A 117 15.779 1.521 -4.719 1.00 0.66 C ATOM 996 O THR A 117 16.922 1.226 -5.009 1.00 0.73 O ATOM 997 CB THR A 117 14.384 3.365 -3.792 1.00 0.80 C ATOM 998 OG1 THR A 117 13.176 2.621 -3.772 1.00 0.85 O ATOM 999 CG2 THR A 117 14.067 4.856 -3.911 1.00 0.91 C ATOM 0 H THR A 117 13.442 2.547 -6.107 1.00 0.63 H new ATOM 0 HA THR A 117 16.065 3.609 -5.133 1.00 0.68 H new ATOM 0 HB THR A 117 14.936 3.187 -2.869 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.485 3.106 -4.269 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.464 5.169 -3.058 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.996 5.425 -3.927 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.514 5.038 -4.833 1.00 0.91 H new ATOM 1007 N GLN A 118 14.984 0.661 -4.145 1.00 0.73 N ATOM 1008 CA GLN A 118 15.470 -0.715 -3.828 1.00 0.83 C ATOM 1009 C GLN A 118 15.395 -1.610 -5.070 1.00 0.72 C ATOM 1010 O GLN A 118 16.097 -2.595 -5.175 1.00 0.91 O ATOM 1011 CB GLN A 118 14.597 -1.301 -2.720 1.00 1.06 C ATOM 1012 CG GLN A 118 14.639 -0.378 -1.499 1.00 1.48 C ATOM 1013 CD GLN A 118 13.644 -0.865 -0.442 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.549 -1.470 -0.816 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.867 -0.693 0.740 1.00 2.13 N flip ATOM 0 H GLN A 118 14.017 0.850 -3.881 1.00 0.73 H new ATOM 0 HA GLN A 118 16.509 -0.664 -3.502 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.571 -1.412 -3.071 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.951 -2.296 -2.450 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.646 -0.359 -1.082 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.397 0.643 -1.795 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.722 -0.221 1.034 1.00 2.13 H new ATOM 0 HE22 GLN A 118 13.199 -1.021 1.438 1.00 2.13 H new ATOM 1024 N GLY A 119 14.564 -1.271 -6.015 1.00 0.86 N ATOM 1025 CA GLY A 119 14.465 -2.102 -7.250 1.00 0.85 C ATOM 1026 C GLY A 119 13.721 -3.410 -6.968 1.00 0.65 C ATOM 1027 O GLY A 119 13.781 -4.339 -7.749 1.00 0.67 O ATOM 0 H GLY A 119 13.950 -0.457 -5.987 1.00 0.86 H new ATOM 0 HA2 GLY A 119 13.945 -1.544 -8.029 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.464 -2.321 -7.627 1.00 0.85 H new ATOM 1031 N TYR A 120 13.006 -3.499 -5.879 1.00 0.54 N ATOM 1032 CA TYR A 120 12.263 -4.762 -5.603 1.00 0.44 C ATOM 1033 C TYR A 120 11.073 -4.833 -6.563 1.00 0.49 C ATOM 1034 O TYR A 120 10.352 -3.872 -6.744 1.00 0.70 O ATOM 1035 CB TYR A 120 11.750 -4.771 -4.151 1.00 0.48 C ATOM 1036 CG TYR A 120 12.836 -5.263 -3.212 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.330 -6.569 -3.330 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.342 -4.415 -2.222 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.328 -7.021 -2.458 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.339 -4.867 -1.350 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.832 -6.169 -1.468 1.00 0.75 C ATOM 1042 OH TYR A 120 15.816 -6.616 -0.609 1.00 0.91 O ATOM 0 H TYR A 120 12.905 -2.765 -5.178 1.00 0.54 H new ATOM 0 HA TYR A 120 12.923 -5.618 -5.744 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.437 -3.768 -3.862 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.873 -5.413 -4.072 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.941 -7.227 -4.093 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.962 -3.408 -2.130 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.709 -8.027 -2.549 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.727 -4.210 -0.586 1.00 0.71 H new ATOM 0 HH TYR A 120 16.054 -5.900 0.016 1.00 0.91 H new ATOM 1052 N PHE A 121 10.865 -5.959 -7.183 1.00 0.48 N ATOM 1053 CA PHE A 121 9.724 -6.078 -8.134 1.00 0.57 C ATOM 1054 C PHE A 121 8.416 -6.179 -7.318 1.00 0.55 C ATOM 1055 O PHE A 121 8.346 -6.936 -6.370 1.00 0.59 O ATOM 1056 CB PHE A 121 9.919 -7.342 -9.003 1.00 0.68 C ATOM 1057 CG PHE A 121 9.481 -7.076 -10.431 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.352 -6.436 -11.321 1.00 2.32 C ATOM 1059 CD2 PHE A 121 8.208 -7.469 -10.860 1.00 2.33 C ATOM 1060 CE1 PHE A 121 9.952 -6.191 -12.639 1.00 3.44 C ATOM 1061 CE2 PHE A 121 7.807 -7.223 -12.179 1.00 3.43 C ATOM 1062 CZ PHE A 121 8.679 -6.583 -13.068 1.00 3.85 C ATOM 0 H PHE A 121 11.432 -6.800 -7.074 1.00 0.48 H new ATOM 0 HA PHE A 121 9.675 -5.208 -8.789 1.00 0.57 H new ATOM 0 HB2 PHE A 121 10.966 -7.643 -8.988 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.343 -8.169 -8.587 1.00 0.68 H new ATOM 0 HD1 PHE A 121 11.334 -6.131 -10.990 1.00 2.32 H new ATOM 0 HD2 PHE A 121 7.535 -7.962 -10.174 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.626 -5.699 -13.325 1.00 3.44 H new ATOM 0 HE2 PHE A 121 6.825 -7.527 -12.510 1.00 3.43 H new ATOM 0 HZ PHE A 121 8.369 -6.392 -14.085 1.00 3.85 H new ATOM 1072 N PRO A 122 7.389 -5.430 -7.662 1.00 0.64 N ATOM 1073 CA PRO A 122 6.097 -5.469 -6.913 1.00 0.67 C ATOM 1074 C PRO A 122 5.271 -6.722 -7.238 1.00 0.73 C ATOM 1075 O PRO A 122 4.070 -6.659 -7.411 1.00 1.19 O ATOM 1076 CB PRO A 122 5.381 -4.197 -7.385 1.00 0.80 C ATOM 1077 CG PRO A 122 5.873 -3.991 -8.780 1.00 1.05 C ATOM 1078 CD PRO A 122 7.329 -4.469 -8.785 1.00 0.87 C ATOM 0 HA PRO A 122 6.245 -5.511 -5.834 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.298 -4.318 -7.359 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.622 -3.346 -6.749 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.274 -4.556 -9.493 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.805 -2.942 -9.068 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.591 -4.943 -9.731 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.022 -3.641 -8.640 1.00 0.87 H new ATOM 1086 N ASP A 123 5.903 -7.861 -7.309 1.00 0.56 N ATOM 1087 CA ASP A 123 5.148 -9.113 -7.606 1.00 0.64 C ATOM 1088 C ASP A 123 4.574 -9.660 -6.300 1.00 0.58 C ATOM 1089 O ASP A 123 4.015 -10.738 -6.256 1.00 0.65 O ATOM 1090 CB ASP A 123 6.088 -10.151 -8.222 1.00 0.74 C ATOM 1091 CG ASP A 123 7.252 -10.419 -7.266 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.181 -9.965 -6.136 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.194 -11.075 -7.681 1.00 1.38 O ATOM 0 H ASP A 123 6.907 -7.980 -7.175 1.00 0.56 H new ATOM 0 HA ASP A 123 4.343 -8.900 -8.310 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.546 -11.076 -8.420 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.466 -9.792 -9.179 1.00 0.74 H new ATOM 1098 N TRP A 124 4.719 -8.918 -5.231 1.00 0.53 N ATOM 1099 CA TRP A 124 4.197 -9.373 -3.906 1.00 0.52 C ATOM 1100 C TRP A 124 2.909 -8.628 -3.583 1.00 0.51 C ATOM 1101 O TRP A 124 2.098 -9.063 -2.791 1.00 0.55 O ATOM 1102 CB TRP A 124 5.241 -9.068 -2.830 1.00 0.49 C ATOM 1103 CG TRP A 124 5.632 -7.626 -2.924 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.663 -7.144 -3.659 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.016 -6.472 -2.281 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.719 -5.770 -3.503 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.726 -5.309 -2.663 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.923 -6.325 -1.408 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.363 -4.044 -2.199 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.555 -5.053 -0.940 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.273 -3.916 -1.334 1.00 0.55 C ATOM 0 H TRP A 124 5.181 -8.009 -5.220 1.00 0.53 H new ATOM 0 HA TRP A 124 3.997 -10.444 -3.937 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.837 -9.285 -1.841 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.116 -9.705 -2.963 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.332 -7.735 -4.267 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.410 -5.171 -3.954 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.364 -7.195 -1.096 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.920 -3.171 -2.506 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.713 -4.950 -0.272 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.984 -2.941 -0.969 1.00 0.55 H new ATOM 1122 N GLN A 125 2.729 -7.509 -4.199 1.00 0.53 N ATOM 1123 CA GLN A 125 1.501 -6.701 -3.955 1.00 0.60 C ATOM 1124 C GLN A 125 0.324 -7.319 -4.712 1.00 0.66 C ATOM 1125 O GLN A 125 0.102 -7.029 -5.870 1.00 0.84 O ATOM 1126 CB GLN A 125 1.728 -5.269 -4.443 1.00 0.69 C ATOM 1127 CG GLN A 125 0.438 -4.463 -4.276 1.00 1.56 C ATOM 1128 CD GLN A 125 0.737 -2.977 -4.471 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.264 -2.330 -3.588 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.422 -2.404 -5.600 1.00 2.82 N ATOM 0 H GLN A 125 3.383 -7.107 -4.871 1.00 0.53 H new ATOM 0 HA GLN A 125 1.279 -6.690 -2.888 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.536 -4.804 -3.877 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.033 -5.274 -5.489 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.306 -4.793 -5.001 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.016 -4.633 -3.286 1.00 1.56 H new ATOM 0 HE21 GLN A 125 -0.020 -2.947 -6.341 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.618 -1.413 -5.741 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.432 -8.174 -4.070 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.594 -8.817 -4.755 1.00 0.72 C ATOM 1141 C ASN A 126 -2.755 -8.959 -3.757 1.00 0.69 C ATOM 1142 O ASN A 126 -2.922 -9.980 -3.129 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.165 -10.204 -5.278 1.00 0.84 C ATOM 1144 CG ASN A 126 0.329 -10.191 -5.618 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.784 -9.335 -6.492 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 1.090 -10.969 -5.080 1.00 0.88 N flip ATOM 0 H ASN A 126 -0.294 -8.455 -3.099 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.922 -8.204 -5.595 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.370 -10.966 -4.526 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.746 -10.465 -6.162 1.00 0.84 H new ATOM 0 HD21 ASN A 126 0.736 -11.639 -4.397 1.00 0.88 H new ATOM 0 HD22 ASN A 126 2.083 -10.953 -5.311 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.557 -7.940 -3.605 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.698 -8.027 -2.645 1.00 0.61 C ATOM 1155 C TYR A 127 -5.728 -9.032 -3.155 1.00 0.63 C ATOM 1156 O TYR A 127 -5.407 -9.943 -3.888 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.346 -6.648 -2.503 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.282 -5.627 -2.175 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.577 -4.996 -3.206 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.996 -5.317 -0.840 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.588 -4.053 -2.903 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.008 -4.374 -0.537 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.302 -3.742 -1.568 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.326 -2.815 -1.269 1.00 1.48 O ATOM 0 H TYR A 127 -3.473 -7.053 -4.102 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.331 -8.358 -1.674 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.855 -6.376 -3.428 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.102 -6.668 -1.718 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.796 -5.237 -4.236 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.538 -5.806 -0.044 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.045 -3.565 -3.699 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.790 -4.133 0.493 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.255 -2.716 -0.297 1.00 1.48 H new ATOM 1174 N THR A 128 -6.965 -8.877 -2.767 1.00 0.62 N ATOM 1175 CA THR A 128 -8.015 -9.837 -3.226 1.00 0.68 C ATOM 1176 C THR A 128 -9.406 -9.207 -3.060 1.00 0.75 C ATOM 1177 O THR A 128 -9.607 -8.344 -2.230 1.00 0.97 O ATOM 1178 CB THR A 128 -7.950 -11.115 -2.375 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.239 -11.704 -2.286 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.483 -10.762 -0.971 1.00 0.90 C ATOM 0 H THR A 128 -7.295 -8.131 -2.155 1.00 0.62 H new ATOM 0 HA THR A 128 -7.841 -10.076 -4.275 1.00 0.68 H new ATOM 0 HB THR A 128 -7.256 -11.815 -2.841 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.190 -12.519 -1.744 1.00 1.22 H new ATOM 0 HG21 THR A 128 -7.436 -11.667 -0.365 1.00 0.90 H new ATOM 0 HG22 THR A 128 -6.494 -10.306 -1.020 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.184 -10.059 -0.520 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.466 -4.886 1.574 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.507 -5.507 0.615 1.00 0.49 C ATOM 1251 C ARG A 134 -8.362 -6.130 1.420 1.00 0.40 C ATOM 1252 O ARG A 134 -7.559 -5.431 2.018 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.964 -4.436 -0.326 1.00 0.58 C ATOM 1254 CG ARG A 134 -10.088 -3.933 -1.244 1.00 1.06 C ATOM 1255 CD ARG A 134 -10.531 -5.041 -2.231 1.00 1.37 C ATOM 1256 NE ARG A 134 -10.654 -4.478 -3.617 1.00 1.86 N ATOM 1257 CZ ARG A 134 -11.271 -3.347 -3.843 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -11.886 -2.722 -2.876 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -11.299 -2.854 -5.050 1.00 3.36 N ATOM 0 HA ARG A 134 -10.003 -6.274 0.021 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.554 -3.607 0.250 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.148 -4.843 -0.924 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.939 -3.614 -0.643 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.746 -3.060 -1.800 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.807 -5.856 -2.224 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -11.486 -5.460 -1.914 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.247 -4.989 -4.400 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -11.888 -3.115 -1.935 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -12.364 -1.841 -3.062 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.841 -3.350 -5.814 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -11.779 -1.972 -5.230 1.00 3.36 H new ATOM 1273 N TYR A 135 -8.297 -7.439 1.464 1.00 0.41 N ATOM 1274 CA TYR A 135 -7.229 -8.113 2.263 1.00 0.39 C ATOM 1275 C TYR A 135 -5.934 -8.254 1.438 1.00 0.36 C ATOM 1276 O TYR A 135 -5.989 -8.473 0.239 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.706 -9.516 2.656 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.807 -9.416 3.684 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -10.142 -9.328 3.271 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.494 -9.417 5.049 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -11.164 -9.241 4.223 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.517 -9.328 6.001 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.852 -9.240 5.588 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.860 -9.153 6.526 1.00 1.17 O ATOM 0 H TYR A 135 -8.938 -8.068 0.981 1.00 0.41 H new ATOM 0 HA TYR A 135 -7.027 -7.509 3.147 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -8.067 -10.047 1.775 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.873 -10.093 3.057 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -10.383 -9.327 2.218 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.464 -9.486 5.367 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -12.194 -9.175 3.905 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.276 -9.327 7.054 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.472 -9.166 7.426 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.775 -8.168 2.075 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.461 -8.335 1.386 1.00 0.38 C ATOM 1296 C PRO A 136 -3.041 -9.813 1.337 1.00 0.37 C ATOM 1297 O PRO A 136 -2.792 -10.421 2.357 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.514 -7.555 2.292 1.00 0.42 C ATOM 1299 CG PRO A 136 -3.039 -7.824 3.663 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.567 -7.888 3.519 1.00 0.44 C ATOM 0 HA PRO A 136 -3.475 -7.993 0.351 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.484 -7.895 2.183 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.524 -6.490 2.061 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.643 -8.760 4.057 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.744 -7.037 4.357 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.995 -8.671 4.144 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -5.037 -6.950 3.816 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.966 -10.400 0.175 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.569 -11.838 0.107 1.00 0.43 C ATOM 1310 C LEU A 137 -1.147 -12.013 0.639 1.00 0.41 C ATOM 1311 O LEU A 137 -0.796 -13.059 1.147 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.639 -12.337 -1.336 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.078 -12.208 -1.855 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.137 -12.613 -3.333 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.033 -13.088 -1.020 1.00 0.92 C ATOM 0 H LEU A 137 -3.159 -9.954 -0.722 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.258 -12.419 0.720 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.962 -11.759 -1.965 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.314 -13.376 -1.388 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.395 -11.170 -1.759 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.161 -12.519 -3.695 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.485 -11.962 -3.915 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.807 -13.646 -3.441 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.049 -12.985 -1.401 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.723 -14.130 -1.091 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.002 -12.771 0.022 1.00 0.92 H new ATOM 1327 N THR A 138 -0.322 -11.009 0.533 1.00 0.50 N ATOM 1328 CA THR A 138 1.066 -11.156 1.046 1.00 0.55 C ATOM 1329 C THR A 138 1.008 -11.359 2.564 1.00 0.47 C ATOM 1330 O THR A 138 -0.035 -11.239 3.176 1.00 0.50 O ATOM 1331 CB THR A 138 1.894 -9.900 0.700 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.303 -9.240 -0.409 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.335 -10.292 0.348 1.00 1.04 C ATOM 0 H THR A 138 -0.546 -10.104 0.119 1.00 0.50 H new ATOM 0 HA THR A 138 1.546 -12.017 0.581 1.00 0.55 H new ATOM 0 HB THR A 138 1.909 -9.236 1.564 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.725 -9.551 -1.237 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.907 -9.396 0.106 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.793 -10.796 1.199 1.00 1.04 H new ATOM 0 HG23 THR A 138 3.330 -10.962 -0.512 1.00 1.04 H new ATOM 1341 N PHE A 139 2.118 -11.678 3.169 1.00 0.51 N ATOM 1342 CA PHE A 139 2.143 -11.912 4.649 1.00 0.49 C ATOM 1343 C PHE A 139 2.724 -10.704 5.379 1.00 0.65 C ATOM 1344 O PHE A 139 2.017 -9.857 5.888 1.00 1.43 O ATOM 1345 CB PHE A 139 2.997 -13.152 4.936 1.00 0.52 C ATOM 1346 CG PHE A 139 3.103 -13.381 6.432 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.950 -13.626 7.191 1.00 0.67 C ATOM 1348 CD2 PHE A 139 4.356 -13.355 7.058 1.00 0.59 C ATOM 1349 CE1 PHE A 139 2.052 -13.843 8.570 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.457 -13.571 8.437 1.00 0.62 C ATOM 1351 CZ PHE A 139 3.305 -13.814 9.194 1.00 0.66 C ATOM 0 H PHE A 139 3.018 -11.789 2.702 1.00 0.51 H new ATOM 0 HA PHE A 139 1.124 -12.065 5.005 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.555 -14.026 4.458 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.992 -13.024 4.509 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.983 -13.647 6.711 1.00 0.67 H new ATOM 0 HD2 PHE A 139 5.246 -13.168 6.475 1.00 0.59 H new ATOM 0 HE1 PHE A 139 1.163 -14.033 9.153 1.00 0.77 H new ATOM 0 HE2 PHE A 139 5.424 -13.550 8.917 1.00 0.62 H new ATOM 0 HZ PHE A 139 3.383 -13.979 10.258 1.00 0.66 H new ATOM 1361 N GLY A 140 4.010 -10.659 5.455 1.00 0.46 N ATOM 1362 CA GLY A 140 4.709 -9.554 6.175 1.00 0.43 C ATOM 1363 C GLY A 140 4.118 -8.181 5.825 1.00 0.35 C ATOM 1364 O GLY A 140 4.282 -7.230 6.563 1.00 0.32 O ATOM 0 H GLY A 140 4.631 -11.354 5.041 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.636 -9.718 7.250 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.769 -9.569 5.922 1.00 0.43 H new ATOM 1368 N TRP A 141 3.447 -8.053 4.716 1.00 0.34 N ATOM 1369 CA TRP A 141 2.875 -6.718 4.357 1.00 0.29 C ATOM 1370 C TRP A 141 1.672 -6.429 5.244 1.00 0.32 C ATOM 1371 O TRP A 141 0.562 -6.835 4.965 1.00 0.40 O ATOM 1372 CB TRP A 141 2.463 -6.711 2.883 1.00 0.33 C ATOM 1373 CG TRP A 141 2.209 -5.312 2.389 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.077 -4.931 1.747 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.059 -4.116 2.453 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.174 -3.594 1.410 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.371 -3.047 1.822 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.341 -3.844 2.986 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.925 -1.770 1.720 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.897 -2.556 2.883 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.191 -1.524 2.251 1.00 0.33 C ATOM 0 H TRP A 141 3.269 -8.802 4.047 1.00 0.34 H new ATOM 0 HA TRP A 141 3.626 -5.944 4.513 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.246 -7.174 2.283 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.564 -7.313 2.752 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.234 -5.571 1.533 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.448 -3.075 0.916 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.896 -4.630 3.475 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.377 -0.977 1.233 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.876 -2.361 3.295 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.627 -0.539 2.175 1.00 0.33 H new ATOM 1392 N CYS A 142 1.897 -5.737 6.327 1.00 0.31 N ATOM 1393 CA CYS A 142 0.786 -5.423 7.263 1.00 0.40 C ATOM 1394 C CYS A 142 0.014 -4.188 6.785 1.00 0.39 C ATOM 1395 O CYS A 142 -0.324 -3.317 7.563 1.00 0.48 O ATOM 1396 CB CYS A 142 1.375 -5.185 8.652 1.00 0.47 C ATOM 1397 SG CYS A 142 2.985 -4.376 8.496 1.00 1.45 S ATOM 0 H CYS A 142 2.809 -5.374 6.603 1.00 0.31 H new ATOM 0 HA CYS A 142 0.086 -6.258 7.299 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.701 -4.565 9.243 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.482 -6.132 9.180 1.00 0.47 H new ATOM 0 HG CYS A 142 2.825 -3.086 8.500 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.279 -4.118 5.516 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.048 -2.954 4.968 1.00 0.40 C ATOM 1405 C TYR A 143 -2.304 -3.498 4.276 1.00 0.43 C ATOM 1406 O TYR A 143 -2.223 -4.255 3.328 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.159 -2.202 3.951 1.00 0.55 C ATOM 1408 CG TYR A 143 0.379 -0.915 4.552 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.503 0.116 4.896 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.758 -0.752 4.755 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -0.011 1.307 5.443 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.249 0.439 5.303 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.365 1.468 5.646 1.00 3.52 C ATOM 1414 OH TYR A 143 1.848 2.643 6.186 1.00 4.57 O ATOM 0 H TYR A 143 -0.018 -4.822 4.825 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.336 -2.265 5.762 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.670 -2.840 3.645 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.736 -1.976 3.054 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.564 -0.007 4.739 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.441 -1.545 4.488 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.693 2.102 5.708 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.310 0.564 5.461 1.00 3.14 H new ATOM 0 HH TYR A 143 2.824 2.591 6.262 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.461 -3.116 4.751 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.741 -3.599 4.141 1.00 0.51 C ATOM 1426 C LYS A 144 -5.628 -2.390 3.843 1.00 0.43 C ATOM 1427 O LYS A 144 -5.758 -1.493 4.653 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.445 -4.539 5.126 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.951 -3.743 6.336 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.367 -4.704 7.467 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.155 -5.058 8.335 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.597 -5.901 9.482 1.00 2.32 N ATOM 0 H LYS A 144 -3.577 -2.484 5.543 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.541 -4.140 3.216 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.279 -5.038 4.633 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.757 -5.318 5.454 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.171 -3.069 6.690 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.799 -3.123 6.044 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -7.140 -4.242 8.081 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.797 -5.611 7.043 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -4.413 -5.592 7.742 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -4.677 -4.149 8.700 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.178 -5.538 10.362 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.634 -5.872 9.555 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -5.288 -6.882 9.331 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.232 -2.347 2.686 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.096 -1.178 2.347 1.00 0.37 C ATOM 1448 C LEU A 145 -8.468 -1.345 3.013 1.00 0.38 C ATOM 1449 O LEU A 145 -8.943 -2.447 3.214 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.228 -1.072 0.808 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.258 -0.008 0.255 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.991 -0.275 -1.230 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.871 1.388 0.413 1.00 0.52 C ATOM 0 H LEU A 145 -6.166 -3.065 1.965 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.648 -0.257 2.719 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.016 -2.039 0.351 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.253 -0.812 0.542 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.322 -0.059 0.811 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -5.305 0.478 -1.618 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.548 -1.264 -1.348 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.930 -0.230 -1.782 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -6.181 2.135 0.021 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.811 1.437 -0.137 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -7.058 1.586 1.468 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.102 -0.251 3.357 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.438 -0.318 4.027 1.00 0.50 C ATOM 1467 C VAL A 146 -11.188 0.996 3.733 1.00 0.59 C ATOM 1468 O VAL A 146 -10.606 2.059 3.802 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.230 -0.426 5.552 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.577 -0.524 6.279 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.401 -1.668 5.885 1.00 0.56 C ATOM 0 H VAL A 146 -8.748 0.693 3.201 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.001 -1.178 3.663 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.706 0.471 5.882 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.406 -0.599 7.353 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.170 0.366 6.067 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.113 -1.408 5.934 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.261 -1.733 6.964 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.922 -2.558 5.532 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.429 -1.598 5.397 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.466 0.945 3.414 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.256 2.178 3.123 1.00 0.81 C ATOM 1483 C PRO A 147 -13.538 2.989 4.394 1.00 0.91 C ATOM 1484 O PRO A 147 -13.136 2.625 5.480 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.561 1.639 2.517 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.717 0.277 3.108 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.300 -0.269 3.289 1.00 0.75 C ATOM 0 HA PRO A 147 -12.725 2.861 2.460 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.408 2.279 2.766 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.504 1.595 1.429 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.242 0.324 4.062 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.303 -0.368 2.453 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.224 -0.899 4.175 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.995 -0.878 2.438 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.806 5.151 -0.758 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.432 4.041 0.184 1.00 0.52 C ATOM 1782 C LEU A 181 -9.178 4.457 0.952 1.00 0.47 C ATOM 1783 O LEU A 181 -8.382 5.206 0.450 1.00 0.51 O ATOM 1784 CB LEU A 181 -10.127 2.772 -0.619 1.00 0.60 C ATOM 1785 CG LEU A 181 -11.329 2.402 -1.502 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.875 1.453 -2.612 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.408 1.710 -0.662 1.00 0.87 C ATOM 0 HA LEU A 181 -11.253 3.847 0.874 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.245 2.929 -1.240 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.898 1.950 0.059 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.740 3.313 -1.937 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.728 1.191 -3.238 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -10.115 1.942 -3.221 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.458 0.548 -2.169 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.255 1.452 -1.298 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.998 0.803 -0.219 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.740 2.382 0.129 1.00 0.87 H new ATOM 1799 N GLU A 182 -9.005 3.998 2.172 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.793 4.389 2.973 1.00 0.45 C ATOM 1801 C GLU A 182 -6.978 3.167 3.392 1.00 0.42 C ATOM 1802 O GLU A 182 -7.506 2.113 3.686 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.239 5.140 4.230 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.339 4.345 4.935 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.576 4.926 6.330 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.712 4.758 7.175 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -10.618 5.529 6.530 1.00 1.62 O ATOM 0 H GLU A 182 -9.651 3.369 2.649 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.166 5.023 2.346 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.392 5.283 4.901 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.606 6.131 3.964 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -10.260 4.383 4.353 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -9.053 3.296 5.010 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.680 3.333 3.451 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.793 2.223 3.886 1.00 0.38 C ATOM 1816 C TRP A 183 -4.972 2.056 5.396 1.00 0.37 C ATOM 1817 O TRP A 183 -5.247 3.010 6.098 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.318 2.593 3.603 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.910 2.208 2.212 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.584 0.957 1.812 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.742 3.067 1.047 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.229 0.991 0.474 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.315 2.272 -0.045 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.922 4.447 0.834 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.072 2.831 -1.306 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.680 5.010 -0.429 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.256 4.205 -1.495 1.00 0.41 C ATOM 0 H TRP A 183 -5.198 4.200 3.213 1.00 0.40 H new ATOM 0 HA TRP A 183 -5.043 1.307 3.352 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -3.178 3.665 3.740 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.672 2.093 4.324 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.598 0.075 2.435 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.940 0.173 -0.063 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.249 5.077 1.648 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.746 2.207 -2.125 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.821 6.070 -0.580 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.071 4.646 -2.463 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.805 0.865 5.905 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.947 0.642 7.382 1.00 0.35 C ATOM 1840 C ARG A 184 -3.723 -0.137 7.872 1.00 0.31 C ATOM 1841 O ARG A 184 -3.633 -1.341 7.737 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.239 -0.159 7.663 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.403 0.795 7.999 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.351 1.205 9.478 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.609 1.918 9.839 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.920 2.099 11.094 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -8.131 1.653 12.034 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.021 2.725 11.412 1.00 2.61 N ATOM 0 H ARG A 184 -4.576 0.031 5.364 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.010 1.596 7.906 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.496 -0.763 6.793 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.074 -0.847 8.492 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.348 1.682 7.367 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.354 0.308 7.783 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.226 0.323 10.107 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -6.490 1.849 9.658 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.227 2.265 9.105 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.271 1.163 11.788 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -8.375 1.795 13.014 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.639 3.073 10.679 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -10.263 2.866 12.393 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.776 0.562 8.434 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.538 -0.101 8.934 1.00 0.31 C ATOM 1864 C PHE A 185 -1.859 -0.966 10.159 1.00 0.31 C ATOM 1865 O PHE A 185 -2.535 -0.539 11.074 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.525 0.980 9.318 1.00 0.40 C ATOM 1867 CG PHE A 185 0.728 0.349 9.878 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.775 -0.048 11.219 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.850 0.177 9.057 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.941 -0.623 11.739 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.016 -0.395 9.578 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.063 -0.795 10.917 1.00 0.71 C ATOM 0 H PHE A 185 -2.807 1.572 8.569 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.126 -0.742 8.155 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.277 1.583 8.444 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.963 1.653 10.056 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.088 0.089 11.853 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.815 0.486 8.023 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.976 -0.934 12.773 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.881 -0.528 8.945 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.964 -1.236 11.318 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.378 -2.181 10.179 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.644 -3.086 11.329 1.00 0.32 C ATOM 1884 C ASP A 186 -0.515 -4.119 11.422 1.00 0.30 C ATOM 1885 O ASP A 186 -0.663 -5.254 11.016 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.974 -3.793 11.082 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.519 -4.372 12.393 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.967 -4.058 13.436 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.479 -5.121 12.331 1.00 1.23 O ATOM 0 H ASP A 186 -0.806 -2.587 9.438 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.691 -2.523 12.261 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.693 -3.092 10.659 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.840 -4.591 10.352 1.00 0.37 H new ATOM 1894 N SER A 187 0.621 -3.723 11.932 1.00 0.33 N ATOM 1895 CA SER A 187 1.779 -4.662 12.036 1.00 0.34 C ATOM 1896 C SER A 187 1.350 -5.987 12.683 1.00 0.35 C ATOM 1897 O SER A 187 2.131 -6.913 12.776 1.00 0.37 O ATOM 1898 CB SER A 187 2.867 -4.019 12.896 1.00 0.40 C ATOM 1899 OG SER A 187 3.816 -5.009 13.271 1.00 1.32 O ATOM 0 H SER A 187 0.799 -2.782 12.284 1.00 0.33 H new ATOM 0 HA SER A 187 2.155 -4.866 11.033 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.359 -3.219 12.343 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.425 -3.567 13.784 1.00 0.40 H new ATOM 0 HG SER A 187 3.531 -5.882 12.928 1.00 1.32 H new ATOM 1905 N ARG A 188 0.128 -6.095 13.134 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.310 -7.372 13.772 1.00 0.46 C ATOM 1907 C ARG A 188 -0.192 -8.502 12.743 1.00 0.42 C ATOM 1908 O ARG A 188 0.104 -9.631 13.077 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.773 -7.240 14.243 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.821 -6.710 15.682 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.279 -6.631 16.139 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.377 -5.800 17.386 1.00 2.37 N ATOM 1913 CZ ARG A 188 -2.703 -6.100 18.465 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -2.064 -7.236 18.552 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -2.713 -5.285 19.483 1.00 3.87 N ATOM 0 H ARG A 188 -0.580 -5.362 13.089 1.00 0.40 H new ATOM 0 HA ARG A 188 0.319 -7.593 14.635 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.316 -6.566 13.581 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.269 -8.209 14.188 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.255 -7.366 16.343 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.356 -5.725 15.736 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.893 -6.195 15.351 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.665 -7.633 16.327 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.985 -4.981 17.391 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -2.089 -7.896 17.775 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -1.540 -7.463 19.397 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.246 -4.416 19.436 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -2.188 -5.516 20.327 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.410 -8.202 11.493 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.296 -9.251 10.443 1.00 0.46 C ATOM 1931 C LEU A 189 1.144 -9.773 10.423 1.00 0.41 C ATOM 1932 O LEU A 189 1.494 -10.632 9.637 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.662 -8.644 9.073 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.163 -8.840 8.775 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.611 -7.832 7.710 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.425 -10.261 8.254 1.00 1.78 C ATOM 0 H LEU A 189 -0.663 -7.274 11.153 1.00 0.43 H new ATOM 0 HA LEU A 189 -0.977 -10.075 10.656 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.420 -7.581 9.064 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.066 -9.114 8.290 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.723 -8.686 9.697 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.672 -7.971 7.500 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.443 -6.819 8.075 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.037 -7.988 6.797 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.489 -10.383 8.049 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -1.858 -10.423 7.338 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -2.115 -10.987 9.006 1.00 1.78 H new ATOM 1948 N ALA A 190 1.982 -9.265 11.287 1.00 0.37 N ATOM 1949 CA ALA A 190 3.391 -9.741 11.320 1.00 0.42 C ATOM 1950 C ALA A 190 3.408 -11.139 11.933 1.00 0.44 C ATOM 1951 O ALA A 190 4.428 -11.796 11.991 1.00 0.53 O ATOM 1952 CB ALA A 190 4.232 -8.795 12.180 1.00 0.47 C ATOM 0 H ALA A 190 1.750 -8.543 11.969 1.00 0.37 H new ATOM 0 HA ALA A 190 3.805 -9.765 10.312 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.264 -9.145 12.203 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.199 -7.791 11.756 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.833 -8.774 13.194 1.00 0.47 H new ATOM 1958 N PHE A 191 2.267 -11.596 12.384 1.00 0.42 N ATOM 1959 CA PHE A 191 2.174 -12.958 12.996 1.00 0.51 C ATOM 1960 C PHE A 191 0.926 -13.661 12.462 1.00 0.56 C ATOM 1961 O PHE A 191 0.973 -14.794 12.026 1.00 0.96 O ATOM 1962 CB PHE A 191 2.061 -12.833 14.517 1.00 0.58 C ATOM 1963 CG PHE A 191 3.175 -11.959 15.041 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.437 -12.510 15.292 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.945 -10.599 15.280 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.469 -11.701 15.782 1.00 2.75 C ATOM 1967 CE2 PHE A 191 3.976 -9.790 15.769 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.238 -10.341 16.020 1.00 3.15 C ATOM 0 H PHE A 191 1.388 -11.080 12.354 1.00 0.42 H new ATOM 0 HA PHE A 191 3.066 -13.531 12.742 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.095 -12.406 14.785 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.113 -13.820 14.977 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.615 -13.559 15.108 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.971 -10.174 15.087 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.443 -12.126 15.976 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.798 -8.741 15.953 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.034 -9.716 16.398 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.196 -12.995 12.503 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.455 -13.617 12.007 1.00 0.72 C ATOM 1980 C HIS A 192 -1.442 -13.660 10.475 1.00 0.67 C ATOM 1981 O HIS A 192 -0.854 -12.819 9.826 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.651 -12.786 12.496 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.905 -13.617 12.456 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.899 -13.410 11.515 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.340 -14.658 13.239 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.876 -14.306 11.753 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.585 -15.091 12.793 1.00 3.35 N ATOM 0 H HIS A 192 -0.294 -12.044 12.860 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.537 -14.635 12.388 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.470 -12.435 13.512 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.771 -11.902 11.870 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.798 -15.077 14.074 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.784 -14.380 11.173 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.153 -15.846 13.178 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.094 -14.640 9.898 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.138 -14.760 8.405 1.00 0.85 C ATOM 1997 C HIS A 193 -3.580 -15.024 7.971 1.00 0.74 C ATOM 1998 O HIS A 193 -3.973 -16.150 7.739 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.255 -15.929 7.966 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.617 -17.154 8.760 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.599 -17.413 10.109 1.00 2.84 N flip ATOM 2002 CD2 HIS A 193 -2.069 -18.317 8.157 1.00 2.99 C flip ATOM 2003 CE1 HIS A 193 -2.032 -18.715 10.341 1.00 3.75 C flip ATOM 2004 NE2 HIS A 193 -2.303 -19.214 9.132 1.00 3.87 N flip ATOM 0 H HIS A 193 -2.602 -15.368 10.401 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.776 -13.839 7.948 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.388 -16.120 6.901 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.204 -15.682 8.117 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.208 -18.475 7.098 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.128 -19.215 11.294 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -2.646 -20.161 8.968 1.00 3.87 H new ATOM 2012 N MET A 194 -4.375 -13.994 7.873 1.00 0.73 N ATOM 2013 CA MET A 194 -5.798 -14.181 7.469 1.00 0.79 C ATOM 2014 C MET A 194 -5.905 -14.332 5.948 1.00 0.75 C ATOM 2015 O MET A 194 -6.395 -15.323 5.448 1.00 0.90 O ATOM 2016 CB MET A 194 -6.612 -12.963 7.918 1.00 0.91 C ATOM 2017 CG MET A 194 -8.104 -13.301 7.886 1.00 1.47 C ATOM 2018 SD MET A 194 -9.052 -11.898 8.527 1.00 2.35 S ATOM 2019 CE MET A 194 -10.696 -12.507 8.079 1.00 2.94 C ATOM 0 H MET A 194 -4.100 -13.029 8.056 1.00 0.73 H new ATOM 0 HA MET A 194 -6.186 -15.084 7.940 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.318 -12.668 8.925 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.407 -12.115 7.264 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.415 -13.529 6.866 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.300 -14.190 8.485 1.00 1.47 H new ATOM 0 HE1 MET A 194 -11.449 -11.782 8.388 1.00 2.94 H new ATOM 0 HE2 MET A 194 -10.750 -12.648 7.000 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.880 -13.458 8.579 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.467 -13.348 5.212 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.565 -13.423 3.725 1.00 0.76 C ATOM 2031 C ALA A 195 -5.048 -14.776 3.221 1.00 0.90 C ATOM 2032 O ALA A 195 -5.396 -15.217 2.143 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.741 -12.290 3.105 1.00 0.82 C ATOM 0 H ALA A 195 -5.045 -12.494 5.576 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.610 -13.320 3.433 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.811 -12.342 2.018 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.127 -11.330 3.448 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.699 -12.391 3.407 1.00 0.82 H new