USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 986 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 Single : A 45 LYS NZ :NH3+ -133:sc= 0.372 (180deg=0) USER MOD Single : A 48 MET CE :methyl -163:sc= -4.24! (180deg=-5.55!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -50:sc= 0.00706 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -1.28 (180deg=-2.83) USER MOD Single : A 75 SER OG : rot 180:sc= -1.77 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1 K(o=1,f=-0.32) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -115:sc= -0.568 (180deg=-3.77!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.34 F(o=-2.4!,f=-1.3) USER MOD Single : B 45 LYS NZ :NH3+ -134:sc= 0.357 (180deg=0) USER MOD Single : B 48 MET CE :methyl -161:sc= -4.35! (180deg=-5.55!) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 THR OG1 : rot -53:sc= 0.00452 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ 143:sc= -1.28 (180deg=-3.07) USER MOD Single : B 75 SER OG : rot 180:sc= -1.75 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 1.11 K(o=1.1,f=-0.29) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -115:sc= -0.551 (180deg=-3.66!) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.35 F(o=-2.4,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.306 -17.849 -7.674 1.00 2.74 N ATOM 358 CA PRO A 43 -1.794 -17.203 -6.451 1.00 2.58 C ATOM 359 C PRO A 43 -2.593 -15.932 -6.138 1.00 2.40 C ATOM 360 O PRO A 43 -2.995 -15.706 -5.013 1.00 2.33 O ATOM 361 CB PRO A 43 -0.354 -16.862 -6.817 1.00 2.55 C ATOM 362 CG PRO A 43 -0.328 -16.746 -8.314 1.00 2.63 C ATOM 363 CD PRO A 43 -1.573 -17.407 -8.863 1.00 2.76 C ATOM 0 HA PRO A 43 -1.872 -17.833 -5.565 1.00 2.58 H new ATOM 0 HB2 PRO A 43 -0.042 -15.929 -6.347 1.00 2.55 H new ATOM 0 HB3 PRO A 43 0.331 -17.637 -6.473 1.00 2.55 H new ATOM 0 HG2 PRO A 43 -0.291 -15.699 -8.613 1.00 2.63 H new ATOM 0 HG3 PRO A 43 0.565 -17.224 -8.717 1.00 2.63 H new ATOM 0 HD2 PRO A 43 -2.164 -16.710 -9.457 1.00 2.76 H new ATOM 0 HD3 PRO A 43 -1.324 -18.247 -9.511 1.00 2.76 H new ATOM 371 N LEU A 44 -2.816 -15.102 -7.129 1.00 2.35 N ATOM 372 CA LEU A 44 -3.580 -13.831 -6.918 1.00 2.21 C ATOM 373 C LEU A 44 -2.936 -12.984 -5.815 1.00 2.02 C ATOM 374 O LEU A 44 -3.551 -12.083 -5.278 1.00 1.95 O ATOM 375 CB LEU A 44 -4.993 -14.256 -6.509 1.00 2.30 C ATOM 376 CG LEU A 44 -5.909 -13.025 -6.500 1.00 2.25 C ATOM 377 CD1 LEU A 44 -7.150 -13.298 -7.350 1.00 2.47 C ATOM 378 CD2 LEU A 44 -6.338 -12.709 -5.063 1.00 2.17 C ATOM 0 H LEU A 44 -2.497 -15.253 -8.086 1.00 2.35 H new ATOM 0 HA LEU A 44 -3.588 -13.219 -7.820 1.00 2.21 H new ATOM 0 HB2 LEU A 44 -5.376 -15.004 -7.204 1.00 2.30 H new ATOM 0 HB3 LEU A 44 -4.975 -14.718 -5.522 1.00 2.30 H new ATOM 0 HG LEU A 44 -5.366 -12.175 -6.912 1.00 2.25 H new ATOM 0 HD11 LEU A 44 -7.797 -12.421 -7.341 1.00 2.47 H new ATOM 0 HD12 LEU A 44 -6.849 -13.516 -8.375 1.00 2.47 H new ATOM 0 HD13 LEU A 44 -7.690 -14.152 -6.942 1.00 2.47 H new ATOM 0 HD21 LEU A 44 -6.988 -11.834 -5.061 1.00 2.17 H new ATOM 0 HD22 LEU A 44 -6.876 -13.562 -4.648 1.00 2.17 H new ATOM 0 HD23 LEU A 44 -5.456 -12.506 -4.456 1.00 2.17 H new ATOM 390 N LYS A 45 -1.701 -13.255 -5.482 1.00 1.99 N ATOM 391 CA LYS A 45 -1.022 -12.456 -4.421 1.00 1.83 C ATOM 392 C LYS A 45 -0.345 -11.236 -5.049 1.00 1.71 C ATOM 393 O LYS A 45 -0.234 -10.202 -4.435 1.00 1.56 O ATOM 394 CB LYS A 45 0.009 -13.403 -3.798 1.00 1.93 C ATOM 395 CG LYS A 45 1.083 -13.760 -4.830 1.00 2.06 C ATOM 396 CD LYS A 45 2.151 -14.643 -4.180 1.00 2.19 C ATOM 397 CE LYS A 45 1.507 -15.926 -3.646 1.00 2.34 C ATOM 398 NZ LYS A 45 2.639 -16.726 -3.102 1.00 2.48 N ATOM 0 H LYS A 45 -1.135 -13.994 -5.899 1.00 1.99 H new ATOM 0 HA LYS A 45 -1.716 -12.081 -3.669 1.00 1.83 H new ATOM 0 HB2 LYS A 45 0.470 -12.932 -2.930 1.00 1.93 H new ATOM 0 HB3 LYS A 45 -0.484 -14.309 -3.445 1.00 1.93 H new ATOM 0 HG2 LYS A 45 0.631 -14.281 -5.674 1.00 2.06 H new ATOM 0 HG3 LYS A 45 1.539 -12.852 -5.224 1.00 2.06 H new ATOM 0 HD2 LYS A 45 2.925 -14.889 -4.907 1.00 2.19 H new ATOM 0 HD3 LYS A 45 2.637 -14.103 -3.367 1.00 2.19 H new ATOM 0 HE2 LYS A 45 0.771 -15.706 -2.873 1.00 2.34 H new ATOM 0 HE3 LYS A 45 0.986 -16.466 -4.437 1.00 2.34 H new ATOM 0 HZ1 LYS A 45 2.565 -17.707 -3.439 1.00 2.48 H new ATOM 0 HZ2 LYS A 45 3.539 -16.317 -3.424 1.00 2.48 H new ATOM 0 HZ3 LYS A 45 2.605 -16.714 -2.063 1.00 2.48 H new ATOM 412 N LEU A 46 0.102 -11.368 -6.275 1.00 1.79 N ATOM 413 CA LEU A 46 0.779 -10.237 -6.995 1.00 1.73 C ATOM 414 C LEU A 46 0.160 -8.873 -6.632 1.00 1.54 C ATOM 415 O LEU A 46 0.863 -7.899 -6.423 1.00 1.43 O ATOM 416 CB LEU A 46 0.539 -10.539 -8.483 1.00 1.89 C ATOM 417 CG LEU A 46 1.872 -10.656 -9.231 1.00 2.03 C ATOM 418 CD1 LEU A 46 2.676 -9.361 -9.077 1.00 2.41 C ATOM 419 CD2 LEU A 46 2.672 -11.832 -8.668 1.00 2.22 C ATOM 0 H LEU A 46 0.026 -12.227 -6.819 1.00 1.79 H new ATOM 0 HA LEU A 46 1.834 -10.170 -6.730 1.00 1.73 H new ATOM 0 HB2 LEU A 46 -0.024 -11.467 -8.585 1.00 1.89 H new ATOM 0 HB3 LEU A 46 -0.066 -9.748 -8.927 1.00 1.89 H new ATOM 0 HG LEU A 46 1.675 -10.825 -10.290 1.00 2.03 H new ATOM 0 HD11 LEU A 46 3.621 -9.454 -9.612 1.00 2.41 H new ATOM 0 HD12 LEU A 46 2.106 -8.528 -9.489 1.00 2.41 H new ATOM 0 HD13 LEU A 46 2.873 -9.179 -8.021 1.00 2.41 H new ATOM 0 HD21 LEU A 46 3.620 -11.915 -9.200 1.00 2.22 H new ATOM 0 HD22 LEU A 46 2.864 -11.667 -7.608 1.00 2.22 H new ATOM 0 HD23 LEU A 46 2.103 -12.753 -8.795 1.00 2.22 H new ATOM 431 N PHE A 47 -1.147 -8.804 -6.547 1.00 1.54 N ATOM 432 CA PHE A 47 -1.819 -7.515 -6.202 1.00 1.39 C ATOM 433 C PHE A 47 -1.699 -7.270 -4.702 1.00 1.23 C ATOM 434 O PHE A 47 -1.374 -6.183 -4.260 1.00 1.08 O ATOM 435 CB PHE A 47 -3.283 -7.719 -6.622 1.00 1.50 C ATOM 436 CG PHE A 47 -4.191 -6.785 -5.852 1.00 1.39 C ATOM 437 CD1 PHE A 47 -3.935 -5.409 -5.833 1.00 1.28 C ATOM 438 CD2 PHE A 47 -5.290 -7.301 -5.155 1.00 1.45 C ATOM 439 CE1 PHE A 47 -4.779 -4.550 -5.118 1.00 1.23 C ATOM 440 CE2 PHE A 47 -6.133 -6.443 -4.440 1.00 1.40 C ATOM 441 CZ PHE A 47 -5.878 -5.067 -4.421 1.00 1.30 C ATOM 0 H PHE A 47 -1.778 -9.590 -6.703 1.00 1.54 H new ATOM 0 HA PHE A 47 -1.380 -6.650 -6.699 1.00 1.39 H new ATOM 0 HB2 PHE A 47 -3.389 -7.539 -7.692 1.00 1.50 H new ATOM 0 HB3 PHE A 47 -3.578 -8.753 -6.442 1.00 1.50 H new ATOM 0 HD1 PHE A 47 -3.087 -5.010 -6.370 1.00 1.28 H new ATOM 0 HD2 PHE A 47 -5.487 -8.363 -5.169 1.00 1.45 H new ATOM 0 HE1 PHE A 47 -4.582 -3.488 -5.104 1.00 1.23 H new ATOM 0 HE2 PHE A 47 -6.980 -6.843 -3.903 1.00 1.40 H new ATOM 0 HZ PHE A 47 -6.528 -4.404 -3.869 1.00 1.30 H new ATOM 451 N MET A 48 -1.956 -8.281 -3.925 1.00 1.30 N ATOM 452 CA MET A 48 -1.859 -8.142 -2.448 1.00 1.21 C ATOM 453 C MET A 48 -0.422 -7.810 -2.045 1.00 1.13 C ATOM 454 O MET A 48 -0.178 -6.874 -1.316 1.00 0.99 O ATOM 455 CB MET A 48 -2.265 -9.511 -1.904 1.00 1.39 C ATOM 456 CG MET A 48 -3.205 -9.325 -0.716 1.00 1.38 C ATOM 457 SD MET A 48 -4.876 -9.857 -1.165 1.00 1.56 S ATOM 458 CE MET A 48 -5.085 -8.748 -2.578 1.00 1.45 C ATOM 0 H MET A 48 -2.232 -9.207 -4.253 1.00 1.30 H new ATOM 0 HA MET A 48 -2.490 -7.342 -2.061 1.00 1.21 H new ATOM 0 HB2 MET A 48 -2.757 -10.093 -2.683 1.00 1.39 H new ATOM 0 HB3 MET A 48 -1.381 -10.070 -1.598 1.00 1.39 H new ATOM 0 HG2 MET A 48 -2.847 -9.902 0.136 1.00 1.38 H new ATOM 0 HG3 MET A 48 -3.217 -8.279 -0.410 1.00 1.38 H new ATOM 0 HE1 MET A 48 -6.142 -8.679 -2.833 1.00 1.45 H new ATOM 0 HE2 MET A 48 -4.708 -7.758 -2.322 1.00 1.45 H new ATOM 0 HE3 MET A 48 -4.530 -9.138 -3.432 1.00 1.45 H new ATOM 468 N ALA A 49 0.525 -8.579 -2.517 1.00 1.24 N ATOM 469 CA ALA A 49 1.956 -8.330 -2.171 1.00 1.23 C ATOM 470 C ALA A 49 2.370 -6.910 -2.569 1.00 1.09 C ATOM 471 O ALA A 49 2.969 -6.195 -1.787 1.00 1.02 O ATOM 472 CB ALA A 49 2.746 -9.363 -2.977 1.00 1.42 C ATOM 0 H ALA A 49 0.366 -9.376 -3.133 1.00 1.24 H new ATOM 0 HA ALA A 49 2.137 -8.420 -1.100 1.00 1.23 H new ATOM 0 HB1 ALA A 49 3.811 -9.244 -2.776 1.00 1.42 H new ATOM 0 HB2 ALA A 49 2.432 -10.366 -2.689 1.00 1.42 H new ATOM 0 HB3 ALA A 49 2.559 -9.215 -4.041 1.00 1.42 H new ATOM 478 N LEU A 50 2.065 -6.497 -3.778 1.00 1.09 N ATOM 479 CA LEU A 50 2.457 -5.120 -4.214 1.00 1.00 C ATOM 480 C LEU A 50 1.858 -4.067 -3.275 1.00 0.80 C ATOM 481 O LEU A 50 2.576 -3.300 -2.655 1.00 0.73 O ATOM 482 CB LEU A 50 1.896 -4.963 -5.627 1.00 1.09 C ATOM 483 CG LEU A 50 2.701 -3.899 -6.375 1.00 1.14 C ATOM 484 CD1 LEU A 50 4.144 -4.378 -6.549 1.00 1.30 C ATOM 485 CD2 LEU A 50 2.075 -3.659 -7.749 1.00 1.25 C ATOM 0 H LEU A 50 1.566 -7.050 -4.475 1.00 1.09 H new ATOM 0 HA LEU A 50 3.538 -4.982 -4.192 1.00 1.00 H new ATOM 0 HB2 LEU A 50 1.946 -5.913 -6.158 1.00 1.09 H new ATOM 0 HB3 LEU A 50 0.845 -4.677 -5.584 1.00 1.09 H new ATOM 0 HG LEU A 50 2.693 -2.970 -5.804 1.00 1.14 H new ATOM 0 HD11 LEU A 50 4.717 -3.620 -7.082 1.00 1.30 H new ATOM 0 HD12 LEU A 50 4.591 -4.549 -5.570 1.00 1.30 H new ATOM 0 HD13 LEU A 50 4.153 -5.307 -7.119 1.00 1.30 H new ATOM 0 HD21 LEU A 50 2.648 -2.901 -8.283 1.00 1.25 H new ATOM 0 HD22 LEU A 50 2.082 -4.588 -8.319 1.00 1.25 H new ATOM 0 HD23 LEU A 50 1.047 -3.317 -7.626 1.00 1.25 H new ATOM 497 N VAL A 51 0.553 -4.023 -3.163 1.00 0.74 N ATOM 498 CA VAL A 51 -0.086 -3.022 -2.266 1.00 0.57 C ATOM 499 C VAL A 51 0.370 -3.254 -0.823 1.00 0.52 C ATOM 500 O VAL A 51 0.513 -2.322 -0.056 1.00 0.42 O ATOM 501 CB VAL A 51 -1.591 -3.253 -2.418 1.00 0.64 C ATOM 502 CG1 VAL A 51 -2.344 -2.276 -1.525 1.00 0.57 C ATOM 503 CG2 VAL A 51 -1.998 -3.020 -3.875 1.00 0.78 C ATOM 0 H VAL A 51 -0.094 -4.639 -3.656 1.00 0.74 H new ATOM 0 HA VAL A 51 0.184 -1.997 -2.519 1.00 0.57 H new ATOM 0 HB VAL A 51 -1.833 -4.276 -2.130 1.00 0.64 H new ATOM 0 HG11 VAL A 51 -3.417 -2.438 -1.631 1.00 0.57 H new ATOM 0 HG12 VAL A 51 -2.054 -2.435 -0.486 1.00 0.57 H new ATOM 0 HG13 VAL A 51 -2.101 -1.254 -1.817 1.00 0.57 H new ATOM 0 HG21 VAL A 51 -3.070 -3.184 -3.984 1.00 0.78 H new ATOM 0 HG22 VAL A 51 -1.757 -1.996 -4.161 1.00 0.78 H new ATOM 0 HG23 VAL A 51 -1.457 -3.713 -4.519 1.00 0.78 H new ATOM 513 N ALA A 52 0.616 -4.488 -0.455 1.00 0.67 N ATOM 514 CA ALA A 52 1.082 -4.780 0.936 1.00 0.73 C ATOM 515 C ALA A 52 2.448 -4.135 1.155 1.00 0.72 C ATOM 516 O ALA A 52 2.660 -3.428 2.122 1.00 0.71 O ATOM 517 CB ALA A 52 1.187 -6.303 1.021 1.00 0.93 C ATOM 0 H ALA A 52 0.514 -5.305 -1.058 1.00 0.67 H new ATOM 0 HA ALA A 52 0.405 -4.387 1.695 1.00 0.73 H new ATOM 0 HB1 ALA A 52 1.525 -6.589 2.017 1.00 0.93 H new ATOM 0 HB2 ALA A 52 0.210 -6.746 0.827 1.00 0.93 H new ATOM 0 HB3 ALA A 52 1.901 -6.660 0.279 1.00 0.93 H new ATOM 523 N PHE A 53 3.369 -4.364 0.246 1.00 0.80 N ATOM 524 CA PHE A 53 4.729 -3.753 0.368 1.00 0.87 C ATOM 525 C PHE A 53 4.579 -2.247 0.601 1.00 0.75 C ATOM 526 O PHE A 53 5.032 -1.707 1.597 1.00 0.81 O ATOM 527 CB PHE A 53 5.405 -4.036 -0.978 1.00 0.98 C ATOM 528 CG PHE A 53 6.747 -3.344 -1.036 1.00 1.08 C ATOM 529 CD1 PHE A 53 7.687 -3.549 -0.020 1.00 1.20 C ATOM 530 CD2 PHE A 53 7.048 -2.498 -2.109 1.00 1.12 C ATOM 531 CE1 PHE A 53 8.929 -2.906 -0.077 1.00 1.32 C ATOM 532 CE2 PHE A 53 8.290 -1.856 -2.167 1.00 1.25 C ATOM 533 CZ PHE A 53 9.231 -2.059 -1.151 1.00 1.34 C ATOM 0 H PHE A 53 3.234 -4.951 -0.578 1.00 0.80 H new ATOM 0 HA PHE A 53 5.311 -4.154 1.198 1.00 0.87 H new ATOM 0 HB2 PHE A 53 5.534 -5.110 -1.111 1.00 0.98 H new ATOM 0 HB3 PHE A 53 4.771 -3.688 -1.793 1.00 0.98 H new ATOM 0 HD1 PHE A 53 7.454 -4.203 0.808 1.00 1.20 H new ATOM 0 HD2 PHE A 53 6.322 -2.340 -2.893 1.00 1.12 H new ATOM 0 HE1 PHE A 53 9.655 -3.063 0.707 1.00 1.32 H new ATOM 0 HE2 PHE A 53 8.522 -1.204 -2.996 1.00 1.25 H new ATOM 0 HZ PHE A 53 10.189 -1.563 -1.195 1.00 1.34 H new ATOM 543 N LEU A 54 3.909 -1.573 -0.297 1.00 0.64 N ATOM 544 CA LEU A 54 3.693 -0.111 -0.117 1.00 0.59 C ATOM 545 C LEU A 54 2.942 0.121 1.198 1.00 0.53 C ATOM 546 O LEU A 54 3.211 1.060 1.919 1.00 0.62 O ATOM 547 CB LEU A 54 2.848 0.321 -1.319 1.00 0.54 C ATOM 548 CG LEU A 54 3.760 0.674 -2.500 1.00 0.75 C ATOM 549 CD1 LEU A 54 4.673 1.842 -2.117 1.00 1.33 C ATOM 550 CD2 LEU A 54 4.615 -0.540 -2.871 1.00 1.24 C ATOM 0 H LEU A 54 3.504 -1.972 -1.144 1.00 0.64 H new ATOM 0 HA LEU A 54 4.622 0.457 -0.068 1.00 0.59 H new ATOM 0 HB2 LEU A 54 2.166 -0.481 -1.602 1.00 0.54 H new ATOM 0 HB3 LEU A 54 2.234 1.182 -1.052 1.00 0.54 H new ATOM 0 HG LEU A 54 3.145 0.960 -3.354 1.00 0.75 H new ATOM 0 HD11 LEU A 54 5.319 2.090 -2.959 1.00 1.33 H new ATOM 0 HD12 LEU A 54 4.065 2.709 -1.859 1.00 1.33 H new ATOM 0 HD13 LEU A 54 5.285 1.560 -1.260 1.00 1.33 H new ATOM 0 HD21 LEU A 54 5.262 -0.286 -3.711 1.00 1.24 H new ATOM 0 HD22 LEU A 54 5.226 -0.829 -2.016 1.00 1.24 H new ATOM 0 HD23 LEU A 54 3.966 -1.370 -3.151 1.00 1.24 H new ATOM 562 N ARG A 55 2.015 -0.752 1.521 1.00 0.47 N ATOM 563 CA ARG A 55 1.250 -0.609 2.798 1.00 0.53 C ATOM 564 C ARG A 55 2.150 -0.918 4.000 1.00 0.71 C ATOM 565 O ARG A 55 1.769 -0.717 5.138 1.00 0.82 O ATOM 566 CB ARG A 55 0.107 -1.622 2.704 1.00 0.54 C ATOM 567 CG ARG A 55 -0.832 -1.450 3.902 1.00 0.66 C ATOM 568 CD ARG A 55 -0.594 -2.577 4.911 1.00 0.86 C ATOM 569 NE ARG A 55 -1.379 -2.185 6.114 1.00 1.06 N ATOM 570 CZ ARG A 55 -0.779 -2.023 7.262 1.00 1.14 C ATOM 571 NH1 ARG A 55 0.192 -1.159 7.375 1.00 1.33 N ATOM 572 NH2 ARG A 55 -1.150 -2.726 8.297 1.00 1.33 N ATOM 0 H ARG A 55 1.757 -1.558 0.952 1.00 0.47 H new ATOM 0 HA ARG A 55 0.878 0.406 2.937 1.00 0.53 H new ATOM 0 HB2 ARG A 55 -0.444 -1.479 1.774 1.00 0.54 H new ATOM 0 HB3 ARG A 55 0.507 -2.636 2.685 1.00 0.54 H new ATOM 0 HG2 ARG A 55 -0.660 -0.483 4.375 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -1.869 -1.461 3.568 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -0.927 -3.537 4.517 1.00 0.86 H new ATOM 0 HD3 ARG A 55 0.465 -2.680 5.146 1.00 0.86 H new ATOM 0 HE ARG A 55 -2.386 -2.043 6.041 1.00 1.06 H new ATOM 0 HH11 ARG A 55 0.483 -0.610 6.566 1.00 1.33 H new ATOM 0 HH12 ARG A 55 0.660 -1.033 8.272 1.00 1.33 H new ATOM 0 HH21 ARG A 55 -1.909 -3.402 8.209 1.00 1.33 H new ATOM 0 HH22 ARG A 55 -0.681 -2.599 9.194 1.00 1.33 H new ATOM 586 N PHE A 56 3.342 -1.401 3.760 1.00 0.77 N ATOM 587 CA PHE A 56 4.261 -1.708 4.892 1.00 0.96 C ATOM 588 C PHE A 56 5.264 -0.567 5.079 1.00 1.04 C ATOM 589 O PHE A 56 5.832 -0.406 6.142 1.00 1.19 O ATOM 590 CB PHE A 56 5.003 -2.985 4.485 1.00 1.04 C ATOM 591 CG PHE A 56 4.065 -4.180 4.439 1.00 1.11 C ATOM 592 CD1 PHE A 56 2.738 -4.087 4.899 1.00 1.06 C ATOM 593 CD2 PHE A 56 4.537 -5.396 3.931 1.00 1.59 C ATOM 594 CE1 PHE A 56 1.899 -5.206 4.847 1.00 1.19 C ATOM 595 CE2 PHE A 56 3.695 -6.514 3.880 1.00 1.88 C ATOM 596 CZ PHE A 56 2.377 -6.418 4.337 1.00 1.58 C ATOM 0 H PHE A 56 3.716 -1.595 2.831 1.00 0.77 H new ATOM 0 HA PHE A 56 3.718 -1.830 5.829 1.00 0.96 H new ATOM 0 HB2 PHE A 56 5.464 -2.844 3.507 1.00 1.04 H new ATOM 0 HB3 PHE A 56 5.809 -3.180 5.192 1.00 1.04 H new ATOM 0 HD1 PHE A 56 2.367 -3.152 5.292 1.00 1.06 H new ATOM 0 HD2 PHE A 56 5.554 -5.472 3.577 1.00 1.59 H new ATOM 0 HE1 PHE A 56 0.881 -5.134 5.201 1.00 1.19 H new ATOM 0 HE2 PHE A 56 4.064 -7.450 3.488 1.00 1.88 H new ATOM 0 HZ PHE A 56 1.728 -7.280 4.296 1.00 1.58 H new ATOM 606 N LEU A 57 5.508 0.207 4.048 1.00 0.97 N ATOM 607 CA LEU A 57 6.509 1.315 4.170 1.00 1.11 C ATOM 608 C LEU A 57 5.843 2.692 4.303 1.00 1.11 C ATOM 609 O LEU A 57 6.302 3.527 5.061 1.00 1.26 O ATOM 610 CB LEU A 57 7.336 1.247 2.882 1.00 1.13 C ATOM 611 CG LEU A 57 7.720 -0.209 2.582 1.00 1.15 C ATOM 612 CD1 LEU A 57 8.625 -0.259 1.347 1.00 1.24 C ATOM 613 CD2 LEU A 57 8.454 -0.813 3.785 1.00 1.30 C ATOM 0 H LEU A 57 5.062 0.121 3.135 1.00 0.97 H new ATOM 0 HA LEU A 57 7.114 1.194 5.069 1.00 1.11 H new ATOM 0 HB2 LEU A 57 6.765 1.660 2.051 1.00 1.13 H new ATOM 0 HB3 LEU A 57 8.235 1.855 2.984 1.00 1.13 H new ATOM 0 HG LEU A 57 6.815 -0.785 2.390 1.00 1.15 H new ATOM 0 HD11 LEU A 57 8.896 -1.293 1.136 1.00 1.24 H new ATOM 0 HD12 LEU A 57 8.096 0.159 0.491 1.00 1.24 H new ATOM 0 HD13 LEU A 57 9.528 0.322 1.534 1.00 1.24 H new ATOM 0 HD21 LEU A 57 8.724 -1.846 3.566 1.00 1.30 H new ATOM 0 HD22 LEU A 57 9.357 -0.237 3.987 1.00 1.30 H new ATOM 0 HD23 LEU A 57 7.804 -0.786 4.659 1.00 1.30 H new ATOM 625 N THR A 58 4.793 2.956 3.563 1.00 0.99 N ATOM 626 CA THR A 58 4.146 4.306 3.652 1.00 1.06 C ATOM 627 C THR A 58 2.618 4.228 3.504 1.00 0.95 C ATOM 628 O THR A 58 1.927 5.210 3.700 1.00 1.03 O ATOM 629 CB THR A 58 4.753 5.090 2.489 1.00 1.12 C ATOM 630 OG1 THR A 58 6.163 5.152 2.647 1.00 1.26 O ATOM 631 CG2 THR A 58 4.177 6.503 2.468 1.00 1.24 C ATOM 0 H THR A 58 4.359 2.305 2.908 1.00 0.99 H new ATOM 0 HA THR A 58 4.321 4.770 4.623 1.00 1.06 H new ATOM 0 HB THR A 58 4.514 4.591 1.550 1.00 1.12 H new ATOM 0 HG1 THR A 58 6.554 5.653 1.901 1.00 1.26 H new ATOM 0 HG21 THR A 58 4.611 7.061 1.638 1.00 1.24 H new ATOM 0 HG22 THR A 58 3.095 6.453 2.345 1.00 1.24 H new ATOM 0 HG23 THR A 58 4.413 7.006 3.406 1.00 1.24 H new ATOM 639 N ILE A 59 2.091 3.081 3.161 1.00 0.79 N ATOM 640 CA ILE A 59 0.612 2.932 2.997 1.00 0.71 C ATOM 641 C ILE A 59 0.035 4.000 2.048 1.00 0.75 C ATOM 642 O ILE A 59 -0.830 4.765 2.430 1.00 0.88 O ATOM 643 CB ILE A 59 0.036 3.080 4.409 1.00 0.86 C ATOM 644 CG1 ILE A 59 0.584 1.964 5.300 1.00 0.90 C ATOM 645 CG2 ILE A 59 -1.494 2.975 4.352 1.00 0.87 C ATOM 646 CD1 ILE A 59 1.949 2.373 5.860 1.00 1.03 C ATOM 0 H ILE A 59 2.628 2.231 2.985 1.00 0.79 H new ATOM 0 HA ILE A 59 0.355 1.972 2.549 1.00 0.71 H new ATOM 0 HB ILE A 59 0.321 4.050 4.817 1.00 0.86 H new ATOM 0 HG12 ILE A 59 -0.110 1.764 6.117 1.00 0.90 H new ATOM 0 HG13 ILE A 59 0.677 1.041 4.728 1.00 0.90 H new ATOM 0 HG21 ILE A 59 -1.904 3.080 5.357 1.00 0.87 H new ATOM 0 HG22 ILE A 59 -1.889 3.766 3.714 1.00 0.87 H new ATOM 0 HG23 ILE A 59 -1.777 2.004 3.945 1.00 0.87 H new ATOM 0 HD11 ILE A 59 2.336 1.575 6.494 1.00 1.03 H new ATOM 0 HD12 ILE A 59 2.641 2.551 5.037 1.00 1.03 H new ATOM 0 HD13 ILE A 59 1.843 3.285 6.448 1.00 1.03 H new ATOM 658 N PRO A 60 0.520 4.002 0.828 1.00 0.71 N ATOM 659 CA PRO A 60 0.038 4.930 -0.208 1.00 0.81 C ATOM 660 C PRO A 60 -0.868 4.171 -1.207 1.00 0.74 C ATOM 661 O PRO A 60 -0.514 4.032 -2.364 1.00 0.78 O ATOM 662 CB PRO A 60 1.349 5.321 -0.893 1.00 0.90 C ATOM 663 CG PRO A 60 2.286 4.158 -0.651 1.00 0.80 C ATOM 664 CD PRO A 60 1.588 3.186 0.279 1.00 0.64 C ATOM 0 HA PRO A 60 -0.544 5.771 0.170 1.00 0.81 H new ATOM 0 HB2 PRO A 60 1.200 5.492 -1.959 1.00 0.90 H new ATOM 0 HB3 PRO A 60 1.751 6.244 -0.476 1.00 0.90 H new ATOM 0 HG2 PRO A 60 2.540 3.670 -1.592 1.00 0.80 H new ATOM 0 HG3 PRO A 60 3.220 4.505 -0.209 1.00 0.80 H new ATOM 0 HD2 PRO A 60 1.203 2.317 -0.254 1.00 0.64 H new ATOM 0 HD3 PRO A 60 2.256 2.814 1.055 1.00 0.64 H new ATOM 672 N PRO A 61 -1.998 3.678 -0.742 1.00 0.70 N ATOM 673 CA PRO A 61 -2.902 2.916 -1.639 1.00 0.71 C ATOM 674 C PRO A 61 -3.530 3.841 -2.680 1.00 0.89 C ATOM 675 O PRO A 61 -4.320 4.708 -2.358 1.00 1.03 O ATOM 676 CB PRO A 61 -3.960 2.348 -0.700 1.00 0.72 C ATOM 677 CG PRO A 61 -3.957 3.266 0.473 1.00 0.79 C ATOM 678 CD PRO A 61 -2.547 3.777 0.616 1.00 0.74 C ATOM 0 HA PRO A 61 -2.385 2.138 -2.201 1.00 0.71 H new ATOM 0 HB2 PRO A 61 -4.939 2.319 -1.178 1.00 0.72 H new ATOM 0 HB3 PRO A 61 -3.720 1.327 -0.404 1.00 0.72 H new ATOM 0 HG2 PRO A 61 -4.654 4.090 0.322 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -4.273 2.743 1.375 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -2.529 4.804 0.981 1.00 0.74 H new ATOM 0 HD3 PRO A 61 -1.974 3.177 1.324 1.00 0.74 H new ATOM 686 N THR A 62 -3.182 3.657 -3.928 1.00 0.95 N ATOM 687 CA THR A 62 -3.752 4.517 -5.007 1.00 1.16 C ATOM 688 C THR A 62 -5.286 4.414 -4.994 1.00 1.24 C ATOM 689 O THR A 62 -5.845 3.523 -4.385 1.00 1.16 O ATOM 690 CB THR A 62 -3.136 3.969 -6.310 1.00 1.23 C ATOM 691 OG1 THR A 62 -2.402 5.003 -6.948 1.00 1.41 O ATOM 692 CG2 THR A 62 -4.224 3.464 -7.261 1.00 1.33 C ATOM 0 H THR A 62 -2.525 2.945 -4.247 1.00 0.95 H new ATOM 0 HA THR A 62 -3.523 5.576 -4.886 1.00 1.16 H new ATOM 0 HB THR A 62 -2.480 3.135 -6.060 1.00 1.23 H new ATOM 0 HG1 THR A 62 -2.006 4.660 -7.776 1.00 1.41 H new ATOM 0 HG21 THR A 62 -3.763 3.083 -8.172 1.00 1.33 H new ATOM 0 HG22 THR A 62 -4.787 2.666 -6.778 1.00 1.33 H new ATOM 0 HG23 THR A 62 -4.898 4.284 -7.511 1.00 1.33 H new ATOM 700 N ALA A 63 -5.959 5.328 -5.651 1.00 1.42 N ATOM 701 CA ALA A 63 -7.459 5.311 -5.677 1.00 1.54 C ATOM 702 C ALA A 63 -7.995 3.925 -6.054 1.00 1.52 C ATOM 703 O ALA A 63 -8.907 3.414 -5.431 1.00 1.54 O ATOM 704 CB ALA A 63 -7.846 6.336 -6.744 1.00 1.75 C ATOM 0 H ALA A 63 -5.531 6.092 -6.175 1.00 1.42 H new ATOM 0 HA ALA A 63 -7.878 5.546 -4.699 1.00 1.54 H new ATOM 0 HB1 ALA A 63 -8.932 6.384 -6.825 1.00 1.75 H new ATOM 0 HB2 ALA A 63 -7.459 7.316 -6.464 1.00 1.75 H new ATOM 0 HB3 ALA A 63 -7.423 6.039 -7.704 1.00 1.75 H new ATOM 710 N GLY A 64 -7.441 3.324 -7.075 1.00 1.52 N ATOM 711 CA GLY A 64 -7.912 1.976 -7.514 1.00 1.55 C ATOM 712 C GLY A 64 -7.842 0.977 -6.355 1.00 1.40 C ATOM 713 O GLY A 64 -8.752 0.207 -6.148 1.00 1.47 O ATOM 0 H GLY A 64 -6.677 3.712 -7.628 1.00 1.52 H new ATOM 0 HA2 GLY A 64 -8.936 2.044 -7.881 1.00 1.55 H new ATOM 0 HA3 GLY A 64 -7.299 1.623 -8.343 1.00 1.55 H new ATOM 717 N ILE A 65 -6.767 0.978 -5.608 1.00 1.23 N ATOM 718 CA ILE A 65 -6.631 0.019 -4.464 1.00 1.11 C ATOM 719 C ILE A 65 -7.868 0.073 -3.562 1.00 1.19 C ATOM 720 O ILE A 65 -8.324 -0.939 -3.067 1.00 1.23 O ATOM 721 CB ILE A 65 -5.381 0.477 -3.697 1.00 0.92 C ATOM 722 CG1 ILE A 65 -4.164 0.498 -4.635 1.00 0.90 C ATOM 723 CG2 ILE A 65 -5.106 -0.485 -2.535 1.00 0.82 C ATOM 724 CD1 ILE A 65 -4.082 -0.817 -5.415 1.00 0.97 C ATOM 0 H ILE A 65 -5.973 1.604 -5.740 1.00 1.23 H new ATOM 0 HA ILE A 65 -6.541 -1.011 -4.808 1.00 1.11 H new ATOM 0 HB ILE A 65 -5.555 1.481 -3.310 1.00 0.92 H new ATOM 0 HG12 ILE A 65 -4.242 1.337 -5.327 1.00 0.90 H new ATOM 0 HG13 ILE A 65 -3.252 0.645 -4.057 1.00 0.90 H new ATOM 0 HG21 ILE A 65 -4.219 -0.157 -1.993 1.00 0.82 H new ATOM 0 HG22 ILE A 65 -5.961 -0.493 -1.859 1.00 0.82 H new ATOM 0 HG23 ILE A 65 -4.942 -1.489 -2.925 1.00 0.82 H new ATOM 0 HD11 ILE A 65 -3.217 -0.794 -6.077 1.00 0.97 H new ATOM 0 HD12 ILE A 65 -3.983 -1.648 -4.717 1.00 0.97 H new ATOM 0 HD13 ILE A 65 -4.988 -0.946 -6.007 1.00 0.97 H new ATOM 736 N LEU A 66 -8.420 1.243 -3.356 1.00 1.26 N ATOM 737 CA LEU A 66 -9.633 1.358 -2.491 1.00 1.39 C ATOM 738 C LEU A 66 -10.881 0.954 -3.279 1.00 1.57 C ATOM 739 O LEU A 66 -11.654 0.121 -2.845 1.00 1.65 O ATOM 740 CB LEU A 66 -9.718 2.836 -2.085 1.00 1.44 C ATOM 741 CG LEU A 66 -8.642 3.182 -1.043 1.00 1.30 C ATOM 742 CD1 LEU A 66 -8.616 2.130 0.071 1.00 1.31 C ATOM 743 CD2 LEU A 66 -7.275 3.239 -1.723 1.00 1.16 C ATOM 0 H LEU A 66 -8.083 2.122 -3.749 1.00 1.26 H new ATOM 0 HA LEU A 66 -9.571 0.705 -1.620 1.00 1.39 H new ATOM 0 HB2 LEU A 66 -9.593 3.467 -2.965 1.00 1.44 H new ATOM 0 HB3 LEU A 66 -10.706 3.049 -1.677 1.00 1.44 H new ATOM 0 HG LEU A 66 -8.877 4.152 -0.604 1.00 1.30 H new ATOM 0 HD11 LEU A 66 -7.849 2.391 0.800 1.00 1.31 H new ATOM 0 HD12 LEU A 66 -9.588 2.097 0.563 1.00 1.31 H new ATOM 0 HD13 LEU A 66 -8.393 1.153 -0.357 1.00 1.31 H new ATOM 0 HD21 LEU A 66 -6.511 3.484 -0.985 1.00 1.16 H new ATOM 0 HD22 LEU A 66 -7.050 2.270 -2.170 1.00 1.16 H new ATOM 0 HD23 LEU A 66 -7.287 4.003 -2.500 1.00 1.16 H new ATOM 755 N LYS A 67 -11.080 1.541 -4.433 1.00 1.65 N ATOM 756 CA LYS A 67 -12.278 1.197 -5.260 1.00 1.84 C ATOM 757 C LYS A 67 -12.290 -0.303 -5.564 1.00 1.85 C ATOM 758 O LYS A 67 -13.327 -0.939 -5.563 1.00 1.99 O ATOM 759 CB LYS A 67 -12.120 2.005 -6.548 1.00 1.91 C ATOM 760 CG LYS A 67 -12.651 3.423 -6.330 1.00 2.01 C ATOM 761 CD LYS A 67 -14.181 3.405 -6.351 1.00 2.20 C ATOM 762 CE LYS A 67 -14.672 3.058 -7.760 1.00 2.34 C ATOM 763 NZ LYS A 67 -15.591 1.901 -7.574 1.00 2.47 N ATOM 0 H LYS A 67 -10.463 2.245 -4.839 1.00 1.65 H new ATOM 0 HA LYS A 67 -13.213 1.428 -4.750 1.00 1.84 H new ATOM 0 HB2 LYS A 67 -11.071 2.039 -6.842 1.00 1.91 H new ATOM 0 HB3 LYS A 67 -12.663 1.523 -7.361 1.00 1.91 H new ATOM 0 HG2 LYS A 67 -12.295 3.813 -5.377 1.00 2.01 H new ATOM 0 HG3 LYS A 67 -12.274 4.087 -7.108 1.00 2.01 H new ATOM 0 HD2 LYS A 67 -14.556 2.674 -5.634 1.00 2.20 H new ATOM 0 HD3 LYS A 67 -14.570 4.377 -6.049 1.00 2.20 H new ATOM 0 HE2 LYS A 67 -15.188 3.902 -8.217 1.00 2.34 H new ATOM 0 HE3 LYS A 67 -13.840 2.800 -8.415 1.00 2.34 H new ATOM 0 HZ1 LYS A 67 -15.968 1.606 -8.497 1.00 2.47 H new ATOM 0 HZ2 LYS A 67 -15.071 1.110 -7.143 1.00 2.47 H new ATOM 0 HZ3 LYS A 67 -16.377 2.178 -6.951 1.00 2.47 H new ATOM 777 N ARG A 68 -11.137 -0.867 -5.813 1.00 1.72 N ATOM 778 CA ARG A 68 -11.056 -2.325 -6.108 1.00 1.75 C ATOM 779 C ARG A 68 -11.176 -3.117 -4.799 1.00 1.71 C ATOM 780 O ARG A 68 -11.630 -4.245 -4.784 1.00 1.82 O ATOM 781 CB ARG A 68 -9.686 -2.522 -6.784 1.00 1.66 C ATOM 782 CG ARG A 68 -8.622 -2.932 -5.760 1.00 1.49 C ATOM 783 CD ARG A 68 -7.238 -2.886 -6.416 1.00 1.41 C ATOM 784 NE ARG A 68 -7.120 -4.175 -7.154 1.00 1.55 N ATOM 785 CZ ARG A 68 -7.709 -4.324 -8.309 1.00 1.72 C ATOM 786 NH1 ARG A 68 -7.581 -3.408 -9.230 1.00 1.79 N ATOM 787 NH2 ARG A 68 -8.426 -5.389 -8.543 1.00 1.94 N ATOM 0 H ARG A 68 -10.243 -0.375 -5.824 1.00 1.72 H new ATOM 0 HA ARG A 68 -11.857 -2.679 -6.756 1.00 1.75 H new ATOM 0 HB2 ARG A 68 -9.765 -3.286 -7.558 1.00 1.66 H new ATOM 0 HB3 ARG A 68 -9.384 -1.598 -7.278 1.00 1.66 H new ATOM 0 HG2 ARG A 68 -8.652 -2.262 -4.901 1.00 1.49 H new ATOM 0 HG3 ARG A 68 -8.827 -3.936 -5.389 1.00 1.49 H new ATOM 0 HD2 ARG A 68 -7.149 -2.035 -7.091 1.00 1.41 H new ATOM 0 HD3 ARG A 68 -6.450 -2.785 -5.670 1.00 1.41 H new ATOM 0 HE ARG A 68 -6.578 -4.942 -6.756 1.00 1.55 H new ATOM 0 HH11 ARG A 68 -7.021 -2.576 -9.047 1.00 1.79 H new ATOM 0 HH12 ARG A 68 -8.041 -3.525 -10.133 1.00 1.79 H new ATOM 0 HH21 ARG A 68 -8.526 -6.105 -7.823 1.00 1.94 H new ATOM 0 HH22 ARG A 68 -8.886 -5.506 -9.446 1.00 1.94 H new ATOM 801 N TRP A 69 -10.773 -2.518 -3.705 1.00 1.59 N ATOM 802 CA TRP A 69 -10.853 -3.197 -2.373 1.00 1.58 C ATOM 803 C TRP A 69 -12.243 -3.800 -2.131 1.00 1.78 C ATOM 804 O TRP A 69 -12.372 -4.853 -1.534 1.00 1.84 O ATOM 805 CB TRP A 69 -10.606 -2.076 -1.369 1.00 1.49 C ATOM 806 CG TRP A 69 -9.933 -2.611 -0.150 1.00 1.41 C ATOM 807 CD1 TRP A 69 -10.400 -2.465 1.108 1.00 1.49 C ATOM 808 CD2 TRP A 69 -8.685 -3.360 -0.040 1.00 1.28 C ATOM 809 NE1 TRP A 69 -9.522 -3.070 1.983 1.00 1.42 N ATOM 810 CE2 TRP A 69 -8.451 -3.633 1.328 1.00 1.29 C ATOM 811 CE3 TRP A 69 -7.741 -3.823 -0.978 1.00 1.19 C ATOM 812 CZ2 TRP A 69 -7.326 -4.336 1.752 1.00 1.22 C ATOM 813 CZ3 TRP A 69 -6.608 -4.532 -0.550 1.00 1.11 C ATOM 814 CH2 TRP A 69 -6.403 -4.784 0.813 1.00 1.12 C ATOM 0 H TRP A 69 -10.387 -1.574 -3.678 1.00 1.59 H new ATOM 0 HA TRP A 69 -10.140 -4.018 -2.297 1.00 1.58 H new ATOM 0 HB2 TRP A 69 -9.988 -1.301 -1.823 1.00 1.49 H new ATOM 0 HB3 TRP A 69 -11.552 -1.609 -1.095 1.00 1.49 H new ATOM 0 HD1 TRP A 69 -11.312 -1.957 1.384 1.00 1.49 H new ATOM 0 HE1 TRP A 69 -9.651 -3.097 2.994 1.00 1.42 H new ATOM 0 HE3 TRP A 69 -7.890 -3.632 -2.030 1.00 1.19 H new ATOM 0 HZ2 TRP A 69 -7.171 -4.532 2.803 1.00 1.22 H new ATOM 0 HZ3 TRP A 69 -5.890 -4.885 -1.275 1.00 1.11 H new ATOM 0 HH2 TRP A 69 -5.527 -5.327 1.135 1.00 1.12 H new ATOM 825 N GLY A 70 -13.282 -3.126 -2.565 1.00 1.90 N ATOM 826 CA GLY A 70 -14.666 -3.642 -2.334 1.00 2.10 C ATOM 827 C GLY A 70 -15.299 -4.101 -3.648 1.00 2.23 C ATOM 828 O GLY A 70 -16.444 -3.798 -3.928 1.00 2.40 O ATOM 0 H GLY A 70 -13.230 -2.241 -3.069 1.00 1.90 H new ATOM 0 HA2 GLY A 70 -14.637 -4.473 -1.629 1.00 2.10 H new ATOM 0 HA3 GLY A 70 -15.279 -2.862 -1.882 1.00 2.10 H new ATOM 832 N THR A 71 -14.576 -4.840 -4.448 1.00 2.18 N ATOM 833 CA THR A 71 -15.153 -5.330 -5.736 1.00 2.33 C ATOM 834 C THR A 71 -14.283 -6.449 -6.323 1.00 2.32 C ATOM 835 O THR A 71 -14.267 -6.667 -7.520 1.00 2.40 O ATOM 836 CB THR A 71 -15.190 -4.102 -6.657 1.00 2.34 C ATOM 837 OG1 THR A 71 -16.157 -4.312 -7.677 1.00 2.54 O ATOM 838 CG2 THR A 71 -13.820 -3.872 -7.298 1.00 2.25 C ATOM 0 H THR A 71 -13.614 -5.125 -4.267 1.00 2.18 H new ATOM 0 HA THR A 71 -16.148 -5.756 -5.607 1.00 2.33 H new ATOM 0 HB THR A 71 -15.453 -3.225 -6.066 1.00 2.34 H new ATOM 0 HG1 THR A 71 -16.006 -5.185 -8.097 1.00 2.54 H new ATOM 0 HG21 THR A 71 -13.864 -2.998 -7.948 1.00 2.25 H new ATOM 0 HG22 THR A 71 -13.076 -3.707 -6.518 1.00 2.25 H new ATOM 0 HG23 THR A 71 -13.542 -4.747 -7.886 1.00 2.25 H new ATOM 846 N ILE A 72 -13.568 -7.161 -5.486 1.00 2.24 N ATOM 847 CA ILE A 72 -12.705 -8.272 -5.988 1.00 2.25 C ATOM 848 C ILE A 72 -13.312 -9.626 -5.587 1.00 2.39 C ATOM 849 O ILE A 72 -14.469 -9.888 -5.855 1.00 2.55 O ATOM 850 CB ILE A 72 -11.333 -8.045 -5.341 1.00 2.06 C ATOM 851 CG1 ILE A 72 -11.466 -8.036 -3.816 1.00 2.00 C ATOM 852 CG2 ILE A 72 -10.761 -6.706 -5.811 1.00 1.94 C ATOM 853 CD1 ILE A 72 -10.192 -8.613 -3.195 1.00 1.89 C ATOM 0 H ILE A 72 -13.546 -7.019 -4.476 1.00 2.24 H new ATOM 0 HA ILE A 72 -12.622 -8.284 -7.075 1.00 2.25 H new ATOM 0 HB ILE A 72 -10.663 -8.853 -5.636 1.00 2.06 H new ATOM 0 HG12 ILE A 72 -11.630 -7.019 -3.460 1.00 2.00 H new ATOM 0 HG13 ILE A 72 -12.332 -8.624 -3.511 1.00 2.00 H new ATOM 0 HG21 ILE A 72 -9.786 -6.545 -5.351 1.00 1.94 H new ATOM 0 HG22 ILE A 72 -10.653 -6.717 -6.896 1.00 1.94 H new ATOM 0 HG23 ILE A 72 -11.436 -5.900 -5.522 1.00 1.94 H new ATOM 0 HD11 ILE A 72 -10.282 -8.608 -2.109 1.00 1.89 H new ATOM 0 HD12 ILE A 72 -10.049 -9.636 -3.543 1.00 1.89 H new ATOM 0 HD13 ILE A 72 -9.336 -8.006 -3.490 1.00 1.89 H new ATOM 865 N LYS A 73 -12.546 -10.489 -4.966 1.00 2.36 N ATOM 866 CA LYS A 73 -13.083 -11.826 -4.571 1.00 2.52 C ATOM 867 C LYS A 73 -13.078 -11.998 -3.058 1.00 2.48 C ATOM 868 O LYS A 73 -13.934 -12.659 -2.502 1.00 2.62 O ATOM 869 CB LYS A 73 -12.118 -12.824 -5.203 1.00 2.57 C ATOM 870 CG LYS A 73 -12.591 -14.247 -4.921 1.00 2.74 C ATOM 871 CD LYS A 73 -13.283 -14.817 -6.161 1.00 2.98 C ATOM 872 CE LYS A 73 -14.401 -15.770 -5.731 1.00 3.28 C ATOM 873 NZ LYS A 73 -15.521 -15.499 -6.674 1.00 3.64 N ATOM 0 H LYS A 73 -11.571 -10.324 -4.716 1.00 2.36 H new ATOM 0 HA LYS A 73 -14.115 -11.958 -4.897 1.00 2.52 H new ATOM 0 HB2 LYS A 73 -12.059 -12.657 -6.278 1.00 2.57 H new ATOM 0 HB3 LYS A 73 -11.115 -12.678 -4.802 1.00 2.57 H new ATOM 0 HG2 LYS A 73 -11.743 -14.874 -4.646 1.00 2.74 H new ATOM 0 HG3 LYS A 73 -13.279 -14.251 -4.075 1.00 2.74 H new ATOM 0 HD2 LYS A 73 -13.693 -14.008 -6.765 1.00 2.98 H new ATOM 0 HD3 LYS A 73 -12.560 -15.345 -6.783 1.00 2.98 H new ATOM 0 HE2 LYS A 73 -14.078 -16.809 -5.790 1.00 3.28 H new ATOM 0 HE3 LYS A 73 -14.701 -15.587 -4.699 1.00 3.28 H new ATOM 0 HZ1 LYS A 73 -16.326 -16.115 -6.443 1.00 3.64 H new ATOM 0 HZ2 LYS A 73 -15.812 -14.504 -6.591 1.00 3.64 H new ATOM 0 HZ3 LYS A 73 -15.209 -15.688 -7.648 1.00 3.64 H new ATOM 887 N LYS A 74 -12.098 -11.434 -2.404 1.00 2.31 N ATOM 888 CA LYS A 74 -11.961 -11.562 -0.918 1.00 2.28 C ATOM 889 C LYS A 74 -11.535 -12.986 -0.551 1.00 2.38 C ATOM 890 O LYS A 74 -10.595 -13.183 0.191 1.00 2.32 O ATOM 891 CB LYS A 74 -13.324 -11.234 -0.282 1.00 2.39 C ATOM 892 CG LYS A 74 -13.966 -10.013 -0.942 1.00 2.36 C ATOM 893 CD LYS A 74 -12.951 -8.873 -1.066 1.00 2.16 C ATOM 894 CE LYS A 74 -12.535 -8.411 0.330 1.00 2.12 C ATOM 895 NZ LYS A 74 -12.361 -6.935 0.215 1.00 2.24 N ATOM 0 H LYS A 74 -11.368 -10.876 -2.846 1.00 2.31 H new ATOM 0 HA LYS A 74 -11.200 -10.874 -0.549 1.00 2.28 H new ATOM 0 HB2 LYS A 74 -13.988 -12.093 -0.377 1.00 2.39 H new ATOM 0 HB3 LYS A 74 -13.195 -11.048 0.784 1.00 2.39 H new ATOM 0 HG2 LYS A 74 -14.342 -10.282 -1.929 1.00 2.36 H new ATOM 0 HG3 LYS A 74 -14.822 -9.683 -0.354 1.00 2.36 H new ATOM 0 HD2 LYS A 74 -12.078 -9.208 -1.626 1.00 2.16 H new ATOM 0 HD3 LYS A 74 -13.386 -8.042 -1.622 1.00 2.16 H new ATOM 0 HE2 LYS A 74 -13.294 -8.662 1.071 1.00 2.12 H new ATOM 0 HE3 LYS A 74 -11.610 -8.894 0.646 1.00 2.12 H new ATOM 0 HZ1 LYS A 74 -12.691 -6.477 1.089 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 -11.355 -6.714 0.068 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 -12.915 -6.582 -0.591 1.00 2.24 H new ATOM 909 N SER A 75 -12.209 -13.982 -1.073 1.00 2.55 N ATOM 910 CA SER A 75 -11.831 -15.390 -0.752 1.00 2.67 C ATOM 911 C SER A 75 -10.393 -15.639 -1.196 1.00 2.58 C ATOM 912 O SER A 75 -9.616 -16.254 -0.495 1.00 2.59 O ATOM 913 CB SER A 75 -12.811 -16.265 -1.538 1.00 2.85 C ATOM 914 OG SER A 75 -12.501 -16.200 -2.923 1.00 3.15 O ATOM 0 H SER A 75 -13.002 -13.879 -1.706 1.00 2.55 H new ATOM 0 HA SER A 75 -11.883 -15.608 0.315 1.00 2.67 H new ATOM 0 HB2 SER A 75 -12.753 -17.296 -1.190 1.00 2.85 H new ATOM 0 HB3 SER A 75 -13.833 -15.928 -1.367 1.00 2.85 H new ATOM 0 HG SER A 75 -13.128 -16.762 -3.425 1.00 3.15 H new ATOM 920 N LYS A 76 -10.035 -15.144 -2.352 1.00 2.52 N ATOM 921 CA LYS A 76 -8.643 -15.327 -2.853 1.00 2.45 C ATOM 922 C LYS A 76 -7.701 -14.371 -2.117 1.00 2.26 C ATOM 923 O LYS A 76 -6.611 -14.743 -1.725 1.00 2.24 O ATOM 924 CB LYS A 76 -8.712 -14.981 -4.339 1.00 2.47 C ATOM 925 CG LYS A 76 -7.704 -15.834 -5.114 1.00 2.70 C ATOM 926 CD LYS A 76 -8.079 -17.315 -4.995 1.00 2.92 C ATOM 927 CE LYS A 76 -6.980 -18.064 -4.236 1.00 3.26 C ATOM 928 NZ LYS A 76 -6.174 -18.736 -5.293 1.00 3.67 N ATOM 0 H LYS A 76 -10.651 -14.619 -2.973 1.00 2.52 H new ATOM 0 HA LYS A 76 -8.266 -16.337 -2.691 1.00 2.45 H new ATOM 0 HB2 LYS A 76 -9.719 -15.157 -4.717 1.00 2.47 H new ATOM 0 HB3 LYS A 76 -8.497 -13.923 -4.486 1.00 2.47 H new ATOM 0 HG2 LYS A 76 -7.691 -15.536 -6.162 1.00 2.70 H new ATOM 0 HG3 LYS A 76 -6.699 -15.671 -4.724 1.00 2.70 H new ATOM 0 HD2 LYS A 76 -9.031 -17.419 -4.474 1.00 2.92 H new ATOM 0 HD3 LYS A 76 -8.210 -17.748 -5.987 1.00 2.92 H new ATOM 0 HE2 LYS A 76 -6.369 -17.379 -3.648 1.00 3.26 H new ATOM 0 HE3 LYS A 76 -7.404 -18.789 -3.541 1.00 3.26 H new ATOM 0 HZ1 LYS A 76 -5.399 -19.271 -4.851 1.00 3.67 H new ATOM 0 HZ2 LYS A 76 -6.781 -19.386 -5.832 1.00 3.67 H new ATOM 0 HZ3 LYS A 76 -5.778 -18.020 -5.935 1.00 3.67 H new ATOM 942 N ALA A 77 -8.120 -13.145 -1.919 1.00 2.14 N ATOM 943 CA ALA A 77 -7.257 -12.160 -1.199 1.00 1.95 C ATOM 944 C ALA A 77 -7.024 -12.630 0.236 1.00 1.99 C ATOM 945 O ALA A 77 -5.899 -12.739 0.688 1.00 1.93 O ATOM 946 CB ALA A 77 -8.043 -10.848 -1.203 1.00 1.86 C ATOM 0 H ALA A 77 -9.024 -12.784 -2.226 1.00 2.14 H new ATOM 0 HA ALA A 77 -6.281 -12.047 -1.672 1.00 1.95 H new ATOM 0 HB1 ALA A 77 -7.468 -10.078 -0.689 1.00 1.86 H new ATOM 0 HB2 ALA A 77 -8.228 -10.538 -2.231 1.00 1.86 H new ATOM 0 HB3 ALA A 77 -8.994 -10.992 -0.691 1.00 1.86 H new ATOM 952 N ILE A 78 -8.083 -12.913 0.952 1.00 2.10 N ATOM 953 CA ILE A 78 -7.936 -13.382 2.361 1.00 2.17 C ATOM 954 C ILE A 78 -7.091 -14.660 2.394 1.00 2.27 C ATOM 955 O ILE A 78 -6.215 -14.807 3.225 1.00 2.26 O ATOM 956 CB ILE A 78 -9.365 -13.639 2.850 1.00 2.31 C ATOM 957 CG1 ILE A 78 -10.140 -12.315 2.855 1.00 2.23 C ATOM 958 CG2 ILE A 78 -9.329 -14.210 4.269 1.00 2.41 C ATOM 959 CD1 ILE A 78 -11.633 -12.581 2.643 1.00 2.38 C ATOM 0 H ILE A 78 -9.044 -12.839 0.620 1.00 2.10 H new ATOM 0 HA ILE A 78 -7.430 -12.657 2.998 1.00 2.17 H new ATOM 0 HB ILE A 78 -9.854 -14.352 2.187 1.00 2.31 H new ATOM 0 HG12 ILE A 78 -9.985 -11.797 3.802 1.00 2.23 H new ATOM 0 HG13 ILE A 78 -9.764 -11.661 2.069 1.00 2.23 H new ATOM 0 HG21 ILE A 78 -10.347 -14.392 4.614 1.00 2.41 H new ATOM 0 HG22 ILE A 78 -8.773 -15.147 4.270 1.00 2.41 H new ATOM 0 HG23 ILE A 78 -8.842 -13.498 4.935 1.00 2.41 H new ATOM 0 HD11 ILE A 78 -12.175 -11.636 2.648 1.00 2.38 H new ATOM 0 HD12 ILE A 78 -11.781 -13.079 1.685 1.00 2.38 H new ATOM 0 HD13 ILE A 78 -12.007 -13.218 3.445 1.00 2.38 H new ATOM 971 N ASN A 79 -7.326 -15.574 1.480 1.00 2.38 N ATOM 972 CA ASN A 79 -6.505 -16.823 1.454 1.00 2.49 C ATOM 973 C ASN A 79 -5.053 -16.446 1.173 1.00 2.38 C ATOM 974 O ASN A 79 -4.134 -16.971 1.774 1.00 2.43 O ATOM 975 CB ASN A 79 -7.070 -17.671 0.314 1.00 2.62 C ATOM 976 CG ASN A 79 -8.044 -18.705 0.883 1.00 2.80 C ATOM 977 OD1 ASN A 79 -7.671 -19.520 1.704 1.00 2.94 O ATOM 978 ND2 ASN A 79 -9.285 -18.708 0.481 1.00 2.88 N ATOM 0 H ASN A 79 -8.044 -15.508 0.759 1.00 2.38 H new ATOM 0 HA ASN A 79 -6.539 -17.369 2.397 1.00 2.49 H new ATOM 0 HB2 ASN A 79 -7.580 -17.034 -0.409 1.00 2.62 H new ATOM 0 HB3 ASN A 79 -6.260 -18.172 -0.217 1.00 2.62 H new ATOM 0 HD21 ASN A 79 -9.941 -19.394 0.856 1.00 2.88 H new ATOM 0 HD22 ASN A 79 -9.600 -18.025 -0.208 1.00 2.88 H new ATOM 985 N VAL A 80 -4.850 -15.515 0.273 1.00 2.24 N ATOM 986 CA VAL A 80 -3.466 -15.060 -0.050 1.00 2.13 C ATOM 987 C VAL A 80 -2.816 -14.517 1.225 1.00 2.05 C ATOM 988 O VAL A 80 -1.699 -14.863 1.562 1.00 2.09 O ATOM 989 CB VAL A 80 -3.651 -13.953 -1.101 1.00 2.00 C ATOM 990 CG1 VAL A 80 -2.749 -12.759 -0.785 1.00 1.82 C ATOM 991 CG2 VAL A 80 -3.295 -14.503 -2.484 1.00 2.08 C ATOM 0 H VAL A 80 -5.589 -15.049 -0.253 1.00 2.24 H new ATOM 0 HA VAL A 80 -2.823 -15.855 -0.428 1.00 2.13 H new ATOM 0 HB VAL A 80 -4.690 -13.624 -1.086 1.00 2.00 H new ATOM 0 HG11 VAL A 80 -2.893 -11.985 -1.539 1.00 1.82 H new ATOM 0 HG12 VAL A 80 -3.003 -12.361 0.197 1.00 1.82 H new ATOM 0 HG13 VAL A 80 -1.707 -13.079 -0.788 1.00 1.82 H new ATOM 0 HG21 VAL A 80 -3.425 -13.720 -3.231 1.00 2.08 H new ATOM 0 HG22 VAL A 80 -2.258 -14.838 -2.486 1.00 2.08 H new ATOM 0 HG23 VAL A 80 -3.948 -15.343 -2.721 1.00 2.08 H new ATOM 1001 N LEU A 81 -3.523 -13.675 1.937 1.00 1.97 N ATOM 1002 CA LEU A 81 -2.969 -13.108 3.201 1.00 1.92 C ATOM 1003 C LEU A 81 -2.665 -14.244 4.174 1.00 2.09 C ATOM 1004 O LEU A 81 -1.671 -14.225 4.875 1.00 2.10 O ATOM 1005 CB LEU A 81 -4.066 -12.197 3.747 1.00 1.86 C ATOM 1006 CG LEU A 81 -3.622 -10.739 3.615 1.00 1.69 C ATOM 1007 CD1 LEU A 81 -4.179 -10.151 2.318 1.00 1.65 C ATOM 1008 CD2 LEU A 81 -4.145 -9.936 4.807 1.00 1.74 C ATOM 0 H LEU A 81 -4.461 -13.356 1.695 1.00 1.97 H new ATOM 0 HA LEU A 81 -2.041 -12.558 3.047 1.00 1.92 H new ATOM 0 HB2 LEU A 81 -4.995 -12.358 3.199 1.00 1.86 H new ATOM 0 HB3 LEU A 81 -4.267 -12.435 4.792 1.00 1.86 H new ATOM 0 HG LEU A 81 -2.533 -10.691 3.596 1.00 1.69 H new ATOM 0 HD11 LEU A 81 -3.863 -9.112 2.224 1.00 1.65 H new ATOM 0 HD12 LEU A 81 -3.804 -10.723 1.469 1.00 1.65 H new ATOM 0 HD13 LEU A 81 -5.268 -10.198 2.335 1.00 1.65 H new ATOM 0 HD21 LEU A 81 -3.829 -8.897 4.713 1.00 1.74 H new ATOM 0 HD22 LEU A 81 -5.234 -9.983 4.828 1.00 1.74 H new ATOM 0 HD23 LEU A 81 -3.746 -10.355 5.731 1.00 1.74 H new ATOM 1020 N ARG A 82 -3.504 -15.246 4.202 1.00 2.24 N ATOM 1021 CA ARG A 82 -3.251 -16.401 5.107 1.00 2.41 C ATOM 1022 C ARG A 82 -1.994 -17.124 4.624 1.00 2.46 C ATOM 1023 O ARG A 82 -1.145 -17.519 5.404 1.00 2.53 O ATOM 1024 CB ARG A 82 -4.482 -17.299 4.973 1.00 2.56 C ATOM 1025 CG ARG A 82 -4.689 -18.081 6.272 1.00 2.72 C ATOM 1026 CD ARG A 82 -5.710 -17.355 7.152 1.00 2.73 C ATOM 1027 NE ARG A 82 -6.933 -18.202 7.102 1.00 2.94 N ATOM 1028 CZ ARG A 82 -7.697 -18.183 6.045 1.00 3.02 C ATOM 1029 NH1 ARG A 82 -8.510 -17.183 5.846 1.00 3.19 N ATOM 1030 NH2 ARG A 82 -7.648 -19.165 5.187 1.00 3.28 N ATOM 0 H ARG A 82 -4.351 -15.313 3.638 1.00 2.24 H new ATOM 0 HA ARG A 82 -3.095 -16.109 6.145 1.00 2.41 H new ATOM 0 HB2 ARG A 82 -5.363 -16.696 4.755 1.00 2.56 H new ATOM 0 HB3 ARG A 82 -4.353 -17.988 4.138 1.00 2.56 H new ATOM 0 HG2 ARG A 82 -5.038 -19.089 6.049 1.00 2.72 H new ATOM 0 HG3 ARG A 82 -3.742 -18.181 6.803 1.00 2.72 H new ATOM 0 HD2 ARG A 82 -5.345 -17.248 8.174 1.00 2.73 H new ATOM 0 HD3 ARG A 82 -5.910 -16.351 6.778 1.00 2.73 H new ATOM 0 HE ARG A 82 -7.174 -18.797 7.894 1.00 2.94 H new ATOM 0 HH11 ARG A 82 -8.548 -16.416 6.517 1.00 3.19 H new ATOM 0 HH12 ARG A 82 -9.107 -17.168 5.019 1.00 3.19 H new ATOM 0 HH21 ARG A 82 -7.012 -19.947 5.343 1.00 3.28 H new ATOM 0 HH22 ARG A 82 -8.245 -19.150 4.360 1.00 3.28 H new ATOM 1044 N GLY A 83 -1.865 -17.273 3.328 1.00 2.43 N ATOM 1045 CA GLY A 83 -0.662 -17.941 2.759 1.00 2.49 C ATOM 1046 C GLY A 83 0.564 -17.096 3.097 1.00 2.37 C ATOM 1047 O GLY A 83 1.620 -17.615 3.408 1.00 2.45 O ATOM 0 H GLY A 83 -2.548 -16.957 2.639 1.00 2.43 H new ATOM 0 HA2 GLY A 83 -0.556 -18.945 3.170 1.00 2.49 H new ATOM 0 HA3 GLY A 83 -0.763 -18.048 1.679 1.00 2.49 H new ATOM 1051 N PHE A 84 0.422 -15.792 3.057 1.00 2.21 N ATOM 1052 CA PHE A 84 1.572 -14.904 3.398 1.00 2.10 C ATOM 1053 C PHE A 84 1.995 -15.178 4.840 1.00 2.19 C ATOM 1054 O PHE A 84 3.168 -15.195 5.160 1.00 2.23 O ATOM 1055 CB PHE A 84 1.047 -13.471 3.254 1.00 1.92 C ATOM 1056 CG PHE A 84 1.183 -12.999 1.828 1.00 1.82 C ATOM 1057 CD1 PHE A 84 2.361 -13.236 1.110 1.00 2.13 C ATOM 1058 CD2 PHE A 84 0.126 -12.307 1.229 1.00 2.03 C ATOM 1059 CE1 PHE A 84 2.475 -12.782 -0.205 1.00 2.06 C ATOM 1060 CE2 PHE A 84 0.245 -11.852 -0.082 1.00 2.03 C ATOM 1061 CZ PHE A 84 1.417 -12.090 -0.799 1.00 1.75 C ATOM 0 H PHE A 84 -0.439 -15.308 2.803 1.00 2.21 H new ATOM 0 HA PHE A 84 2.437 -15.070 2.755 1.00 2.10 H new ATOM 0 HB2 PHE A 84 0.001 -13.428 3.559 1.00 1.92 H new ATOM 0 HB3 PHE A 84 1.600 -12.806 3.918 1.00 1.92 H new ATOM 0 HD1 PHE A 84 3.179 -13.768 1.572 1.00 2.13 H new ATOM 0 HD2 PHE A 84 -0.783 -12.125 1.783 1.00 2.03 H new ATOM 0 HE1 PHE A 84 3.381 -12.966 -0.763 1.00 2.06 H new ATOM 0 HE2 PHE A 84 -0.571 -11.315 -0.543 1.00 2.03 H new ATOM 0 HZ PHE A 84 1.507 -11.738 -1.816 1.00 1.75 H new ATOM 1071 N ARG A 85 1.041 -15.417 5.708 1.00 2.25 N ATOM 1072 CA ARG A 85 1.379 -15.721 7.130 1.00 2.37 C ATOM 1073 C ARG A 85 2.204 -17.006 7.172 1.00 2.54 C ATOM 1074 O ARG A 85 3.176 -17.111 7.895 1.00 2.62 O ATOM 1075 CB ARG A 85 0.035 -15.915 7.836 1.00 2.44 C ATOM 1076 CG ARG A 85 0.239 -15.850 9.351 1.00 2.52 C ATOM 1077 CD ARG A 85 0.507 -17.256 9.893 1.00 2.79 C ATOM 1078 NE ARG A 85 0.748 -17.067 11.351 1.00 3.23 N ATOM 1079 CZ ARG A 85 0.668 -18.085 12.163 1.00 3.78 C ATOM 1080 NH1 ARG A 85 -0.497 -18.483 12.598 1.00 4.24 N ATOM 1081 NH2 ARG A 85 1.752 -18.707 12.539 1.00 4.28 N ATOM 0 H ARG A 85 0.044 -15.414 5.491 1.00 2.25 H new ATOM 0 HA ARG A 85 1.961 -14.933 7.608 1.00 2.37 H new ATOM 0 HB2 ARG A 85 -0.668 -15.144 7.520 1.00 2.44 H new ATOM 0 HB3 ARG A 85 -0.398 -16.876 7.558 1.00 2.44 H new ATOM 0 HG2 ARG A 85 1.075 -15.192 9.588 1.00 2.52 H new ATOM 0 HG3 ARG A 85 -0.644 -15.427 9.829 1.00 2.52 H new ATOM 0 HD2 ARG A 85 -0.342 -17.916 9.716 1.00 2.79 H new ATOM 0 HD3 ARG A 85 1.370 -17.709 9.406 1.00 2.79 H new ATOM 0 HE ARG A 85 0.976 -16.142 11.714 1.00 3.23 H new ATOM 0 HH11 ARG A 85 -1.344 -17.998 12.303 1.00 4.24 H new ATOM 0 HH12 ARG A 85 -0.560 -19.279 13.233 1.00 4.24 H new ATOM 0 HH21 ARG A 85 2.662 -18.397 12.198 1.00 4.28 H new ATOM 0 HH22 ARG A 85 1.689 -19.503 13.174 1.00 4.28 H new ATOM 1095 N LYS A 86 1.829 -17.976 6.376 1.00 2.62 N ATOM 1096 CA LYS A 86 2.599 -19.253 6.335 1.00 2.80 C ATOM 1097 C LYS A 86 3.936 -19.003 5.634 1.00 2.77 C ATOM 1098 O LYS A 86 4.936 -19.624 5.941 1.00 2.89 O ATOM 1099 CB LYS A 86 1.733 -20.224 5.527 1.00 2.88 C ATOM 1100 CG LYS A 86 1.373 -21.433 6.394 1.00 3.10 C ATOM 1101 CD LYS A 86 0.295 -21.034 7.405 1.00 3.21 C ATOM 1102 CE LYS A 86 0.957 -20.580 8.709 1.00 3.36 C ATOM 1103 NZ LYS A 86 0.191 -21.262 9.789 1.00 3.68 N ATOM 0 H LYS A 86 1.022 -17.937 5.753 1.00 2.62 H new ATOM 0 HA LYS A 86 2.814 -19.652 7.326 1.00 2.80 H new ATOM 0 HB2 LYS A 86 0.826 -19.723 5.189 1.00 2.88 H new ATOM 0 HB3 LYS A 86 2.269 -20.550 4.635 1.00 2.88 H new ATOM 0 HG2 LYS A 86 1.014 -22.249 5.767 1.00 3.10 H new ATOM 0 HG3 LYS A 86 2.259 -21.797 6.915 1.00 3.10 H new ATOM 0 HD2 LYS A 86 -0.320 -20.231 6.999 1.00 3.21 H new ATOM 0 HD3 LYS A 86 -0.368 -21.877 7.596 1.00 3.21 H new ATOM 0 HE2 LYS A 86 2.010 -20.860 8.735 1.00 3.36 H new ATOM 0 HE3 LYS A 86 0.912 -19.496 8.818 1.00 3.36 H new ATOM 0 HZ1 LYS A 86 0.587 -20.999 10.714 1.00 3.68 H new ATOM 0 HZ2 LYS A 86 -0.806 -20.971 9.744 1.00 3.68 H new ATOM 0 HZ3 LYS A 86 0.257 -22.292 9.664 1.00 3.68 H new ATOM 1117 N GLU A 87 3.955 -18.080 4.704 1.00 2.62 N ATOM 1118 CA GLU A 87 5.221 -17.758 3.983 1.00 2.60 C ATOM 1119 C GLU A 87 6.163 -17.006 4.924 1.00 2.58 C ATOM 1120 O GLU A 87 7.357 -17.238 4.939 1.00 2.66 O ATOM 1121 CB GLU A 87 4.803 -16.865 2.814 1.00 2.45 C ATOM 1122 CG GLU A 87 4.380 -17.736 1.629 1.00 2.53 C ATOM 1123 CD GLU A 87 4.730 -17.023 0.321 1.00 2.55 C ATOM 1124 OE1 GLU A 87 4.367 -15.866 0.185 1.00 2.60 O ATOM 1125 OE2 GLU A 87 5.354 -17.646 -0.522 1.00 2.79 O ATOM 0 H GLU A 87 3.143 -17.535 4.414 1.00 2.62 H new ATOM 0 HA GLU A 87 5.745 -18.649 3.637 1.00 2.60 H new ATOM 0 HB2 GLU A 87 3.980 -16.217 3.114 1.00 2.45 H new ATOM 0 HB3 GLU A 87 5.630 -16.216 2.525 1.00 2.45 H new ATOM 0 HG2 GLU A 87 4.884 -18.701 1.675 1.00 2.53 H new ATOM 0 HG3 GLU A 87 3.309 -17.933 1.673 1.00 2.53 H new ATOM 1132 N ILE A 88 5.626 -16.114 5.720 1.00 2.47 N ATOM 1133 CA ILE A 88 6.479 -15.353 6.677 1.00 2.46 C ATOM 1134 C ILE A 88 6.973 -16.309 7.767 1.00 2.65 C ATOM 1135 O ILE A 88 8.128 -16.285 8.150 1.00 2.73 O ATOM 1136 CB ILE A 88 5.567 -14.231 7.225 1.00 2.32 C ATOM 1137 CG1 ILE A 88 6.353 -12.914 7.262 1.00 2.23 C ATOM 1138 CG2 ILE A 88 5.052 -14.553 8.638 1.00 2.43 C ATOM 1139 CD1 ILE A 88 5.604 -11.848 6.458 1.00 2.09 C ATOM 0 H ILE A 88 4.633 -15.882 5.746 1.00 2.47 H new ATOM 0 HA ILE A 88 7.371 -14.918 6.226 1.00 2.46 H new ATOM 0 HB ILE A 88 4.705 -14.145 6.564 1.00 2.32 H new ATOM 0 HG12 ILE A 88 6.481 -12.584 8.293 1.00 2.23 H new ATOM 0 HG13 ILE A 88 7.351 -13.062 6.849 1.00 2.23 H new ATOM 0 HG21 ILE A 88 4.415 -13.740 8.987 1.00 2.43 H new ATOM 0 HG22 ILE A 88 4.478 -15.479 8.614 1.00 2.43 H new ATOM 0 HG23 ILE A 88 5.898 -14.668 9.316 1.00 2.43 H new ATOM 0 HD11 ILE A 88 6.163 -10.913 6.485 1.00 2.09 H new ATOM 0 HD12 ILE A 88 5.499 -12.179 5.425 1.00 2.09 H new ATOM 0 HD13 ILE A 88 4.616 -11.693 6.891 1.00 2.09 H new ATOM 1151 N GLY A 89 6.105 -17.168 8.247 1.00 2.75 N ATOM 1152 CA GLY A 89 6.521 -18.151 9.290 1.00 2.94 C ATOM 1153 C GLY A 89 7.628 -19.022 8.703 1.00 3.05 C ATOM 1154 O GLY A 89 8.555 -19.422 9.384 1.00 3.18 O ATOM 0 H GLY A 89 5.128 -17.229 7.960 1.00 2.75 H new ATOM 0 HA2 GLY A 89 6.876 -17.634 10.181 1.00 2.94 H new ATOM 0 HA3 GLY A 89 5.674 -18.765 9.594 1.00 2.94 H new ATOM 1158 N ARG A 90 7.543 -19.296 7.426 1.00 3.02 N ATOM 1159 CA ARG A 90 8.592 -20.115 6.763 1.00 3.14 C ATOM 1160 C ARG A 90 9.887 -19.308 6.703 1.00 3.11 C ATOM 1161 O ARG A 90 10.968 -19.842 6.876 1.00 3.24 O ATOM 1162 CB ARG A 90 8.067 -20.382 5.352 1.00 3.10 C ATOM 1163 CG ARG A 90 7.221 -21.656 5.345 1.00 3.22 C ATOM 1164 CD ARG A 90 6.643 -21.869 3.944 1.00 3.20 C ATOM 1165 NE ARG A 90 5.975 -23.199 3.995 1.00 3.37 N ATOM 1166 CZ ARG A 90 5.200 -23.577 3.015 1.00 3.44 C ATOM 1167 NH1 ARG A 90 4.017 -23.044 2.877 1.00 3.61 N ATOM 1168 NH2 ARG A 90 5.607 -24.487 2.173 1.00 3.61 N ATOM 0 H ARG A 90 6.788 -18.985 6.815 1.00 3.02 H new ATOM 0 HA ARG A 90 8.798 -21.045 7.293 1.00 3.14 H new ATOM 0 HB2 ARG A 90 7.470 -19.536 5.010 1.00 3.10 H new ATOM 0 HB3 ARG A 90 8.901 -20.485 4.657 1.00 3.10 H new ATOM 0 HG2 ARG A 90 7.830 -22.513 5.634 1.00 3.22 H new ATOM 0 HG3 ARG A 90 6.416 -21.576 6.075 1.00 3.22 H new ATOM 0 HD2 ARG A 90 5.934 -21.082 3.687 1.00 3.20 H new ATOM 0 HD3 ARG A 90 7.428 -21.851 3.187 1.00 3.20 H new ATOM 0 HE ARG A 90 6.123 -23.814 4.795 1.00 3.37 H new ATOM 0 HH11 ARG A 90 3.698 -22.332 3.535 1.00 3.61 H new ATOM 0 HH12 ARG A 90 3.411 -23.339 2.111 1.00 3.61 H new ATOM 0 HH21 ARG A 90 6.532 -24.904 2.280 1.00 3.61 H new ATOM 0 HH22 ARG A 90 5.000 -24.781 1.408 1.00 3.61 H new ATOM 1182 N MET A 91 9.777 -18.014 6.484 1.00 2.94 N ATOM 1183 CA MET A 91 10.993 -17.150 6.428 1.00 2.92 C ATOM 1184 C MET A 91 11.736 -17.285 7.747 1.00 3.05 C ATOM 1185 O MET A 91 12.948 -17.374 7.790 1.00 3.14 O ATOM 1186 CB MET A 91 10.472 -15.723 6.235 1.00 2.72 C ATOM 1187 CG MET A 91 11.362 -14.986 5.234 1.00 2.67 C ATOM 1188 SD MET A 91 10.837 -13.258 5.116 1.00 2.46 S ATOM 1189 CE MET A 91 9.326 -13.546 4.163 1.00 2.35 C ATOM 0 H MET A 91 8.894 -17.524 6.342 1.00 2.94 H new ATOM 0 HA MET A 91 11.679 -17.422 5.626 1.00 2.92 H new ATOM 0 HB2 MET A 91 9.443 -15.746 5.875 1.00 2.72 H new ATOM 0 HB3 MET A 91 10.465 -15.195 7.189 1.00 2.72 H new ATOM 0 HG2 MET A 91 12.404 -15.040 5.550 1.00 2.67 H new ATOM 0 HG3 MET A 91 11.300 -15.463 4.256 1.00 2.67 H new ATOM 0 HE1 MET A 91 9.422 -13.085 3.180 1.00 2.35 H new ATOM 0 HE2 MET A 91 9.168 -14.618 4.047 1.00 2.35 H new ATOM 0 HE3 MET A 91 8.476 -13.108 4.687 1.00 2.35 H new ATOM 1199 N LEU A 92 10.998 -17.338 8.821 1.00 3.06 N ATOM 1200 CA LEU A 92 11.625 -17.508 10.156 1.00 3.19 C ATOM 1201 C LEU A 92 12.319 -18.856 10.191 1.00 3.38 C ATOM 1202 O LEU A 92 13.443 -18.971 10.643 1.00 3.50 O ATOM 1203 CB LEU A 92 10.469 -17.432 11.137 1.00 3.18 C ATOM 1204 CG LEU A 92 9.894 -16.027 11.050 1.00 2.99 C ATOM 1205 CD1 LEU A 92 8.394 -16.055 11.354 1.00 2.94 C ATOM 1206 CD2 LEU A 92 10.610 -15.118 12.055 1.00 3.03 C ATOM 0 H LEU A 92 9.980 -17.270 8.828 1.00 3.06 H new ATOM 0 HA LEU A 92 12.378 -16.757 10.394 1.00 3.19 H new ATOM 0 HB2 LEU A 92 9.709 -18.174 10.893 1.00 3.18 H new ATOM 0 HB3 LEU A 92 10.810 -17.646 12.150 1.00 3.18 H new ATOM 0 HG LEU A 92 10.043 -15.641 10.042 1.00 2.99 H new ATOM 0 HD11 LEU A 92 7.991 -15.044 11.289 1.00 2.94 H new ATOM 0 HD12 LEU A 92 7.888 -16.695 10.631 1.00 2.94 H new ATOM 0 HD13 LEU A 92 8.234 -16.446 12.359 1.00 2.94 H new ATOM 0 HD21 LEU A 92 10.198 -14.111 11.993 1.00 3.03 H new ATOM 0 HD22 LEU A 92 10.467 -15.507 13.063 1.00 3.03 H new ATOM 0 HD23 LEU A 92 11.675 -15.089 11.825 1.00 3.03 H new ATOM 1218 N ASN A 93 11.674 -19.867 9.660 1.00 3.42 N ATOM 1219 CA ASN A 93 12.317 -21.208 9.600 1.00 3.61 C ATOM 1220 C ASN A 93 13.666 -21.051 8.894 1.00 3.65 C ATOM 1221 O ASN A 93 14.594 -21.804 9.121 1.00 3.81 O ATOM 1222 CB ASN A 93 11.367 -22.081 8.776 1.00 3.61 C ATOM 1223 CG ASN A 93 11.127 -23.406 9.502 1.00 3.79 C ATOM 1224 OD1 ASN A 93 11.896 -24.337 9.363 1.00 3.99 O ATOM 1225 ND2 ASN A 93 10.084 -23.531 10.277 1.00 3.90 N ATOM 0 H ASN A 93 10.734 -19.817 9.268 1.00 3.42 H new ATOM 0 HA ASN A 93 12.492 -21.651 10.580 1.00 3.61 H new ATOM 0 HB2 ASN A 93 10.421 -21.562 8.623 1.00 3.61 H new ATOM 0 HB3 ASN A 93 11.792 -22.267 7.789 1.00 3.61 H new ATOM 0 HD21 ASN A 93 9.914 -24.410 10.766 1.00 3.90 H new ATOM 0 HD22 ASN A 93 9.439 -22.750 10.394 1.00 3.90 H new ATOM 1232 N ILE A 94 13.773 -20.048 8.047 1.00 3.51 N ATOM 1233 CA ILE A 94 15.059 -19.802 7.331 1.00 3.55 C ATOM 1234 C ILE A 94 15.993 -18.948 8.196 1.00 3.57 C ATOM 1235 O ILE A 94 17.192 -19.159 8.195 1.00 3.70 O ATOM 1236 CB ILE A 94 14.719 -19.043 6.038 1.00 3.40 C ATOM 1237 CG1 ILE A 94 13.384 -19.533 5.463 1.00 3.33 C ATOM 1238 CG2 ILE A 94 15.837 -19.272 5.016 1.00 3.48 C ATOM 1239 CD1 ILE A 94 13.291 -19.196 3.969 1.00 3.28 C ATOM 0 H ILE A 94 13.023 -19.394 7.825 1.00 3.51 H new ATOM 0 HA ILE A 94 15.563 -20.744 7.115 1.00 3.55 H new ATOM 0 HB ILE A 94 14.630 -17.980 6.260 1.00 3.40 H new ATOM 0 HG12 ILE A 94 13.292 -20.610 5.606 1.00 3.33 H new ATOM 0 HG13 ILE A 94 12.557 -19.068 6.000 1.00 3.33 H new ATOM 0 HG21 ILE A 94 15.604 -18.737 4.095 1.00 3.48 H new ATOM 0 HG22 ILE A 94 16.780 -18.905 5.420 1.00 3.48 H new ATOM 0 HG23 ILE A 94 15.924 -20.338 4.804 1.00 3.48 H new ATOM 0 HD11 ILE A 94 12.338 -19.550 3.575 1.00 3.28 H new ATOM 0 HD12 ILE A 94 13.361 -18.117 3.834 1.00 3.28 H new ATOM 0 HD13 ILE A 94 14.108 -19.682 3.435 1.00 3.28 H new ATOM 1251 N LEU A 95 15.476 -17.973 8.923 1.00 3.46 N ATOM 1252 CA LEU A 95 16.396 -17.125 9.751 1.00 3.50 C ATOM 1253 C LEU A 95 16.469 -17.625 11.200 1.00 3.64 C ATOM 1254 O LEU A 95 16.955 -16.929 12.073 1.00 3.68 O ATOM 1255 CB LEU A 95 15.841 -15.699 9.682 1.00 3.32 C ATOM 1256 CG LEU A 95 14.413 -15.659 10.219 1.00 3.23 C ATOM 1257 CD1 LEU A 95 14.388 -14.942 11.569 1.00 3.25 C ATOM 1258 CD2 LEU A 95 13.522 -14.904 9.227 1.00 3.03 C ATOM 0 H LEU A 95 14.485 -17.736 8.976 1.00 3.46 H new ATOM 0 HA LEU A 95 17.416 -17.169 9.369 1.00 3.50 H new ATOM 0 HB2 LEU A 95 16.474 -15.027 10.262 1.00 3.32 H new ATOM 0 HB3 LEU A 95 15.859 -15.344 8.652 1.00 3.32 H new ATOM 0 HG LEU A 95 14.045 -16.677 10.345 1.00 3.23 H new ATOM 0 HD11 LEU A 95 13.366 -14.916 11.948 1.00 3.25 H new ATOM 0 HD12 LEU A 95 15.024 -15.475 12.276 1.00 3.25 H new ATOM 0 HD13 LEU A 95 14.756 -13.923 11.447 1.00 3.25 H new ATOM 0 HD21 LEU A 95 12.501 -14.873 9.606 1.00 3.03 H new ATOM 0 HD22 LEU A 95 13.895 -13.887 9.104 1.00 3.03 H new ATOM 0 HD23 LEU A 95 13.536 -15.414 8.264 1.00 3.03 H new ATOM 1270 N ASN A 96 16.016 -18.829 11.460 1.00 3.73 N ATOM 1271 CA ASN A 96 16.087 -19.379 12.852 1.00 3.87 C ATOM 1272 C ASN A 96 16.989 -20.616 12.887 1.00 4.06 C ATOM 1273 O ASN A 96 17.502 -20.990 13.926 1.00 4.21 O ATOM 1274 CB ASN A 96 14.656 -19.761 13.220 1.00 3.82 C ATOM 1275 CG ASN A 96 13.909 -18.521 13.710 1.00 3.69 C ATOM 1276 OD1 ASN A 96 12.695 -18.299 13.292 1.00 3.79 O flip ATOM 1277 ND2 ASN A 96 14.436 -17.746 14.484 1.00 3.57 N flip ATOM 0 H ASN A 96 15.601 -19.454 10.769 1.00 3.73 H new ATOM 0 HA ASN A 96 16.503 -18.653 13.551 1.00 3.87 H new ATOM 0 HB2 ASN A 96 14.148 -20.187 12.355 1.00 3.82 H new ATOM 0 HB3 ASN A 96 14.660 -20.527 13.996 1.00 3.82 H new ATOM 0 HD21 ASN A 96 15.386 -17.919 14.811 1.00 3.57 H new ATOM 0 HD22 ASN A 96 13.928 -16.922 14.806 1.00 3.57 H new ATOM 1738 N PRO B 43 11.982 0.570 12.000 1.00 2.38 N ATOM 1739 CA PRO B 43 11.158 -0.492 11.392 1.00 2.23 C ATOM 1740 C PRO B 43 12.041 -1.650 10.912 1.00 2.26 C ATOM 1741 O PRO B 43 11.750 -2.804 11.157 1.00 2.28 O ATOM 1742 CB PRO B 43 10.498 0.213 10.214 1.00 2.07 C ATOM 1743 CG PRO B 43 11.409 1.353 9.856 1.00 2.15 C ATOM 1744 CD PRO B 43 12.343 1.598 11.020 1.00 2.35 C ATOM 0 HA PRO B 43 10.439 -0.931 12.084 1.00 2.23 H new ATOM 0 HB2 PRO B 43 10.373 -0.467 9.371 1.00 2.07 H new ATOM 0 HB3 PRO B 43 9.505 0.575 10.481 1.00 2.07 H new ATOM 0 HG2 PRO B 43 11.977 1.117 8.956 1.00 2.15 H new ATOM 0 HG3 PRO B 43 10.828 2.250 9.640 1.00 2.15 H new ATOM 0 HD2 PRO B 43 13.386 1.510 10.718 1.00 2.35 H new ATOM 0 HD3 PRO B 43 12.214 2.600 11.429 1.00 2.35 H new ATOM 1752 N LEU B 44 13.113 -1.341 10.220 1.00 2.29 N ATOM 1753 CA LEU B 44 14.032 -2.405 9.701 1.00 2.37 C ATOM 1754 C LEU B 44 13.265 -3.413 8.838 1.00 2.24 C ATOM 1755 O LEU B 44 13.738 -4.504 8.581 1.00 2.34 O ATOM 1756 CB LEU B 44 14.615 -3.095 10.937 1.00 2.55 C ATOM 1757 CG LEU B 44 15.744 -4.039 10.504 1.00 2.70 C ATOM 1758 CD1 LEU B 44 17.010 -3.732 11.306 1.00 2.93 C ATOM 1759 CD2 LEU B 44 15.328 -5.494 10.748 1.00 2.74 C ATOM 0 H LEU B 44 13.393 -0.387 9.991 1.00 2.29 H new ATOM 0 HA LEU B 44 14.814 -1.980 9.071 1.00 2.37 H new ATOM 0 HB2 LEU B 44 14.995 -2.352 11.637 1.00 2.55 H new ATOM 0 HB3 LEU B 44 13.837 -3.654 11.457 1.00 2.55 H new ATOM 0 HG LEU B 44 15.942 -3.893 9.442 1.00 2.70 H new ATOM 0 HD11 LEU B 44 17.809 -4.405 10.995 1.00 2.93 H new ATOM 0 HD12 LEU B 44 17.313 -2.701 11.126 1.00 2.93 H new ATOM 0 HD13 LEU B 44 16.810 -3.872 12.368 1.00 2.93 H new ATOM 0 HD21 LEU B 44 16.134 -6.160 10.439 1.00 2.74 H new ATOM 0 HD22 LEU B 44 15.123 -5.641 11.808 1.00 2.74 H new ATOM 0 HD23 LEU B 44 14.431 -5.718 10.171 1.00 2.74 H new ATOM 1771 N LYS B 45 12.095 -3.056 8.379 1.00 2.06 N ATOM 1772 CA LYS B 45 11.310 -3.994 7.525 1.00 1.94 C ATOM 1773 C LYS B 45 11.690 -3.794 6.057 1.00 1.87 C ATOM 1774 O LYS B 45 11.664 -4.717 5.277 1.00 1.87 O ATOM 1775 CB LYS B 45 9.841 -3.635 7.773 1.00 1.81 C ATOM 1776 CG LYS B 45 9.551 -2.225 7.250 1.00 1.74 C ATOM 1777 CD LYS B 45 8.066 -1.903 7.430 1.00 1.66 C ATOM 1778 CE LYS B 45 7.694 -1.987 8.914 1.00 1.75 C ATOM 1779 NZ LYS B 45 6.259 -1.595 8.973 1.00 1.72 N ATOM 0 H LYS B 45 11.649 -2.156 8.558 1.00 2.06 H new ATOM 0 HA LYS B 45 11.504 -5.040 7.762 1.00 1.94 H new ATOM 0 HB2 LYS B 45 9.193 -4.357 7.276 1.00 1.81 H new ATOM 0 HB3 LYS B 45 9.620 -3.689 8.839 1.00 1.81 H new ATOM 0 HG2 LYS B 45 10.159 -1.496 7.786 1.00 1.74 H new ATOM 0 HG3 LYS B 45 9.823 -2.154 6.197 1.00 1.74 H new ATOM 0 HD2 LYS B 45 7.852 -0.905 7.048 1.00 1.66 H new ATOM 0 HD3 LYS B 45 7.460 -2.602 6.853 1.00 1.66 H new ATOM 0 HE2 LYS B 45 7.844 -2.994 9.302 1.00 1.75 H new ATOM 0 HE3 LYS B 45 8.311 -1.318 9.514 1.00 1.75 H new ATOM 0 HZ1 LYS B 45 6.116 -0.916 9.747 1.00 1.72 H new ATOM 0 HZ2 LYS B 45 5.982 -1.156 8.072 1.00 1.72 H new ATOM 0 HZ3 LYS B 45 5.675 -2.439 9.141 1.00 1.72 H new ATOM 1793 N LEU B 46 12.043 -2.585 5.693 1.00 1.86 N ATOM 1794 CA LEU B 46 12.442 -2.271 4.279 1.00 1.83 C ATOM 1795 C LEU B 46 13.209 -3.438 3.626 1.00 1.93 C ATOM 1796 O LEU B 46 12.981 -3.775 2.476 1.00 1.87 O ATOM 1797 CB LEU B 46 13.366 -1.050 4.411 1.00 1.94 C ATOM 1798 CG LEU B 46 12.824 0.127 3.591 1.00 1.87 C ATOM 1799 CD1 LEU B 46 12.684 -0.277 2.120 1.00 2.28 C ATOM 1800 CD2 LEU B 46 11.461 0.549 4.145 1.00 1.91 C ATOM 0 H LEU B 46 12.073 -1.786 6.326 1.00 1.86 H new ATOM 0 HA LEU B 46 11.571 -2.092 3.648 1.00 1.83 H new ATOM 0 HB2 LEU B 46 13.450 -0.762 5.459 1.00 1.94 H new ATOM 0 HB3 LEU B 46 14.369 -1.307 4.070 1.00 1.94 H new ATOM 0 HG LEU B 46 13.520 0.963 3.661 1.00 1.87 H new ATOM 0 HD11 LEU B 46 12.298 0.566 1.546 1.00 2.28 H new ATOM 0 HD12 LEU B 46 13.659 -0.567 1.728 1.00 2.28 H new ATOM 0 HD13 LEU B 46 11.995 -1.118 2.038 1.00 2.28 H new ATOM 0 HD21 LEU B 46 11.075 1.386 3.563 1.00 1.91 H new ATOM 0 HD22 LEU B 46 10.767 -0.289 4.081 1.00 1.91 H new ATOM 0 HD23 LEU B 46 11.569 0.851 5.187 1.00 1.91 H new ATOM 1812 N PHE B 47 14.106 -4.058 4.356 1.00 2.09 N ATOM 1813 CA PHE B 47 14.890 -5.196 3.791 1.00 2.21 C ATOM 1814 C PHE B 47 14.021 -6.450 3.776 1.00 2.16 C ATOM 1815 O PHE B 47 13.965 -7.173 2.799 1.00 2.16 O ATOM 1816 CB PHE B 47 16.085 -5.352 4.744 1.00 2.40 C ATOM 1817 CG PHE B 47 16.643 -6.757 4.672 1.00 2.53 C ATOM 1818 CD1 PHE B 47 17.001 -7.310 3.437 1.00 2.57 C ATOM 1819 CD2 PHE B 47 16.800 -7.505 5.845 1.00 2.65 C ATOM 1820 CE1 PHE B 47 17.516 -8.611 3.376 1.00 2.72 C ATOM 1821 CE2 PHE B 47 17.314 -8.805 5.784 1.00 2.79 C ATOM 1822 CZ PHE B 47 17.673 -9.358 4.549 1.00 2.82 C ATOM 0 H PHE B 47 14.328 -3.821 5.323 1.00 2.09 H new ATOM 0 HA PHE B 47 15.219 -5.029 2.765 1.00 2.21 H new ATOM 0 HB2 PHE B 47 16.861 -4.633 4.483 1.00 2.40 H new ATOM 0 HB3 PHE B 47 15.774 -5.130 5.765 1.00 2.40 H new ATOM 0 HD1 PHE B 47 16.880 -6.734 2.532 1.00 2.57 H new ATOM 0 HD2 PHE B 47 16.524 -7.078 6.798 1.00 2.65 H new ATOM 0 HE1 PHE B 47 17.792 -9.038 2.423 1.00 2.72 H new ATOM 0 HE2 PHE B 47 17.434 -9.382 6.689 1.00 2.79 H new ATOM 0 HZ PHE B 47 18.071 -10.361 4.501 1.00 2.82 H new ATOM 1832 N MET B 48 13.342 -6.699 4.858 1.00 2.14 N ATOM 1833 CA MET B 48 12.460 -7.893 4.937 1.00 2.12 C ATOM 1834 C MET B 48 11.344 -7.792 3.896 1.00 1.95 C ATOM 1835 O MET B 48 11.117 -8.706 3.133 1.00 1.98 O ATOM 1836 CB MET B 48 11.880 -7.851 6.350 1.00 2.14 C ATOM 1837 CG MET B 48 11.918 -9.252 6.955 1.00 2.29 C ATOM 1838 SD MET B 48 13.143 -9.314 8.285 1.00 2.49 S ATOM 1839 CE MET B 48 14.565 -8.792 7.297 1.00 2.53 C ATOM 0 H MET B 48 13.361 -6.121 5.698 1.00 2.14 H new ATOM 0 HA MET B 48 12.995 -8.822 4.739 1.00 2.12 H new ATOM 0 HB2 MET B 48 12.452 -7.160 6.969 1.00 2.14 H new ATOM 0 HB3 MET B 48 10.855 -7.482 6.323 1.00 2.14 H new ATOM 0 HG2 MET B 48 10.934 -9.517 7.342 1.00 2.29 H new ATOM 0 HG3 MET B 48 12.166 -9.983 6.186 1.00 2.29 H new ATOM 0 HE1 MET B 48 15.486 -9.074 7.807 1.00 2.53 H new ATOM 0 HE2 MET B 48 14.528 -9.277 6.321 1.00 2.53 H new ATOM 0 HE3 MET B 48 14.540 -7.710 7.166 1.00 2.53 H new ATOM 1849 N ALA B 49 10.650 -6.685 3.869 1.00 1.80 N ATOM 1850 CA ALA B 49 9.539 -6.502 2.889 1.00 1.63 C ATOM 1851 C ALA B 49 10.046 -6.682 1.455 1.00 1.66 C ATOM 1852 O ALA B 49 9.448 -7.391 0.668 1.00 1.65 O ATOM 1853 CB ALA B 49 9.046 -5.069 3.106 1.00 1.50 C ATOM 0 H ALA B 49 10.807 -5.892 4.491 1.00 1.80 H new ATOM 0 HA ALA B 49 8.746 -7.235 3.034 1.00 1.63 H new ATOM 0 HB1 ALA B 49 8.226 -4.858 2.419 1.00 1.50 H new ATOM 0 HB2 ALA B 49 8.698 -4.956 4.133 1.00 1.50 H new ATOM 0 HB3 ALA B 49 9.863 -4.371 2.921 1.00 1.50 H new ATOM 1859 N LEU B 50 11.138 -6.041 1.106 1.00 1.74 N ATOM 1860 CA LEU B 50 11.667 -6.179 -0.287 1.00 1.81 C ATOM 1861 C LEU B 50 11.956 -7.649 -0.611 1.00 1.95 C ATOM 1862 O LEU B 50 11.392 -8.210 -1.535 1.00 1.94 O ATOM 1863 CB LEU B 50 12.955 -5.357 -0.318 1.00 1.92 C ATOM 1864 CG LEU B 50 13.253 -4.940 -1.760 1.00 1.94 C ATOM 1865 CD1 LEU B 50 12.149 -4.005 -2.260 1.00 1.80 C ATOM 1866 CD2 LEU B 50 14.597 -4.213 -1.812 1.00 2.09 C ATOM 0 H LEU B 50 11.680 -5.434 1.720 1.00 1.74 H new ATOM 0 HA LEU B 50 10.948 -5.830 -1.028 1.00 1.81 H new ATOM 0 HB2 LEU B 50 12.853 -4.475 0.314 1.00 1.92 H new ATOM 0 HB3 LEU B 50 13.783 -5.942 0.082 1.00 1.92 H new ATOM 0 HG LEU B 50 13.293 -5.826 -2.393 1.00 1.94 H new ATOM 0 HD11 LEU B 50 12.361 -3.708 -3.287 1.00 1.80 H new ATOM 0 HD12 LEU B 50 11.190 -4.522 -2.222 1.00 1.80 H new ATOM 0 HD13 LEU B 50 12.109 -3.119 -1.627 1.00 1.80 H new ATOM 0 HD21 LEU B 50 14.810 -3.916 -2.839 1.00 2.09 H new ATOM 0 HD22 LEU B 50 14.556 -3.327 -1.179 1.00 2.09 H new ATOM 0 HD23 LEU B 50 15.384 -4.878 -1.456 1.00 2.09 H new ATOM 1878 N VAL B 51 12.826 -8.279 0.141 1.00 2.09 N ATOM 1879 CA VAL B 51 13.146 -9.708 -0.126 1.00 2.24 C ATOM 1880 C VAL B 51 11.883 -10.560 0.032 1.00 2.18 C ATOM 1881 O VAL B 51 11.702 -11.541 -0.661 1.00 2.26 O ATOM 1882 CB VAL B 51 14.204 -10.081 0.914 1.00 2.38 C ATOM 1883 CG1 VAL B 51 14.596 -11.542 0.735 1.00 2.54 C ATOM 1884 CG2 VAL B 51 15.441 -9.200 0.722 1.00 2.47 C ATOM 0 H VAL B 51 13.326 -7.862 0.926 1.00 2.09 H new ATOM 0 HA VAL B 51 13.512 -9.876 -1.139 1.00 2.24 H new ATOM 0 HB VAL B 51 13.799 -9.929 1.914 1.00 2.38 H new ATOM 0 HG11 VAL B 51 15.350 -11.810 1.475 1.00 2.54 H new ATOM 0 HG12 VAL B 51 13.717 -12.173 0.867 1.00 2.54 H new ATOM 0 HG13 VAL B 51 15.002 -11.690 -0.266 1.00 2.54 H new ATOM 0 HG21 VAL B 51 16.195 -9.465 1.463 1.00 2.47 H new ATOM 0 HG22 VAL B 51 15.845 -9.354 -0.279 1.00 2.47 H new ATOM 0 HG23 VAL B 51 15.164 -8.153 0.845 1.00 2.47 H new ATOM 1894 N ALA B 52 11.003 -10.180 0.926 1.00 2.06 N ATOM 1895 CA ALA B 52 9.740 -10.958 1.117 1.00 2.03 C ATOM 1896 C ALA B 52 8.906 -10.887 -0.160 1.00 1.94 C ATOM 1897 O ALA B 52 8.471 -11.896 -0.682 1.00 2.02 O ATOM 1898 CB ALA B 52 9.009 -10.275 2.273 1.00 1.92 C ATOM 0 H ALA B 52 11.105 -9.365 1.531 1.00 2.06 H new ATOM 0 HA ALA B 52 9.927 -12.010 1.333 1.00 2.03 H new ATOM 0 HB1 ALA B 52 8.071 -10.795 2.468 1.00 1.92 H new ATOM 0 HB2 ALA B 52 9.633 -10.305 3.166 1.00 1.92 H new ATOM 0 HB3 ALA B 52 8.801 -9.238 2.010 1.00 1.92 H new ATOM 1904 N PHE B 53 8.701 -9.695 -0.674 1.00 1.80 N ATOM 1905 CA PHE B 53 7.916 -9.534 -1.937 1.00 1.74 C ATOM 1906 C PHE B 53 8.484 -10.477 -3.000 1.00 1.90 C ATOM 1907 O PHE B 53 7.794 -11.335 -3.526 1.00 1.96 O ATOM 1908 CB PHE B 53 8.118 -8.068 -2.337 1.00 1.62 C ATOM 1909 CG PHE B 53 7.485 -7.809 -3.684 1.00 1.59 C ATOM 1910 CD1 PHE B 53 6.144 -8.144 -3.906 1.00 1.52 C ATOM 1911 CD2 PHE B 53 8.241 -7.233 -4.711 1.00 1.68 C ATOM 1912 CE1 PHE B 53 5.560 -7.902 -5.155 1.00 1.53 C ATOM 1913 CE2 PHE B 53 7.658 -6.992 -5.960 1.00 1.69 C ATOM 1914 CZ PHE B 53 6.318 -7.327 -6.182 1.00 1.61 C ATOM 0 H PHE B 53 9.046 -8.825 -0.269 1.00 1.80 H new ATOM 0 HA PHE B 53 6.859 -9.773 -1.823 1.00 1.74 H new ATOM 0 HB2 PHE B 53 7.676 -7.413 -1.586 1.00 1.62 H new ATOM 0 HB3 PHE B 53 9.182 -7.836 -2.375 1.00 1.62 H new ATOM 0 HD1 PHE B 53 5.560 -8.589 -3.114 1.00 1.52 H new ATOM 0 HD2 PHE B 53 9.275 -6.974 -4.539 1.00 1.68 H new ATOM 0 HE1 PHE B 53 4.525 -8.159 -5.326 1.00 1.53 H new ATOM 0 HE2 PHE B 53 8.242 -6.548 -6.752 1.00 1.69 H new ATOM 0 HZ PHE B 53 5.868 -7.142 -7.146 1.00 1.61 H new ATOM 1924 N LEU B 54 9.752 -10.345 -3.291 1.00 2.01 N ATOM 1925 CA LEU B 54 10.379 -11.253 -4.290 1.00 2.19 C ATOM 1926 C LEU B 54 10.226 -12.700 -3.811 1.00 2.30 C ATOM 1927 O LEU B 54 9.984 -13.599 -4.591 1.00 2.41 O ATOM 1928 CB LEU B 54 11.854 -10.841 -4.337 1.00 2.28 C ATOM 1929 CG LEU B 54 12.049 -9.707 -5.351 1.00 2.26 C ATOM 1930 CD1 LEU B 54 11.647 -10.188 -6.747 1.00 2.52 C ATOM 1931 CD2 LEU B 54 11.182 -8.509 -4.956 1.00 2.31 C ATOM 0 H LEU B 54 10.376 -9.650 -2.881 1.00 2.01 H new ATOM 0 HA LEU B 54 9.922 -11.185 -5.277 1.00 2.19 H new ATOM 0 HB2 LEU B 54 12.181 -10.517 -3.349 1.00 2.28 H new ATOM 0 HB3 LEU B 54 12.471 -11.697 -4.613 1.00 2.28 H new ATOM 0 HG LEU B 54 13.098 -9.410 -5.359 1.00 2.26 H new ATOM 0 HD11 LEU B 54 11.787 -9.380 -7.465 1.00 2.52 H new ATOM 0 HD12 LEU B 54 12.268 -11.038 -7.032 1.00 2.52 H new ATOM 0 HD13 LEU B 54 10.600 -10.490 -6.740 1.00 2.52 H new ATOM 0 HD21 LEU B 54 11.322 -7.705 -5.678 1.00 2.31 H new ATOM 0 HD22 LEU B 54 10.134 -8.807 -4.944 1.00 2.31 H new ATOM 0 HD23 LEU B 54 11.472 -8.161 -3.964 1.00 2.31 H new ATOM 1943 N ARG B 55 10.342 -12.920 -2.522 1.00 2.30 N ATOM 1944 CA ARG B 55 10.186 -14.301 -1.970 1.00 2.44 C ATOM 1945 C ARG B 55 8.722 -14.749 -2.052 1.00 2.38 C ATOM 1946 O ARG B 55 8.400 -15.894 -1.796 1.00 2.50 O ATOM 1947 CB ARG B 55 10.641 -14.211 -0.512 1.00 2.45 C ATOM 1948 CG ARG B 55 10.666 -15.612 0.106 1.00 2.61 C ATOM 1949 CD ARG B 55 9.456 -15.792 1.026 1.00 2.57 C ATOM 1950 NE ARG B 55 9.457 -17.239 1.380 1.00 2.77 N ATOM 1951 CZ ARG B 55 8.423 -17.983 1.093 1.00 2.77 C ATOM 1952 NH1 ARG B 55 8.018 -18.087 -0.143 1.00 2.83 N ATOM 1953 NH2 ARG B 55 7.796 -18.623 2.041 1.00 2.85 N ATOM 0 H ARG B 55 10.539 -12.199 -1.828 1.00 2.30 H new ATOM 0 HA ARG B 55 10.771 -15.030 -2.531 1.00 2.44 H new ATOM 0 HB2 ARG B 55 11.632 -13.761 -0.457 1.00 2.45 H new ATOM 0 HB3 ARG B 55 9.966 -13.566 0.051 1.00 2.45 H new ATOM 0 HG2 ARG B 55 10.653 -16.367 -0.680 1.00 2.61 H new ATOM 0 HG3 ARG B 55 11.588 -15.755 0.670 1.00 2.61 H new ATOM 0 HD2 ARG B 55 9.539 -15.167 1.915 1.00 2.57 H new ATOM 0 HD3 ARG B 55 8.531 -15.509 0.523 1.00 2.57 H new ATOM 0 HE ARG B 55 10.266 -17.649 1.847 1.00 2.77 H new ATOM 0 HH11 ARG B 55 8.509 -17.587 -0.884 1.00 2.83 H new ATOM 0 HH12 ARG B 55 7.210 -18.668 -0.368 1.00 2.83 H new ATOM 0 HH21 ARG B 55 8.113 -18.542 3.007 1.00 2.85 H new ATOM 0 HH22 ARG B 55 6.988 -19.204 1.816 1.00 2.85 H new ATOM 1967 N PHE B 56 7.832 -13.860 -2.412 1.00 2.23 N ATOM 1968 CA PHE B 56 6.396 -14.245 -2.519 1.00 2.19 C ATOM 1969 C PHE B 56 6.035 -14.525 -3.979 1.00 2.25 C ATOM 1970 O PHE B 56 5.074 -15.213 -4.262 1.00 2.30 O ATOM 1971 CB PHE B 56 5.606 -13.034 -2.015 1.00 2.00 C ATOM 1972 CG PHE B 56 5.816 -12.817 -0.525 1.00 2.00 C ATOM 1973 CD1 PHE B 56 6.516 -13.752 0.258 1.00 2.12 C ATOM 1974 CD2 PHE B 56 5.297 -11.662 0.073 1.00 2.13 C ATOM 1975 CE1 PHE B 56 6.692 -13.525 1.629 1.00 2.16 C ATOM 1976 CE2 PHE B 56 5.474 -11.438 1.444 1.00 2.33 C ATOM 1977 CZ PHE B 56 6.171 -12.369 2.221 1.00 2.24 C ATOM 0 H PHE B 56 8.039 -12.887 -2.636 1.00 2.23 H new ATOM 0 HA PHE B 56 6.176 -15.145 -1.944 1.00 2.19 H new ATOM 0 HB2 PHE B 56 5.915 -12.143 -2.561 1.00 2.00 H new ATOM 0 HB3 PHE B 56 4.545 -13.180 -2.217 1.00 2.00 H new ATOM 0 HD1 PHE B 56 6.918 -14.645 -0.198 1.00 2.12 H new ATOM 0 HD2 PHE B 56 4.759 -10.942 -0.525 1.00 2.13 H new ATOM 0 HE1 PHE B 56 7.230 -14.243 2.230 1.00 2.16 H new ATOM 0 HE2 PHE B 56 5.072 -10.546 1.902 1.00 2.33 H new ATOM 0 HZ PHE B 56 6.307 -12.196 3.278 1.00 2.24 H new ATOM 1987 N LEU B 57 6.779 -13.972 -4.909 1.00 2.25 N ATOM 1988 CA LEU B 57 6.445 -14.185 -6.354 1.00 2.33 C ATOM 1989 C LEU B 57 7.384 -15.196 -7.028 1.00 2.53 C ATOM 1990 O LEU B 57 6.948 -16.001 -7.829 1.00 2.65 O ATOM 1991 CB LEU B 57 6.595 -12.805 -7.003 1.00 2.21 C ATOM 1992 CG LEU B 57 5.921 -11.738 -6.130 1.00 2.01 C ATOM 1993 CD1 LEU B 57 5.992 -10.378 -6.830 1.00 1.92 C ATOM 1994 CD2 LEU B 57 4.455 -12.116 -5.883 1.00 1.97 C ATOM 0 H LEU B 57 7.596 -13.387 -4.732 1.00 2.25 H new ATOM 0 HA LEU B 57 5.442 -14.598 -6.464 1.00 2.33 H new ATOM 0 HB2 LEU B 57 7.651 -12.567 -7.132 1.00 2.21 H new ATOM 0 HB3 LEU B 57 6.146 -12.811 -7.996 1.00 2.21 H new ATOM 0 HG LEU B 57 6.441 -11.679 -5.174 1.00 2.01 H new ATOM 0 HD11 LEU B 57 5.512 -9.623 -6.207 1.00 1.92 H new ATOM 0 HD12 LEU B 57 7.035 -10.106 -6.992 1.00 1.92 H new ATOM 0 HD13 LEU B 57 5.479 -10.436 -7.790 1.00 1.92 H new ATOM 0 HD21 LEU B 57 3.982 -11.354 -5.263 1.00 1.97 H new ATOM 0 HD22 LEU B 57 3.931 -12.184 -6.836 1.00 1.97 H new ATOM 0 HD23 LEU B 57 4.408 -13.079 -5.374 1.00 1.97 H new ATOM 2006 N THR B 58 8.664 -15.151 -6.744 1.00 2.59 N ATOM 2007 CA THR B 58 9.604 -16.107 -7.415 1.00 2.79 C ATOM 2008 C THR B 58 10.734 -16.564 -6.478 1.00 2.87 C ATOM 2009 O THR B 58 11.494 -17.453 -6.814 1.00 3.04 O ATOM 2010 CB THR B 58 10.176 -15.309 -8.586 1.00 2.81 C ATOM 2011 OG1 THR B 58 9.117 -14.899 -9.439 1.00 2.76 O ATOM 2012 CG2 THR B 58 11.156 -16.179 -9.369 1.00 3.02 C ATOM 0 H THR B 58 9.095 -14.503 -6.085 1.00 2.59 H new ATOM 0 HA THR B 58 9.094 -17.020 -7.723 1.00 2.79 H new ATOM 0 HB THR B 58 10.698 -14.431 -8.206 1.00 2.81 H new ATOM 0 HG1 THR B 58 9.482 -14.386 -10.190 1.00 2.76 H new ATOM 0 HG21 THR B 58 11.563 -15.608 -10.204 1.00 3.02 H new ATOM 0 HG22 THR B 58 11.969 -16.492 -8.713 1.00 3.02 H new ATOM 0 HG23 THR B 58 10.637 -17.059 -9.750 1.00 3.02 H new ATOM 2020 N ILE B 59 10.849 -15.970 -5.319 1.00 2.76 N ATOM 2021 CA ILE B 59 11.926 -16.363 -4.357 1.00 2.85 C ATOM 2022 C ILE B 59 13.317 -16.339 -5.019 1.00 2.98 C ATOM 2023 O ILE B 59 14.004 -17.342 -5.053 1.00 3.15 O ATOM 2024 CB ILE B 59 11.557 -17.778 -3.900 1.00 2.97 C ATOM 2025 CG1 ILE B 59 10.202 -17.746 -3.191 1.00 2.86 C ATOM 2026 CG2 ILE B 59 12.623 -18.298 -2.927 1.00 3.08 C ATOM 2027 CD1 ILE B 59 9.076 -17.831 -4.224 1.00 2.85 C ATOM 0 H ILE B 59 10.237 -15.222 -4.993 1.00 2.76 H new ATOM 0 HA ILE B 59 11.988 -15.666 -3.521 1.00 2.85 H new ATOM 0 HB ILE B 59 11.503 -18.435 -4.768 1.00 2.97 H new ATOM 0 HG12 ILE B 59 10.128 -18.577 -2.490 1.00 2.86 H new ATOM 0 HG13 ILE B 59 10.107 -16.829 -2.610 1.00 2.86 H new ATOM 0 HG21 ILE B 59 12.359 -19.305 -2.603 1.00 3.08 H new ATOM 0 HG22 ILE B 59 13.592 -18.320 -3.426 1.00 3.08 H new ATOM 0 HG23 ILE B 59 12.676 -17.640 -2.060 1.00 3.08 H new ATOM 0 HD11 ILE B 59 8.113 -17.808 -3.715 1.00 2.85 H new ATOM 0 HD12 ILE B 59 9.145 -16.985 -4.908 1.00 2.85 H new ATOM 0 HD13 ILE B 59 9.167 -18.761 -4.786 1.00 2.85 H new ATOM 2039 N PRO B 60 13.697 -15.181 -5.507 1.00 2.91 N ATOM 2040 CA PRO B 60 15.016 -14.985 -6.130 1.00 3.04 C ATOM 2041 C PRO B 60 15.940 -14.209 -5.162 1.00 3.02 C ATOM 2042 O PRO B 60 16.320 -13.089 -5.454 1.00 2.98 O ATOM 2043 CB PRO B 60 14.655 -14.100 -7.324 1.00 2.98 C ATOM 2044 CG PRO B 60 13.392 -13.375 -6.912 1.00 2.78 C ATOM 2045 CD PRO B 60 12.946 -13.942 -5.580 1.00 2.73 C ATOM 0 HA PRO B 60 15.536 -15.906 -6.391 1.00 3.04 H new ATOM 0 HB2 PRO B 60 15.457 -13.397 -7.550 1.00 2.98 H new ATOM 0 HB3 PRO B 60 14.492 -14.697 -8.221 1.00 2.98 H new ATOM 0 HG2 PRO B 60 13.576 -12.304 -6.829 1.00 2.78 H new ATOM 0 HG3 PRO B 60 12.613 -13.507 -7.663 1.00 2.78 H new ATOM 0 HD2 PRO B 60 13.183 -13.273 -4.753 1.00 2.73 H new ATOM 0 HD3 PRO B 60 11.870 -14.116 -5.551 1.00 2.73 H new ATOM 2053 N PRO B 61 16.264 -14.800 -4.030 1.00 3.06 N ATOM 2054 CA PRO B 61 17.126 -14.101 -3.045 1.00 3.07 C ATOM 2055 C PRO B 61 18.548 -13.959 -3.585 1.00 3.22 C ATOM 2056 O PRO B 61 19.259 -14.932 -3.752 1.00 3.39 O ATOM 2057 CB PRO B 61 17.093 -15.003 -1.818 1.00 3.12 C ATOM 2058 CG PRO B 61 16.763 -16.354 -2.352 1.00 3.21 C ATOM 2059 CD PRO B 61 15.888 -16.139 -3.559 1.00 3.14 C ATOM 0 HA PRO B 61 16.784 -13.090 -2.824 1.00 3.07 H new ATOM 0 HB2 PRO B 61 18.053 -15.005 -1.302 1.00 3.12 H new ATOM 0 HB3 PRO B 61 16.345 -14.667 -1.100 1.00 3.12 H new ATOM 0 HG2 PRO B 61 17.669 -16.896 -2.622 1.00 3.21 H new ATOM 0 HG3 PRO B 61 16.247 -16.952 -1.601 1.00 3.21 H new ATOM 0 HD2 PRO B 61 16.066 -16.896 -4.322 1.00 3.14 H new ATOM 0 HD3 PRO B 61 14.830 -16.190 -3.301 1.00 3.14 H new ATOM 2067 N THR B 62 18.963 -12.749 -3.857 1.00 3.19 N ATOM 2068 CA THR B 62 20.341 -12.523 -4.387 1.00 3.35 C ATOM 2069 C THR B 62 21.374 -13.102 -3.406 1.00 3.48 C ATOM 2070 O THR B 62 21.054 -13.417 -2.276 1.00 3.43 O ATOM 2071 CB THR B 62 20.457 -10.992 -4.533 1.00 3.28 C ATOM 2072 OG1 THR B 62 20.722 -10.674 -5.891 1.00 3.38 O ATOM 2073 CG2 THR B 62 21.585 -10.440 -3.659 1.00 3.34 C ATOM 0 H THR B 62 18.405 -11.904 -3.734 1.00 3.19 H new ATOM 0 HA THR B 62 20.528 -13.017 -5.341 1.00 3.35 H new ATOM 0 HB THR B 62 19.518 -10.541 -4.212 1.00 3.28 H new ATOM 0 HG1 THR B 62 20.795 -9.702 -5.991 1.00 3.38 H new ATOM 0 HG21 THR B 62 21.644 -9.359 -3.782 1.00 3.34 H new ATOM 0 HG22 THR B 62 21.384 -10.676 -2.614 1.00 3.34 H new ATOM 0 HG23 THR B 62 22.531 -10.891 -3.958 1.00 3.34 H new ATOM 2081 N ALA B 63 22.603 -13.254 -3.841 1.00 3.64 N ATOM 2082 CA ALA B 63 23.668 -13.825 -2.953 1.00 3.79 C ATOM 2083 C ALA B 63 23.712 -13.097 -1.605 1.00 3.72 C ATOM 2084 O ALA B 63 23.781 -13.716 -0.559 1.00 3.76 O ATOM 2085 CB ALA B 63 24.976 -13.608 -3.715 1.00 3.95 C ATOM 0 H ALA B 63 22.916 -13.005 -4.779 1.00 3.64 H new ATOM 0 HA ALA B 63 23.485 -14.876 -2.731 1.00 3.79 H new ATOM 0 HB1 ALA B 63 25.808 -14.000 -3.130 1.00 3.95 H new ATOM 0 HB2 ALA B 63 24.930 -14.127 -4.672 1.00 3.95 H new ATOM 0 HB3 ALA B 63 25.124 -12.542 -3.887 1.00 3.95 H new ATOM 2091 N GLY B 64 23.683 -11.791 -1.628 1.00 3.63 N ATOM 2092 CA GLY B 64 23.734 -11.003 -0.361 1.00 3.58 C ATOM 2093 C GLY B 64 22.605 -11.424 0.584 1.00 3.46 C ATOM 2094 O GLY B 64 22.819 -11.599 1.762 1.00 3.50 O ATOM 0 H GLY B 64 23.626 -11.231 -2.479 1.00 3.63 H new ATOM 0 HA2 GLY B 64 24.697 -11.151 0.127 1.00 3.58 H new ATOM 0 HA3 GLY B 64 23.650 -9.939 -0.585 1.00 3.58 H new ATOM 2098 N ILE B 65 21.408 -11.579 0.079 1.00 3.32 N ATOM 2099 CA ILE B 65 20.256 -11.981 0.949 1.00 3.21 C ATOM 2100 C ILE B 65 20.619 -13.212 1.787 1.00 3.35 C ATOM 2101 O ILE B 65 20.250 -13.313 2.941 1.00 3.33 O ATOM 2102 CB ILE B 65 19.110 -12.307 -0.019 1.00 3.10 C ATOM 2103 CG1 ILE B 65 18.808 -11.091 -0.908 1.00 2.99 C ATOM 2104 CG2 ILE B 65 17.851 -12.679 0.774 1.00 2.99 C ATOM 2105 CD1 ILE B 65 18.677 -9.833 -0.046 1.00 2.89 C ATOM 0 H ILE B 65 21.175 -11.444 -0.905 1.00 3.32 H new ATOM 0 HA ILE B 65 19.983 -11.192 1.650 1.00 3.21 H new ATOM 0 HB ILE B 65 19.409 -13.147 -0.646 1.00 3.10 H new ATOM 0 HG12 ILE B 65 19.604 -10.959 -1.641 1.00 2.99 H new ATOM 0 HG13 ILE B 65 17.886 -11.258 -1.466 1.00 2.99 H new ATOM 0 HG21 ILE B 65 17.040 -12.910 0.083 1.00 2.99 H new ATOM 0 HG22 ILE B 65 18.057 -13.550 1.396 1.00 2.99 H new ATOM 0 HG23 ILE B 65 17.560 -11.842 1.408 1.00 2.99 H new ATOM 0 HD11 ILE B 65 18.463 -8.975 -0.684 1.00 2.89 H new ATOM 0 HD12 ILE B 65 17.865 -9.965 0.669 1.00 2.89 H new ATOM 0 HD13 ILE B 65 19.610 -9.661 0.491 1.00 2.89 H new ATOM 2117 N LEU B 66 21.344 -14.140 1.216 1.00 3.49 N ATOM 2118 CA LEU B 66 21.732 -15.363 1.978 1.00 3.64 C ATOM 2119 C LEU B 66 22.917 -15.058 2.898 1.00 3.76 C ATOM 2120 O LEU B 66 22.876 -15.331 4.083 1.00 3.80 O ATOM 2121 CB LEU B 66 22.129 -16.398 0.917 1.00 3.76 C ATOM 2122 CG LEU B 66 20.888 -16.941 0.187 1.00 3.67 C ATOM 2123 CD1 LEU B 66 19.789 -17.300 1.192 1.00 3.61 C ATOM 2124 CD2 LEU B 66 20.362 -15.886 -0.790 1.00 3.53 C ATOM 0 H LEU B 66 21.684 -14.103 0.255 1.00 3.49 H new ATOM 0 HA LEU B 66 20.920 -15.725 2.609 1.00 3.64 H new ATOM 0 HB2 LEU B 66 22.809 -15.944 0.197 1.00 3.76 H new ATOM 0 HB3 LEU B 66 22.667 -17.220 1.389 1.00 3.76 H new ATOM 0 HG LEU B 66 21.171 -17.840 -0.361 1.00 3.67 H new ATOM 0 HD11 LEU B 66 18.919 -17.682 0.658 1.00 3.61 H new ATOM 0 HD12 LEU B 66 20.158 -18.063 1.878 1.00 3.61 H new ATOM 0 HD13 LEU B 66 19.507 -16.411 1.756 1.00 3.61 H new ATOM 0 HD21 LEU B 66 19.483 -16.273 -1.305 1.00 3.53 H new ATOM 0 HD22 LEU B 66 20.092 -14.984 -0.241 1.00 3.53 H new ATOM 0 HD23 LEU B 66 21.136 -15.649 -1.520 1.00 3.53 H new ATOM 2136 N LYS B 67 23.969 -14.492 2.360 1.00 3.83 N ATOM 2137 CA LYS B 67 25.162 -14.164 3.201 1.00 3.96 C ATOM 2138 C LYS B 67 24.754 -13.234 4.345 1.00 3.88 C ATOM 2139 O LYS B 67 25.231 -13.356 5.458 1.00 3.97 O ATOM 2140 CB LYS B 67 26.134 -13.456 2.255 1.00 4.02 C ATOM 2141 CG LYS B 67 26.946 -14.499 1.485 1.00 4.19 C ATOM 2142 CD LYS B 67 28.027 -15.082 2.398 1.00 4.36 C ATOM 2143 CE LYS B 67 29.061 -14.001 2.726 1.00 4.43 C ATOM 2144 NZ LYS B 67 29.138 -13.979 4.214 1.00 4.51 N ATOM 0 H LYS B 67 24.053 -14.243 1.375 1.00 3.83 H new ATOM 0 HA LYS B 67 25.609 -15.050 3.651 1.00 3.96 H new ATOM 0 HB2 LYS B 67 25.584 -12.821 1.560 1.00 4.02 H new ATOM 0 HB3 LYS B 67 26.801 -12.806 2.821 1.00 4.02 H new ATOM 0 HG2 LYS B 67 26.291 -15.293 1.127 1.00 4.19 H new ATOM 0 HG3 LYS B 67 27.404 -14.043 0.607 1.00 4.19 H new ATOM 0 HD2 LYS B 67 27.577 -15.459 3.316 1.00 4.36 H new ATOM 0 HD3 LYS B 67 28.512 -15.927 1.910 1.00 4.36 H new ATOM 0 HE2 LYS B 67 30.030 -14.235 2.284 1.00 4.43 H new ATOM 0 HE3 LYS B 67 28.757 -13.031 2.332 1.00 4.43 H new ATOM 0 HZ1 LYS B 67 29.828 -13.261 4.515 1.00 4.51 H new ATOM 0 HZ2 LYS B 67 28.203 -13.747 4.607 1.00 4.51 H new ATOM 0 HZ3 LYS B 67 29.437 -14.913 4.560 1.00 4.51 H new ATOM 2158 N ARG B 68 23.866 -12.313 4.075 1.00 3.70 N ATOM 2159 CA ARG B 68 23.404 -11.373 5.134 1.00 3.62 C ATOM 2160 C ARG B 68 22.403 -12.088 6.052 1.00 3.57 C ATOM 2161 O ARG B 68 22.266 -11.758 7.214 1.00 3.57 O ATOM 2162 CB ARG B 68 22.759 -10.199 4.372 1.00 3.46 C ATOM 2163 CG ARG B 68 21.245 -10.396 4.242 1.00 3.28 C ATOM 2164 CD ARG B 68 20.675 -9.347 3.281 1.00 3.14 C ATOM 2165 NE ARG B 68 20.512 -8.118 4.107 1.00 3.09 N ATOM 2166 CZ ARG B 68 21.545 -7.369 4.376 1.00 3.20 C ATOM 2167 NH1 ARG B 68 22.361 -7.015 3.422 1.00 3.28 N ATOM 2168 NH2 ARG B 68 21.763 -6.974 5.601 1.00 3.30 N ATOM 0 H ARG B 68 23.439 -12.172 3.159 1.00 3.70 H new ATOM 0 HA ARG B 68 24.209 -11.018 5.777 1.00 3.62 H new ATOM 0 HB2 ARG B 68 22.964 -9.265 4.894 1.00 3.46 H new ATOM 0 HB3 ARG B 68 23.205 -10.115 3.381 1.00 3.46 H new ATOM 0 HG2 ARG B 68 21.028 -11.399 3.873 1.00 3.28 H new ATOM 0 HG3 ARG B 68 20.770 -10.306 5.219 1.00 3.28 H new ATOM 0 HD2 ARG B 68 21.349 -9.173 2.442 1.00 3.14 H new ATOM 0 HD3 ARG B 68 19.722 -9.671 2.863 1.00 3.14 H new ATOM 0 HE ARG B 68 19.591 -7.862 4.463 1.00 3.09 H new ATOM 0 HH11 ARG B 68 22.191 -7.324 2.465 1.00 3.28 H new ATOM 0 HH12 ARG B 68 23.169 -6.429 3.633 1.00 3.28 H new ATOM 0 HH21 ARG B 68 21.125 -7.251 6.347 1.00 3.30 H new ATOM 0 HH22 ARG B 68 22.571 -6.388 5.812 1.00 3.30 H new ATOM 2182 N TRP B 69 21.712 -13.068 5.524 1.00 3.53 N ATOM 2183 CA TRP B 69 20.713 -13.838 6.332 1.00 3.50 C ATOM 2184 C TRP B 69 21.309 -14.305 7.668 1.00 3.65 C ATOM 2185 O TRP B 69 20.628 -14.341 8.676 1.00 3.63 O ATOM 2186 CB TRP B 69 20.394 -15.054 5.468 1.00 3.53 C ATOM 2187 CG TRP B 69 18.990 -15.499 5.701 1.00 3.43 C ATOM 2188 CD1 TRP B 69 18.636 -16.749 6.072 1.00 3.52 C ATOM 2189 CD2 TRP B 69 17.750 -14.741 5.577 1.00 3.24 C ATOM 2190 NE1 TRP B 69 17.262 -16.809 6.182 1.00 3.40 N ATOM 2191 CE2 TRP B 69 16.670 -15.601 5.886 1.00 3.22 C ATOM 2192 CE3 TRP B 69 17.454 -13.407 5.230 1.00 3.08 C ATOM 2193 CZ2 TRP B 69 15.350 -15.161 5.852 1.00 3.06 C ATOM 2194 CZ3 TRP B 69 16.123 -12.964 5.196 1.00 2.91 C ATOM 2195 CH2 TRP B 69 15.076 -13.842 5.504 1.00 2.90 C ATOM 0 H TRP B 69 21.798 -13.372 4.554 1.00 3.53 H new ATOM 0 HA TRP B 69 19.840 -13.232 6.575 1.00 3.50 H new ATOM 0 HB2 TRP B 69 20.535 -14.808 4.416 1.00 3.53 H new ATOM 0 HB3 TRP B 69 21.084 -15.865 5.701 1.00 3.53 H new ATOM 0 HD1 TRP B 69 19.317 -17.567 6.253 1.00 3.52 H new ATOM 0 HE1 TRP B 69 16.746 -17.647 6.450 1.00 3.40 H new ATOM 0 HE3 TRP B 69 18.255 -12.723 4.989 1.00 3.08 H new ATOM 0 HZ2 TRP B 69 14.544 -15.838 6.094 1.00 3.06 H new ATOM 0 HZ3 TRP B 69 15.905 -11.940 4.931 1.00 2.91 H new ATOM 0 HH2 TRP B 69 14.054 -13.494 5.471 1.00 2.90 H new ATOM 2206 N GLY B 70 22.564 -14.686 7.674 1.00 3.82 N ATOM 2207 CA GLY B 70 23.196 -15.180 8.935 1.00 3.98 C ATOM 2208 C GLY B 70 24.232 -14.179 9.450 1.00 4.04 C ATOM 2209 O GLY B 70 25.323 -14.554 9.837 1.00 4.22 O ATOM 0 H GLY B 70 23.177 -14.676 6.859 1.00 3.82 H new ATOM 0 HA2 GLY B 70 22.429 -15.340 9.693 1.00 3.98 H new ATOM 0 HA3 GLY B 70 23.672 -16.144 8.755 1.00 3.98 H new ATOM 2213 N THR B 71 23.900 -12.915 9.473 1.00 3.92 N ATOM 2214 CA THR B 71 24.868 -11.899 9.983 1.00 4.00 C ATOM 2215 C THR B 71 24.156 -10.568 10.256 1.00 3.87 C ATOM 2216 O THR B 71 24.762 -9.513 10.218 1.00 3.89 O ATOM 2217 CB THR B 71 25.925 -11.756 8.878 1.00 4.07 C ATOM 2218 OG1 THR B 71 27.123 -11.240 9.441 1.00 4.22 O ATOM 2219 CG2 THR B 71 25.430 -10.810 7.782 1.00 3.95 C ATOM 0 H THR B 71 23.003 -12.543 9.162 1.00 3.92 H new ATOM 0 HA THR B 71 25.322 -12.199 10.928 1.00 4.00 H new ATOM 0 HB THR B 71 26.111 -12.736 8.438 1.00 4.07 H new ATOM 0 HG1 THR B 71 26.925 -10.415 9.932 1.00 4.22 H new ATOM 0 HG21 THR B 71 26.192 -10.720 7.007 1.00 3.95 H new ATOM 0 HG22 THR B 71 24.513 -11.207 7.346 1.00 3.95 H new ATOM 0 HG23 THR B 71 25.232 -9.828 8.211 1.00 3.95 H new ATOM 2227 N ILE B 72 22.877 -10.614 10.538 1.00 3.74 N ATOM 2228 CA ILE B 72 22.122 -9.358 10.825 1.00 3.61 C ATOM 2229 C ILE B 72 21.774 -9.288 12.320 1.00 3.67 C ATOM 2230 O ILE B 72 22.642 -9.416 13.163 1.00 3.82 O ATOM 2231 CB ILE B 72 20.867 -9.428 9.946 1.00 3.43 C ATOM 2232 CG1 ILE B 72 20.066 -10.691 10.275 1.00 3.42 C ATOM 2233 CG2 ILE B 72 21.276 -9.454 8.472 1.00 3.40 C ATOM 2234 CD1 ILE B 72 18.574 -10.404 10.087 1.00 3.23 C ATOM 0 H ILE B 72 22.324 -11.470 10.582 1.00 3.74 H new ATOM 0 HA ILE B 72 22.698 -8.460 10.603 1.00 3.61 H new ATOM 0 HB ILE B 72 20.248 -8.552 10.139 1.00 3.43 H new ATOM 0 HG12 ILE B 72 20.375 -11.511 9.627 1.00 3.42 H new ATOM 0 HG13 ILE B 72 20.262 -11.004 11.301 1.00 3.42 H new ATOM 0 HG21 ILE B 72 20.384 -9.504 7.848 1.00 3.40 H new ATOM 0 HG22 ILE B 72 21.836 -8.550 8.234 1.00 3.40 H new ATOM 0 HG23 ILE B 72 21.900 -10.327 8.283 1.00 3.40 H new ATOM 0 HD11 ILE B 72 17.999 -11.300 10.320 1.00 3.23 H new ATOM 0 HD12 ILE B 72 18.272 -9.596 10.753 1.00 3.23 H new ATOM 0 HD13 ILE B 72 18.387 -10.111 9.054 1.00 3.23 H new ATOM 2246 N LYS B 73 20.526 -9.073 12.657 1.00 3.55 N ATOM 2247 CA LYS B 73 20.140 -8.978 14.097 1.00 3.61 C ATOM 2248 C LYS B 73 19.176 -10.093 14.484 1.00 3.58 C ATOM 2249 O LYS B 73 19.189 -10.566 15.604 1.00 3.70 O ATOM 2250 CB LYS B 73 19.437 -7.630 14.212 1.00 3.51 C ATOM 2251 CG LYS B 73 19.038 -7.380 15.664 1.00 3.57 C ATOM 2252 CD LYS B 73 20.031 -6.413 16.314 1.00 3.75 C ATOM 2253 CE LYS B 73 20.176 -6.751 17.799 1.00 4.02 C ATOM 2254 NZ LYS B 73 21.626 -6.576 18.094 1.00 4.35 N ATOM 0 H LYS B 73 19.758 -8.959 11.995 1.00 3.55 H new ATOM 0 HA LYS B 73 21.005 -9.070 14.754 1.00 3.61 H new ATOM 0 HB2 LYS B 73 20.096 -6.835 13.864 1.00 3.51 H new ATOM 0 HB3 LYS B 73 18.553 -7.614 13.574 1.00 3.51 H new ATOM 0 HG2 LYS B 73 18.031 -6.966 15.708 1.00 3.57 H new ATOM 0 HG3 LYS B 73 19.020 -8.321 16.213 1.00 3.57 H new ATOM 0 HD2 LYS B 73 20.999 -6.482 15.818 1.00 3.75 H new ATOM 0 HD3 LYS B 73 19.685 -5.386 16.196 1.00 3.75 H new ATOM 0 HE2 LYS B 73 19.565 -6.091 18.415 1.00 4.02 H new ATOM 0 HE3 LYS B 73 19.851 -7.771 18.005 1.00 4.02 H new ATOM 0 HZ1 LYS B 73 21.805 -6.790 19.096 1.00 4.35 H new ATOM 0 HZ2 LYS B 73 22.182 -7.221 17.497 1.00 4.35 H new ATOM 0 HZ3 LYS B 73 21.905 -5.594 17.895 1.00 4.35 H new ATOM 2268 N LYS B 74 18.326 -10.480 13.572 1.00 3.44 N ATOM 2269 CA LYS B 74 17.304 -11.542 13.842 1.00 3.42 C ATOM 2270 C LYS B 74 16.221 -11.000 14.781 1.00 3.36 C ATOM 2271 O LYS B 74 15.044 -11.122 14.509 1.00 3.24 O ATOM 2272 CB LYS B 74 18.019 -12.741 14.492 1.00 3.61 C ATOM 2273 CG LYS B 74 19.346 -13.042 13.793 1.00 3.71 C ATOM 2274 CD LYS B 74 19.159 -13.067 12.273 1.00 3.58 C ATOM 2275 CE LYS B 74 18.229 -14.220 11.895 1.00 3.61 C ATOM 2276 NZ LYS B 74 18.767 -14.746 10.609 1.00 3.76 N ATOM 0 H LYS B 74 18.294 -10.097 12.627 1.00 3.44 H new ATOM 0 HA LYS B 74 16.826 -11.851 12.912 1.00 3.42 H new ATOM 0 HB2 LYS B 74 18.200 -12.531 15.546 1.00 3.61 H new ATOM 0 HB3 LYS B 74 17.375 -13.619 14.448 1.00 3.61 H new ATOM 0 HG2 LYS B 74 20.085 -12.287 14.062 1.00 3.71 H new ATOM 0 HG3 LYS B 74 19.733 -14.002 14.133 1.00 3.71 H new ATOM 0 HD2 LYS B 74 18.740 -12.120 11.931 1.00 3.58 H new ATOM 0 HD3 LYS B 74 20.123 -13.186 11.779 1.00 3.58 H new ATOM 0 HE2 LYS B 74 18.224 -14.991 12.665 1.00 3.61 H new ATOM 0 HE3 LYS B 74 17.201 -13.876 11.781 1.00 3.61 H new ATOM 0 HZ1 LYS B 74 18.667 -15.781 10.588 1.00 3.76 H new ATOM 0 HZ2 LYS B 74 18.238 -14.331 9.816 1.00 3.76 H new ATOM 0 HZ3 LYS B 74 19.772 -14.493 10.524 1.00 3.76 H new ATOM 2290 N SER B 75 16.606 -10.393 15.877 1.00 3.46 N ATOM 2291 CA SER B 75 15.590 -9.842 16.822 1.00 3.43 C ATOM 2292 C SER B 75 14.740 -8.803 16.098 1.00 3.23 C ATOM 2293 O SER B 75 13.535 -8.762 16.247 1.00 3.15 O ATOM 2294 CB SER B 75 16.392 -9.203 17.958 1.00 3.57 C ATOM 2295 OG SER B 75 17.018 -8.017 17.488 1.00 3.80 O ATOM 0 H SER B 75 17.578 -10.256 16.156 1.00 3.46 H new ATOM 0 HA SER B 75 14.913 -10.606 17.204 1.00 3.43 H new ATOM 0 HB2 SER B 75 15.735 -8.972 18.796 1.00 3.57 H new ATOM 0 HB3 SER B 75 17.143 -9.902 18.325 1.00 3.57 H new ATOM 0 HG SER B 75 17.530 -7.607 18.216 1.00 3.80 H new ATOM 2301 N LYS B 76 15.365 -7.975 15.302 1.00 3.17 N ATOM 2302 CA LYS B 76 14.608 -6.940 14.543 1.00 2.99 C ATOM 2303 C LYS B 76 13.895 -7.589 13.355 1.00 2.85 C ATOM 2304 O LYS B 76 12.752 -7.288 13.068 1.00 2.71 O ATOM 2305 CB LYS B 76 15.670 -5.951 14.063 1.00 3.02 C ATOM 2306 CG LYS B 76 15.076 -4.540 14.015 1.00 3.08 C ATOM 2307 CD LYS B 76 14.679 -4.097 15.427 1.00 3.20 C ATOM 2308 CE LYS B 76 13.161 -3.915 15.501 1.00 3.45 C ATOM 2309 NZ LYS B 76 12.944 -2.447 15.375 1.00 3.74 N ATOM 0 H LYS B 76 16.373 -7.973 15.145 1.00 3.17 H new ATOM 0 HA LYS B 76 13.843 -6.450 15.146 1.00 2.99 H new ATOM 0 HB2 LYS B 76 16.530 -5.972 14.733 1.00 3.02 H new ATOM 0 HB3 LYS B 76 16.029 -6.239 13.075 1.00 3.02 H new ATOM 0 HG2 LYS B 76 15.802 -3.844 13.596 1.00 3.08 H new ATOM 0 HG3 LYS B 76 14.205 -4.524 13.360 1.00 3.08 H new ATOM 0 HD2 LYS B 76 15.002 -4.840 16.156 1.00 3.20 H new ATOM 0 HD3 LYS B 76 15.180 -3.163 15.680 1.00 3.20 H new ATOM 0 HE2 LYS B 76 12.659 -4.459 14.701 1.00 3.45 H new ATOM 0 HE3 LYS B 76 12.763 -4.294 16.442 1.00 3.45 H new ATOM 0 HZ1 LYS B 76 11.925 -2.242 15.417 1.00 3.74 H new ATOM 0 HZ2 LYS B 76 13.428 -1.956 16.154 1.00 3.74 H new ATOM 0 HZ3 LYS B 76 13.327 -2.116 14.466 1.00 3.74 H new ATOM 2323 N ALA B 77 14.562 -8.485 12.669 1.00 2.89 N ATOM 2324 CA ALA B 77 13.926 -9.168 11.502 1.00 2.78 C ATOM 2325 C ALA B 77 12.728 -9.990 11.975 1.00 2.76 C ATOM 2326 O ALA B 77 11.629 -9.846 11.474 1.00 2.62 O ATOM 2327 CB ALA B 77 15.005 -10.089 10.930 1.00 2.89 C ATOM 0 H ALA B 77 15.520 -8.772 12.868 1.00 2.89 H new ATOM 0 HA ALA B 77 13.565 -8.458 10.757 1.00 2.78 H new ATOM 0 HB1 ALA B 77 14.607 -10.624 10.068 1.00 2.89 H new ATOM 0 HB2 ALA B 77 15.865 -9.494 10.623 1.00 2.89 H new ATOM 0 HB3 ALA B 77 15.313 -10.806 11.691 1.00 2.89 H new ATOM 2333 N ILE B 78 12.938 -10.849 12.941 1.00 2.91 N ATOM 2334 CA ILE B 78 11.818 -11.685 13.461 1.00 2.93 C ATOM 2335 C ILE B 78 10.695 -10.780 13.980 1.00 2.83 C ATOM 2336 O ILE B 78 9.532 -11.019 13.717 1.00 2.75 O ATOM 2337 CB ILE B 78 12.431 -12.523 14.588 1.00 3.14 C ATOM 2338 CG1 ILE B 78 13.502 -13.451 14.000 1.00 3.24 C ATOM 2339 CG2 ILE B 78 11.341 -13.365 15.256 1.00 3.18 C ATOM 2340 CD1 ILE B 78 14.571 -13.754 15.054 1.00 3.43 C ATOM 0 H ILE B 78 13.840 -11.006 13.391 1.00 2.91 H new ATOM 0 HA ILE B 78 11.376 -12.323 12.695 1.00 2.93 H new ATOM 0 HB ILE B 78 12.881 -11.862 15.329 1.00 3.14 H new ATOM 0 HG12 ILE B 78 13.043 -14.379 13.659 1.00 3.24 H new ATOM 0 HG13 ILE B 78 13.961 -12.984 13.129 1.00 3.24 H new ATOM 0 HG21 ILE B 78 11.780 -13.960 16.057 1.00 3.18 H new ATOM 0 HG22 ILE B 78 10.576 -12.708 15.670 1.00 3.18 H new ATOM 0 HG23 ILE B 78 10.890 -14.028 14.518 1.00 3.18 H new ATOM 0 HD11 ILE B 78 15.327 -14.413 14.627 1.00 3.43 H new ATOM 0 HD12 ILE B 78 15.040 -12.824 15.374 1.00 3.43 H new ATOM 0 HD13 ILE B 78 14.108 -14.241 15.912 1.00 3.43 H new ATOM 2352 N ASN B 79 11.034 -9.729 14.691 1.00 2.86 N ATOM 2353 CA ASN B 79 9.974 -8.801 15.191 1.00 2.78 C ATOM 2354 C ASN B 79 9.269 -8.173 13.991 1.00 2.57 C ATOM 2355 O ASN B 79 8.060 -8.035 13.968 1.00 2.49 O ATOM 2356 CB ASN B 79 10.706 -7.730 16.003 1.00 2.86 C ATOM 2357 CG ASN B 79 10.643 -8.088 17.490 1.00 3.04 C ATOM 2358 OD1 ASN B 79 9.572 -8.206 18.052 1.00 3.08 O ATOM 2359 ND2 ASN B 79 11.751 -8.266 18.155 1.00 3.20 N ATOM 0 H ASN B 79 11.990 -9.477 14.943 1.00 2.86 H new ATOM 0 HA ASN B 79 9.225 -9.307 15.800 1.00 2.78 H new ATOM 0 HB2 ASN B 79 11.744 -7.658 15.679 1.00 2.86 H new ATOM 0 HB3 ASN B 79 10.251 -6.754 15.833 1.00 2.86 H new ATOM 0 HD21 ASN B 79 11.718 -8.504 19.146 1.00 3.20 H new ATOM 0 HD22 ASN B 79 12.650 -8.167 17.684 1.00 3.20 H new ATOM 2366 N VAL B 80 10.026 -7.817 12.984 1.00 2.51 N ATOM 2367 CA VAL B 80 9.424 -7.220 11.756 1.00 2.31 C ATOM 2368 C VAL B 80 8.432 -8.221 11.158 1.00 2.24 C ATOM 2369 O VAL B 80 7.310 -7.882 10.832 1.00 2.12 O ATOM 2370 CB VAL B 80 10.613 -6.975 10.812 1.00 2.30 C ATOM 2371 CG1 VAL B 80 10.266 -7.419 9.390 1.00 2.18 C ATOM 2372 CG2 VAL B 80 10.956 -5.484 10.806 1.00 2.26 C ATOM 0 H VAL B 80 11.041 -7.915 12.961 1.00 2.51 H new ATOM 0 HA VAL B 80 8.878 -6.296 11.944 1.00 2.31 H new ATOM 0 HB VAL B 80 11.467 -7.553 11.164 1.00 2.30 H new ATOM 0 HG11 VAL B 80 11.118 -7.239 8.734 1.00 2.18 H new ATOM 0 HG12 VAL B 80 10.026 -8.482 9.389 1.00 2.18 H new ATOM 0 HG13 VAL B 80 9.406 -6.853 9.032 1.00 2.18 H new ATOM 0 HG21 VAL B 80 11.799 -5.307 10.138 1.00 2.26 H new ATOM 0 HG22 VAL B 80 10.093 -4.914 10.461 1.00 2.26 H new ATOM 0 HG23 VAL B 80 11.221 -5.167 11.815 1.00 2.26 H new ATOM 2382 N LEU B 81 8.846 -9.458 11.026 1.00 2.34 N ATOM 2383 CA LEU B 81 7.937 -10.499 10.465 1.00 2.32 C ATOM 2384 C LEU B 81 6.698 -10.619 11.348 1.00 2.33 C ATOM 2385 O LEU B 81 5.594 -10.786 10.866 1.00 2.26 O ATOM 2386 CB LEU B 81 8.749 -11.793 10.480 1.00 2.48 C ATOM 2387 CG LEU B 81 9.086 -12.194 9.043 1.00 2.45 C ATOM 2388 CD1 LEU B 81 10.476 -11.669 8.679 1.00 2.53 C ATOM 2389 CD2 LEU B 81 9.067 -13.719 8.920 1.00 2.61 C ATOM 0 H LEU B 81 9.776 -9.789 11.284 1.00 2.34 H new ATOM 0 HA LEU B 81 7.593 -10.261 9.458 1.00 2.32 H new ATOM 0 HB2 LEU B 81 9.664 -11.655 11.056 1.00 2.48 H new ATOM 0 HB3 LEU B 81 8.182 -12.586 10.968 1.00 2.48 H new ATOM 0 HG LEU B 81 8.348 -11.767 8.364 1.00 2.45 H new ATOM 0 HD11 LEU B 81 10.716 -11.955 7.655 1.00 2.53 H new ATOM 0 HD12 LEU B 81 10.489 -10.582 8.765 1.00 2.53 H new ATOM 0 HD13 LEU B 81 11.215 -12.095 9.357 1.00 2.53 H new ATOM 0 HD21 LEU B 81 9.307 -14.004 7.896 1.00 2.61 H new ATOM 0 HD22 LEU B 81 9.804 -14.148 9.599 1.00 2.61 H new ATOM 0 HD23 LEU B 81 8.076 -14.092 9.178 1.00 2.61 H new ATOM 2401 N ARG B 82 6.872 -10.509 12.640 1.00 2.44 N ATOM 2402 CA ARG B 82 5.701 -10.586 13.556 1.00 2.49 C ATOM 2403 C ARG B 82 4.814 -9.366 13.307 1.00 2.33 C ATOM 2404 O ARG B 82 3.600 -9.461 13.254 1.00 2.29 O ATOM 2405 CB ARG B 82 6.288 -10.555 14.968 1.00 2.65 C ATOM 2406 CG ARG B 82 5.357 -11.302 15.926 1.00 2.79 C ATOM 2407 CD ARG B 82 5.848 -12.742 16.101 1.00 2.96 C ATOM 2408 NE ARG B 82 6.400 -12.795 17.484 1.00 3.19 N ATOM 2409 CZ ARG B 82 7.567 -12.272 17.740 1.00 3.30 C ATOM 2410 NH1 ARG B 82 8.655 -12.904 17.394 1.00 3.54 N ATOM 2411 NH2 ARG B 82 7.647 -11.119 18.344 1.00 3.50 N ATOM 0 H ARG B 82 7.773 -10.370 13.097 1.00 2.44 H new ATOM 0 HA ARG B 82 5.095 -11.480 13.407 1.00 2.49 H new ATOM 0 HB2 ARG B 82 7.276 -11.015 14.972 1.00 2.65 H new ATOM 0 HB3 ARG B 82 6.415 -9.524 15.298 1.00 2.65 H new ATOM 0 HG2 ARG B 82 5.330 -10.796 16.891 1.00 2.79 H new ATOM 0 HG3 ARG B 82 4.339 -11.299 15.536 1.00 2.79 H new ATOM 0 HD2 ARG B 82 5.034 -13.455 15.973 1.00 2.96 H new ATOM 0 HD3 ARG B 82 6.609 -12.992 15.362 1.00 2.96 H new ATOM 0 HE ARG B 82 5.865 -13.240 18.230 1.00 3.19 H new ATOM 0 HH11 ARG B 82 8.593 -13.807 16.923 1.00 3.54 H new ATOM 0 HH12 ARG B 82 9.568 -12.495 17.594 1.00 3.54 H new ATOM 0 HH21 ARG B 82 6.797 -10.626 18.616 1.00 3.50 H new ATOM 0 HH22 ARG B 82 8.560 -10.710 18.544 1.00 3.50 H new ATOM 2425 N GLY B 83 5.428 -8.221 13.130 1.00 2.24 N ATOM 2426 CA GLY B 83 4.650 -6.981 12.856 1.00 2.10 C ATOM 2427 C GLY B 83 3.928 -7.147 11.522 1.00 1.93 C ATOM 2428 O GLY B 83 2.801 -6.716 11.358 1.00 1.84 O ATOM 0 H GLY B 83 6.440 -8.096 13.165 1.00 2.24 H new ATOM 0 HA2 GLY B 83 3.932 -6.800 13.656 1.00 2.10 H new ATOM 0 HA3 GLY B 83 5.314 -6.117 12.822 1.00 2.10 H new ATOM 2432 N PHE B 84 4.565 -7.790 10.571 1.00 1.92 N ATOM 2433 CA PHE B 84 3.910 -8.009 9.249 1.00 1.79 C ATOM 2434 C PHE B 84 2.653 -8.852 9.457 1.00 1.83 C ATOM 2435 O PHE B 84 1.632 -8.624 8.839 1.00 1.73 O ATOM 2436 CB PHE B 84 4.933 -8.769 8.398 1.00 1.85 C ATOM 2437 CG PHE B 84 5.865 -7.807 7.706 1.00 1.77 C ATOM 2438 CD1 PHE B 84 5.364 -6.658 7.082 1.00 1.98 C ATOM 2439 CD2 PHE B 84 7.236 -8.077 7.677 1.00 2.08 C ATOM 2440 CE1 PHE B 84 6.238 -5.783 6.435 1.00 1.93 C ATOM 2441 CE2 PHE B 84 8.105 -7.203 7.027 1.00 2.10 C ATOM 2442 CZ PHE B 84 7.608 -6.057 6.408 1.00 1.73 C ATOM 0 H PHE B 84 5.508 -8.170 10.656 1.00 1.92 H new ATOM 0 HA PHE B 84 3.616 -7.077 8.766 1.00 1.79 H new ATOM 0 HB2 PHE B 84 5.506 -9.449 9.029 1.00 1.85 H new ATOM 0 HB3 PHE B 84 4.416 -9.380 7.658 1.00 1.85 H new ATOM 0 HD1 PHE B 84 4.305 -6.449 7.101 1.00 1.98 H new ATOM 0 HD2 PHE B 84 7.622 -8.963 8.159 1.00 2.08 H new ATOM 0 HE1 PHE B 84 5.855 -4.894 5.955 1.00 1.93 H new ATOM 0 HE2 PHE B 84 9.164 -7.413 7.003 1.00 2.10 H new ATOM 0 HZ PHE B 84 8.283 -5.380 5.907 1.00 1.73 H new ATOM 2452 N ARG B 85 2.719 -9.813 10.348 1.00 2.00 N ATOM 2453 CA ARG B 85 1.524 -10.661 10.628 1.00 2.08 C ATOM 2454 C ARG B 85 0.406 -9.769 11.164 1.00 2.04 C ATOM 2455 O ARG B 85 -0.744 -9.902 10.791 1.00 2.02 O ATOM 2456 CB ARG B 85 1.977 -11.664 11.692 1.00 2.29 C ATOM 2457 CG ARG B 85 0.967 -12.810 11.778 1.00 2.41 C ATOM 2458 CD ARG B 85 -0.098 -12.478 12.826 1.00 2.59 C ATOM 2459 NE ARG B 85 -1.057 -13.617 12.774 1.00 3.07 N ATOM 2460 CZ ARG B 85 -1.880 -13.821 13.766 1.00 3.61 C ATOM 2461 NH1 ARG B 85 -1.471 -14.446 14.836 1.00 4.09 N ATOM 2462 NH2 ARG B 85 -3.114 -13.400 13.687 1.00 4.11 N ATOM 0 H ARG B 85 3.550 -10.044 10.892 1.00 2.00 H new ATOM 0 HA ARG B 85 1.148 -11.174 9.743 1.00 2.08 H new ATOM 0 HB2 ARG B 85 2.964 -12.053 11.443 1.00 2.29 H new ATOM 0 HB3 ARG B 85 2.064 -11.169 12.659 1.00 2.29 H new ATOM 0 HG2 ARG B 85 0.499 -12.969 10.807 1.00 2.41 H new ATOM 0 HG3 ARG B 85 1.475 -13.737 12.042 1.00 2.41 H new ATOM 0 HD2 ARG B 85 0.342 -12.377 13.818 1.00 2.59 H new ATOM 0 HD3 ARG B 85 -0.594 -11.534 12.600 1.00 2.59 H new ATOM 0 HE ARG B 85 -1.070 -14.237 11.964 1.00 3.07 H new ATOM 0 HH11 ARG B 85 -0.508 -14.775 14.897 1.00 4.09 H new ATOM 0 HH12 ARG B 85 -2.115 -14.605 15.611 1.00 4.09 H new ATOM 0 HH21 ARG B 85 -3.434 -12.912 12.850 1.00 4.11 H new ATOM 0 HH22 ARG B 85 -3.758 -13.559 14.462 1.00 4.11 H new ATOM 2476 N LYS B 86 0.750 -8.842 12.024 1.00 2.06 N ATOM 2477 CA LYS B 86 -0.277 -7.910 12.574 1.00 2.05 C ATOM 2478 C LYS B 86 -0.708 -6.940 11.473 1.00 1.86 C ATOM 2479 O LYS B 86 -1.844 -6.508 11.421 1.00 1.84 O ATOM 2480 CB LYS B 86 0.422 -7.163 13.715 1.00 2.14 C ATOM 2481 CG LYS B 86 -0.317 -7.426 15.029 1.00 2.34 C ATOM 2482 CD LYS B 86 0.004 -8.838 15.524 1.00 2.62 C ATOM 2483 CE LYS B 86 -1.047 -9.818 14.995 1.00 2.78 C ATOM 2484 NZ LYS B 86 -1.414 -10.660 16.169 1.00 3.16 N ATOM 0 H LYS B 86 1.699 -8.692 12.368 1.00 2.06 H new ATOM 0 HA LYS B 86 -1.170 -8.424 12.930 1.00 2.05 H new ATOM 0 HB2 LYS B 86 1.458 -7.491 13.797 1.00 2.14 H new ATOM 0 HB3 LYS B 86 0.442 -6.094 13.505 1.00 2.14 H new ATOM 0 HG2 LYS B 86 -0.021 -6.691 15.778 1.00 2.34 H new ATOM 0 HG3 LYS B 86 -1.391 -7.317 14.882 1.00 2.34 H new ATOM 0 HD2 LYS B 86 0.997 -9.136 15.186 1.00 2.62 H new ATOM 0 HD3 LYS B 86 0.019 -8.858 16.614 1.00 2.62 H new ATOM 0 HE2 LYS B 86 -1.916 -9.291 14.601 1.00 2.78 H new ATOM 0 HE3 LYS B 86 -0.647 -10.425 14.183 1.00 2.78 H new ATOM 0 HZ1 LYS B 86 -2.131 -11.357 15.885 1.00 3.16 H new ATOM 0 HZ2 LYS B 86 -0.569 -11.155 16.519 1.00 3.16 H new ATOM 0 HZ3 LYS B 86 -1.798 -10.056 16.923 1.00 3.16 H new ATOM 2498 N GLU B 87 0.197 -6.611 10.584 1.00 1.73 N ATOM 2499 CA GLU B 87 -0.143 -5.685 9.465 1.00 1.54 C ATOM 2500 C GLU B 87 -1.058 -6.405 8.473 1.00 1.49 C ATOM 2501 O GLU B 87 -1.995 -5.833 7.949 1.00 1.41 O ATOM 2502 CB GLU B 87 1.195 -5.340 8.808 1.00 1.45 C ATOM 2503 CG GLU B 87 1.842 -4.166 9.546 1.00 1.50 C ATOM 2504 CD GLU B 87 2.652 -3.325 8.558 1.00 1.50 C ATOM 2505 OE1 GLU B 87 3.449 -3.901 7.835 1.00 1.74 O ATOM 2506 OE2 GLU B 87 2.462 -2.120 8.540 1.00 1.72 O ATOM 0 H GLU B 87 1.160 -6.947 10.587 1.00 1.73 H new ATOM 0 HA GLU B 87 -0.664 -4.790 9.804 1.00 1.54 H new ATOM 0 HB2 GLU B 87 1.857 -6.206 8.831 1.00 1.45 H new ATOM 0 HB3 GLU B 87 1.041 -5.084 7.760 1.00 1.45 H new ATOM 0 HG2 GLU B 87 1.075 -3.552 10.018 1.00 1.50 H new ATOM 0 HG3 GLU B 87 2.489 -4.535 10.341 1.00 1.50 H new ATOM 2513 N ILE B 88 -0.795 -7.665 8.225 1.00 1.56 N ATOM 2514 CA ILE B 88 -1.649 -8.439 7.280 1.00 1.56 C ATOM 2515 C ILE B 88 -3.018 -8.681 7.926 1.00 1.67 C ATOM 2516 O ILE B 88 -4.046 -8.594 7.278 1.00 1.65 O ATOM 2517 CB ILE B 88 -0.870 -9.747 7.016 1.00 1.66 C ATOM 2518 CG1 ILE B 88 -0.923 -10.073 5.517 1.00 1.60 C ATOM 2519 CG2 ILE B 88 -1.457 -10.923 7.809 1.00 1.86 C ATOM 2520 CD1 ILE B 88 0.499 -10.234 4.977 1.00 1.60 C ATOM 0 H ILE B 88 -0.024 -8.189 8.639 1.00 1.56 H new ATOM 0 HA ILE B 88 -1.845 -7.923 6.340 1.00 1.56 H new ATOM 0 HB ILE B 88 0.160 -9.599 7.339 1.00 1.66 H new ATOM 0 HG12 ILE B 88 -1.491 -10.989 5.353 1.00 1.60 H new ATOM 0 HG13 ILE B 88 -1.439 -9.278 4.979 1.00 1.60 H new ATOM 0 HG21 ILE B 88 -0.884 -11.826 7.598 1.00 1.86 H new ATOM 0 HG22 ILE B 88 -1.409 -10.703 8.875 1.00 1.86 H new ATOM 0 HG23 ILE B 88 -2.496 -11.076 7.517 1.00 1.86 H new ATOM 0 HD11 ILE B 88 0.460 -10.465 3.913 1.00 1.60 H new ATOM 0 HD12 ILE B 88 1.052 -9.307 5.127 1.00 1.60 H new ATOM 0 HD13 ILE B 88 1.000 -11.045 5.506 1.00 1.60 H new ATOM 2532 N GLY B 89 -3.038 -8.949 9.210 1.00 1.82 N ATOM 2533 CA GLY B 89 -4.337 -9.162 9.911 1.00 1.96 C ATOM 2534 C GLY B 89 -5.120 -7.855 9.846 1.00 1.88 C ATOM 2535 O GLY B 89 -6.332 -7.842 9.731 1.00 1.93 O ATOM 0 H GLY B 89 -2.210 -9.029 9.800 1.00 1.82 H new ATOM 0 HA2 GLY B 89 -4.899 -9.968 9.439 1.00 1.96 H new ATOM 0 HA3 GLY B 89 -4.169 -9.456 10.947 1.00 1.96 H new ATOM 2539 N ARG B 90 -4.419 -6.752 9.894 1.00 1.77 N ATOM 2540 CA ARG B 90 -5.092 -5.430 9.807 1.00 1.71 C ATOM 2541 C ARG B 90 -5.644 -5.247 8.395 1.00 1.58 C ATOM 2542 O ARG B 90 -6.719 -4.709 8.207 1.00 1.61 O ATOM 2543 CB ARG B 90 -3.998 -4.399 10.088 1.00 1.63 C ATOM 2544 CG ARG B 90 -3.896 -4.149 11.593 1.00 1.79 C ATOM 2545 CD ARG B 90 -2.750 -3.173 11.865 1.00 1.75 C ATOM 2546 NE ARG B 90 -2.839 -2.864 13.320 1.00 1.99 N ATOM 2547 CZ ARG B 90 -1.867 -2.225 13.912 1.00 2.12 C ATOM 2548 NH1 ARG B 90 -0.741 -2.837 14.163 1.00 2.49 N ATOM 2549 NH2 ARG B 90 -2.019 -0.975 14.252 1.00 2.29 N ATOM 0 H ARG B 90 -3.404 -6.714 9.990 1.00 1.77 H new ATOM 0 HA ARG B 90 -5.921 -5.332 10.508 1.00 1.71 H new ATOM 0 HB2 ARG B 90 -3.042 -4.755 9.704 1.00 1.63 H new ATOM 0 HB3 ARG B 90 -4.222 -3.467 9.570 1.00 1.63 H new ATOM 0 HG2 ARG B 90 -4.834 -3.741 11.970 1.00 1.79 H new ATOM 0 HG3 ARG B 90 -3.722 -5.088 12.119 1.00 1.79 H new ATOM 0 HD2 ARG B 90 -1.787 -3.617 11.615 1.00 1.75 H new ATOM 0 HD3 ARG B 90 -2.851 -2.270 11.263 1.00 1.75 H new ATOM 0 HE ARG B 90 -3.659 -3.152 13.853 1.00 1.99 H new ATOM 0 HH11 ARG B 90 -0.621 -3.814 13.896 1.00 2.49 H new ATOM 0 HH12 ARG B 90 0.019 -2.338 14.626 1.00 2.49 H new ATOM 0 HH21 ARG B 90 -2.898 -0.496 14.055 1.00 2.29 H new ATOM 0 HH22 ARG B 90 -1.259 -0.476 14.715 1.00 2.29 H new ATOM 2563 N MET B 91 -4.919 -5.723 7.403 1.00 1.46 N ATOM 2564 CA MET B 91 -5.396 -5.603 5.993 1.00 1.36 C ATOM 2565 C MET B 91 -6.748 -6.288 5.887 1.00 1.51 C ATOM 2566 O MET B 91 -7.666 -5.794 5.260 1.00 1.51 O ATOM 2567 CB MET B 91 -4.346 -6.325 5.143 1.00 1.28 C ATOM 2568 CG MET B 91 -4.085 -5.523 3.867 1.00 1.11 C ATOM 2569 SD MET B 91 -2.960 -6.449 2.793 1.00 1.14 S ATOM 2570 CE MET B 91 -1.449 -6.155 3.743 1.00 1.08 C ATOM 0 H MET B 91 -4.018 -6.188 7.515 1.00 1.46 H new ATOM 0 HA MET B 91 -5.514 -4.571 5.664 1.00 1.36 H new ATOM 0 HB2 MET B 91 -3.421 -6.440 5.708 1.00 1.28 H new ATOM 0 HB3 MET B 91 -4.693 -7.327 4.891 1.00 1.28 H new ATOM 0 HG2 MET B 91 -5.024 -5.329 3.348 1.00 1.11 H new ATOM 0 HG3 MET B 91 -3.652 -4.554 4.116 1.00 1.11 H new ATOM 0 HE1 MET B 91 -0.757 -5.557 3.150 1.00 1.08 H new ATOM 0 HE2 MET B 91 -1.695 -5.622 4.661 1.00 1.08 H new ATOM 0 HE3 MET B 91 -0.984 -7.109 3.991 1.00 1.08 H new ATOM 2580 N LEU B 92 -6.877 -7.412 6.538 1.00 1.66 N ATOM 2581 CA LEU B 92 -8.172 -8.140 6.530 1.00 1.83 C ATOM 2582 C LEU B 92 -9.218 -7.263 7.190 1.00 1.90 C ATOM 2583 O LEU B 92 -10.321 -7.120 6.695 1.00 1.96 O ATOM 2584 CB LEU B 92 -7.906 -9.408 7.319 1.00 1.97 C ATOM 2585 CG LEU B 92 -6.889 -10.223 6.535 1.00 1.93 C ATOM 2586 CD1 LEU B 92 -6.037 -11.060 7.494 1.00 2.03 C ATOM 2587 CD2 LEU B 92 -7.620 -11.145 5.553 1.00 2.02 C ATOM 0 H LEU B 92 -6.135 -7.858 7.077 1.00 1.66 H new ATOM 0 HA LEU B 92 -8.542 -8.381 5.534 1.00 1.83 H new ATOM 0 HB2 LEU B 92 -7.525 -9.170 8.312 1.00 1.97 H new ATOM 0 HB3 LEU B 92 -8.827 -9.974 7.459 1.00 1.97 H new ATOM 0 HG LEU B 92 -6.238 -9.547 5.982 1.00 1.93 H new ATOM 0 HD11 LEU B 92 -5.312 -11.640 6.924 1.00 2.03 H new ATOM 0 HD12 LEU B 92 -5.512 -10.400 8.184 1.00 2.03 H new ATOM 0 HD13 LEU B 92 -6.681 -11.736 8.057 1.00 2.03 H new ATOM 0 HD21 LEU B 92 -6.891 -11.729 4.991 1.00 2.02 H new ATOM 0 HD22 LEU B 92 -8.276 -11.818 6.105 1.00 2.02 H new ATOM 0 HD23 LEU B 92 -8.213 -10.545 4.863 1.00 2.02 H new ATOM 2599 N ASN B 93 -8.856 -6.628 8.280 1.00 1.91 N ATOM 2600 CA ASN B 93 -9.809 -5.700 8.950 1.00 2.00 C ATOM 2601 C ASN B 93 -10.279 -4.678 7.913 1.00 1.91 C ATOM 2602 O ASN B 93 -11.365 -4.137 8.000 1.00 2.01 O ATOM 2603 CB ASN B 93 -9.004 -5.020 10.061 1.00 2.00 C ATOM 2604 CG ASN B 93 -9.791 -5.076 11.373 1.00 2.22 C ATOM 2605 OD1 ASN B 93 -10.621 -4.228 11.633 1.00 2.43 O ATOM 2606 ND2 ASN B 93 -9.562 -6.046 12.216 1.00 2.47 N ATOM 0 H ASN B 93 -7.945 -6.715 8.730 1.00 1.91 H new ATOM 0 HA ASN B 93 -10.686 -6.200 9.361 1.00 2.00 H new ATOM 0 HB2 ASN B 93 -8.041 -5.516 10.182 1.00 2.00 H new ATOM 0 HB3 ASN B 93 -8.798 -3.984 9.793 1.00 2.00 H new ATOM 0 HD21 ASN B 93 -10.080 -6.092 13.093 1.00 2.47 H new ATOM 0 HD22 ASN B 93 -8.865 -6.758 11.997 1.00 2.47 H new ATOM 2613 N ILE B 94 -9.457 -4.432 6.914 1.00 1.74 N ATOM 2614 CA ILE B 94 -9.842 -3.468 5.842 1.00 1.66 C ATOM 2615 C ILE B 94 -10.666 -4.177 4.763 1.00 1.72 C ATOM 2616 O ILE B 94 -11.591 -3.601 4.221 1.00 1.78 O ATOM 2617 CB ILE B 94 -8.538 -2.934 5.225 1.00 1.46 C ATOM 2618 CG1 ILE B 94 -7.457 -2.782 6.303 1.00 1.42 C ATOM 2619 CG2 ILE B 94 -8.814 -1.574 4.576 1.00 1.41 C ATOM 2620 CD1 ILE B 94 -6.379 -1.793 5.843 1.00 1.30 C ATOM 0 H ILE B 94 -8.538 -4.860 6.800 1.00 1.74 H new ATOM 0 HA ILE B 94 -10.445 -2.659 6.253 1.00 1.66 H new ATOM 0 HB ILE B 94 -8.181 -3.640 4.475 1.00 1.46 H new ATOM 0 HG12 ILE B 94 -7.907 -2.433 7.232 1.00 1.42 H new ATOM 0 HG13 ILE B 94 -7.005 -3.751 6.513 1.00 1.42 H new ATOM 0 HG21 ILE B 94 -7.895 -1.188 4.136 1.00 1.41 H new ATOM 0 HG22 ILE B 94 -9.569 -1.689 3.798 1.00 1.41 H new ATOM 0 HG23 ILE B 94 -9.175 -0.877 5.332 1.00 1.41 H new ATOM 0 HD11 ILE B 94 -5.619 -1.696 6.619 1.00 1.30 H new ATOM 0 HD12 ILE B 94 -5.917 -2.159 4.926 1.00 1.30 H new ATOM 0 HD13 ILE B 94 -6.834 -0.820 5.657 1.00 1.30 H new ATOM 2632 N LEU B 95 -10.342 -5.413 4.422 1.00 1.72 N ATOM 2633 CA LEU B 95 -11.139 -6.096 3.349 1.00 1.81 C ATOM 2634 C LEU B 95 -12.243 -6.980 3.945 1.00 2.02 C ATOM 2635 O LEU B 95 -12.821 -7.800 3.257 1.00 2.12 O ATOM 2636 CB LEU B 95 -10.139 -6.926 2.537 1.00 1.73 C ATOM 2637 CG LEU B 95 -9.434 -7.936 3.439 1.00 1.76 C ATOM 2638 CD1 LEU B 95 -9.924 -9.348 3.115 1.00 1.93 C ATOM 2639 CD2 LEU B 95 -7.923 -7.856 3.198 1.00 1.60 C ATOM 0 H LEU B 95 -9.583 -5.960 4.829 1.00 1.72 H new ATOM 0 HA LEU B 95 -11.649 -5.368 2.719 1.00 1.81 H new ATOM 0 HB2 LEU B 95 -10.657 -7.447 1.732 1.00 1.73 H new ATOM 0 HB3 LEU B 95 -9.404 -6.269 2.071 1.00 1.73 H new ATOM 0 HG LEU B 95 -9.656 -7.708 4.482 1.00 1.76 H new ATOM 0 HD11 LEU B 95 -9.418 -10.066 3.761 1.00 1.93 H new ATOM 0 HD12 LEU B 95 -11.000 -9.407 3.280 1.00 1.93 H new ATOM 0 HD13 LEU B 95 -9.703 -9.579 2.073 1.00 1.93 H new ATOM 0 HD21 LEU B 95 -7.414 -8.575 3.839 1.00 1.60 H new ATOM 0 HD22 LEU B 95 -7.708 -8.085 2.154 1.00 1.60 H new ATOM 0 HD23 LEU B 95 -7.570 -6.851 3.429 1.00 1.60 H new ATOM 2651 N ASN B 96 -12.556 -6.805 5.208 1.00 2.10 N ATOM 2652 CA ASN B 96 -13.645 -7.622 5.835 1.00 2.31 C ATOM 2653 C ASN B 96 -14.793 -6.715 6.290 1.00 2.42 C ATOM 2654 O ASN B 96 -15.913 -7.158 6.460 1.00 2.59 O ATOM 2655 CB ASN B 96 -13.006 -8.306 7.042 1.00 2.35 C ATOM 2656 CG ASN B 96 -12.274 -9.567 6.583 1.00 2.35 C ATOM 2657 OD1 ASN B 96 -11.086 -9.822 7.052 1.00 2.53 O flip ATOM 2658 ND2 ASN B 96 -12.790 -10.329 5.790 1.00 2.30 N flip ATOM 0 H ASN B 96 -12.106 -6.134 5.830 1.00 2.10 H new ATOM 0 HA ASN B 96 -14.060 -8.345 5.133 1.00 2.31 H new ATOM 0 HB2 ASN B 96 -12.309 -7.626 7.532 1.00 2.35 H new ATOM 0 HB3 ASN B 96 -13.771 -8.563 7.775 1.00 2.35 H new ATOM 0 HD21 ASN B 96 -13.720 -10.130 5.423 1.00 2.30 H new ATOM 0 HD22 ASN B 96 -12.293 -11.168 5.492 1.00 2.30 H new