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+ 158:sc= -0.0572 (180deg=-0.307) USER MOD Single : A 48 MET CE :methyl -165:sc= -3.32! (180deg=-4.67!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.17 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 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.466 (180deg=0.165) USER MOD Single : A 75 SER OG : rot 170:sc= -1.75 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1.11 K(o=1.1,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -123:sc= -0.287 (180deg=-2!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.04 F(o=-2.4!,f=-1) USER MOD Single : B 45 LYS NZ :NH3+ 159:sc= -0.0371 (180deg=-0.234) USER MOD Single : B 48 MET CE :methyl -164:sc= -3.53! (180deg=-4.59!) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.158 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 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ 154:sc= 0.457 (180deg=0.183) USER MOD Single : B 75 SER OG : rot 170:sc= -1.74 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 1.09 K(o=1.1,f=-2.1!) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -120:sc= -0.284 (180deg=-1.99!) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.05 F(o=-2.4!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -1.804 -18.248 -7.619 1.00 0.43 N ATOM 358 CA PRO A 43 -1.373 -17.527 -6.405 1.00 0.38 C ATOM 359 C PRO A 43 -2.251 -16.296 -6.154 1.00 0.33 C ATOM 360 O PRO A 43 -2.713 -16.070 -5.052 1.00 0.34 O ATOM 361 CB PRO A 43 0.055 -17.112 -6.739 1.00 0.41 C ATOM 362 CG PRO A 43 0.123 -17.048 -8.239 1.00 0.45 C ATOM 363 CD PRO A 43 -1.067 -17.792 -8.802 1.00 0.46 C ATOM 0 HA PRO A 43 -1.447 -18.132 -5.501 1.00 0.38 H new ATOM 0 HB2 PRO A 43 0.295 -16.146 -6.295 1.00 0.41 H new ATOM 0 HB3 PRO A 43 0.773 -17.831 -6.345 1.00 0.41 H new ATOM 0 HG2 PRO A 43 0.116 -16.011 -8.575 1.00 0.45 H new ATOM 0 HG3 PRO A 43 1.052 -17.493 -8.596 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -1.681 -17.144 -9.428 1.00 0.46 H new ATOM 0 HD3 PRO A 43 -0.754 -18.631 -9.423 1.00 0.46 H new ATOM 371 N LEU A 44 -2.464 -15.491 -7.168 1.00 0.33 N ATOM 372 CA LEU A 44 -3.293 -14.253 -7.009 1.00 0.31 C ATOM 373 C LEU A 44 -2.717 -13.355 -5.907 1.00 0.27 C ATOM 374 O LEU A 44 -3.369 -12.444 -5.435 1.00 0.31 O ATOM 375 CB LEU A 44 -4.699 -14.730 -6.630 1.00 0.36 C ATOM 376 CG LEU A 44 -5.663 -13.539 -6.685 1.00 0.45 C ATOM 377 CD1 LEU A 44 -6.913 -13.922 -7.480 1.00 0.84 C ATOM 378 CD2 LEU A 44 -6.068 -13.132 -5.262 1.00 0.74 C ATOM 0 H LEU A 44 -2.096 -15.640 -8.107 1.00 0.33 H new ATOM 0 HA LEU A 44 -3.305 -13.664 -7.926 1.00 0.31 H new ATOM 0 HB2 LEU A 44 -5.028 -15.512 -7.314 1.00 0.36 H new ATOM 0 HB3 LEU A 44 -4.693 -15.163 -5.630 1.00 0.36 H new ATOM 0 HG LEU A 44 -5.166 -12.701 -7.173 1.00 0.45 H new ATOM 0 HD11 LEU A 44 -7.595 -13.073 -7.517 1.00 0.84 H new ATOM 0 HD12 LEU A 44 -6.628 -14.202 -8.494 1.00 0.84 H new ATOM 0 HD13 LEU A 44 -7.408 -14.764 -6.997 1.00 0.84 H new ATOM 0 HD21 LEU A 44 -6.753 -12.285 -5.307 1.00 0.74 H new ATOM 0 HD22 LEU A 44 -6.560 -13.971 -4.770 1.00 0.74 H new ATOM 0 HD23 LEU A 44 -5.179 -12.850 -4.697 1.00 0.74 H new ATOM 390 N LYS A 45 -1.495 -13.596 -5.507 1.00 0.27 N ATOM 391 CA LYS A 45 -0.870 -12.750 -4.448 1.00 0.26 C ATOM 392 C LYS A 45 -0.186 -11.547 -5.096 1.00 0.26 C ATOM 393 O LYS A 45 -0.100 -10.490 -4.514 1.00 0.32 O ATOM 394 CB LYS A 45 0.151 -13.657 -3.751 1.00 0.30 C ATOM 395 CG LYS A 45 1.271 -14.036 -4.725 1.00 0.32 C ATOM 396 CD LYS A 45 2.159 -15.111 -4.093 1.00 0.37 C ATOM 397 CE LYS A 45 1.337 -16.380 -3.847 1.00 0.39 C ATOM 398 NZ LYS A 45 1.174 -16.453 -2.368 1.00 0.49 N ATOM 0 H LYS A 45 -0.903 -14.343 -5.869 1.00 0.27 H new ATOM 0 HA LYS A 45 -1.598 -12.361 -3.736 1.00 0.26 H new ATOM 0 HB2 LYS A 45 0.570 -13.147 -2.884 1.00 0.30 H new ATOM 0 HB3 LYS A 45 -0.342 -14.557 -3.384 1.00 0.30 H new ATOM 0 HG2 LYS A 45 0.846 -14.404 -5.659 1.00 0.32 H new ATOM 0 HG3 LYS A 45 1.866 -13.157 -4.971 1.00 0.32 H new ATOM 0 HD2 LYS A 45 3.001 -15.333 -4.749 1.00 0.37 H new ATOM 0 HD3 LYS A 45 2.574 -14.747 -3.153 1.00 0.37 H new ATOM 0 HE2 LYS A 45 0.371 -16.328 -4.348 1.00 0.39 H new ATOM 0 HE3 LYS A 45 1.848 -17.262 -4.232 1.00 0.39 H new ATOM 0 HZ1 LYS A 45 0.348 -17.042 -2.138 1.00 0.49 H new ATOM 0 HZ2 LYS A 45 2.027 -16.872 -1.945 1.00 0.49 H new ATOM 0 HZ3 LYS A 45 1.034 -15.496 -1.987 1.00 0.49 H new ATOM 412 N LEU A 46 0.294 -11.718 -6.305 1.00 0.25 N ATOM 413 CA LEU A 46 0.979 -10.608 -7.049 1.00 0.27 C ATOM 414 C LEU A 46 0.358 -9.236 -6.726 1.00 0.26 C ATOM 415 O LEU A 46 1.060 -8.265 -6.500 1.00 0.30 O ATOM 416 CB LEU A 46 0.749 -10.952 -8.528 1.00 0.29 C ATOM 417 CG LEU A 46 2.060 -11.398 -9.185 1.00 0.54 C ATOM 418 CD1 LEU A 46 3.103 -10.280 -9.087 1.00 0.74 C ATOM 419 CD2 LEU A 46 2.584 -12.656 -8.486 1.00 0.69 C ATOM 0 H LEU A 46 0.239 -12.597 -6.819 1.00 0.25 H new ATOM 0 HA LEU A 46 2.033 -10.532 -6.780 1.00 0.27 H new ATOM 0 HB2 LEU A 46 0.005 -11.744 -8.612 1.00 0.29 H new ATOM 0 HB3 LEU A 46 0.350 -10.083 -9.052 1.00 0.29 H new ATOM 0 HG LEU A 46 1.874 -11.619 -10.236 1.00 0.54 H new ATOM 0 HD11 LEU A 46 4.031 -10.606 -9.556 1.00 0.74 H new ATOM 0 HD12 LEU A 46 2.732 -9.391 -9.596 1.00 0.74 H new ATOM 0 HD13 LEU A 46 3.289 -10.047 -8.039 1.00 0.74 H new ATOM 0 HD21 LEU A 46 3.516 -12.971 -8.955 1.00 0.69 H new ATOM 0 HD22 LEU A 46 2.763 -12.439 -7.433 1.00 0.69 H new ATOM 0 HD23 LEU A 46 1.847 -13.454 -8.572 1.00 0.69 H new ATOM 431 N PHE A 47 -0.951 -9.157 -6.688 1.00 0.25 N ATOM 432 CA PHE A 47 -1.621 -7.860 -6.377 1.00 0.27 C ATOM 433 C PHE A 47 -1.523 -7.597 -4.880 1.00 0.26 C ATOM 434 O PHE A 47 -1.153 -6.523 -4.445 1.00 0.32 O ATOM 435 CB PHE A 47 -3.081 -8.056 -6.808 1.00 0.30 C ATOM 436 CG PHE A 47 -3.962 -7.032 -6.129 1.00 0.30 C ATOM 437 CD1 PHE A 47 -3.663 -5.669 -6.236 1.00 0.34 C ATOM 438 CD2 PHE A 47 -5.074 -7.448 -5.386 1.00 0.35 C ATOM 439 CE1 PHE A 47 -4.476 -4.723 -5.601 1.00 0.40 C ATOM 440 CE2 PHE A 47 -5.885 -6.502 -4.750 1.00 0.40 C ATOM 441 CZ PHE A 47 -5.586 -5.140 -4.857 1.00 0.41 C ATOM 0 H PHE A 47 -1.583 -9.939 -6.860 1.00 0.25 H new ATOM 0 HA PHE A 47 -1.169 -7.009 -6.887 1.00 0.27 H new ATOM 0 HB2 PHE A 47 -3.165 -7.960 -7.890 1.00 0.30 H new ATOM 0 HB3 PHE A 47 -3.413 -9.062 -6.550 1.00 0.30 H new ATOM 0 HD1 PHE A 47 -2.805 -5.347 -6.808 1.00 0.34 H new ATOM 0 HD2 PHE A 47 -5.306 -8.500 -5.304 1.00 0.35 H new ATOM 0 HE1 PHE A 47 -4.247 -3.671 -5.685 1.00 0.40 H new ATOM 0 HE2 PHE A 47 -6.742 -6.823 -4.176 1.00 0.40 H new ATOM 0 HZ PHE A 47 -6.212 -4.410 -4.365 1.00 0.41 H new ATOM 451 N MET A 48 -1.845 -8.586 -4.096 1.00 0.25 N ATOM 452 CA MET A 48 -1.771 -8.435 -2.620 1.00 0.28 C ATOM 453 C MET A 48 -0.347 -8.069 -2.205 1.00 0.26 C ATOM 454 O MET A 48 -0.122 -7.058 -1.577 1.00 0.29 O ATOM 455 CB MET A 48 -2.156 -9.808 -2.069 1.00 0.35 C ATOM 456 CG MET A 48 -3.095 -9.632 -0.880 1.00 0.54 C ATOM 457 SD MET A 48 -4.785 -10.076 -1.355 1.00 0.48 S ATOM 458 CE MET A 48 -4.928 -8.942 -2.757 1.00 0.50 C ATOM 0 H MET A 48 -2.159 -9.501 -4.419 1.00 0.25 H new ATOM 0 HA MET A 48 -2.424 -7.647 -2.245 1.00 0.28 H new ATOM 0 HB2 MET A 48 -2.641 -10.400 -2.845 1.00 0.35 H new ATOM 0 HB3 MET A 48 -1.263 -10.353 -1.763 1.00 0.35 H new ATOM 0 HG2 MET A 48 -2.766 -10.257 -0.050 1.00 0.54 H new ATOM 0 HG3 MET A 48 -3.065 -8.599 -0.532 1.00 0.54 H new ATOM 0 HE1 MET A 48 -5.975 -8.848 -3.044 1.00 0.50 H new ATOM 0 HE2 MET A 48 -4.540 -7.963 -2.474 1.00 0.50 H new ATOM 0 HE3 MET A 48 -4.355 -9.330 -3.599 1.00 0.50 H new ATOM 468 N ALA A 49 0.611 -8.887 -2.561 1.00 0.28 N ATOM 469 CA ALA A 49 2.035 -8.607 -2.201 1.00 0.31 C ATOM 470 C ALA A 49 2.434 -7.192 -2.631 1.00 0.30 C ATOM 471 O ALA A 49 3.060 -6.467 -1.880 1.00 0.35 O ATOM 472 CB ALA A 49 2.852 -9.648 -2.970 1.00 0.37 C ATOM 0 H ALA A 49 0.466 -9.746 -3.091 1.00 0.28 H new ATOM 0 HA ALA A 49 2.201 -8.666 -1.125 1.00 0.31 H new ATOM 0 HB1 ALA A 49 3.912 -9.508 -2.758 1.00 0.37 H new ATOM 0 HB2 ALA A 49 2.549 -10.649 -2.661 1.00 0.37 H new ATOM 0 HB3 ALA A 49 2.678 -9.530 -4.039 1.00 0.37 H new ATOM 478 N LEU A 50 2.080 -6.792 -3.830 1.00 0.30 N ATOM 479 CA LEU A 50 2.449 -5.420 -4.293 1.00 0.33 C ATOM 480 C LEU A 50 1.866 -4.360 -3.350 1.00 0.29 C ATOM 481 O LEU A 50 2.596 -3.615 -2.718 1.00 0.33 O ATOM 482 CB LEU A 50 1.847 -5.286 -5.692 1.00 0.38 C ATOM 483 CG LEU A 50 2.491 -4.099 -6.412 1.00 0.53 C ATOM 484 CD1 LEU A 50 3.997 -4.337 -6.553 1.00 0.98 C ATOM 485 CD2 LEU A 50 1.867 -3.950 -7.802 1.00 1.04 C ATOM 0 H LEU A 50 1.556 -7.353 -4.502 1.00 0.30 H new ATOM 0 HA LEU A 50 3.529 -5.272 -4.303 1.00 0.33 H new ATOM 0 HB2 LEU A 50 2.011 -6.202 -6.260 1.00 0.38 H new ATOM 0 HB3 LEU A 50 0.769 -5.142 -5.623 1.00 0.38 H new ATOM 0 HG LEU A 50 2.322 -3.190 -5.835 1.00 0.53 H new ATOM 0 HD11 LEU A 50 4.453 -3.490 -7.066 1.00 0.98 H new ATOM 0 HD12 LEU A 50 4.443 -4.445 -5.564 1.00 0.98 H new ATOM 0 HD13 LEU A 50 4.169 -5.246 -7.129 1.00 0.98 H new ATOM 0 HD21 LEU A 50 2.324 -3.105 -8.317 1.00 1.04 H new ATOM 0 HD22 LEU A 50 2.037 -4.860 -8.377 1.00 1.04 H new ATOM 0 HD23 LEU A 50 0.795 -3.778 -7.703 1.00 1.04 H new ATOM 497 N VAL A 51 0.561 -4.286 -3.247 1.00 0.27 N ATOM 498 CA VAL A 51 -0.059 -3.277 -2.346 1.00 0.27 C ATOM 499 C VAL A 51 0.397 -3.517 -0.902 1.00 0.25 C ATOM 500 O VAL A 51 0.551 -2.587 -0.137 1.00 0.28 O ATOM 501 CB VAL A 51 -1.569 -3.474 -2.504 1.00 0.29 C ATOM 502 CG1 VAL A 51 -2.306 -2.527 -1.565 1.00 0.40 C ATOM 503 CG2 VAL A 51 -1.973 -3.165 -3.949 1.00 0.41 C ATOM 0 H VAL A 51 -0.097 -4.882 -3.749 1.00 0.27 H new ATOM 0 HA VAL A 51 0.230 -2.255 -2.593 1.00 0.27 H new ATOM 0 HB VAL A 51 -1.828 -4.505 -2.262 1.00 0.29 H new ATOM 0 HG11 VAL A 51 -3.381 -2.667 -1.677 1.00 0.40 H new ATOM 0 HG12 VAL A 51 -2.018 -2.739 -0.535 1.00 0.40 H new ATOM 0 HG13 VAL A 51 -2.047 -1.497 -1.810 1.00 0.40 H new ATOM 0 HG21 VAL A 51 -3.048 -3.305 -4.064 1.00 0.41 H new ATOM 0 HG22 VAL A 51 -1.714 -2.133 -4.187 1.00 0.41 H new ATOM 0 HG23 VAL A 51 -1.445 -3.837 -4.626 1.00 0.41 H new ATOM 513 N ALA A 52 0.630 -4.753 -0.531 1.00 0.25 N ATOM 514 CA ALA A 52 1.096 -5.047 0.860 1.00 0.26 C ATOM 515 C ALA A 52 2.476 -4.427 1.074 1.00 0.26 C ATOM 516 O ALA A 52 2.714 -3.756 2.059 1.00 0.29 O ATOM 517 CB ALA A 52 1.172 -6.572 0.962 1.00 0.31 C ATOM 0 H ALA A 52 0.518 -5.570 -1.131 1.00 0.25 H new ATOM 0 HA ALA A 52 0.426 -4.635 1.615 1.00 0.26 H new ATOM 0 HB1 ALA A 52 1.508 -6.854 1.960 1.00 0.31 H new ATOM 0 HB2 ALA A 52 0.186 -6.999 0.777 1.00 0.31 H new ATOM 0 HB3 ALA A 52 1.876 -6.952 0.221 1.00 0.31 H new ATOM 523 N PHE A 53 3.378 -4.633 0.141 1.00 0.28 N ATOM 524 CA PHE A 53 4.745 -4.037 0.263 1.00 0.30 C ATOM 525 C PHE A 53 4.603 -2.534 0.510 1.00 0.29 C ATOM 526 O PHE A 53 5.075 -1.998 1.501 1.00 0.32 O ATOM 527 CB PHE A 53 5.416 -4.310 -1.087 1.00 0.34 C ATOM 528 CG PHE A 53 6.754 -3.612 -1.150 1.00 0.35 C ATOM 529 CD1 PHE A 53 7.704 -3.821 -0.144 1.00 0.41 C ATOM 530 CD2 PHE A 53 7.042 -2.753 -2.218 1.00 0.52 C ATOM 531 CE1 PHE A 53 8.943 -3.171 -0.206 1.00 0.44 C ATOM 532 CE2 PHE A 53 8.279 -2.103 -2.279 1.00 0.57 C ATOM 533 CZ PHE A 53 9.230 -2.312 -1.273 1.00 0.46 C ATOM 0 H PHE A 53 3.224 -5.189 -0.700 1.00 0.28 H new ATOM 0 HA PHE A 53 5.328 -4.453 1.085 1.00 0.30 H new ATOM 0 HB2 PHE A 53 5.550 -5.383 -1.226 1.00 0.34 H new ATOM 0 HB3 PHE A 53 4.776 -3.961 -1.898 1.00 0.34 H new ATOM 0 HD1 PHE A 53 7.482 -4.483 0.680 1.00 0.41 H new ATOM 0 HD2 PHE A 53 6.309 -2.592 -2.995 1.00 0.52 H new ATOM 0 HE1 PHE A 53 9.677 -3.333 0.570 1.00 0.44 H new ATOM 0 HE2 PHE A 53 8.501 -1.440 -3.102 1.00 0.57 H new ATOM 0 HZ PHE A 53 10.185 -1.810 -1.320 1.00 0.46 H new ATOM 543 N LEU A 54 3.916 -1.857 -0.371 1.00 0.29 N ATOM 544 CA LEU A 54 3.701 -0.398 -0.179 1.00 0.30 C ATOM 545 C LEU A 54 2.972 -0.180 1.152 1.00 0.28 C ATOM 546 O LEU A 54 3.250 0.754 1.875 1.00 0.32 O ATOM 547 CB LEU A 54 2.832 0.037 -1.364 1.00 0.31 C ATOM 548 CG LEU A 54 3.722 0.410 -2.555 1.00 0.34 C ATOM 549 CD1 LEU A 54 4.624 1.588 -2.178 1.00 0.40 C ATOM 550 CD2 LEU A 54 4.590 -0.789 -2.947 1.00 0.42 C ATOM 0 H LEU A 54 3.496 -2.252 -1.213 1.00 0.29 H new ATOM 0 HA LEU A 54 4.628 0.175 -0.144 1.00 0.30 H new ATOM 0 HB2 LEU A 54 2.154 -0.769 -1.644 1.00 0.31 H new ATOM 0 HB3 LEU A 54 2.214 0.889 -1.080 1.00 0.31 H new ATOM 0 HG LEU A 54 3.090 0.692 -3.397 1.00 0.34 H new ATOM 0 HD11 LEU A 54 5.255 1.850 -3.028 1.00 0.40 H new ATOM 0 HD12 LEU A 54 4.008 2.445 -1.906 1.00 0.40 H new ATOM 0 HD13 LEU A 54 5.252 1.309 -1.332 1.00 0.40 H new ATOM 0 HD21 LEU A 54 5.221 -0.520 -3.794 1.00 0.42 H new ATOM 0 HD22 LEU A 54 5.218 -1.075 -2.103 1.00 0.42 H new ATOM 0 HD23 LEU A 54 3.950 -1.627 -3.223 1.00 0.42 H new ATOM 562 N ARG A 55 2.057 -1.063 1.484 1.00 0.26 N ATOM 563 CA ARG A 55 1.312 -0.938 2.776 1.00 0.25 C ATOM 564 C ARG A 55 2.225 -1.280 3.960 1.00 0.25 C ATOM 565 O ARG A 55 1.857 -1.110 5.107 1.00 0.31 O ATOM 566 CB ARG A 55 0.159 -1.939 2.680 1.00 0.26 C ATOM 567 CG ARG A 55 -0.825 -1.698 3.828 1.00 0.28 C ATOM 568 CD ARG A 55 -0.616 -2.752 4.918 1.00 0.32 C ATOM 569 NE ARG A 55 -1.173 -2.137 6.155 1.00 0.32 N ATOM 570 CZ ARG A 55 -0.518 -2.223 7.279 1.00 0.29 C ATOM 571 NH1 ARG A 55 0.589 -1.550 7.444 1.00 0.30 N ATOM 572 NH2 ARG A 55 -0.969 -2.981 8.241 1.00 0.33 N ATOM 0 H ARG A 55 1.795 -1.866 0.913 1.00 0.26 H new ATOM 0 HA ARG A 55 0.953 0.078 2.939 1.00 0.25 H new ATOM 0 HB2 ARG A 55 -0.350 -1.832 1.722 1.00 0.26 H new ATOM 0 HB3 ARG A 55 0.544 -2.958 2.725 1.00 0.26 H new ATOM 0 HG2 ARG A 55 -0.679 -0.700 4.241 1.00 0.28 H new ATOM 0 HG3 ARG A 55 -1.849 -1.743 3.457 1.00 0.28 H new ATOM 0 HD2 ARG A 55 -1.130 -3.682 4.673 1.00 0.32 H new ATOM 0 HD3 ARG A 55 0.440 -2.993 5.037 1.00 0.32 H new ATOM 0 HE ARG A 55 -2.068 -1.648 6.123 1.00 0.32 H new ATOM 0 HH11 ARG A 55 0.942 -0.956 6.693 1.00 0.30 H new ATOM 0 HH12 ARG A 55 1.101 -1.618 8.324 1.00 0.30 H new ATOM 0 HH21 ARG A 55 -1.834 -3.506 8.114 1.00 0.33 H new ATOM 0 HH22 ARG A 55 -0.456 -3.048 9.120 1.00 0.33 H new ATOM 586 N PHE A 56 3.414 -1.754 3.695 1.00 0.27 N ATOM 587 CA PHE A 56 4.346 -2.091 4.807 1.00 0.29 C ATOM 588 C PHE A 56 5.339 -0.947 5.015 1.00 0.31 C ATOM 589 O PHE A 56 5.928 -0.816 6.071 1.00 0.33 O ATOM 590 CB PHE A 56 5.092 -3.349 4.352 1.00 0.33 C ATOM 591 CG PHE A 56 4.189 -4.572 4.391 1.00 0.37 C ATOM 592 CD1 PHE A 56 2.843 -4.477 4.792 1.00 0.40 C ATOM 593 CD2 PHE A 56 4.716 -5.815 4.020 1.00 0.55 C ATOM 594 CE1 PHE A 56 2.038 -5.623 4.816 1.00 0.48 C ATOM 595 CE2 PHE A 56 3.909 -6.958 4.047 1.00 0.68 C ATOM 596 CZ PHE A 56 2.571 -6.863 4.444 1.00 0.60 C ATOM 0 H PHE A 56 3.778 -1.922 2.757 1.00 0.27 H new ATOM 0 HA PHE A 56 3.817 -2.250 5.747 1.00 0.29 H new ATOM 0 HB2 PHE A 56 5.469 -3.205 3.339 1.00 0.33 H new ATOM 0 HB3 PHE A 56 5.958 -3.513 4.994 1.00 0.33 H new ATOM 0 HD1 PHE A 56 2.431 -3.521 5.081 1.00 0.40 H new ATOM 0 HD2 PHE A 56 5.748 -5.892 3.712 1.00 0.55 H new ATOM 0 HE1 PHE A 56 1.005 -5.550 5.122 1.00 0.48 H new ATOM 0 HE2 PHE A 56 4.320 -7.915 3.761 1.00 0.68 H new ATOM 0 HZ PHE A 56 1.949 -7.746 4.464 1.00 0.60 H new ATOM 606 N LEU A 57 5.550 -0.134 4.005 1.00 0.31 N ATOM 607 CA LEU A 57 6.538 0.983 4.143 1.00 0.34 C ATOM 608 C LEU A 57 5.854 2.355 4.267 1.00 0.35 C ATOM 609 O LEU A 57 6.325 3.212 4.990 1.00 0.40 O ATOM 610 CB LEU A 57 7.389 0.926 2.868 1.00 0.41 C ATOM 611 CG LEU A 57 7.762 -0.529 2.544 1.00 0.40 C ATOM 612 CD1 LEU A 57 8.595 -0.574 1.259 1.00 0.51 C ATOM 613 CD2 LEU A 57 8.570 -1.133 3.701 1.00 0.44 C ATOM 0 H LEU A 57 5.085 -0.195 3.099 1.00 0.31 H new ATOM 0 HA LEU A 57 7.130 0.866 5.051 1.00 0.34 H new ATOM 0 HB2 LEU A 57 6.838 1.362 2.035 1.00 0.41 H new ATOM 0 HB3 LEU A 57 8.293 1.521 2.999 1.00 0.41 H new ATOM 0 HG LEU A 57 6.849 -1.107 2.405 1.00 0.40 H new ATOM 0 HD11 LEU A 57 8.858 -1.607 1.032 1.00 0.51 H new ATOM 0 HD12 LEU A 57 8.016 -0.157 0.435 1.00 0.51 H new ATOM 0 HD13 LEU A 57 9.505 0.011 1.395 1.00 0.51 H new ATOM 0 HD21 LEU A 57 8.830 -2.164 3.463 1.00 0.44 H new ATOM 0 HD22 LEU A 57 9.481 -0.554 3.850 1.00 0.44 H new ATOM 0 HD23 LEU A 57 7.973 -1.110 4.613 1.00 0.44 H new ATOM 625 N THR A 58 4.771 2.588 3.562 1.00 0.35 N ATOM 626 CA THR A 58 4.106 3.932 3.649 1.00 0.39 C ATOM 627 C THR A 58 2.575 3.836 3.521 1.00 0.37 C ATOM 628 O THR A 58 1.872 4.798 3.766 1.00 0.42 O ATOM 629 CB THR A 58 4.689 4.720 2.476 1.00 0.45 C ATOM 630 OG1 THR A 58 6.103 4.768 2.596 1.00 0.82 O ATOM 631 CG2 THR A 58 4.126 6.139 2.483 1.00 0.80 C ATOM 0 H THR A 58 4.323 1.917 2.938 1.00 0.35 H new ATOM 0 HA THR A 58 4.287 4.402 4.616 1.00 0.39 H new ATOM 0 HB THR A 58 4.420 4.231 1.540 1.00 0.45 H new ATOM 0 HG1 THR A 58 6.478 5.272 1.844 1.00 0.82 H new ATOM 0 HG21 THR A 58 4.542 6.700 1.646 1.00 0.80 H new ATOM 0 HG22 THR A 58 3.041 6.100 2.390 1.00 0.80 H new ATOM 0 HG23 THR A 58 4.392 6.631 3.418 1.00 0.80 H new ATOM 639 N ILE A 59 2.059 2.694 3.143 1.00 0.33 N ATOM 640 CA ILE A 59 0.579 2.525 2.996 1.00 0.32 C ATOM 641 C ILE A 59 -0.029 3.609 2.087 1.00 0.33 C ATOM 642 O ILE A 59 -0.869 4.379 2.514 1.00 0.37 O ATOM 643 CB ILE A 59 0.018 2.619 4.416 1.00 0.35 C ATOM 644 CG1 ILE A 59 0.657 1.541 5.292 1.00 0.36 C ATOM 645 CG2 ILE A 59 -1.499 2.398 4.385 1.00 0.40 C ATOM 646 CD1 ILE A 59 1.989 2.046 5.849 1.00 0.38 C ATOM 0 H ILE A 59 2.606 1.861 2.927 1.00 0.33 H new ATOM 0 HA ILE A 59 0.333 1.574 2.524 1.00 0.32 H new ATOM 0 HB ILE A 59 0.240 3.606 4.823 1.00 0.35 H new ATOM 0 HG12 ILE A 59 -0.014 1.280 6.110 1.00 0.36 H new ATOM 0 HG13 ILE A 59 0.817 0.634 4.709 1.00 0.36 H new ATOM 0 HG21 ILE A 59 -1.897 2.465 5.397 1.00 0.40 H new ATOM 0 HG22 ILE A 59 -1.965 3.160 3.760 1.00 0.40 H new ATOM 0 HG23 ILE A 59 -1.715 1.411 3.975 1.00 0.40 H new ATOM 0 HD11 ILE A 59 2.439 1.273 6.472 1.00 0.38 H new ATOM 0 HD12 ILE A 59 2.661 2.285 5.025 1.00 0.38 H new ATOM 0 HD13 ILE A 59 1.817 2.941 6.448 1.00 0.38 H new ATOM 658 N PRO A 60 0.400 3.617 0.849 1.00 0.34 N ATOM 659 CA PRO A 60 -0.114 4.557 -0.159 1.00 0.37 C ATOM 660 C PRO A 60 -1.055 3.810 -1.136 1.00 0.36 C ATOM 661 O PRO A 60 -0.757 3.719 -2.314 1.00 0.39 O ATOM 662 CB PRO A 60 1.175 4.950 -0.882 1.00 0.43 C ATOM 663 CG PRO A 60 2.113 3.779 -0.685 1.00 0.42 C ATOM 664 CD PRO A 60 1.436 2.798 0.250 1.00 0.36 C ATOM 0 HA PRO A 60 -0.681 5.395 0.247 1.00 0.37 H new ATOM 0 HB2 PRO A 60 0.992 5.134 -1.941 1.00 0.43 H new ATOM 0 HB3 PRO A 60 1.596 5.866 -0.467 1.00 0.43 H new ATOM 0 HG2 PRO A 60 2.338 3.304 -1.640 1.00 0.42 H new ATOM 0 HG3 PRO A 60 3.061 4.115 -0.265 1.00 0.42 H new ATOM 0 HD2 PRO A 60 1.022 1.944 -0.285 1.00 0.36 H new ATOM 0 HD3 PRO A 60 2.126 2.403 0.996 1.00 0.36 H new ATOM 672 N PRO A 61 -2.150 3.274 -0.634 1.00 0.34 N ATOM 673 CA PRO A 61 -3.079 2.523 -1.514 1.00 0.34 C ATOM 674 C PRO A 61 -3.780 3.473 -2.482 1.00 0.34 C ATOM 675 O PRO A 61 -4.620 4.263 -2.095 1.00 0.39 O ATOM 676 CB PRO A 61 -4.071 1.886 -0.550 1.00 0.37 C ATOM 677 CG PRO A 61 -4.034 2.754 0.659 1.00 0.38 C ATOM 678 CD PRO A 61 -2.636 3.313 0.751 1.00 0.38 C ATOM 0 HA PRO A 61 -2.573 1.781 -2.132 1.00 0.34 H new ATOM 0 HB2 PRO A 61 -5.072 1.848 -0.980 1.00 0.37 H new ATOM 0 HB3 PRO A 61 -3.788 0.861 -0.310 1.00 0.37 H new ATOM 0 HG2 PRO A 61 -4.767 3.557 0.581 1.00 0.38 H new ATOM 0 HG3 PRO A 61 -4.281 2.182 1.553 1.00 0.38 H new ATOM 0 HD2 PRO A 61 -2.637 4.329 1.146 1.00 0.38 H new ATOM 0 HD3 PRO A 61 -2.009 2.715 1.412 1.00 0.38 H new ATOM 686 N THR A 62 -3.432 3.400 -3.740 1.00 0.33 N ATOM 687 CA THR A 62 -4.062 4.294 -4.755 1.00 0.33 C ATOM 688 C THR A 62 -5.589 4.115 -4.742 1.00 0.33 C ATOM 689 O THR A 62 -6.103 3.167 -4.183 1.00 0.34 O ATOM 690 CB THR A 62 -3.433 3.864 -6.093 1.00 0.34 C ATOM 691 OG1 THR A 62 -2.696 4.952 -6.631 1.00 0.38 O ATOM 692 CG2 THR A 62 -4.511 3.440 -7.093 1.00 0.37 C ATOM 0 H THR A 62 -2.734 2.755 -4.110 1.00 0.33 H new ATOM 0 HA THR A 62 -3.889 5.353 -4.563 1.00 0.33 H new ATOM 0 HB THR A 62 -2.776 3.014 -5.912 1.00 0.34 H new ATOM 0 HG1 THR A 62 -2.291 4.684 -7.482 1.00 0.38 H new ATOM 0 HG21 THR A 62 -4.041 3.141 -8.030 1.00 0.37 H new ATOM 0 HG22 THR A 62 -5.075 2.601 -6.686 1.00 0.37 H new ATOM 0 HG23 THR A 62 -5.186 4.276 -7.277 1.00 0.37 H new ATOM 700 N ALA A 63 -6.305 5.032 -5.348 1.00 0.36 N ATOM 701 CA ALA A 63 -7.802 4.956 -5.380 1.00 0.39 C ATOM 702 C ALA A 63 -8.286 3.564 -5.805 1.00 0.37 C ATOM 703 O ALA A 63 -9.189 3.006 -5.210 1.00 0.39 O ATOM 704 CB ALA A 63 -8.225 6.000 -6.413 1.00 0.46 C ATOM 0 H ALA A 63 -5.911 5.841 -5.828 1.00 0.36 H new ATOM 0 HA ALA A 63 -8.231 5.140 -4.395 1.00 0.39 H new ATOM 0 HB1 ALA A 63 -9.312 6.009 -6.498 1.00 0.46 H new ATOM 0 HB2 ALA A 63 -7.878 6.984 -6.099 1.00 0.46 H new ATOM 0 HB3 ALA A 63 -7.788 5.753 -7.380 1.00 0.46 H new ATOM 710 N GLY A 64 -7.700 3.009 -6.834 1.00 0.36 N ATOM 711 CA GLY A 64 -8.127 1.661 -7.314 1.00 0.37 C ATOM 712 C GLY A 64 -8.007 0.630 -6.189 1.00 0.33 C ATOM 713 O GLY A 64 -8.887 -0.174 -5.994 1.00 0.33 O ATOM 0 H GLY A 64 -6.940 3.434 -7.365 1.00 0.36 H new ATOM 0 HA2 GLY A 64 -9.157 1.704 -7.668 1.00 0.37 H new ATOM 0 HA3 GLY A 64 -7.511 1.358 -8.161 1.00 0.37 H new ATOM 717 N ILE A 65 -6.923 0.643 -5.458 1.00 0.32 N ATOM 718 CA ILE A 65 -6.739 -0.345 -4.347 1.00 0.30 C ATOM 719 C ILE A 65 -7.958 -0.346 -3.417 1.00 0.29 C ATOM 720 O ILE A 65 -8.389 -1.385 -2.957 1.00 0.30 O ATOM 721 CB ILE A 65 -5.482 0.123 -3.599 1.00 0.31 C ATOM 722 CG1 ILE A 65 -4.282 0.139 -4.555 1.00 0.34 C ATOM 723 CG2 ILE A 65 -5.184 -0.828 -2.435 1.00 0.32 C ATOM 724 CD1 ILE A 65 -4.196 -1.195 -5.303 1.00 0.34 C ATOM 0 H ILE A 65 -6.151 1.298 -5.582 1.00 0.32 H new ATOM 0 HA ILE A 65 -6.634 -1.364 -4.719 1.00 0.30 H new ATOM 0 HB ILE A 65 -5.656 1.128 -3.214 1.00 0.31 H new ATOM 0 HG12 ILE A 65 -4.383 0.959 -5.266 1.00 0.34 H new ATOM 0 HG13 ILE A 65 -3.362 0.313 -3.996 1.00 0.34 H new ATOM 0 HG21 ILE A 65 -4.291 -0.490 -1.909 1.00 0.32 H new ATOM 0 HG22 ILE A 65 -6.029 -0.837 -1.747 1.00 0.32 H new ATOM 0 HG23 ILE A 65 -5.019 -1.834 -2.820 1.00 0.32 H new ATOM 0 HD11 ILE A 65 -3.342 -1.178 -5.980 1.00 0.34 H new ATOM 0 HD12 ILE A 65 -4.074 -2.007 -4.586 1.00 0.34 H new ATOM 0 HD13 ILE A 65 -5.110 -1.351 -5.876 1.00 0.34 H new ATOM 736 N LEU A 66 -8.519 0.807 -3.145 1.00 0.31 N ATOM 737 CA LEU A 66 -9.713 0.863 -2.247 1.00 0.33 C ATOM 738 C LEU A 66 -10.985 0.549 -3.039 1.00 0.33 C ATOM 739 O LEU A 66 -11.783 -0.277 -2.638 1.00 0.37 O ATOM 740 CB LEU A 66 -9.760 2.299 -1.705 1.00 0.39 C ATOM 741 CG LEU A 66 -8.590 2.560 -0.741 1.00 0.41 C ATOM 742 CD1 LEU A 66 -8.407 1.378 0.218 1.00 0.50 C ATOM 743 CD2 LEU A 66 -7.306 2.768 -1.545 1.00 0.44 C ATOM 0 H LEU A 66 -8.203 1.708 -3.504 1.00 0.31 H new ATOM 0 HA LEU A 66 -9.647 0.133 -1.440 1.00 0.33 H new ATOM 0 HB2 LEU A 66 -9.719 3.006 -2.533 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -10.706 2.467 -1.190 1.00 0.39 H new ATOM 0 HG LEU A 66 -8.810 3.453 -0.156 1.00 0.41 H new ATOM 0 HD11 LEU A 66 -7.575 1.582 0.892 1.00 0.50 H new ATOM 0 HD12 LEU A 66 -9.318 1.237 0.799 1.00 0.50 H new ATOM 0 HD13 LEU A 66 -8.198 0.474 -0.354 1.00 0.50 H new ATOM 0 HD21 LEU A 66 -6.476 2.953 -0.863 1.00 0.44 H new ATOM 0 HD22 LEU A 66 -7.098 1.876 -2.136 1.00 0.44 H new ATOM 0 HD23 LEU A 66 -7.427 3.623 -2.210 1.00 0.44 H new ATOM 755 N LYS A 67 -11.177 1.199 -4.161 1.00 0.34 N ATOM 756 CA LYS A 67 -12.398 0.934 -4.984 1.00 0.36 C ATOM 757 C LYS A 67 -12.444 -0.546 -5.372 1.00 0.34 C ATOM 758 O LYS A 67 -13.496 -1.157 -5.411 1.00 0.39 O ATOM 759 CB LYS A 67 -12.241 1.809 -6.229 1.00 0.41 C ATOM 760 CG LYS A 67 -12.802 3.206 -5.948 1.00 0.45 C ATOM 761 CD LYS A 67 -14.332 3.152 -5.931 1.00 0.48 C ATOM 762 CE LYS A 67 -14.854 2.922 -7.351 1.00 0.56 C ATOM 763 NZ LYS A 67 -15.989 1.969 -7.192 1.00 0.61 N ATOM 0 H LYS A 67 -10.542 1.900 -4.542 1.00 0.34 H new ATOM 0 HA LYS A 67 -13.320 1.160 -4.448 1.00 0.36 H new ATOM 0 HB2 LYS A 67 -11.189 1.877 -6.508 1.00 0.41 H new ATOM 0 HB3 LYS A 67 -12.765 1.358 -7.072 1.00 0.41 H new ATOM 0 HG2 LYS A 67 -12.430 3.572 -4.991 1.00 0.45 H new ATOM 0 HG3 LYS A 67 -12.461 3.906 -6.711 1.00 0.45 H new ATOM 0 HD2 LYS A 67 -14.670 2.351 -5.274 1.00 0.48 H new ATOM 0 HD3 LYS A 67 -14.734 4.083 -5.531 1.00 0.48 H new ATOM 0 HE2 LYS A 67 -15.183 3.856 -7.807 1.00 0.56 H new ATOM 0 HE3 LYS A 67 -14.078 2.508 -7.995 1.00 0.56 H new ATOM 0 HZ1 LYS A 67 -16.401 1.761 -8.124 1.00 0.61 H new ATOM 0 HZ2 LYS A 67 -15.644 1.087 -6.761 1.00 0.61 H new ATOM 0 HZ3 LYS A 67 -16.715 2.393 -6.579 1.00 0.61 H new ATOM 777 N ARG A 68 -11.302 -1.120 -5.645 1.00 0.31 N ATOM 778 CA ARG A 68 -11.246 -2.561 -6.018 1.00 0.30 C ATOM 779 C ARG A 68 -11.341 -3.417 -4.749 1.00 0.29 C ATOM 780 O ARG A 68 -11.833 -4.528 -4.771 1.00 0.33 O ATOM 781 CB ARG A 68 -9.893 -2.734 -6.738 1.00 0.31 C ATOM 782 CG ARG A 68 -8.778 -3.077 -5.743 1.00 0.32 C ATOM 783 CD ARG A 68 -7.473 -3.312 -6.508 1.00 0.33 C ATOM 784 NE ARG A 68 -7.539 -4.738 -6.937 1.00 0.36 N ATOM 785 CZ ARG A 68 -7.497 -5.046 -8.206 1.00 0.36 C ATOM 786 NH1 ARG A 68 -8.059 -4.266 -9.090 1.00 0.42 N ATOM 787 NH2 ARG A 68 -6.893 -6.138 -8.591 1.00 0.41 N ATOM 0 H ARG A 68 -10.399 -0.647 -5.625 1.00 0.31 H new ATOM 0 HA ARG A 68 -12.067 -2.875 -6.663 1.00 0.30 H new ATOM 0 HB2 ARG A 68 -9.973 -3.524 -7.485 1.00 0.31 H new ATOM 0 HB3 ARG A 68 -9.641 -1.817 -7.270 1.00 0.31 H new ATOM 0 HG2 ARG A 68 -8.652 -2.265 -5.026 1.00 0.32 H new ATOM 0 HG3 ARG A 68 -9.044 -3.967 -5.173 1.00 0.32 H new ATOM 0 HD2 ARG A 68 -7.390 -2.644 -7.365 1.00 0.33 H new ATOM 0 HD3 ARG A 68 -6.604 -3.128 -5.876 1.00 0.33 H new ATOM 0 HE ARG A 68 -7.617 -5.476 -6.237 1.00 0.36 H new ATOM 0 HH11 ARG A 68 -8.532 -3.414 -8.790 1.00 0.42 H new ATOM 0 HH12 ARG A 68 -8.024 -4.509 -10.080 1.00 0.42 H new ATOM 0 HH21 ARG A 68 -6.455 -6.749 -7.901 1.00 0.41 H new ATOM 0 HH22 ARG A 68 -6.859 -6.380 -9.581 1.00 0.41 H new ATOM 801 N TRP A 69 -10.872 -2.885 -3.646 1.00 0.28 N ATOM 802 CA TRP A 69 -10.915 -3.617 -2.339 1.00 0.27 C ATOM 803 C TRP A 69 -12.284 -4.269 -2.101 1.00 0.27 C ATOM 804 O TRP A 69 -12.374 -5.344 -1.537 1.00 0.30 O ATOM 805 CB TRP A 69 -10.689 -2.521 -1.302 1.00 0.29 C ATOM 806 CG TRP A 69 -10.090 -3.089 -0.061 1.00 0.27 C ATOM 807 CD1 TRP A 69 -10.666 -3.033 1.159 1.00 0.30 C ATOM 808 CD2 TRP A 69 -8.816 -3.780 0.117 1.00 0.27 C ATOM 809 NE1 TRP A 69 -9.832 -3.638 2.075 1.00 0.31 N ATOM 810 CE2 TRP A 69 -8.682 -4.113 1.486 1.00 0.29 C ATOM 811 CE3 TRP A 69 -7.772 -4.148 -0.757 1.00 0.28 C ATOM 812 CZ2 TRP A 69 -7.561 -4.778 1.971 1.00 0.31 C ATOM 813 CZ3 TRP A 69 -6.642 -4.819 -0.266 1.00 0.31 C ATOM 814 CH2 TRP A 69 -6.540 -5.130 1.095 1.00 0.32 C ATOM 0 H TRP A 69 -10.453 -1.956 -3.595 1.00 0.28 H new ATOM 0 HA TRP A 69 -10.180 -4.421 -2.301 1.00 0.27 H new ATOM 0 HB2 TRP A 69 -10.031 -1.755 -1.712 1.00 0.29 H new ATOM 0 HB3 TRP A 69 -11.636 -2.035 -1.066 1.00 0.29 H new ATOM 0 HD1 TRP A 69 -11.624 -2.587 1.381 1.00 0.30 H new ATOM 0 HE1 TRP A 69 -10.042 -3.723 3.070 1.00 0.31 H new ATOM 0 HE3 TRP A 69 -7.843 -3.912 -1.809 1.00 0.28 H new ATOM 0 HZ2 TRP A 69 -7.484 -5.019 3.021 1.00 0.31 H new ATOM 0 HZ3 TRP A 69 -5.847 -5.097 -0.942 1.00 0.31 H new ATOM 0 HH2 TRP A 69 -5.666 -5.645 1.466 1.00 0.32 H new ATOM 825 N GLY A 70 -13.345 -3.615 -2.505 1.00 0.28 N ATOM 826 CA GLY A 70 -14.711 -4.181 -2.281 1.00 0.30 C ATOM 827 C GLY A 70 -15.321 -4.665 -3.598 1.00 0.29 C ATOM 828 O GLY A 70 -16.516 -4.562 -3.805 1.00 0.34 O ATOM 0 H GLY A 70 -13.324 -2.713 -2.981 1.00 0.28 H new ATOM 0 HA2 GLY A 70 -14.655 -5.009 -1.575 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -15.355 -3.424 -1.834 1.00 0.30 H new ATOM 832 N THR A 71 -14.521 -5.202 -4.484 1.00 0.28 N ATOM 833 CA THR A 71 -15.075 -5.701 -5.779 1.00 0.31 C ATOM 834 C THR A 71 -14.158 -6.771 -6.387 1.00 0.30 C ATOM 835 O THR A 71 -14.207 -7.035 -7.574 1.00 0.40 O ATOM 836 CB THR A 71 -15.171 -4.461 -6.682 1.00 0.40 C ATOM 837 OG1 THR A 71 -16.205 -4.657 -7.636 1.00 0.43 O ATOM 838 CG2 THR A 71 -13.847 -4.223 -7.413 1.00 0.48 C ATOM 0 H THR A 71 -13.514 -5.316 -4.368 1.00 0.28 H new ATOM 0 HA THR A 71 -16.047 -6.177 -5.653 1.00 0.31 H new ATOM 0 HB THR A 71 -15.391 -3.591 -6.063 1.00 0.40 H new ATOM 0 HG1 THR A 71 -16.271 -3.868 -8.213 1.00 0.43 H new ATOM 0 HG21 THR A 71 -13.935 -3.341 -8.047 1.00 0.48 H new ATOM 0 HG22 THR A 71 -13.052 -4.068 -6.684 1.00 0.48 H new ATOM 0 HG23 THR A 71 -13.610 -5.091 -8.029 1.00 0.48 H new ATOM 846 N ILE A 72 -13.332 -7.395 -5.582 1.00 0.28 N ATOM 847 CA ILE A 72 -12.424 -8.453 -6.114 1.00 0.31 C ATOM 848 C ILE A 72 -12.977 -9.842 -5.757 1.00 0.32 C ATOM 849 O ILE A 72 -14.125 -10.139 -6.030 1.00 0.43 O ATOM 850 CB ILE A 72 -11.060 -8.190 -5.462 1.00 0.33 C ATOM 851 CG1 ILE A 72 -11.181 -8.276 -3.939 1.00 0.33 C ATOM 852 CG2 ILE A 72 -10.560 -6.798 -5.856 1.00 0.42 C ATOM 853 CD1 ILE A 72 -9.896 -8.882 -3.369 1.00 0.31 C ATOM 0 H ILE A 72 -13.249 -7.216 -4.581 1.00 0.28 H new ATOM 0 HA ILE A 72 -12.339 -8.428 -7.200 1.00 0.31 H new ATOM 0 HB ILE A 72 -10.352 -8.943 -5.808 1.00 0.33 H new ATOM 0 HG12 ILE A 72 -11.348 -7.284 -3.518 1.00 0.33 H new ATOM 0 HG13 ILE A 72 -12.040 -8.888 -3.664 1.00 0.33 H new ATOM 0 HG21 ILE A 72 -9.591 -6.614 -5.391 1.00 0.42 H new ATOM 0 HG22 ILE A 72 -10.459 -6.741 -6.940 1.00 0.42 H new ATOM 0 HG23 ILE A 72 -11.273 -6.046 -5.518 1.00 0.42 H new ATOM 0 HD11 ILE A 72 -9.974 -8.947 -2.284 1.00 0.31 H new ATOM 0 HD12 ILE A 72 -9.750 -9.880 -3.782 1.00 0.31 H new ATOM 0 HD13 ILE A 72 -9.047 -8.251 -3.635 1.00 0.31 H new ATOM 865 N LYS A 73 -12.177 -10.698 -5.168 1.00 0.32 N ATOM 866 CA LYS A 73 -12.663 -12.067 -4.818 1.00 0.34 C ATOM 867 C LYS A 73 -12.691 -12.282 -3.311 1.00 0.32 C ATOM 868 O LYS A 73 -13.559 -12.956 -2.793 1.00 0.37 O ATOM 869 CB LYS A 73 -11.638 -13.005 -5.444 1.00 0.40 C ATOM 870 CG LYS A 73 -12.116 -14.447 -5.309 1.00 0.47 C ATOM 871 CD LYS A 73 -12.712 -14.920 -6.638 1.00 0.57 C ATOM 872 CE LYS A 73 -13.967 -15.754 -6.369 1.00 0.67 C ATOM 873 NZ LYS A 73 -15.100 -14.796 -6.503 1.00 0.65 N ATOM 0 H LYS A 73 -11.208 -10.506 -4.915 1.00 0.32 H new ATOM 0 HA LYS A 73 -13.679 -12.232 -5.176 1.00 0.34 H new ATOM 0 HB2 LYS A 73 -11.496 -12.755 -6.495 1.00 0.40 H new ATOM 0 HB3 LYS A 73 -10.672 -12.884 -4.954 1.00 0.40 H new ATOM 0 HG2 LYS A 73 -11.284 -15.091 -5.023 1.00 0.47 H new ATOM 0 HG3 LYS A 73 -12.862 -14.520 -4.518 1.00 0.47 H new ATOM 0 HD2 LYS A 73 -12.960 -14.062 -7.263 1.00 0.57 H new ATOM 0 HD3 LYS A 73 -11.980 -15.513 -7.186 1.00 0.57 H new ATOM 0 HE2 LYS A 73 -14.057 -16.574 -7.082 1.00 0.67 H new ATOM 0 HE3 LYS A 73 -13.941 -16.198 -5.374 1.00 0.67 H new ATOM 0 HZ1 LYS A 73 -15.997 -15.293 -6.332 1.00 0.65 H new ATOM 0 HZ2 LYS A 73 -14.991 -14.030 -5.808 1.00 0.65 H new ATOM 0 HZ3 LYS A 73 -15.104 -14.395 -7.462 1.00 0.65 H new ATOM 887 N LYS A 74 -11.721 -11.743 -2.623 1.00 0.28 N ATOM 888 CA LYS A 74 -11.610 -11.914 -1.139 1.00 0.29 C ATOM 889 C LYS A 74 -11.179 -13.344 -0.807 1.00 0.31 C ATOM 890 O LYS A 74 -10.265 -13.555 -0.035 1.00 0.32 O ATOM 891 CB LYS A 74 -12.986 -11.624 -0.513 1.00 0.33 C ATOM 892 CG LYS A 74 -13.649 -10.391 -1.137 1.00 0.30 C ATOM 893 CD LYS A 74 -12.651 -9.246 -1.287 1.00 0.26 C ATOM 894 CE LYS A 74 -12.539 -8.514 0.044 1.00 0.31 C ATOM 895 NZ LYS A 74 -13.675 -7.551 0.052 1.00 0.28 N ATOM 0 H LYS A 74 -10.980 -11.176 -3.036 1.00 0.28 H new ATOM 0 HA LYS A 74 -10.864 -11.227 -0.740 1.00 0.29 H new ATOM 0 HB2 LYS A 74 -13.634 -12.490 -0.644 1.00 0.33 H new ATOM 0 HB3 LYS A 74 -12.872 -11.471 0.560 1.00 0.33 H new ATOM 0 HG2 LYS A 74 -14.059 -10.650 -2.113 1.00 0.30 H new ATOM 0 HG3 LYS A 74 -14.485 -10.070 -0.515 1.00 0.30 H new ATOM 0 HD2 LYS A 74 -11.677 -9.632 -1.589 1.00 0.26 H new ATOM 0 HD3 LYS A 74 -12.978 -8.560 -2.068 1.00 0.26 H new ATOM 0 HE2 LYS A 74 -12.604 -9.208 0.882 1.00 0.31 H new ATOM 0 HE3 LYS A 74 -11.583 -7.997 0.131 1.00 0.31 H new ATOM 0 HZ1 LYS A 74 -13.965 -7.364 1.033 1.00 0.28 H new ATOM 0 HZ2 LYS A 74 -13.379 -6.661 -0.397 1.00 0.28 H new ATOM 0 HZ3 LYS A 74 -14.476 -7.955 -0.474 1.00 0.28 H new ATOM 909 N SER A 75 -11.821 -14.328 -1.387 1.00 0.35 N ATOM 910 CA SER A 75 -11.441 -15.743 -1.099 1.00 0.38 C ATOM 911 C SER A 75 -9.982 -15.969 -1.485 1.00 0.34 C ATOM 912 O SER A 75 -9.215 -16.536 -0.734 1.00 0.37 O ATOM 913 CB SER A 75 -12.373 -16.598 -1.960 1.00 0.44 C ATOM 914 OG SER A 75 -12.026 -16.449 -3.330 1.00 0.45 O ATOM 0 H SER A 75 -12.591 -14.211 -2.046 1.00 0.35 H new ATOM 0 HA SER A 75 -11.538 -15.995 -0.043 1.00 0.38 H new ATOM 0 HB2 SER A 75 -12.297 -17.645 -1.667 1.00 0.44 H new ATOM 0 HB3 SER A 75 -13.409 -16.297 -1.802 1.00 0.44 H new ATOM 0 HG SER A 75 -12.510 -17.113 -3.864 1.00 0.45 H new ATOM 920 N LYS A 76 -9.597 -15.514 -2.648 1.00 0.33 N ATOM 921 CA LYS A 76 -8.186 -15.683 -3.091 1.00 0.31 C ATOM 922 C LYS A 76 -7.284 -14.696 -2.343 1.00 0.29 C ATOM 923 O LYS A 76 -6.127 -14.972 -2.094 1.00 0.32 O ATOM 924 CB LYS A 76 -8.201 -15.382 -4.590 1.00 0.34 C ATOM 925 CG LYS A 76 -8.869 -16.542 -5.338 1.00 0.57 C ATOM 926 CD LYS A 76 -7.927 -17.069 -6.424 1.00 0.55 C ATOM 927 CE LYS A 76 -6.656 -17.631 -5.777 1.00 0.60 C ATOM 928 NZ LYS A 76 -6.725 -19.101 -6.007 1.00 0.52 N ATOM 0 H LYS A 76 -10.203 -15.031 -3.311 1.00 0.33 H new ATOM 0 HA LYS A 76 -7.800 -16.682 -2.887 1.00 0.31 H new ATOM 0 HB2 LYS A 76 -8.740 -14.454 -4.780 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -7.183 -15.239 -4.953 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -9.118 -17.342 -4.640 1.00 0.57 H new ATOM 0 HG3 LYS A 76 -9.805 -16.207 -5.786 1.00 0.57 H new ATOM 0 HD2 LYS A 76 -8.425 -17.845 -7.005 1.00 0.55 H new ATOM 0 HD3 LYS A 76 -7.670 -16.267 -7.117 1.00 0.55 H new ATOM 0 HE2 LYS A 76 -5.761 -17.202 -6.228 1.00 0.60 H new ATOM 0 HE3 LYS A 76 -6.619 -17.399 -4.713 1.00 0.60 H new ATOM 0 HZ1 LYS A 76 -5.888 -19.557 -5.592 1.00 0.52 H new ATOM 0 HZ2 LYS A 76 -7.584 -19.482 -5.561 1.00 0.52 H new ATOM 0 HZ3 LYS A 76 -6.752 -19.292 -7.029 1.00 0.52 H new ATOM 942 N ALA A 77 -7.813 -13.552 -1.976 1.00 0.28 N ATOM 943 CA ALA A 77 -6.993 -12.544 -1.233 1.00 0.27 C ATOM 944 C ALA A 77 -6.785 -13.004 0.209 1.00 0.28 C ATOM 945 O ALA A 77 -5.672 -13.083 0.692 1.00 0.32 O ATOM 946 CB ALA A 77 -7.813 -11.253 -1.254 1.00 0.29 C ATOM 0 H ALA A 77 -8.777 -13.274 -2.159 1.00 0.28 H new ATOM 0 HA ALA A 77 -6.010 -12.409 -1.683 1.00 0.27 H new ATOM 0 HB1 ALA A 77 -7.271 -10.469 -0.726 1.00 0.29 H new ATOM 0 HB2 ALA A 77 -7.981 -10.946 -2.286 1.00 0.29 H new ATOM 0 HB3 ALA A 77 -8.772 -11.423 -0.765 1.00 0.29 H new ATOM 952 N ILE A 78 -7.856 -13.307 0.896 1.00 0.27 N ATOM 953 CA ILE A 78 -7.738 -13.765 2.310 1.00 0.29 C ATOM 954 C ILE A 78 -6.882 -15.033 2.370 1.00 0.31 C ATOM 955 O ILE A 78 -6.037 -15.174 3.235 1.00 0.35 O ATOM 956 CB ILE A 78 -9.178 -14.028 2.763 1.00 0.31 C ATOM 957 CG1 ILE A 78 -9.952 -12.704 2.743 1.00 0.30 C ATOM 958 CG2 ILE A 78 -9.178 -14.601 4.184 1.00 0.37 C ATOM 959 CD1 ILE A 78 -11.438 -12.965 2.479 1.00 0.32 C ATOM 0 H ILE A 78 -8.809 -13.256 0.536 1.00 0.27 H new ATOM 0 HA ILE A 78 -7.253 -13.034 2.957 1.00 0.29 H new ATOM 0 HB ILE A 78 -9.650 -14.745 2.092 1.00 0.31 H new ATOM 0 HG12 ILE A 78 -9.829 -12.188 3.695 1.00 0.30 H new ATOM 0 HG13 ILE A 78 -9.547 -12.049 1.971 1.00 0.30 H new ATOM 0 HG21 ILE A 78 -10.204 -14.786 4.502 1.00 0.37 H new ATOM 0 HG22 ILE A 78 -8.619 -15.537 4.199 1.00 0.37 H new ATOM 0 HG23 ILE A 78 -8.711 -13.888 4.864 1.00 0.37 H new ATOM 0 HD11 ILE A 78 -11.977 -12.018 2.467 1.00 0.32 H new ATOM 0 HD12 ILE A 78 -11.555 -13.461 1.516 1.00 0.32 H new ATOM 0 HD13 ILE A 78 -11.841 -13.602 3.266 1.00 0.32 H new ATOM 971 N ASN A 79 -7.065 -15.940 1.440 1.00 0.30 N ATOM 972 CA ASN A 79 -6.226 -17.175 1.435 1.00 0.32 C ATOM 973 C ASN A 79 -4.776 -16.770 1.176 1.00 0.32 C ATOM 974 O ASN A 79 -3.852 -17.314 1.751 1.00 0.36 O ATOM 975 CB ASN A 79 -6.759 -18.037 0.290 1.00 0.35 C ATOM 976 CG ASN A 79 -7.834 -18.986 0.823 1.00 0.38 C ATOM 977 OD1 ASN A 79 -7.596 -19.729 1.754 1.00 0.49 O ATOM 978 ND2 ASN A 79 -9.015 -18.994 0.270 1.00 0.41 N ATOM 0 H ASN A 79 -7.754 -15.878 0.691 1.00 0.30 H new ATOM 0 HA ASN A 79 -6.266 -17.720 2.378 1.00 0.32 H new ATOM 0 HB2 ASN A 79 -7.174 -17.403 -0.493 1.00 0.35 H new ATOM 0 HB3 ASN A 79 -5.946 -18.607 -0.159 1.00 0.35 H new ATOM 0 HD21 ASN A 79 -9.737 -19.624 0.619 1.00 0.41 H new ATOM 0 HD22 ASN A 79 -9.216 -18.371 -0.512 1.00 0.41 H new ATOM 985 N VAL A 80 -4.584 -15.792 0.324 1.00 0.30 N ATOM 986 CA VAL A 80 -3.207 -15.306 0.027 1.00 0.31 C ATOM 987 C VAL A 80 -2.605 -14.722 1.307 1.00 0.30 C ATOM 988 O VAL A 80 -1.513 -15.078 1.709 1.00 0.33 O ATOM 989 CB VAL A 80 -3.394 -14.224 -1.049 1.00 0.32 C ATOM 990 CG1 VAL A 80 -2.487 -13.025 -0.765 1.00 0.33 C ATOM 991 CG2 VAL A 80 -3.046 -14.807 -2.420 1.00 0.39 C ATOM 0 H VAL A 80 -5.328 -15.309 -0.179 1.00 0.30 H new ATOM 0 HA VAL A 80 -2.534 -16.090 -0.320 1.00 0.31 H new ATOM 0 HB VAL A 80 -4.432 -13.892 -1.037 1.00 0.32 H new ATOM 0 HG11 VAL A 80 -2.632 -12.268 -1.536 1.00 0.33 H new ATOM 0 HG12 VAL A 80 -2.736 -12.603 0.209 1.00 0.33 H new ATOM 0 HG13 VAL A 80 -1.446 -13.348 -0.765 1.00 0.33 H new ATOM 0 HG21 VAL A 80 -3.178 -14.042 -3.185 1.00 0.39 H new ATOM 0 HG22 VAL A 80 -2.010 -15.145 -2.419 1.00 0.39 H new ATOM 0 HG23 VAL A 80 -3.702 -15.651 -2.634 1.00 0.39 H new ATOM 1001 N LEU A 81 -3.324 -13.834 1.953 1.00 0.29 N ATOM 1002 CA LEU A 81 -2.813 -13.228 3.219 1.00 0.30 C ATOM 1003 C LEU A 81 -2.514 -14.337 4.227 1.00 0.31 C ATOM 1004 O LEU A 81 -1.555 -14.269 4.973 1.00 0.33 O ATOM 1005 CB LEU A 81 -3.939 -12.321 3.717 1.00 0.31 C ATOM 1006 CG LEU A 81 -3.502 -10.857 3.591 1.00 0.43 C ATOM 1007 CD1 LEU A 81 -4.097 -10.252 2.317 1.00 0.89 C ATOM 1008 CD2 LEU A 81 -3.992 -10.067 4.807 1.00 0.39 C ATOM 0 H LEU A 81 -4.242 -13.504 1.656 1.00 0.29 H new ATOM 0 HA LEU A 81 -1.891 -12.665 3.075 1.00 0.30 H new ATOM 0 HB2 LEU A 81 -4.845 -12.494 3.136 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -4.177 -12.554 4.755 1.00 0.31 H new ATOM 0 HG LEU A 81 -2.414 -10.809 3.542 1.00 0.43 H new ATOM 0 HD11 LEU A 81 -3.786 -9.211 2.229 1.00 0.89 H new ATOM 0 HD12 LEU A 81 -3.745 -10.811 1.450 1.00 0.89 H new ATOM 0 HD13 LEU A 81 -5.185 -10.302 2.364 1.00 0.89 H new ATOM 0 HD21 LEU A 81 -3.680 -9.027 4.715 1.00 0.39 H new ATOM 0 HD22 LEU A 81 -5.080 -10.116 4.859 1.00 0.39 H new ATOM 0 HD23 LEU A 81 -3.566 -10.495 5.715 1.00 0.39 H new ATOM 1020 N ARG A 82 -3.314 -15.372 4.229 1.00 0.33 N ATOM 1021 CA ARG A 82 -3.060 -16.506 5.161 1.00 0.37 C ATOM 1022 C ARG A 82 -1.802 -17.238 4.693 1.00 0.35 C ATOM 1023 O ARG A 82 -0.954 -17.615 5.482 1.00 0.36 O ATOM 1024 CB ARG A 82 -4.289 -17.409 5.046 1.00 0.40 C ATOM 1025 CG ARG A 82 -4.307 -18.405 6.211 1.00 0.43 C ATOM 1026 CD ARG A 82 -5.487 -18.096 7.136 1.00 0.47 C ATOM 1027 NE ARG A 82 -6.519 -19.115 6.798 1.00 0.49 N ATOM 1028 CZ ARG A 82 -7.182 -19.027 5.677 1.00 0.47 C ATOM 1029 NH1 ARG A 82 -8.096 -18.107 5.529 1.00 0.56 N ATOM 1030 NH2 ARG A 82 -6.929 -19.858 4.702 1.00 0.51 N ATOM 0 H ARG A 82 -4.130 -15.479 3.626 1.00 0.33 H new ATOM 0 HA ARG A 82 -2.905 -16.190 6.193 1.00 0.37 H new ATOM 0 HB2 ARG A 82 -5.197 -16.807 5.055 1.00 0.40 H new ATOM 0 HB3 ARG A 82 -4.272 -17.945 4.097 1.00 0.40 H new ATOM 0 HG2 ARG A 82 -4.388 -19.423 5.830 1.00 0.43 H new ATOM 0 HG3 ARG A 82 -3.371 -18.346 6.767 1.00 0.43 H new ATOM 0 HD2 ARG A 82 -5.195 -18.163 8.184 1.00 0.47 H new ATOM 0 HD3 ARG A 82 -5.862 -17.086 6.973 1.00 0.47 H new ATOM 0 HE ARG A 82 -6.708 -19.882 7.443 1.00 0.49 H new ATOM 0 HH11 ARG A 82 -8.292 -17.456 6.290 1.00 0.56 H new ATOM 0 HH12 ARG A 82 -8.614 -18.039 4.653 1.00 0.56 H new ATOM 0 HH21 ARG A 82 -6.213 -20.576 4.816 1.00 0.51 H new ATOM 0 HH22 ARG A 82 -7.447 -19.789 3.826 1.00 0.51 H new ATOM 1044 N GLY A 83 -1.673 -17.414 3.400 1.00 0.36 N ATOM 1045 CA GLY A 83 -0.469 -18.093 2.847 1.00 0.37 C ATOM 1046 C GLY A 83 0.756 -17.244 3.174 1.00 0.34 C ATOM 1047 O GLY A 83 1.821 -17.758 3.459 1.00 0.37 O ATOM 0 H GLY A 83 -2.356 -17.114 2.704 1.00 0.36 H new ATOM 0 HA2 GLY A 83 -0.365 -19.090 3.276 1.00 0.37 H new ATOM 0 HA3 GLY A 83 -0.566 -18.219 1.769 1.00 0.37 H new ATOM 1051 N PHE A 84 0.603 -15.940 3.157 1.00 0.33 N ATOM 1052 CA PHE A 84 1.749 -15.048 3.491 1.00 0.32 C ATOM 1053 C PHE A 84 2.168 -15.312 4.935 1.00 0.31 C ATOM 1054 O PHE A 84 3.341 -15.404 5.245 1.00 0.31 O ATOM 1055 CB PHE A 84 1.220 -13.617 3.339 1.00 0.33 C ATOM 1056 CG PHE A 84 1.335 -13.153 1.909 1.00 0.32 C ATOM 1057 CD1 PHE A 84 2.492 -13.419 1.166 1.00 0.43 C ATOM 1058 CD2 PHE A 84 0.281 -12.439 1.330 1.00 0.31 C ATOM 1059 CE1 PHE A 84 2.587 -12.972 -0.154 1.00 0.49 C ATOM 1060 CE2 PHE A 84 0.380 -11.992 0.014 1.00 0.35 C ATOM 1061 CZ PHE A 84 1.531 -12.259 -0.728 1.00 0.43 C ATOM 0 H PHE A 84 -0.267 -15.460 2.926 1.00 0.33 H new ATOM 0 HA PHE A 84 2.614 -15.215 2.849 1.00 0.32 H new ATOM 0 HB2 PHE A 84 0.178 -13.574 3.657 1.00 0.33 H new ATOM 0 HB3 PHE A 84 1.781 -12.946 3.990 1.00 0.33 H new ATOM 0 HD1 PHE A 84 3.308 -13.968 1.612 1.00 0.43 H new ATOM 0 HD2 PHE A 84 -0.611 -12.234 1.904 1.00 0.31 H new ATOM 0 HE1 PHE A 84 3.477 -13.177 -0.731 1.00 0.49 H new ATOM 0 HE2 PHE A 84 -0.434 -11.439 -0.431 1.00 0.35 H new ATOM 0 HZ PHE A 84 1.606 -11.914 -1.749 1.00 0.43 H new ATOM 1071 N ARG A 85 1.207 -15.456 5.817 1.00 0.32 N ATOM 1072 CA ARG A 85 1.533 -15.738 7.245 1.00 0.33 C ATOM 1073 C ARG A 85 2.319 -17.044 7.332 1.00 0.28 C ATOM 1074 O ARG A 85 3.227 -17.182 8.128 1.00 0.29 O ATOM 1075 CB ARG A 85 0.186 -15.875 7.956 1.00 0.38 C ATOM 1076 CG ARG A 85 0.421 -16.023 9.463 1.00 0.44 C ATOM 1077 CD ARG A 85 -0.037 -17.415 9.931 1.00 0.50 C ATOM 1078 NE ARG A 85 1.180 -18.103 10.473 1.00 0.56 N ATOM 1079 CZ ARG A 85 2.016 -17.477 11.265 1.00 0.51 C ATOM 1080 NH1 ARG A 85 1.591 -16.536 12.063 1.00 0.57 N ATOM 1081 NH2 ARG A 85 3.281 -17.798 11.252 1.00 0.67 N ATOM 0 H ARG A 85 0.211 -15.390 5.606 1.00 0.32 H new ATOM 0 HA ARG A 85 2.140 -14.953 7.697 1.00 0.33 H new ATOM 0 HB2 ARG A 85 -0.434 -15.001 7.757 1.00 0.38 H new ATOM 0 HB3 ARG A 85 -0.353 -16.742 7.574 1.00 0.38 H new ATOM 0 HG2 ARG A 85 1.478 -15.883 9.690 1.00 0.44 H new ATOM 0 HG3 ARG A 85 -0.126 -15.250 10.003 1.00 0.44 H new ATOM 0 HD2 ARG A 85 -0.809 -17.333 10.696 1.00 0.50 H new ATOM 0 HD3 ARG A 85 -0.467 -17.981 9.104 1.00 0.50 H new ATOM 0 HE ARG A 85 1.360 -19.075 10.221 1.00 0.56 H new ATOM 0 HH11 ARG A 85 0.603 -16.284 12.073 1.00 0.57 H new ATOM 0 HH12 ARG A 85 2.247 -16.053 12.677 1.00 0.57 H new ATOM 0 HH21 ARG A 85 3.614 -18.533 10.628 1.00 0.67 H new ATOM 0 HH22 ARG A 85 3.936 -17.314 11.866 1.00 0.67 H new ATOM 1095 N LYS A 86 1.985 -17.999 6.504 1.00 0.31 N ATOM 1096 CA LYS A 86 2.727 -19.291 6.524 1.00 0.30 C ATOM 1097 C LYS A 86 4.072 -19.107 5.821 1.00 0.26 C ATOM 1098 O LYS A 86 5.072 -19.682 6.211 1.00 0.29 O ATOM 1099 CB LYS A 86 1.843 -20.284 5.769 1.00 0.37 C ATOM 1100 CG LYS A 86 1.936 -21.658 6.438 1.00 0.48 C ATOM 1101 CD LYS A 86 1.347 -21.585 7.851 1.00 0.60 C ATOM 1102 CE LYS A 86 2.479 -21.530 8.883 1.00 0.57 C ATOM 1103 NZ LYS A 86 2.498 -22.881 9.509 1.00 0.77 N ATOM 0 H LYS A 86 1.233 -17.939 5.818 1.00 0.31 H new ATOM 0 HA LYS A 86 2.932 -19.644 7.535 1.00 0.30 H new ATOM 0 HB2 LYS A 86 0.809 -19.938 5.766 1.00 0.37 H new ATOM 0 HB3 LYS A 86 2.160 -20.352 4.728 1.00 0.37 H new ATOM 0 HG2 LYS A 86 1.397 -22.398 5.847 1.00 0.48 H new ATOM 0 HG3 LYS A 86 2.976 -21.982 6.483 1.00 0.48 H new ATOM 0 HD2 LYS A 86 0.713 -20.703 7.946 1.00 0.60 H new ATOM 0 HD3 LYS A 86 0.715 -22.453 8.037 1.00 0.60 H new ATOM 0 HE2 LYS A 86 3.434 -21.301 8.409 1.00 0.57 H new ATOM 0 HE3 LYS A 86 2.298 -20.753 9.626 1.00 0.57 H new ATOM 0 HZ1 LYS A 86 3.249 -22.920 10.228 1.00 0.77 H new ATOM 0 HZ2 LYS A 86 1.579 -23.068 9.958 1.00 0.77 H new ATOM 0 HZ3 LYS A 86 2.680 -23.599 8.779 1.00 0.77 H new ATOM 1117 N GLU A 87 4.103 -18.289 4.798 1.00 0.28 N ATOM 1118 CA GLU A 87 5.383 -18.039 4.073 1.00 0.29 C ATOM 1119 C GLU A 87 6.339 -17.277 4.991 1.00 0.28 C ATOM 1120 O GLU A 87 7.534 -17.507 4.991 1.00 0.32 O ATOM 1121 CB GLU A 87 5.000 -17.185 2.864 1.00 0.33 C ATOM 1122 CG GLU A 87 4.497 -18.089 1.737 1.00 0.38 C ATOM 1123 CD GLU A 87 4.639 -17.363 0.398 1.00 0.37 C ATOM 1124 OE1 GLU A 87 4.186 -16.233 0.308 1.00 0.40 O ATOM 1125 OE2 GLU A 87 5.198 -17.948 -0.515 1.00 0.60 O ATOM 0 H GLU A 87 3.295 -17.784 4.435 1.00 0.28 H new ATOM 0 HA GLU A 87 5.882 -18.958 3.767 1.00 0.29 H new ATOM 0 HB2 GLU A 87 4.227 -16.469 3.142 1.00 0.33 H new ATOM 0 HB3 GLU A 87 5.861 -16.609 2.525 1.00 0.33 H new ATOM 0 HG2 GLU A 87 5.066 -19.019 1.721 1.00 0.38 H new ATOM 0 HG3 GLU A 87 3.454 -18.356 1.909 1.00 0.38 H new ATOM 1132 N ILE A 88 5.811 -16.379 5.786 1.00 0.27 N ATOM 1133 CA ILE A 88 6.674 -15.604 6.724 1.00 0.28 C ATOM 1134 C ILE A 88 7.174 -16.539 7.831 1.00 0.26 C ATOM 1135 O ILE A 88 8.322 -16.482 8.233 1.00 0.30 O ATOM 1136 CB ILE A 88 5.767 -14.483 7.269 1.00 0.32 C ATOM 1137 CG1 ILE A 88 6.543 -13.162 7.278 1.00 0.39 C ATOM 1138 CG2 ILE A 88 5.294 -14.800 8.694 1.00 0.35 C ATOM 1139 CD1 ILE A 88 5.639 -12.035 6.775 1.00 0.53 C ATOM 0 H ILE A 88 4.818 -16.151 5.824 1.00 0.27 H new ATOM 0 HA ILE A 88 7.561 -15.180 6.253 1.00 0.28 H new ATOM 0 HB ILE A 88 4.893 -14.403 6.623 1.00 0.32 H new ATOM 0 HG12 ILE A 88 6.892 -12.940 8.286 1.00 0.39 H new ATOM 0 HG13 ILE A 88 7.427 -13.243 6.646 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.656 -13.993 9.054 1.00 0.35 H new ATOM 0 HG22 ILE A 88 4.731 -15.733 8.691 1.00 0.35 H new ATOM 0 HG23 ILE A 88 6.158 -14.899 9.351 1.00 0.35 H new ATOM 0 HD11 ILE A 88 6.191 -11.095 6.781 1.00 0.53 H new ATOM 0 HD12 ILE A 88 5.312 -12.257 5.759 1.00 0.53 H new ATOM 0 HD13 ILE A 88 4.769 -11.949 7.426 1.00 0.53 H new ATOM 1151 N GLY A 89 6.320 -17.416 8.304 1.00 0.26 N ATOM 1152 CA GLY A 89 6.739 -18.377 9.365 1.00 0.28 C ATOM 1153 C GLY A 89 7.860 -19.248 8.805 1.00 0.27 C ATOM 1154 O GLY A 89 8.761 -19.659 9.513 1.00 0.31 O ATOM 0 H GLY A 89 5.351 -17.505 7.999 1.00 0.26 H new ATOM 0 HA2 GLY A 89 7.081 -17.840 10.250 1.00 0.28 H new ATOM 0 HA3 GLY A 89 5.895 -18.995 9.673 1.00 0.28 H new ATOM 1158 N ARG A 90 7.814 -19.515 7.525 1.00 0.27 N ATOM 1159 CA ARG A 90 8.880 -20.338 6.892 1.00 0.29 C ATOM 1160 C ARG A 90 10.180 -19.535 6.850 1.00 0.25 C ATOM 1161 O ARG A 90 11.249 -20.063 7.097 1.00 0.27 O ATOM 1162 CB ARG A 90 8.381 -20.623 5.475 1.00 0.34 C ATOM 1163 CG ARG A 90 7.577 -21.923 5.465 1.00 0.41 C ATOM 1164 CD ARG A 90 7.081 -22.202 4.045 1.00 0.50 C ATOM 1165 NE ARG A 90 6.923 -23.681 3.976 1.00 1.06 N ATOM 1166 CZ ARG A 90 6.894 -24.282 2.817 1.00 1.49 C ATOM 1167 NH1 ARG A 90 7.781 -23.987 1.906 1.00 1.95 N ATOM 1168 NH2 ARG A 90 5.978 -25.178 2.570 1.00 1.83 N ATOM 0 H ARG A 90 7.081 -19.196 6.892 1.00 0.27 H new ATOM 0 HA ARG A 90 9.079 -21.260 7.439 1.00 0.29 H new ATOM 0 HB2 ARG A 90 7.761 -19.798 5.124 1.00 0.34 H new ATOM 0 HB3 ARG A 90 9.225 -20.701 4.790 1.00 0.34 H new ATOM 0 HG2 ARG A 90 8.196 -22.749 5.815 1.00 0.41 H new ATOM 0 HG3 ARG A 90 6.732 -21.846 6.149 1.00 0.41 H new ATOM 0 HD2 ARG A 90 6.136 -21.695 3.850 1.00 0.50 H new ATOM 0 HD3 ARG A 90 7.794 -21.846 3.301 1.00 0.50 H new ATOM 0 HE ARG A 90 6.837 -24.225 4.835 1.00 1.06 H new ATOM 0 HH11 ARG A 90 8.497 -23.287 2.099 1.00 1.95 H new ATOM 0 HH12 ARG A 90 7.758 -24.457 1.001 1.00 1.95 H new ATOM 0 HH21 ARG A 90 5.285 -25.409 3.282 1.00 1.83 H new ATOM 0 HH22 ARG A 90 5.955 -25.648 1.665 1.00 1.83 H new ATOM 1182 N MET A 91 10.089 -18.252 6.564 1.00 0.22 N ATOM 1183 CA MET A 91 11.316 -17.403 6.522 1.00 0.22 C ATOM 1184 C MET A 91 11.994 -17.472 7.881 1.00 0.21 C ATOM 1185 O MET A 91 13.205 -17.525 7.987 1.00 0.25 O ATOM 1186 CB MET A 91 10.826 -15.981 6.222 1.00 0.25 C ATOM 1187 CG MET A 91 11.738 -15.339 5.175 1.00 0.41 C ATOM 1188 SD MET A 91 11.429 -13.556 5.119 1.00 0.51 S ATOM 1189 CE MET A 91 9.802 -13.632 4.330 1.00 0.50 C ATOM 0 H MET A 91 9.217 -17.763 6.359 1.00 0.22 H new ATOM 0 HA MET A 91 12.036 -17.727 5.770 1.00 0.22 H new ATOM 0 HB2 MET A 91 9.799 -16.008 5.858 1.00 0.25 H new ATOM 0 HB3 MET A 91 10.825 -15.385 7.134 1.00 0.25 H new ATOM 0 HG2 MET A 91 12.783 -15.530 5.420 1.00 0.41 H new ATOM 0 HG3 MET A 91 11.554 -15.782 4.196 1.00 0.41 H new ATOM 0 HE1 MET A 91 9.816 -13.048 3.410 1.00 0.50 H new ATOM 0 HE2 MET A 91 9.558 -14.669 4.099 1.00 0.50 H new ATOM 0 HE3 MET A 91 9.050 -13.225 5.006 1.00 0.50 H new ATOM 1199 N LEU A 92 11.205 -17.510 8.920 1.00 0.22 N ATOM 1200 CA LEU A 92 11.774 -17.617 10.288 1.00 0.25 C ATOM 1201 C LEU A 92 12.485 -18.951 10.410 1.00 0.26 C ATOM 1202 O LEU A 92 13.598 -19.024 10.896 1.00 0.29 O ATOM 1203 CB LEU A 92 10.578 -17.521 11.216 1.00 0.28 C ATOM 1204 CG LEU A 92 10.012 -16.117 11.076 1.00 0.30 C ATOM 1205 CD1 LEU A 92 8.510 -16.126 11.376 1.00 0.36 C ATOM 1206 CD2 LEU A 92 10.729 -15.178 12.053 1.00 0.37 C ATOM 0 H LEU A 92 10.187 -17.471 8.877 1.00 0.22 H new ATOM 0 HA LEU A 92 12.504 -16.843 10.526 1.00 0.25 H new ATOM 0 HB2 LEU A 92 9.827 -18.266 10.954 1.00 0.28 H new ATOM 0 HB3 LEU A 92 10.874 -17.715 12.247 1.00 0.28 H new ATOM 0 HG LEU A 92 10.167 -15.767 10.055 1.00 0.30 H new ATOM 0 HD11 LEU A 92 8.112 -15.116 11.273 1.00 0.36 H new ATOM 0 HD12 LEU A 92 8.003 -16.789 10.675 1.00 0.36 H new ATOM 0 HD13 LEU A 92 8.344 -16.480 12.394 1.00 0.36 H new ATOM 0 HD21 LEU A 92 10.324 -14.171 11.953 1.00 0.37 H new ATOM 0 HD22 LEU A 92 10.578 -15.530 13.073 1.00 0.37 H new ATOM 0 HD23 LEU A 92 11.795 -15.164 11.828 1.00 0.37 H new ATOM 1218 N ASN A 93 11.868 -20.002 9.921 1.00 0.27 N ATOM 1219 CA ASN A 93 12.533 -21.334 9.954 1.00 0.31 C ATOM 1220 C ASN A 93 13.907 -21.189 9.297 1.00 0.30 C ATOM 1221 O ASN A 93 14.838 -21.908 9.606 1.00 0.37 O ATOM 1222 CB ASN A 93 11.631 -22.265 9.138 1.00 0.34 C ATOM 1223 CG ASN A 93 11.072 -23.362 10.046 1.00 0.66 C ATOM 1224 OD1 ASN A 93 11.668 -24.411 10.188 1.00 0.98 O ATOM 1225 ND2 ASN A 93 9.943 -23.164 10.670 1.00 0.99 N ATOM 0 H ASN A 93 10.937 -19.990 9.504 1.00 0.27 H new ATOM 0 HA ASN A 93 12.674 -21.725 10.962 1.00 0.31 H new ATOM 0 HB2 ASN A 93 10.815 -21.698 8.691 1.00 0.34 H new ATOM 0 HB3 ASN A 93 12.196 -22.710 8.319 1.00 0.34 H new ATOM 0 HD21 ASN A 93 9.561 -23.890 11.277 1.00 0.99 H new ATOM 0 HD22 ASN A 93 9.442 -22.283 10.551 1.00 0.99 H new ATOM 1232 N ILE A 94 14.033 -20.228 8.406 1.00 0.24 N ATOM 1233 CA ILE A 94 15.346 -19.993 7.739 1.00 0.26 C ATOM 1234 C ILE A 94 16.231 -19.108 8.623 1.00 0.25 C ATOM 1235 O ILE A 94 17.430 -19.306 8.685 1.00 0.32 O ATOM 1236 CB ILE A 94 15.064 -19.267 6.411 1.00 0.26 C ATOM 1237 CG1 ILE A 94 13.758 -19.778 5.785 1.00 0.30 C ATOM 1238 CG2 ILE A 94 16.238 -19.511 5.451 1.00 0.34 C ATOM 1239 CD1 ILE A 94 13.637 -19.299 4.333 1.00 0.47 C ATOM 0 H ILE A 94 13.282 -19.601 8.117 1.00 0.24 H new ATOM 0 HA ILE A 94 15.861 -20.938 7.568 1.00 0.26 H new ATOM 0 HB ILE A 94 14.956 -18.199 6.600 1.00 0.26 H new ATOM 0 HG12 ILE A 94 13.733 -20.867 5.818 1.00 0.30 H new ATOM 0 HG13 ILE A 94 12.906 -19.422 6.364 1.00 0.30 H new ATOM 0 HG21 ILE A 94 16.048 -19.001 4.507 1.00 0.34 H new ATOM 0 HG22 ILE A 94 17.156 -19.125 5.894 1.00 0.34 H new ATOM 0 HG23 ILE A 94 16.344 -20.581 5.270 1.00 0.34 H new ATOM 0 HD11 ILE A 94 12.706 -19.670 3.904 1.00 0.47 H new ATOM 0 HD12 ILE A 94 13.639 -18.209 4.308 1.00 0.47 H new ATOM 0 HD13 ILE A 94 14.479 -19.677 3.754 1.00 0.47 H new ATOM 1251 N LEU A 95 15.668 -18.116 9.292 1.00 0.23 N ATOM 1252 CA LEU A 95 16.534 -17.228 10.137 1.00 0.25 C ATOM 1253 C LEU A 95 16.502 -17.636 11.617 1.00 0.29 C ATOM 1254 O LEU A 95 16.881 -16.866 12.481 1.00 0.36 O ATOM 1255 CB LEU A 95 15.995 -15.808 9.943 1.00 0.27 C ATOM 1256 CG LEU A 95 14.532 -15.738 10.371 1.00 0.30 C ATOM 1257 CD1 LEU A 95 14.416 -14.947 11.675 1.00 0.46 C ATOM 1258 CD2 LEU A 95 13.716 -15.038 9.279 1.00 0.33 C ATOM 0 H LEU A 95 14.673 -17.891 9.288 1.00 0.23 H new ATOM 0 HA LEU A 95 17.579 -17.305 9.836 1.00 0.25 H new ATOM 0 HB2 LEU A 95 16.587 -15.103 10.527 1.00 0.27 H new ATOM 0 HB3 LEU A 95 16.090 -15.514 8.898 1.00 0.27 H new ATOM 0 HG LEU A 95 14.151 -16.748 10.524 1.00 0.30 H new ATOM 0 HD11 LEU A 95 13.370 -14.898 11.979 1.00 0.46 H new ATOM 0 HD12 LEU A 95 14.998 -15.441 12.453 1.00 0.46 H new ATOM 0 HD13 LEU A 95 14.797 -13.937 11.523 1.00 0.46 H new ATOM 0 HD21 LEU A 95 12.670 -14.987 9.583 1.00 0.33 H new ATOM 0 HD22 LEU A 95 14.100 -14.029 9.128 1.00 0.33 H new ATOM 0 HD23 LEU A 95 13.797 -15.600 8.348 1.00 0.33 H new ATOM 1270 N ASN A 96 16.077 -18.840 11.916 1.00 0.33 N ATOM 1271 CA ASN A 96 16.050 -19.299 13.343 1.00 0.39 C ATOM 1272 C ASN A 96 17.062 -20.428 13.558 1.00 0.42 C ATOM 1273 O ASN A 96 17.393 -20.771 14.678 1.00 0.48 O ATOM 1274 CB ASN A 96 14.635 -19.816 13.582 1.00 0.46 C ATOM 1275 CG ASN A 96 13.767 -18.680 14.123 1.00 0.52 C ATOM 1276 OD1 ASN A 96 12.606 -18.449 13.580 1.00 0.73 O flip ATOM 1277 ND2 ASN A 96 14.150 -17.996 15.051 1.00 0.49 N flip ATOM 0 H ASN A 96 15.748 -19.525 11.235 1.00 0.33 H new ATOM 0 HA ASN A 96 16.311 -18.493 14.029 1.00 0.39 H new ATOM 0 HB2 ASN A 96 14.214 -20.200 12.653 1.00 0.46 H new ATOM 0 HB3 ASN A 96 14.653 -20.644 14.290 1.00 0.46 H new ATOM 0 HD21 ASN A 96 15.059 -18.177 15.477 1.00 0.49 H new ATOM 0 HD22 ASN A 96 13.562 -17.241 15.405 1.00 0.49 H new ATOM 1738 N PRO B 43 11.636 0.617 12.098 1.00 0.43 N ATOM 1739 CA PRO B 43 10.916 -0.507 11.466 1.00 0.38 C ATOM 1740 C PRO B 43 11.887 -1.612 11.035 1.00 0.28 C ATOM 1741 O PRO B 43 11.665 -2.778 11.298 1.00 0.31 O ATOM 1742 CB PRO B 43 10.265 0.142 10.249 1.00 0.44 C ATOM 1743 CG PRO B 43 11.113 1.338 9.919 1.00 0.50 C ATOM 1744 CD PRO B 43 11.984 1.649 11.116 1.00 0.50 C ATOM 0 HA PRO B 43 10.202 -0.986 12.136 1.00 0.38 H new ATOM 0 HB2 PRO B 43 10.225 -0.553 9.410 1.00 0.44 H new ATOM 0 HB3 PRO B 43 9.239 0.438 10.466 1.00 0.44 H new ATOM 0 HG2 PRO B 43 11.730 1.136 9.043 1.00 0.50 H new ATOM 0 HG3 PRO B 43 10.484 2.194 9.675 1.00 0.50 H new ATOM 0 HD2 PRO B 43 13.042 1.611 10.858 1.00 0.50 H new ATOM 0 HD3 PRO B 43 11.786 2.649 11.503 1.00 0.50 H new ATOM 1752 N LEU B 44 12.951 -1.249 10.358 1.00 0.28 N ATOM 1753 CA LEU B 44 13.943 -2.264 9.879 1.00 0.28 C ATOM 1754 C LEU B 44 13.255 -3.319 9.004 1.00 0.29 C ATOM 1755 O LEU B 44 13.808 -4.368 8.734 1.00 0.65 O ATOM 1756 CB LEU B 44 14.527 -2.910 11.139 1.00 0.32 C ATOM 1757 CG LEU B 44 15.717 -3.793 10.744 1.00 0.44 C ATOM 1758 CD1 LEU B 44 16.909 -3.489 11.653 1.00 0.64 C ATOM 1759 CD2 LEU B 44 15.336 -5.273 10.880 1.00 0.52 C ATOM 0 H LEU B 44 13.176 -0.284 10.115 1.00 0.28 H new ATOM 0 HA LEU B 44 14.721 -1.804 9.270 1.00 0.28 H new ATOM 0 HB2 LEU B 44 14.846 -2.141 11.842 1.00 0.32 H new ATOM 0 HB3 LEU B 44 13.767 -3.507 11.643 1.00 0.32 H new ATOM 0 HG LEU B 44 15.987 -3.584 9.709 1.00 0.44 H new ATOM 0 HD11 LEU B 44 17.753 -4.118 11.369 1.00 0.64 H new ATOM 0 HD12 LEU B 44 17.188 -2.440 11.549 1.00 0.64 H new ATOM 0 HD13 LEU B 44 16.637 -3.692 12.689 1.00 0.64 H new ATOM 0 HD21 LEU B 44 16.186 -5.895 10.598 1.00 0.52 H new ATOM 0 HD22 LEU B 44 15.059 -5.484 11.913 1.00 0.52 H new ATOM 0 HD23 LEU B 44 14.492 -5.493 10.226 1.00 0.52 H new ATOM 1771 N LYS B 45 12.060 -3.043 8.550 1.00 0.31 N ATOM 1772 CA LYS B 45 11.341 -4.021 7.682 1.00 0.31 C ATOM 1773 C LYS B 45 11.713 -3.774 6.220 1.00 0.30 C ATOM 1774 O LYS B 45 11.731 -4.680 5.420 1.00 0.35 O ATOM 1775 CB LYS B 45 9.849 -3.761 7.922 1.00 0.36 C ATOM 1776 CG LYS B 45 9.469 -2.366 7.414 1.00 0.39 C ATOM 1777 CD LYS B 45 8.043 -2.027 7.859 1.00 0.48 C ATOM 1778 CE LYS B 45 7.976 -1.983 9.389 1.00 0.37 C ATOM 1779 NZ LYS B 45 7.197 -3.192 9.776 1.00 0.33 N ATOM 0 H LYS B 45 11.551 -2.181 8.744 1.00 0.31 H new ATOM 0 HA LYS B 45 11.601 -5.055 7.911 1.00 0.31 H new ATOM 0 HB2 LYS B 45 9.253 -4.517 7.411 1.00 0.36 H new ATOM 0 HB3 LYS B 45 9.624 -3.843 8.985 1.00 0.36 H new ATOM 0 HG2 LYS B 45 10.167 -1.624 7.801 1.00 0.39 H new ATOM 0 HG3 LYS B 45 9.539 -2.332 6.327 1.00 0.39 H new ATOM 0 HD2 LYS B 45 7.741 -1.065 7.444 1.00 0.48 H new ATOM 0 HD3 LYS B 45 7.345 -2.772 7.476 1.00 0.48 H new ATOM 0 HE2 LYS B 45 8.973 -1.999 9.828 1.00 0.37 H new ATOM 0 HE3 LYS B 45 7.489 -1.072 9.737 1.00 0.37 H new ATOM 0 HZ1 LYS B 45 7.400 -3.433 10.767 1.00 0.33 H new ATOM 0 HZ2 LYS B 45 6.181 -3.000 9.668 1.00 0.33 H new ATOM 0 HZ3 LYS B 45 7.466 -3.989 9.164 1.00 0.33 H new ATOM 1793 N LEU B 46 12.012 -2.542 5.885 1.00 0.28 N ATOM 1794 CA LEU B 46 12.400 -2.177 4.481 1.00 0.29 C ATOM 1795 C LEU B 46 13.200 -3.302 3.800 1.00 0.28 C ATOM 1796 O LEU B 46 12.964 -3.634 2.650 1.00 0.31 O ATOM 1797 CB LEU B 46 13.286 -0.933 4.650 1.00 0.32 C ATOM 1798 CG LEU B 46 12.561 0.315 4.134 1.00 0.38 C ATOM 1799 CD1 LEU B 46 12.213 0.144 2.652 1.00 0.48 C ATOM 1800 CD2 LEU B 46 11.280 0.537 4.944 1.00 0.46 C ATOM 0 H LEU B 46 12.004 -1.757 6.537 1.00 0.28 H new ATOM 0 HA LEU B 46 11.526 -2.006 3.853 1.00 0.29 H new ATOM 0 HB2 LEU B 46 13.544 -0.803 5.701 1.00 0.32 H new ATOM 0 HB3 LEU B 46 14.221 -1.069 4.107 1.00 0.32 H new ATOM 0 HG LEU B 46 13.215 1.180 4.247 1.00 0.38 H new ATOM 0 HD11 LEU B 46 11.698 1.036 2.294 1.00 0.48 H new ATOM 0 HD12 LEU B 46 13.128 -0.002 2.078 1.00 0.48 H new ATOM 0 HD13 LEU B 46 11.565 -0.724 2.528 1.00 0.48 H new ATOM 0 HD21 LEU B 46 10.766 1.425 4.576 1.00 0.46 H new ATOM 0 HD22 LEU B 46 10.628 -0.330 4.838 1.00 0.46 H new ATOM 0 HD23 LEU B 46 11.533 0.674 5.995 1.00 0.46 H new ATOM 1812 N PHE B 47 14.129 -3.898 4.507 1.00 0.28 N ATOM 1813 CA PHE B 47 14.940 -4.999 3.912 1.00 0.28 C ATOM 1814 C PHE B 47 14.109 -6.276 3.891 1.00 0.27 C ATOM 1815 O PHE B 47 14.021 -6.962 2.890 1.00 0.30 O ATOM 1816 CB PHE B 47 16.151 -5.144 4.844 1.00 0.29 C ATOM 1817 CG PHE B 47 16.793 -6.498 4.651 1.00 0.29 C ATOM 1818 CD1 PHE B 47 17.186 -6.911 3.372 1.00 0.37 C ATOM 1819 CD2 PHE B 47 16.986 -7.344 5.750 1.00 0.35 C ATOM 1820 CE1 PHE B 47 17.773 -8.168 3.195 1.00 0.40 C ATOM 1821 CE2 PHE B 47 17.571 -8.601 5.571 1.00 0.38 C ATOM 1822 CZ PHE B 47 17.965 -9.014 4.294 1.00 0.38 C ATOM 0 H PHE B 47 14.359 -3.667 5.473 1.00 0.28 H new ATOM 0 HA PHE B 47 15.250 -4.798 2.887 1.00 0.28 H new ATOM 0 HB2 PHE B 47 16.875 -4.356 4.637 1.00 0.29 H new ATOM 0 HB3 PHE B 47 15.838 -5.025 5.881 1.00 0.29 H new ATOM 0 HD1 PHE B 47 17.036 -6.260 2.524 1.00 0.37 H new ATOM 0 HD2 PHE B 47 16.683 -7.025 6.736 1.00 0.35 H new ATOM 0 HE1 PHE B 47 18.079 -8.487 2.209 1.00 0.40 H new ATOM 0 HE2 PHE B 47 17.719 -9.253 6.419 1.00 0.38 H new ATOM 0 HZ PHE B 47 18.417 -9.985 4.156 1.00 0.38 H new ATOM 1832 N MET B 48 13.495 -6.586 4.997 1.00 0.29 N ATOM 1833 CA MET B 48 12.651 -7.808 5.078 1.00 0.32 C ATOM 1834 C MET B 48 11.540 -7.747 4.032 1.00 0.31 C ATOM 1835 O MET B 48 11.389 -8.644 3.233 1.00 0.35 O ATOM 1836 CB MET B 48 12.062 -7.780 6.487 1.00 0.39 C ATOM 1837 CG MET B 48 12.108 -9.184 7.082 1.00 0.55 C ATOM 1838 SD MET B 48 13.410 -9.281 8.336 1.00 0.57 S ATOM 1839 CE MET B 48 14.773 -8.716 7.291 1.00 0.54 C ATOM 0 H MET B 48 13.543 -6.039 5.857 1.00 0.29 H new ATOM 0 HA MET B 48 13.217 -8.720 4.888 1.00 0.32 H new ATOM 0 HB2 MET B 48 12.624 -7.088 7.115 1.00 0.39 H new ATOM 0 HB3 MET B 48 11.034 -7.419 6.456 1.00 0.39 H new ATOM 0 HG2 MET B 48 11.144 -9.431 7.527 1.00 0.55 H new ATOM 0 HG3 MET B 48 12.294 -9.916 6.296 1.00 0.55 H new ATOM 0 HE1 MET B 48 15.722 -8.962 7.767 1.00 0.54 H new ATOM 0 HE2 MET B 48 14.715 -9.208 6.320 1.00 0.54 H new ATOM 0 HE3 MET B 48 14.704 -7.637 7.156 1.00 0.54 H new ATOM 1849 N ALA B 49 10.769 -6.689 4.037 1.00 0.31 N ATOM 1850 CA ALA B 49 9.658 -6.544 3.049 1.00 0.33 C ATOM 1851 C ALA B 49 10.190 -6.681 1.621 1.00 0.33 C ATOM 1852 O ALA B 49 9.604 -7.364 0.801 1.00 0.39 O ATOM 1853 CB ALA B 49 9.100 -5.138 3.279 1.00 0.39 C ATOM 0 H ALA B 49 10.863 -5.912 4.691 1.00 0.31 H new ATOM 0 HA ALA B 49 8.895 -7.312 3.177 1.00 0.33 H new ATOM 0 HB1 ALA B 49 8.277 -4.956 2.588 1.00 0.39 H new ATOM 0 HB2 ALA B 49 8.739 -5.053 4.304 1.00 0.39 H new ATOM 0 HB3 ALA B 49 9.886 -4.402 3.109 1.00 0.39 H new ATOM 1859 N LEU B 50 11.292 -6.038 1.313 1.00 0.33 N ATOM 1860 CA LEU B 50 11.848 -6.140 -0.071 1.00 0.34 C ATOM 1861 C LEU B 50 12.136 -7.603 -0.425 1.00 0.31 C ATOM 1862 O LEU B 50 11.550 -8.151 -1.343 1.00 0.34 O ATOM 1863 CB LEU B 50 13.141 -5.324 -0.053 1.00 0.39 C ATOM 1864 CG LEU B 50 13.574 -5.023 -1.490 1.00 0.49 C ATOM 1865 CD1 LEU B 50 12.491 -4.200 -2.194 1.00 0.87 C ATOM 1866 CD2 LEU B 50 14.882 -4.231 -1.469 1.00 0.74 C ATOM 0 H LEU B 50 11.825 -5.452 1.955 1.00 0.33 H new ATOM 0 HA LEU B 50 11.148 -5.767 -0.819 1.00 0.34 H new ATOM 0 HB2 LEU B 50 12.989 -4.394 0.495 1.00 0.39 H new ATOM 0 HB3 LEU B 50 13.925 -5.876 0.466 1.00 0.39 H new ATOM 0 HG LEU B 50 13.721 -5.960 -2.028 1.00 0.49 H new ATOM 0 HD11 LEU B 50 12.803 -3.988 -3.217 1.00 0.87 H new ATOM 0 HD12 LEU B 50 11.558 -4.763 -2.209 1.00 0.87 H new ATOM 0 HD13 LEU B 50 12.341 -3.263 -1.658 1.00 0.87 H new ATOM 0 HD21 LEU B 50 15.193 -4.015 -2.491 1.00 0.74 H new ATOM 0 HD22 LEU B 50 14.732 -3.296 -0.930 1.00 0.74 H new ATOM 0 HD23 LEU B 50 15.654 -4.817 -0.971 1.00 0.74 H new ATOM 1878 N VAL B 51 13.027 -8.244 0.295 1.00 0.30 N ATOM 1879 CA VAL B 51 13.339 -9.666 -0.006 1.00 0.30 C ATOM 1880 C VAL B 51 12.075 -10.519 0.158 1.00 0.29 C ATOM 1881 O VAL B 51 11.893 -11.501 -0.531 1.00 0.34 O ATOM 1882 CB VAL B 51 14.427 -10.063 0.997 1.00 0.33 C ATOM 1883 CG1 VAL B 51 14.779 -11.532 0.808 1.00 0.49 C ATOM 1884 CG2 VAL B 51 15.677 -9.211 0.754 1.00 0.49 C ATOM 0 H VAL B 51 13.547 -7.840 1.074 1.00 0.30 H new ATOM 0 HA VAL B 51 13.683 -9.816 -1.029 1.00 0.30 H new ATOM 0 HB VAL B 51 14.062 -9.901 2.011 1.00 0.33 H new ATOM 0 HG11 VAL B 51 15.553 -11.815 1.521 1.00 0.49 H new ATOM 0 HG12 VAL B 51 13.892 -12.143 0.974 1.00 0.49 H new ATOM 0 HG13 VAL B 51 15.145 -11.691 -0.206 1.00 0.49 H new ATOM 0 HG21 VAL B 51 16.453 -9.492 1.467 1.00 0.49 H new ATOM 0 HG22 VAL B 51 16.039 -9.377 -0.261 1.00 0.49 H new ATOM 0 HG23 VAL B 51 15.430 -8.157 0.883 1.00 0.49 H new ATOM 1894 N ALA B 52 11.192 -10.134 1.050 1.00 0.28 N ATOM 1895 CA ALA B 52 9.927 -10.910 1.242 1.00 0.30 C ATOM 1896 C ALA B 52 9.086 -10.828 -0.029 1.00 0.29 C ATOM 1897 O ALA B 52 8.628 -11.830 -0.544 1.00 0.31 O ATOM 1898 CB ALA B 52 9.198 -10.235 2.404 1.00 0.33 C ATOM 0 H ALA B 52 11.294 -9.317 1.652 1.00 0.28 H new ATOM 0 HA ALA B 52 10.117 -11.963 1.451 1.00 0.30 H new ATOM 0 HB1 ALA B 52 8.260 -10.756 2.597 1.00 0.33 H new ATOM 0 HB2 ALA B 52 9.823 -10.271 3.296 1.00 0.33 H new ATOM 0 HB3 ALA B 52 8.990 -9.196 2.149 1.00 0.33 H new ATOM 1904 N PHE B 53 8.898 -9.635 -0.546 1.00 0.30 N ATOM 1905 CA PHE B 53 8.106 -9.466 -1.803 1.00 0.31 C ATOM 1906 C PHE B 53 8.674 -10.402 -2.873 1.00 0.30 C ATOM 1907 O PHE B 53 7.981 -11.248 -3.417 1.00 0.31 O ATOM 1908 CB PHE B 53 8.307 -7.999 -2.194 1.00 0.35 C ATOM 1909 CG PHE B 53 7.679 -7.733 -3.541 1.00 0.34 C ATOM 1910 CD1 PHE B 53 6.337 -8.061 -3.768 1.00 0.38 C ATOM 1911 CD2 PHE B 53 8.442 -7.158 -4.563 1.00 0.41 C ATOM 1912 CE1 PHE B 53 5.759 -7.813 -5.019 1.00 0.42 C ATOM 1913 CE2 PHE B 53 7.864 -6.910 -5.814 1.00 0.46 C ATOM 1914 CZ PHE B 53 6.523 -7.239 -6.042 1.00 0.43 C ATOM 0 H PHE B 53 9.262 -8.769 -0.148 1.00 0.30 H new ATOM 0 HA PHE B 53 7.049 -9.705 -1.687 1.00 0.31 H new ATOM 0 HB2 PHE B 53 7.861 -7.349 -1.441 1.00 0.35 H new ATOM 0 HB3 PHE B 53 9.371 -7.765 -2.227 1.00 0.35 H new ATOM 0 HD1 PHE B 53 5.748 -8.505 -2.979 1.00 0.38 H new ATOM 0 HD2 PHE B 53 9.477 -6.905 -4.387 1.00 0.41 H new ATOM 0 HE1 PHE B 53 4.724 -8.065 -5.195 1.00 0.42 H new ATOM 0 HE2 PHE B 53 8.453 -6.465 -6.603 1.00 0.46 H new ATOM 0 HZ PHE B 53 6.077 -7.050 -7.007 1.00 0.43 H new ATOM 1924 N LEU B 54 9.945 -10.279 -3.146 1.00 0.31 N ATOM 1925 CA LEU B 54 10.576 -11.179 -4.148 1.00 0.32 C ATOM 1926 C LEU B 54 10.406 -12.630 -3.683 1.00 0.32 C ATOM 1927 O LEU B 54 10.163 -13.518 -4.475 1.00 0.37 O ATOM 1928 CB LEU B 54 12.053 -10.775 -4.174 1.00 0.34 C ATOM 1929 CG LEU B 54 12.265 -9.638 -5.181 1.00 0.37 C ATOM 1930 CD1 LEU B 54 11.882 -10.113 -6.585 1.00 0.48 C ATOM 1931 CD2 LEU B 54 11.395 -8.438 -4.796 1.00 0.43 C ATOM 0 H LEU B 54 10.570 -9.596 -2.719 1.00 0.31 H new ATOM 0 HA LEU B 54 10.132 -11.099 -5.140 1.00 0.32 H new ATOM 0 HB2 LEU B 54 12.370 -10.457 -3.181 1.00 0.34 H new ATOM 0 HB3 LEU B 54 12.669 -11.632 -4.445 1.00 0.34 H new ATOM 0 HG LEU B 54 13.315 -9.344 -5.171 1.00 0.37 H new ATOM 0 HD11 LEU B 54 12.034 -9.302 -7.297 1.00 0.48 H new ATOM 0 HD12 LEU B 54 12.505 -10.963 -6.864 1.00 0.48 H new ATOM 0 HD13 LEU B 54 10.834 -10.413 -6.594 1.00 0.48 H new ATOM 0 HD21 LEU B 54 11.548 -7.632 -5.514 1.00 0.43 H new ATOM 0 HD22 LEU B 54 10.346 -8.733 -4.800 1.00 0.43 H new ATOM 0 HD23 LEU B 54 11.671 -8.093 -3.799 1.00 0.43 H new ATOM 1943 N ARG B 55 10.506 -12.862 -2.394 1.00 0.31 N ATOM 1944 CA ARG B 55 10.333 -14.247 -1.855 1.00 0.34 C ATOM 1945 C ARG B 55 8.861 -14.673 -1.927 1.00 0.35 C ATOM 1946 O ARG B 55 8.524 -15.813 -1.668 1.00 0.49 O ATOM 1947 CB ARG B 55 10.804 -14.183 -0.401 1.00 0.37 C ATOM 1948 CG ARG B 55 10.926 -15.602 0.162 1.00 0.48 C ATOM 1949 CD ARG B 55 9.721 -15.908 1.054 1.00 0.71 C ATOM 1950 NE ARG B 55 9.641 -17.395 1.090 1.00 0.82 N ATOM 1951 CZ ARG B 55 8.488 -17.990 0.955 1.00 0.72 C ATOM 1952 NH1 ARG B 55 7.880 -17.981 -0.201 1.00 0.58 N ATOM 1953 NH2 ARG B 55 7.942 -18.595 1.974 1.00 1.01 N ATOM 0 H ARG B 55 10.701 -12.148 -1.692 1.00 0.31 H new ATOM 0 HA ARG B 55 10.901 -14.978 -2.431 1.00 0.34 H new ATOM 0 HB2 ARG B 55 11.766 -13.673 -0.342 1.00 0.37 H new ATOM 0 HB3 ARG B 55 10.099 -13.604 0.195 1.00 0.37 H new ATOM 0 HG2 ARG B 55 10.980 -16.324 -0.653 1.00 0.48 H new ATOM 0 HG3 ARG B 55 11.848 -15.698 0.735 1.00 0.48 H new ATOM 0 HD2 ARG B 55 9.854 -15.495 2.054 1.00 0.71 H new ATOM 0 HD3 ARG B 55 8.808 -15.473 0.648 1.00 0.71 H new ATOM 0 HE ARG B 55 10.488 -17.948 1.220 1.00 0.82 H new ATOM 0 HH11 ARG B 55 8.307 -17.509 -0.998 1.00 0.58 H new ATOM 0 HH12 ARG B 55 6.978 -18.446 -0.307 1.00 0.58 H new ATOM 0 HH21 ARG B 55 8.417 -18.603 2.877 1.00 1.01 H new ATOM 0 HH22 ARG B 55 7.040 -19.060 1.868 1.00 1.01 H new ATOM 1967 N PHE B 56 7.983 -13.772 -2.281 1.00 0.29 N ATOM 1968 CA PHE B 56 6.541 -14.136 -2.379 1.00 0.31 C ATOM 1969 C PHE B 56 6.177 -14.424 -3.836 1.00 0.31 C ATOM 1970 O PHE B 56 5.197 -15.090 -4.114 1.00 0.36 O ATOM 1971 CB PHE B 56 5.772 -12.907 -1.885 1.00 0.33 C ATOM 1972 CG PHE B 56 5.899 -12.746 -0.378 1.00 0.35 C ATOM 1973 CD1 PHE B 56 6.660 -13.644 0.395 1.00 0.44 C ATOM 1974 CD2 PHE B 56 5.241 -11.680 0.247 1.00 0.43 C ATOM 1975 CE1 PHE B 56 6.756 -13.467 1.780 1.00 0.52 C ATOM 1976 CE2 PHE B 56 5.340 -11.506 1.633 1.00 0.50 C ATOM 1977 CZ PHE B 56 6.097 -12.399 2.399 1.00 0.52 C ATOM 0 H PHE B 56 8.203 -12.802 -2.506 1.00 0.29 H new ATOM 0 HA PHE B 56 6.305 -15.025 -1.794 1.00 0.31 H new ATOM 0 HB2 PHE B 56 6.151 -12.014 -2.382 1.00 0.33 H new ATOM 0 HB3 PHE B 56 4.720 -13.000 -2.156 1.00 0.33 H new ATOM 0 HD1 PHE B 56 7.169 -14.469 -0.081 1.00 0.44 H new ATOM 0 HD2 PHE B 56 4.655 -10.990 -0.342 1.00 0.43 H new ATOM 0 HE1 PHE B 56 7.340 -14.156 2.372 1.00 0.52 H new ATOM 0 HE2 PHE B 56 4.832 -10.682 2.111 1.00 0.50 H new ATOM 0 HZ PHE B 56 6.173 -12.264 3.468 1.00 0.52 H new ATOM 1987 N LEU B 57 6.940 -13.903 -4.769 1.00 0.29 N ATOM 1988 CA LEU B 57 6.609 -14.126 -6.212 1.00 0.33 C ATOM 1989 C LEU B 57 7.573 -15.118 -6.885 1.00 0.35 C ATOM 1990 O LEU B 57 7.164 -15.897 -7.726 1.00 0.43 O ATOM 1991 CB LEU B 57 6.724 -12.745 -6.868 1.00 0.36 C ATOM 1992 CG LEU B 57 6.062 -11.681 -5.980 1.00 0.33 C ATOM 1993 CD1 LEU B 57 6.202 -10.302 -6.634 1.00 0.43 C ATOM 1994 CD2 LEU B 57 4.575 -12.010 -5.788 1.00 0.36 C ATOM 0 H LEU B 57 7.771 -13.338 -4.595 1.00 0.29 H new ATOM 0 HA LEU B 57 5.616 -14.562 -6.318 1.00 0.33 H new ATOM 0 HB2 LEU B 57 7.773 -12.496 -7.027 1.00 0.36 H new ATOM 0 HB3 LEU B 57 6.248 -12.759 -7.848 1.00 0.36 H new ATOM 0 HG LEU B 57 6.555 -11.673 -5.008 1.00 0.33 H new ATOM 0 HD11 LEU B 57 5.731 -9.550 -6.001 1.00 0.43 H new ATOM 0 HD12 LEU B 57 7.258 -10.063 -6.757 1.00 0.43 H new ATOM 0 HD13 LEU B 57 5.716 -10.311 -7.610 1.00 0.43 H new ATOM 0 HD21 LEU B 57 4.113 -11.251 -5.157 1.00 0.36 H new ATOM 0 HD22 LEU B 57 4.078 -12.027 -6.758 1.00 0.36 H new ATOM 0 HD23 LEU B 57 4.477 -12.986 -5.312 1.00 0.36 H new ATOM 2006 N THR B 58 8.844 -15.089 -6.554 1.00 0.33 N ATOM 2007 CA THR B 58 9.803 -16.031 -7.222 1.00 0.38 C ATOM 2008 C THR B 58 10.924 -16.495 -6.275 1.00 0.37 C ATOM 2009 O THR B 58 11.666 -17.404 -6.593 1.00 0.45 O ATOM 2010 CB THR B 58 10.388 -15.219 -8.378 1.00 0.43 C ATOM 2011 OG1 THR B 58 9.335 -14.772 -9.220 1.00 0.63 O ATOM 2012 CG2 THR B 58 11.350 -16.092 -9.181 1.00 0.66 C ATOM 0 H THR B 58 9.255 -14.464 -5.861 1.00 0.33 H new ATOM 0 HA THR B 58 9.301 -16.943 -7.546 1.00 0.38 H new ATOM 0 HB THR B 58 10.927 -14.359 -7.982 1.00 0.43 H new ATOM 0 HG1 THR B 58 9.708 -14.250 -9.961 1.00 0.63 H new ATOM 0 HG21 THR B 58 11.766 -15.512 -10.005 1.00 0.66 H new ATOM 0 HG22 THR B 58 12.157 -16.434 -8.534 1.00 0.66 H new ATOM 0 HG23 THR B 58 10.814 -16.954 -9.579 1.00 0.66 H new ATOM 2020 N ILE B 59 11.050 -15.883 -5.125 1.00 0.33 N ATOM 2021 CA ILE B 59 12.116 -16.280 -4.152 1.00 0.35 C ATOM 2022 C ILE B 59 13.512 -16.280 -4.801 1.00 0.38 C ATOM 2023 O ILE B 59 14.174 -17.299 -4.850 1.00 0.43 O ATOM 2024 CB ILE B 59 11.733 -17.685 -3.683 1.00 0.40 C ATOM 2025 CG1 ILE B 59 10.347 -17.651 -3.037 1.00 0.40 C ATOM 2026 CG2 ILE B 59 12.755 -18.171 -2.648 1.00 0.46 C ATOM 2027 CD1 ILE B 59 9.270 -17.770 -4.118 1.00 0.43 C ATOM 0 H ILE B 59 10.453 -15.116 -4.814 1.00 0.33 H new ATOM 0 HA ILE B 59 12.176 -15.573 -3.324 1.00 0.35 H new ATOM 0 HB ILE B 59 11.722 -18.360 -4.539 1.00 0.40 H new ATOM 0 HG12 ILE B 59 10.249 -18.467 -2.321 1.00 0.40 H new ATOM 0 HG13 ILE B 59 10.217 -16.722 -2.481 1.00 0.40 H new ATOM 0 HG21 ILE B 59 12.485 -19.172 -2.312 1.00 0.46 H new ATOM 0 HG22 ILE B 59 13.747 -18.195 -3.100 1.00 0.46 H new ATOM 0 HG23 ILE B 59 12.761 -17.491 -1.796 1.00 0.46 H new ATOM 0 HD11 ILE B 59 8.284 -17.745 -3.654 1.00 0.43 H new ATOM 0 HD12 ILE B 59 9.363 -16.939 -4.817 1.00 0.43 H new ATOM 0 HD13 ILE B 59 9.395 -18.711 -4.654 1.00 0.43 H new ATOM 2039 N PRO B 60 13.928 -15.124 -5.259 1.00 0.39 N ATOM 2040 CA PRO B 60 15.257 -14.951 -5.863 1.00 0.45 C ATOM 2041 C PRO B 60 16.188 -14.209 -4.875 1.00 0.44 C ATOM 2042 O PRO B 60 16.623 -13.108 -5.163 1.00 0.49 O ATOM 2043 CB PRO B 60 14.927 -14.041 -7.047 1.00 0.53 C ATOM 2044 CG PRO B 60 13.676 -13.294 -6.637 1.00 0.52 C ATOM 2045 CD PRO B 60 13.211 -13.865 -5.313 1.00 0.43 C ATOM 0 HA PRO B 60 15.760 -15.880 -6.130 1.00 0.45 H new ATOM 0 HB2 PRO B 60 15.746 -13.353 -7.255 1.00 0.53 H new ATOM 0 HB3 PRO B 60 14.760 -14.621 -7.955 1.00 0.53 H new ATOM 0 HG2 PRO B 60 13.881 -12.228 -6.543 1.00 0.52 H new ATOM 0 HG3 PRO B 60 12.900 -13.403 -7.394 1.00 0.52 H new ATOM 0 HD2 PRO B 60 13.465 -13.214 -4.476 1.00 0.43 H new ATOM 0 HD3 PRO B 60 12.131 -14.009 -5.288 1.00 0.43 H new ATOM 2053 N PRO B 61 16.458 -14.804 -3.729 1.00 0.42 N ATOM 2054 CA PRO B 61 17.323 -14.129 -2.731 1.00 0.44 C ATOM 2055 C PRO B 61 18.767 -14.069 -3.226 1.00 0.44 C ATOM 2056 O PRO B 61 19.466 -15.065 -3.255 1.00 0.57 O ATOM 2057 CB PRO B 61 17.205 -15.000 -1.487 1.00 0.46 C ATOM 2058 CG PRO B 61 16.826 -16.345 -2.000 1.00 0.46 C ATOM 2059 CD PRO B 61 16.016 -16.121 -3.254 1.00 0.45 C ATOM 0 HA PRO B 61 17.026 -13.097 -2.543 1.00 0.44 H new ATOM 0 HB2 PRO B 61 18.146 -15.036 -0.939 1.00 0.46 H new ATOM 0 HB3 PRO B 61 16.452 -14.611 -0.802 1.00 0.46 H new ATOM 0 HG2 PRO B 61 17.713 -16.941 -2.214 1.00 0.46 H new ATOM 0 HG3 PRO B 61 16.246 -16.893 -1.257 1.00 0.46 H new ATOM 0 HD2 PRO B 61 16.205 -16.897 -3.996 1.00 0.45 H new ATOM 0 HD3 PRO B 61 14.946 -16.132 -3.046 1.00 0.45 H new ATOM 2067 N THR B 62 19.211 -12.903 -3.617 1.00 0.41 N ATOM 2068 CA THR B 62 20.609 -12.745 -4.118 1.00 0.41 C ATOM 2069 C THR B 62 21.609 -13.289 -3.083 1.00 0.39 C ATOM 2070 O THR B 62 21.270 -13.498 -1.935 1.00 0.43 O ATOM 2071 CB THR B 62 20.765 -11.228 -4.342 1.00 0.42 C ATOM 2072 OG1 THR B 62 20.937 -10.976 -5.728 1.00 0.48 O ATOM 2073 CG2 THR B 62 21.972 -10.684 -3.576 1.00 0.41 C ATOM 0 H THR B 62 18.659 -12.045 -3.611 1.00 0.41 H new ATOM 0 HA THR B 62 20.805 -13.302 -5.034 1.00 0.41 H new ATOM 0 HB THR B 62 19.868 -10.728 -3.976 1.00 0.42 H new ATOM 0 HG1 THR B 62 21.035 -10.012 -5.876 1.00 0.48 H new ATOM 0 HG21 THR B 62 22.060 -9.612 -3.750 1.00 0.41 H new ATOM 0 HG22 THR B 62 21.840 -10.869 -2.510 1.00 0.41 H new ATOM 0 HG23 THR B 62 22.877 -11.184 -3.921 1.00 0.41 H new ATOM 2081 N ALA B 63 22.830 -13.525 -3.498 1.00 0.40 N ATOM 2082 CA ALA B 63 23.877 -14.068 -2.573 1.00 0.41 C ATOM 2083 C ALA B 63 23.917 -13.290 -1.252 1.00 0.37 C ATOM 2084 O ALA B 63 23.994 -13.869 -0.185 1.00 0.38 O ATOM 2085 CB ALA B 63 25.194 -13.892 -3.329 1.00 0.46 C ATOM 0 H ALA B 63 23.151 -13.362 -4.452 1.00 0.40 H new ATOM 0 HA ALA B 63 23.678 -15.107 -2.309 1.00 0.41 H new ATOM 0 HB1 ALA B 63 26.016 -14.266 -2.719 1.00 0.46 H new ATOM 0 HB2 ALA B 63 25.154 -14.449 -4.265 1.00 0.46 H new ATOM 0 HB3 ALA B 63 25.352 -12.835 -3.543 1.00 0.46 H new ATOM 2091 N GLY B 64 23.875 -11.986 -1.322 1.00 0.36 N ATOM 2092 CA GLY B 64 23.922 -11.157 -0.079 1.00 0.36 C ATOM 2093 C GLY B 64 22.774 -11.536 0.861 1.00 0.32 C ATOM 2094 O GLY B 64 22.968 -11.681 2.045 1.00 0.34 O ATOM 0 H GLY B 64 23.810 -11.455 -2.191 1.00 0.36 H new ATOM 0 HA2 GLY B 64 24.877 -11.302 0.426 1.00 0.36 H new ATOM 0 HA3 GLY B 64 23.855 -10.100 -0.337 1.00 0.36 H new ATOM 2098 N ILE B 65 21.582 -11.686 0.345 1.00 0.31 N ATOM 2099 CA ILE B 65 20.412 -12.047 1.208 1.00 0.29 C ATOM 2100 C ILE B 65 20.732 -13.274 2.069 1.00 0.29 C ATOM 2101 O ILE B 65 20.353 -13.342 3.222 1.00 0.32 O ATOM 2102 CB ILE B 65 19.270 -12.350 0.227 1.00 0.30 C ATOM 2103 CG1 ILE B 65 18.987 -11.115 -0.640 1.00 0.33 C ATOM 2104 CG2 ILE B 65 18.000 -12.722 0.999 1.00 0.31 C ATOM 2105 CD1 ILE B 65 18.834 -9.880 0.252 1.00 0.33 C ATOM 0 H ILE B 65 21.365 -11.573 -0.645 1.00 0.31 H new ATOM 0 HA ILE B 65 20.151 -11.246 1.899 1.00 0.29 H new ATOM 0 HB ILE B 65 19.566 -13.184 -0.408 1.00 0.30 H new ATOM 0 HG12 ILE B 65 19.800 -10.964 -1.350 1.00 0.33 H new ATOM 0 HG13 ILE B 65 18.079 -11.269 -1.223 1.00 0.33 H new ATOM 0 HG21 ILE B 65 17.196 -12.935 0.295 1.00 0.31 H new ATOM 0 HG22 ILE B 65 18.191 -13.604 1.610 1.00 0.31 H new ATOM 0 HG23 ILE B 65 17.709 -11.892 1.642 1.00 0.31 H new ATOM 0 HD11 ILE B 65 18.633 -9.006 -0.368 1.00 0.33 H new ATOM 0 HD12 ILE B 65 18.006 -10.032 0.944 1.00 0.33 H new ATOM 0 HD13 ILE B 65 19.754 -9.722 0.815 1.00 0.33 H new ATOM 2117 N LEU B 66 21.434 -14.236 1.522 1.00 0.31 N ATOM 2118 CA LEU B 66 21.779 -15.454 2.317 1.00 0.33 C ATOM 2119 C LEU B 66 23.014 -15.188 3.182 1.00 0.32 C ATOM 2120 O LEU B 66 23.016 -15.454 4.369 1.00 0.36 O ATOM 2121 CB LEU B 66 22.072 -16.554 1.287 1.00 0.40 C ATOM 2122 CG LEU B 66 20.786 -16.976 0.554 1.00 0.44 C ATOM 2123 CD1 LEU B 66 19.630 -17.142 1.547 1.00 0.54 C ATOM 2124 CD2 LEU B 66 20.421 -15.913 -0.482 1.00 0.46 C ATOM 0 H LEU B 66 21.782 -14.230 0.563 1.00 0.31 H new ATOM 0 HA LEU B 66 20.971 -15.741 2.990 1.00 0.33 H new ATOM 0 HB2 LEU B 66 22.806 -16.196 0.565 1.00 0.40 H new ATOM 0 HB3 LEU B 66 22.511 -17.418 1.786 1.00 0.40 H new ATOM 0 HG LEU B 66 20.961 -17.931 0.059 1.00 0.44 H new ATOM 0 HD11 LEU B 66 18.729 -17.441 1.010 1.00 0.54 H new ATOM 0 HD12 LEU B 66 19.887 -17.907 2.279 1.00 0.54 H new ATOM 0 HD13 LEU B 66 19.451 -16.196 2.058 1.00 0.54 H new ATOM 0 HD21 LEU B 66 19.510 -16.210 -1.002 1.00 0.46 H new ATOM 0 HD22 LEU B 66 20.258 -14.958 0.018 1.00 0.46 H new ATOM 0 HD23 LEU B 66 21.234 -15.812 -1.201 1.00 0.46 H new ATOM 2136 N LYS B 67 24.063 -14.662 2.597 1.00 0.33 N ATOM 2137 CA LYS B 67 25.299 -14.371 3.389 1.00 0.35 C ATOM 2138 C LYS B 67 24.962 -13.413 4.533 1.00 0.33 C ATOM 2139 O LYS B 67 25.481 -13.526 5.628 1.00 0.38 O ATOM 2140 CB LYS B 67 26.264 -13.710 2.403 1.00 0.39 C ATOM 2141 CG LYS B 67 27.058 -14.788 1.663 1.00 0.40 C ATOM 2142 CD LYS B 67 28.109 -15.389 2.600 1.00 0.43 C ATOM 2143 CE LYS B 67 29.212 -14.361 2.862 1.00 0.55 C ATOM 2144 NZ LYS B 67 29.540 -14.510 4.307 1.00 0.82 N ATOM 0 H LYS B 67 24.117 -14.422 1.607 1.00 0.33 H new ATOM 0 HA LYS B 67 25.731 -15.269 3.832 1.00 0.35 H new ATOM 0 HB2 LYS B 67 25.710 -13.098 1.691 1.00 0.39 H new ATOM 0 HB3 LYS B 67 26.943 -13.044 2.934 1.00 0.39 H new ATOM 0 HG2 LYS B 67 26.386 -15.568 1.307 1.00 0.40 H new ATOM 0 HG3 LYS B 67 27.542 -14.359 0.785 1.00 0.40 H new ATOM 0 HD2 LYS B 67 27.645 -15.687 3.540 1.00 0.43 H new ATOM 0 HD3 LYS B 67 28.535 -16.289 2.156 1.00 0.43 H new ATOM 0 HE2 LYS B 67 30.085 -14.550 2.237 1.00 0.55 H new ATOM 0 HE3 LYS B 67 28.872 -13.350 2.636 1.00 0.55 H new ATOM 0 HZ1 LYS B 67 30.290 -13.837 4.564 1.00 0.82 H new ATOM 0 HZ2 LYS B 67 28.692 -14.317 4.877 1.00 0.82 H new ATOM 0 HZ3 LYS B 67 29.867 -15.480 4.490 1.00 0.82 H new ATOM 2158 N ARG B 68 24.084 -12.478 4.279 1.00 0.28 N ATOM 2159 CA ARG B 68 23.681 -11.507 5.334 1.00 0.28 C ATOM 2160 C ARG B 68 22.666 -12.172 6.273 1.00 0.27 C ATOM 2161 O ARG B 68 22.578 -11.846 7.441 1.00 0.30 O ATOM 2162 CB ARG B 68 23.072 -10.316 4.567 1.00 0.29 C ATOM 2163 CG ARG B 68 21.568 -10.510 4.347 1.00 0.32 C ATOM 2164 CD ARG B 68 20.993 -9.268 3.661 1.00 0.36 C ATOM 2165 NE ARG B 68 20.720 -8.315 4.773 1.00 0.46 N ATOM 2166 CZ ARG B 68 21.303 -7.146 4.797 1.00 0.55 C ATOM 2167 NH1 ARG B 68 22.527 -7.014 4.358 1.00 0.58 N ATOM 2168 NH2 ARG B 68 20.663 -6.108 5.261 1.00 0.72 N ATOM 0 H ARG B 68 23.626 -12.346 3.377 1.00 0.28 H new ATOM 0 HA ARG B 68 24.510 -11.177 5.960 1.00 0.28 H new ATOM 0 HB2 ARG B 68 23.245 -9.395 5.123 1.00 0.29 H new ATOM 0 HB3 ARG B 68 23.572 -10.206 3.605 1.00 0.29 H new ATOM 0 HG2 ARG B 68 21.389 -11.394 3.734 1.00 0.32 H new ATOM 0 HG3 ARG B 68 21.068 -10.677 5.301 1.00 0.32 H new ATOM 0 HD2 ARG B 68 21.699 -8.849 2.944 1.00 0.36 H new ATOM 0 HD3 ARG B 68 20.083 -9.505 3.110 1.00 0.36 H new ATOM 0 HE ARG B 68 20.075 -8.576 5.519 1.00 0.46 H new ATOM 0 HH11 ARG B 68 23.029 -7.825 3.996 1.00 0.58 H new ATOM 0 HH12 ARG B 68 22.980 -6.100 4.378 1.00 0.58 H new ATOM 0 HH21 ARG B 68 19.708 -6.209 5.605 1.00 0.72 H new ATOM 0 HH22 ARG B 68 21.118 -5.195 5.280 1.00 0.72 H new ATOM 2182 N TRP B 69 21.911 -13.109 5.752 1.00 0.26 N ATOM 2183 CA TRP B 69 20.888 -13.840 6.569 1.00 0.26 C ATOM 2184 C TRP B 69 21.456 -14.279 7.926 1.00 0.27 C ATOM 2185 O TRP B 69 20.761 -14.279 8.924 1.00 0.32 O ATOM 2186 CB TRP B 69 20.569 -15.073 5.729 1.00 0.28 C ATOM 2187 CG TRP B 69 19.195 -15.571 6.028 1.00 0.24 C ATOM 2188 CD1 TRP B 69 18.918 -16.805 6.502 1.00 0.26 C ATOM 2189 CD2 TRP B 69 17.912 -14.892 5.873 1.00 0.23 C ATOM 2190 NE1 TRP B 69 17.553 -16.932 6.645 1.00 0.26 N ATOM 2191 CE2 TRP B 69 16.888 -15.785 6.271 1.00 0.24 C ATOM 2192 CE3 TRP B 69 17.533 -13.607 5.430 1.00 0.26 C ATOM 2193 CZ2 TRP B 69 15.545 -15.423 6.231 1.00 0.28 C ATOM 2194 CZ3 TRP B 69 16.178 -13.244 5.391 1.00 0.31 C ATOM 2195 CH2 TRP B 69 15.190 -14.152 5.790 1.00 0.31 C ATOM 0 H TRP B 69 21.961 -13.404 4.777 1.00 0.26 H new ATOM 0 HA TRP B 69 20.021 -13.216 6.786 1.00 0.26 H new ATOM 0 HB2 TRP B 69 20.651 -14.829 4.670 1.00 0.28 H new ATOM 0 HB3 TRP B 69 21.298 -15.857 5.933 1.00 0.28 H new ATOM 0 HD1 TRP B 69 19.647 -17.568 6.732 1.00 0.26 H new ATOM 0 HE1 TRP B 69 17.091 -17.774 6.987 1.00 0.26 H new ATOM 0 HE3 TRP B 69 18.288 -12.900 5.120 1.00 0.26 H new ATOM 0 HZ2 TRP B 69 14.784 -16.124 6.540 1.00 0.28 H new ATOM 0 HZ3 TRP B 69 15.896 -12.258 5.051 1.00 0.31 H new ATOM 0 HH2 TRP B 69 14.149 -13.865 5.755 1.00 0.31 H new ATOM 2206 N GLY B 70 22.706 -14.674 7.960 1.00 0.28 N ATOM 2207 CA GLY B 70 23.314 -15.141 9.244 1.00 0.31 C ATOM 2208 C GLY B 70 24.318 -14.114 9.774 1.00 0.31 C ATOM 2209 O GLY B 70 25.327 -14.472 10.353 1.00 0.36 O ATOM 0 H GLY B 70 23.331 -14.693 7.154 1.00 0.28 H new ATOM 0 HA2 GLY B 70 22.531 -15.306 9.984 1.00 0.31 H new ATOM 0 HA3 GLY B 70 23.813 -16.098 9.089 1.00 0.31 H new ATOM 2213 N THR B 71 24.050 -12.845 9.598 1.00 0.32 N ATOM 2214 CA THR B 71 24.994 -11.807 10.112 1.00 0.35 C ATOM 2215 C THR B 71 24.268 -10.474 10.334 1.00 0.36 C ATOM 2216 O THR B 71 24.886 -9.426 10.380 1.00 0.43 O ATOM 2217 CB THR B 71 26.085 -11.684 9.036 1.00 0.37 C ATOM 2218 OG1 THR B 71 27.291 -11.242 9.642 1.00 0.47 O ATOM 2219 CG2 THR B 71 25.665 -10.684 7.955 1.00 0.43 C ATOM 0 H THR B 71 23.223 -12.484 9.123 1.00 0.32 H new ATOM 0 HA THR B 71 25.419 -12.080 11.078 1.00 0.35 H new ATOM 0 HB THR B 71 26.234 -12.659 8.572 1.00 0.37 H new ATOM 0 HG1 THR B 71 27.990 -11.164 8.960 1.00 0.47 H new ATOM 0 HG21 THR B 71 26.450 -10.611 7.202 1.00 0.43 H new ATOM 0 HG22 THR B 71 24.742 -11.023 7.485 1.00 0.43 H new ATOM 0 HG23 THR B 71 25.504 -9.706 8.407 1.00 0.43 H new ATOM 2227 N ILE B 72 22.965 -10.506 10.482 1.00 0.36 N ATOM 2228 CA ILE B 72 22.206 -9.241 10.711 1.00 0.38 C ATOM 2229 C ILE B 72 21.835 -9.117 12.198 1.00 0.38 C ATOM 2230 O ILE B 72 22.690 -9.216 13.058 1.00 0.47 O ATOM 2231 CB ILE B 72 20.965 -9.340 9.814 1.00 0.39 C ATOM 2232 CG1 ILE B 72 20.136 -10.568 10.199 1.00 0.37 C ATOM 2233 CG2 ILE B 72 21.394 -9.454 8.350 1.00 0.45 C ATOM 2234 CD1 ILE B 72 18.651 -10.244 10.024 1.00 0.40 C ATOM 0 H ILE B 72 22.397 -11.353 10.454 1.00 0.36 H new ATOM 0 HA ILE B 72 22.786 -8.351 10.466 1.00 0.38 H new ATOM 0 HB ILE B 72 20.360 -8.443 9.948 1.00 0.39 H new ATOM 0 HG12 ILE B 72 20.411 -11.418 9.575 1.00 0.37 H new ATOM 0 HG13 ILE B 72 20.340 -10.851 11.232 1.00 0.37 H new ATOM 0 HG21 ILE B 72 20.510 -9.524 7.716 1.00 0.45 H new ATOM 0 HG22 ILE B 72 21.972 -8.573 8.071 1.00 0.45 H new ATOM 0 HG23 ILE B 72 22.006 -10.346 8.219 1.00 0.45 H new ATOM 0 HD11 ILE B 72 18.054 -11.114 10.296 1.00 0.40 H new ATOM 0 HD12 ILE B 72 18.383 -9.405 10.666 1.00 0.40 H new ATOM 0 HD13 ILE B 72 18.456 -9.981 8.984 1.00 0.40 H new ATOM 2246 N LYS B 73 20.583 -8.886 12.509 1.00 0.41 N ATOM 2247 CA LYS B 73 20.177 -8.737 13.939 1.00 0.43 C ATOM 2248 C LYS B 73 19.236 -9.854 14.373 1.00 0.38 C ATOM 2249 O LYS B 73 19.285 -10.308 15.499 1.00 0.40 O ATOM 2250 CB LYS B 73 19.439 -7.404 13.989 1.00 0.46 C ATOM 2251 CG LYS B 73 19.119 -7.051 15.438 1.00 0.56 C ATOM 2252 CD LYS B 73 20.123 -6.017 15.952 1.00 0.61 C ATOM 2253 CE LYS B 73 20.519 -6.358 17.390 1.00 0.58 C ATOM 2254 NZ LYS B 73 21.785 -7.134 17.264 1.00 0.53 N ATOM 0 H LYS B 73 19.825 -8.794 11.833 1.00 0.41 H new ATOM 0 HA LYS B 73 21.040 -8.780 14.604 1.00 0.43 H new ATOM 0 HB2 LYS B 73 20.050 -6.621 13.540 1.00 0.46 H new ATOM 0 HB3 LYS B 73 18.519 -7.464 13.407 1.00 0.46 H new ATOM 0 HG2 LYS B 73 18.106 -6.655 15.511 1.00 0.56 H new ATOM 0 HG3 LYS B 73 19.156 -7.947 16.057 1.00 0.56 H new ATOM 0 HD2 LYS B 73 21.007 -6.005 15.314 1.00 0.61 H new ATOM 0 HD3 LYS B 73 19.686 -5.019 15.911 1.00 0.61 H new ATOM 0 HE2 LYS B 73 20.666 -5.456 17.984 1.00 0.58 H new ATOM 0 HE3 LYS B 73 19.744 -6.943 17.885 1.00 0.58 H new ATOM 0 HZ1 LYS B 73 22.121 -7.405 18.210 1.00 0.53 H new ATOM 0 HZ2 LYS B 73 21.613 -7.990 16.699 1.00 0.53 H new ATOM 0 HZ3 LYS B 73 22.506 -6.549 16.795 1.00 0.53 H new ATOM 2268 N LYS B 74 18.362 -10.263 13.494 1.00 0.33 N ATOM 2269 CA LYS B 74 17.356 -11.328 13.811 1.00 0.30 C ATOM 2270 C LYS B 74 16.288 -10.778 14.762 1.00 0.28 C ATOM 2271 O LYS B 74 15.107 -10.958 14.542 1.00 0.27 O ATOM 2272 CB LYS B 74 18.093 -12.508 14.472 1.00 0.33 C ATOM 2273 CG LYS B 74 19.422 -12.814 13.773 1.00 0.35 C ATOM 2274 CD LYS B 74 19.252 -12.826 12.256 1.00 0.34 C ATOM 2275 CE LYS B 74 18.693 -14.179 11.834 1.00 0.34 C ATOM 2276 NZ LYS B 74 19.883 -15.066 11.714 1.00 0.32 N ATOM 0 H LYS B 74 18.299 -9.896 12.544 1.00 0.33 H new ATOM 0 HA LYS B 74 16.863 -11.659 12.897 1.00 0.30 H new ATOM 0 HB2 LYS B 74 18.279 -12.278 15.521 1.00 0.33 H new ATOM 0 HB3 LYS B 74 17.457 -13.393 14.447 1.00 0.33 H new ATOM 0 HG2 LYS B 74 20.165 -12.067 14.053 1.00 0.35 H new ATOM 0 HG3 LYS B 74 19.799 -13.780 14.108 1.00 0.35 H new ATOM 0 HD2 LYS B 74 18.579 -12.027 11.946 1.00 0.34 H new ATOM 0 HD3 LYS B 74 20.209 -12.645 11.768 1.00 0.34 H new ATOM 0 HE2 LYS B 74 17.988 -14.562 12.571 1.00 0.34 H new ATOM 0 HE3 LYS B 74 18.157 -14.107 10.888 1.00 0.34 H new ATOM 0 HZ1 LYS B 74 19.596 -16.054 11.865 1.00 0.32 H new ATOM 0 HZ2 LYS B 74 20.296 -14.967 10.765 1.00 0.32 H new ATOM 0 HZ3 LYS B 74 20.590 -14.797 12.428 1.00 0.32 H new ATOM 2290 N SER B 75 16.689 -10.105 15.812 1.00 0.31 N ATOM 2291 CA SER B 75 15.686 -9.548 16.766 1.00 0.32 C ATOM 2292 C SER B 75 14.783 -8.560 16.033 1.00 0.30 C ATOM 2293 O SER B 75 13.576 -8.598 16.162 1.00 0.31 O ATOM 2294 CB SER B 75 16.503 -8.843 17.851 1.00 0.37 C ATOM 2295 OG SER B 75 17.109 -7.678 17.308 1.00 0.48 O ATOM 0 H SER B 75 17.664 -9.919 16.048 1.00 0.31 H new ATOM 0 HA SER B 75 15.043 -10.317 17.196 1.00 0.32 H new ATOM 0 HB2 SER B 75 15.859 -8.574 18.688 1.00 0.37 H new ATOM 0 HB3 SER B 75 17.267 -9.516 18.240 1.00 0.37 H new ATOM 0 HG SER B 75 17.496 -7.143 18.032 1.00 0.48 H new ATOM 2301 N LYS B 76 15.365 -7.686 15.255 1.00 0.31 N ATOM 2302 CA LYS B 76 14.553 -6.695 14.496 1.00 0.31 C ATOM 2303 C LYS B 76 13.874 -7.378 13.304 1.00 0.32 C ATOM 2304 O LYS B 76 12.792 -6.999 12.900 1.00 0.38 O ATOM 2305 CB LYS B 76 15.553 -5.640 14.023 1.00 0.36 C ATOM 2306 CG LYS B 76 16.001 -4.788 15.216 1.00 0.38 C ATOM 2307 CD LYS B 76 15.754 -3.306 14.916 1.00 0.43 C ATOM 2308 CE LYS B 76 14.254 -3.061 14.724 1.00 0.44 C ATOM 2309 NZ LYS B 76 13.843 -2.242 15.898 1.00 0.39 N ATOM 0 H LYS B 76 16.373 -7.617 15.113 1.00 0.31 H new ATOM 0 HA LYS B 76 13.761 -6.254 15.101 1.00 0.31 H new ATOM 0 HB2 LYS B 76 16.415 -6.122 13.563 1.00 0.36 H new ATOM 0 HB3 LYS B 76 15.097 -5.007 13.262 1.00 0.36 H new ATOM 0 HG2 LYS B 76 15.454 -5.083 16.111 1.00 0.38 H new ATOM 0 HG3 LYS B 76 17.059 -4.956 15.418 1.00 0.38 H new ATOM 0 HD2 LYS B 76 16.131 -2.692 15.734 1.00 0.43 H new ATOM 0 HD3 LYS B 76 16.298 -3.011 14.019 1.00 0.43 H new ATOM 0 HE2 LYS B 76 14.056 -2.537 13.789 1.00 0.44 H new ATOM 0 HE3 LYS B 76 13.703 -4.000 14.686 1.00 0.44 H new ATOM 0 HZ1 LYS B 76 12.826 -2.034 15.837 1.00 0.39 H new ATOM 0 HZ2 LYS B 76 14.036 -2.769 16.774 1.00 0.39 H new ATOM 0 HZ3 LYS B 76 14.379 -1.351 15.904 1.00 0.39 H new ATOM 2323 N ALA B 77 14.500 -8.389 12.745 1.00 0.31 N ATOM 2324 CA ALA B 77 13.886 -9.105 11.583 1.00 0.33 C ATOM 2325 C ALA B 77 12.725 -9.976 12.063 1.00 0.31 C ATOM 2326 O ALA B 77 11.622 -9.891 11.556 1.00 0.34 O ATOM 2327 CB ALA B 77 14.997 -9.986 11.008 1.00 0.36 C ATOM 0 H ALA B 77 15.407 -8.747 13.044 1.00 0.31 H new ATOM 0 HA ALA B 77 13.494 -8.411 10.840 1.00 0.33 H new ATOM 0 HB1 ALA B 77 14.615 -10.540 10.151 1.00 0.36 H new ATOM 0 HB2 ALA B 77 15.831 -9.360 10.692 1.00 0.36 H new ATOM 0 HB3 ALA B 77 15.337 -10.686 11.771 1.00 0.36 H new ATOM 2333 N ILE B 78 12.970 -10.812 13.039 1.00 0.30 N ATOM 2334 CA ILE B 78 11.887 -11.693 13.563 1.00 0.30 C ATOM 2335 C ILE B 78 10.734 -10.831 14.087 1.00 0.30 C ATOM 2336 O ILE B 78 9.578 -11.127 13.849 1.00 0.34 O ATOM 2337 CB ILE B 78 12.541 -12.511 14.681 1.00 0.31 C ATOM 2338 CG1 ILE B 78 13.621 -13.413 14.069 1.00 0.33 C ATOM 2339 CG2 ILE B 78 11.485 -13.376 15.377 1.00 0.37 C ATOM 2340 CD1 ILE B 78 14.716 -13.702 15.100 1.00 0.34 C ATOM 0 H ILE B 78 13.875 -10.922 13.496 1.00 0.30 H new ATOM 0 HA ILE B 78 11.464 -12.348 12.801 1.00 0.30 H new ATOM 0 HB ILE B 78 12.989 -11.839 15.413 1.00 0.31 H new ATOM 0 HG12 ILE B 78 13.175 -14.348 13.730 1.00 0.33 H new ATOM 0 HG13 ILE B 78 14.054 -12.930 13.193 1.00 0.33 H new ATOM 0 HG21 ILE B 78 11.955 -13.956 16.171 1.00 0.37 H new ATOM 0 HG22 ILE B 78 10.713 -12.735 15.804 1.00 0.37 H new ATOM 0 HG23 ILE B 78 11.034 -14.053 14.652 1.00 0.37 H new ATOM 0 HD11 ILE B 78 15.476 -14.343 14.653 1.00 0.34 H new ATOM 0 HD12 ILE B 78 15.173 -12.765 15.418 1.00 0.34 H new ATOM 0 HD13 ILE B 78 14.279 -14.204 15.963 1.00 0.34 H new ATOM 2352 N ASN B 79 11.037 -9.751 14.768 1.00 0.28 N ATOM 2353 CA ASN B 79 9.946 -8.859 15.264 1.00 0.29 C ATOM 2354 C ASN B 79 9.231 -8.258 14.056 1.00 0.29 C ATOM 2355 O ASN B 79 8.023 -8.107 14.043 1.00 0.34 O ATOM 2356 CB ASN B 79 10.639 -7.766 16.079 1.00 0.31 C ATOM 2357 CG ASN B 79 10.707 -8.191 17.547 1.00 0.34 C ATOM 2358 OD1 ASN B 79 9.697 -8.504 18.148 1.00 0.41 O ATOM 2359 ND2 ASN B 79 11.861 -8.218 18.155 1.00 0.41 N ATOM 0 H ASN B 79 11.984 -9.452 14.999 1.00 0.28 H new ATOM 0 HA ASN B 79 9.210 -9.385 15.872 1.00 0.29 H new ATOM 0 HB2 ASN B 79 11.643 -7.591 15.693 1.00 0.31 H new ATOM 0 HB3 ASN B 79 10.094 -6.827 15.986 1.00 0.31 H new ATOM 0 HD21 ASN B 79 11.915 -8.501 19.133 1.00 0.41 H new ATOM 0 HD22 ASN B 79 12.709 -7.956 17.652 1.00 0.41 H new ATOM 2366 N VAL B 80 9.980 -7.939 13.029 1.00 0.28 N ATOM 2367 CA VAL B 80 9.371 -7.373 11.791 1.00 0.30 C ATOM 2368 C VAL B 80 8.435 -8.419 11.181 1.00 0.29 C ATOM 2369 O VAL B 80 7.285 -8.144 10.894 1.00 0.32 O ATOM 2370 CB VAL B 80 10.562 -7.077 10.865 1.00 0.34 C ATOM 2371 CG1 VAL B 80 10.233 -7.479 9.427 1.00 0.36 C ATOM 2372 CG2 VAL B 80 10.880 -5.580 10.911 1.00 0.49 C ATOM 0 H VAL B 80 10.994 -8.048 12.998 1.00 0.28 H new ATOM 0 HA VAL B 80 8.781 -6.474 11.967 1.00 0.30 H new ATOM 0 HB VAL B 80 11.423 -7.652 11.204 1.00 0.34 H new ATOM 0 HG11 VAL B 80 11.087 -7.263 8.784 1.00 0.36 H new ATOM 0 HG12 VAL B 80 10.011 -8.545 9.389 1.00 0.36 H new ATOM 0 HG13 VAL B 80 9.366 -6.916 9.081 1.00 0.36 H new ATOM 0 HG21 VAL B 80 11.724 -5.367 10.255 1.00 0.49 H new ATOM 0 HG22 VAL B 80 10.010 -5.013 10.579 1.00 0.49 H new ATOM 0 HG23 VAL B 80 11.132 -5.293 11.932 1.00 0.49 H new ATOM 2382 N LEU B 81 8.926 -9.621 10.995 1.00 0.31 N ATOM 2383 CA LEU B 81 8.072 -10.702 10.418 1.00 0.32 C ATOM 2384 C LEU B 81 6.831 -10.888 11.290 1.00 0.33 C ATOM 2385 O LEU B 81 5.747 -11.138 10.797 1.00 0.37 O ATOM 2386 CB LEU B 81 8.946 -11.957 10.429 1.00 0.34 C ATOM 2387 CG LEU B 81 9.292 -12.346 8.988 1.00 0.35 C ATOM 2388 CD1 LEU B 81 10.695 -11.843 8.644 1.00 0.60 C ATOM 2389 CD2 LEU B 81 9.247 -13.869 8.840 1.00 0.40 C ATOM 0 H LEU B 81 9.882 -9.898 11.219 1.00 0.31 H new ATOM 0 HA LEU B 81 7.726 -10.474 9.410 1.00 0.32 H new ATOM 0 HB2 LEU B 81 9.858 -11.774 10.997 1.00 0.34 H new ATOM 0 HB3 LEU B 81 8.421 -12.775 10.923 1.00 0.34 H new ATOM 0 HG LEU B 81 8.567 -11.895 8.310 1.00 0.35 H new ATOM 0 HD11 LEU B 81 10.940 -12.120 7.619 1.00 0.60 H new ATOM 0 HD12 LEU B 81 10.727 -10.758 8.744 1.00 0.60 H new ATOM 0 HD13 LEU B 81 11.419 -12.292 9.324 1.00 0.60 H new ATOM 0 HD21 LEU B 81 9.494 -14.142 7.814 1.00 0.40 H new ATOM 0 HD22 LEU B 81 9.969 -14.322 9.520 1.00 0.40 H new ATOM 0 HD23 LEU B 81 8.247 -14.229 9.081 1.00 0.40 H new ATOM 2401 N ARG B 82 6.980 -10.734 12.580 1.00 0.34 N ATOM 2402 CA ARG B 82 5.804 -10.864 13.485 1.00 0.37 C ATOM 2403 C ARG B 82 4.892 -9.658 13.263 1.00 0.36 C ATOM 2404 O ARG B 82 3.681 -9.776 13.205 1.00 0.41 O ATOM 2405 CB ARG B 82 6.379 -10.857 14.903 1.00 0.40 C ATOM 2406 CG ARG B 82 5.315 -11.342 15.893 1.00 0.45 C ATOM 2407 CD ARG B 82 5.736 -12.692 16.482 1.00 0.49 C ATOM 2408 NE ARG B 82 6.255 -12.373 17.841 1.00 0.57 N ATOM 2409 CZ ARG B 82 7.411 -11.783 17.977 1.00 0.58 C ATOM 2410 NH1 ARG B 82 8.513 -12.445 17.752 1.00 0.68 N ATOM 2411 NH2 ARG B 82 7.465 -10.529 18.336 1.00 0.66 N ATOM 0 H ARG B 82 7.864 -10.524 13.043 1.00 0.34 H new ATOM 0 HA ARG B 82 5.221 -11.768 13.307 1.00 0.37 H new ATOM 0 HB2 ARG B 82 7.257 -11.501 14.953 1.00 0.40 H new ATOM 0 HB3 ARG B 82 6.706 -9.852 15.169 1.00 0.40 H new ATOM 0 HG2 ARG B 82 5.186 -10.610 16.691 1.00 0.45 H new ATOM 0 HG3 ARG B 82 4.353 -11.438 15.390 1.00 0.45 H new ATOM 0 HD2 ARG B 82 4.893 -13.381 16.533 1.00 0.49 H new ATOM 0 HD3 ARG B 82 6.501 -13.169 15.869 1.00 0.49 H new ATOM 0 HE ARG B 82 5.707 -12.616 18.666 1.00 0.57 H new ATOM 0 HH11 ARG B 82 8.471 -13.424 17.470 1.00 0.68 H new ATOM 0 HH12 ARG B 82 9.416 -11.983 17.858 1.00 0.68 H new ATOM 0 HH21 ARG B 82 6.604 -10.011 18.510 1.00 0.66 H new ATOM 0 HH22 ARG B 82 8.368 -10.067 18.442 1.00 0.66 H new ATOM 2425 N GLY B 83 5.482 -8.497 13.110 1.00 0.34 N ATOM 2426 CA GLY B 83 4.678 -7.269 12.861 1.00 0.36 C ATOM 2427 C GLY B 83 3.959 -7.428 11.524 1.00 0.33 C ATOM 2428 O GLY B 83 2.834 -6.997 11.359 1.00 0.35 O ATOM 0 H GLY B 83 6.491 -8.351 13.148 1.00 0.34 H new ATOM 0 HA2 GLY B 83 3.957 -7.118 13.664 1.00 0.36 H new ATOM 0 HA3 GLY B 83 5.323 -6.390 12.843 1.00 0.36 H new ATOM 2432 N PHE B 84 4.599 -8.069 10.573 1.00 0.33 N ATOM 2433 CA PHE B 84 3.950 -8.284 9.248 1.00 0.34 C ATOM 2434 C PHE B 84 2.710 -9.154 9.446 1.00 0.31 C ATOM 2435 O PHE B 84 1.660 -8.890 8.892 1.00 0.32 O ATOM 2436 CB PHE B 84 4.988 -9.018 8.391 1.00 0.38 C ATOM 2437 CG PHE B 84 5.923 -8.037 7.729 1.00 0.40 C ATOM 2438 CD1 PHE B 84 5.430 -6.861 7.153 1.00 0.50 C ATOM 2439 CD2 PHE B 84 7.293 -8.318 7.680 1.00 0.46 C ATOM 2440 CE1 PHE B 84 6.309 -5.969 6.533 1.00 0.57 C ATOM 2441 CE2 PHE B 84 8.167 -7.428 7.058 1.00 0.52 C ATOM 2442 CZ PHE B 84 7.676 -6.255 6.487 1.00 0.54 C ATOM 0 H PHE B 84 5.541 -8.450 10.661 1.00 0.33 H new ATOM 0 HA PHE B 84 3.640 -7.352 8.775 1.00 0.34 H new ATOM 0 HB2 PHE B 84 5.558 -9.708 9.013 1.00 0.38 H new ATOM 0 HB3 PHE B 84 4.483 -9.616 7.632 1.00 0.38 H new ATOM 0 HD1 PHE B 84 4.373 -6.643 7.188 1.00 0.50 H new ATOM 0 HD2 PHE B 84 7.674 -9.226 8.125 1.00 0.46 H new ATOM 0 HE1 PHE B 84 5.932 -5.059 6.090 1.00 0.57 H new ATOM 0 HE2 PHE B 84 9.224 -7.647 7.018 1.00 0.52 H new ATOM 0 HZ PHE B 84 8.354 -5.565 6.007 1.00 0.54 H new ATOM 2452 N ARG B 85 2.826 -10.181 10.255 1.00 0.32 N ATOM 2453 CA ARG B 85 1.654 -11.066 10.518 1.00 0.32 C ATOM 2454 C ARG B 85 0.522 -10.232 11.119 1.00 0.30 C ATOM 2455 O ARG B 85 -0.640 -10.446 10.832 1.00 0.33 O ATOM 2456 CB ARG B 85 2.149 -12.112 11.521 1.00 0.37 C ATOM 2457 CG ARG B 85 0.997 -13.050 11.895 1.00 0.38 C ATOM 2458 CD ARG B 85 0.374 -12.583 13.220 1.00 0.52 C ATOM 2459 NE ARG B 85 -0.951 -13.274 13.339 1.00 0.36 N ATOM 2460 CZ ARG B 85 -1.727 -13.431 12.297 1.00 0.39 C ATOM 2461 NH1 ARG B 85 -2.548 -12.481 11.940 1.00 0.54 N ATOM 2462 NH2 ARG B 85 -1.680 -14.541 11.615 1.00 0.46 N ATOM 0 H ARG B 85 3.683 -10.442 10.743 1.00 0.32 H new ATOM 0 HA ARG B 85 1.272 -11.539 9.613 1.00 0.32 H new ATOM 0 HB2 ARG B 85 2.971 -12.683 11.090 1.00 0.37 H new ATOM 0 HB3 ARG B 85 2.536 -11.620 12.414 1.00 0.37 H new ATOM 0 HG2 ARG B 85 0.244 -13.053 11.107 1.00 0.38 H new ATOM 0 HG3 ARG B 85 1.362 -14.073 11.991 1.00 0.38 H new ATOM 0 HD2 ARG B 85 1.019 -12.835 14.061 1.00 0.52 H new ATOM 0 HD3 ARG B 85 0.248 -11.500 13.228 1.00 0.52 H new ATOM 0 HE ARG B 85 -1.253 -13.628 14.247 1.00 0.36 H new ATOM 0 HH11 ARG B 85 -2.586 -11.613 12.474 1.00 0.54 H new ATOM 0 HH12 ARG B 85 -3.151 -12.607 11.127 1.00 0.54 H new ATOM 0 HH21 ARG B 85 -1.040 -15.284 11.894 1.00 0.46 H new ATOM 0 HH22 ARG B 85 -2.284 -14.666 10.802 1.00 0.46 H new ATOM 2476 N LYS B 86 0.858 -9.271 11.941 1.00 0.31 N ATOM 2477 CA LYS B 86 -0.197 -8.408 12.545 1.00 0.31 C ATOM 2478 C LYS B 86 -0.670 -7.391 11.506 1.00 0.29 C ATOM 2479 O LYS B 86 -1.837 -7.049 11.443 1.00 0.32 O ATOM 2480 CB LYS B 86 0.471 -7.710 13.729 1.00 0.35 C ATOM 2481 CG LYS B 86 -0.537 -7.575 14.875 1.00 0.46 C ATOM 2482 CD LYS B 86 -0.918 -8.967 15.392 1.00 0.57 C ATOM 2483 CE LYS B 86 -2.298 -9.360 14.852 1.00 0.52 C ATOM 2484 NZ LYS B 86 -3.218 -9.237 16.017 1.00 0.61 N ATOM 0 H LYS B 86 1.814 -9.048 12.218 1.00 0.31 H new ATOM 0 HA LYS B 86 -1.070 -8.975 12.869 1.00 0.31 H new ATOM 0 HB2 LYS B 86 1.339 -8.280 14.059 1.00 0.35 H new ATOM 0 HB3 LYS B 86 0.831 -6.726 13.429 1.00 0.35 H new ATOM 0 HG2 LYS B 86 -0.108 -6.981 15.682 1.00 0.46 H new ATOM 0 HG3 LYS B 86 -1.427 -7.048 14.530 1.00 0.46 H new ATOM 0 HD2 LYS B 86 -0.173 -9.698 15.079 1.00 0.57 H new ATOM 0 HD3 LYS B 86 -0.929 -8.970 16.482 1.00 0.57 H new ATOM 0 HE2 LYS B 86 -2.604 -8.704 14.037 1.00 0.52 H new ATOM 0 HE3 LYS B 86 -2.293 -10.377 14.459 1.00 0.52 H new ATOM 0 HZ1 LYS B 86 -4.184 -9.490 15.725 1.00 0.61 H new ATOM 0 HZ2 LYS B 86 -2.906 -9.877 16.775 1.00 0.61 H new ATOM 0 HZ3 LYS B 86 -3.208 -8.257 16.366 1.00 0.61 H new ATOM 2498 N GLU B 87 0.229 -6.923 10.677 1.00 0.28 N ATOM 2499 CA GLU B 87 -0.159 -5.944 9.620 1.00 0.28 C ATOM 2500 C GLU B 87 -1.065 -6.637 8.603 1.00 0.27 C ATOM 2501 O GLU B 87 -2.004 -6.055 8.091 1.00 0.31 O ATOM 2502 CB GLU B 87 1.156 -5.514 8.968 1.00 0.29 C ATOM 2503 CG GLU B 87 1.801 -4.404 9.800 1.00 0.31 C ATOM 2504 CD GLU B 87 2.771 -3.608 8.924 1.00 0.31 C ATOM 2505 OE1 GLU B 87 3.593 -4.227 8.270 1.00 0.38 O ATOM 2506 OE2 GLU B 87 2.674 -2.392 8.922 1.00 0.36 O ATOM 0 H GLU B 87 1.217 -7.178 10.688 1.00 0.28 H new ATOM 0 HA GLU B 87 -0.704 -5.087 10.016 1.00 0.28 H new ATOM 0 HB2 GLU B 87 1.832 -6.366 8.893 1.00 0.29 H new ATOM 0 HB3 GLU B 87 0.972 -5.162 7.953 1.00 0.29 H new ATOM 0 HG2 GLU B 87 1.033 -3.744 10.203 1.00 0.31 H new ATOM 0 HG3 GLU B 87 2.331 -4.833 10.650 1.00 0.31 H new ATOM 2513 N ILE B 88 -0.794 -7.887 8.320 1.00 0.27 N ATOM 2514 CA ILE B 88 -1.641 -8.639 7.350 1.00 0.28 C ATOM 2515 C ILE B 88 -3.012 -8.900 7.981 1.00 0.28 C ATOM 2516 O ILE B 88 -4.037 -8.782 7.334 1.00 0.29 O ATOM 2517 CB ILE B 88 -0.867 -9.942 7.068 1.00 0.30 C ATOM 2518 CG1 ILE B 88 -0.891 -10.232 5.564 1.00 0.34 C ATOM 2519 CG2 ILE B 88 -1.487 -11.127 7.820 1.00 0.33 C ATOM 2520 CD1 ILE B 88 0.493 -10.702 5.113 1.00 0.57 C ATOM 0 H ILE B 88 -0.021 -8.418 8.721 1.00 0.27 H new ATOM 0 HA ILE B 88 -1.826 -8.099 6.421 1.00 0.28 H new ATOM 0 HB ILE B 88 0.159 -9.812 7.412 1.00 0.30 H new ATOM 0 HG12 ILE B 88 -1.636 -10.996 5.342 1.00 0.34 H new ATOM 0 HG13 ILE B 88 -1.179 -9.336 5.015 1.00 0.34 H new ATOM 0 HG21 ILE B 88 -0.921 -12.033 7.602 1.00 0.33 H new ATOM 0 HG22 ILE B 88 -1.461 -10.932 8.892 1.00 0.33 H new ATOM 0 HG23 ILE B 88 -2.521 -11.260 7.501 1.00 0.33 H new ATOM 0 HD11 ILE B 88 0.476 -10.908 4.043 1.00 0.57 H new ATOM 0 HD12 ILE B 88 1.227 -9.924 5.321 1.00 0.57 H new ATOM 0 HD13 ILE B 88 0.763 -11.609 5.653 1.00 0.57 H new ATOM 2532 N GLY B 89 -3.034 -9.228 9.252 1.00 0.31 N ATOM 2533 CA GLY B 89 -4.333 -9.473 9.943 1.00 0.33 C ATOM 2534 C GLY B 89 -5.151 -8.185 9.895 1.00 0.30 C ATOM 2535 O GLY B 89 -6.365 -8.206 9.809 1.00 0.33 O ATOM 0 H GLY B 89 -2.206 -9.336 9.838 1.00 0.31 H new ATOM 0 HA2 GLY B 89 -4.874 -10.285 9.457 1.00 0.33 H new ATOM 0 HA3 GLY B 89 -4.162 -9.776 10.976 1.00 0.33 H new ATOM 2539 N ARG B 90 -4.482 -7.061 9.931 1.00 0.29 N ATOM 2540 CA ARG B 90 -5.199 -5.759 9.866 1.00 0.28 C ATOM 2541 C ARG B 90 -5.772 -5.568 8.462 1.00 0.26 C ATOM 2542 O ARG B 90 -6.884 -5.099 8.298 1.00 0.26 O ATOM 2543 CB ARG B 90 -4.137 -4.698 10.158 1.00 0.30 C ATOM 2544 CG ARG B 90 -4.086 -4.422 11.661 1.00 0.32 C ATOM 2545 CD ARG B 90 -3.020 -3.361 11.945 1.00 0.33 C ATOM 2546 NE ARG B 90 -3.462 -2.698 13.204 1.00 0.37 N ATOM 2547 CZ ARG B 90 -3.008 -1.514 13.512 1.00 0.39 C ATOM 2548 NH1 ARG B 90 -2.990 -0.567 12.614 1.00 0.39 N ATOM 2549 NH2 ARG B 90 -2.574 -1.275 14.720 1.00 0.55 N ATOM 0 H ARG B 90 -3.467 -6.992 10.003 1.00 0.29 H new ATOM 0 HA ARG B 90 -6.027 -5.701 10.573 1.00 0.28 H new ATOM 0 HB2 ARG B 90 -3.163 -5.038 9.807 1.00 0.30 H new ATOM 0 HB3 ARG B 90 -4.367 -3.780 9.617 1.00 0.30 H new ATOM 0 HG2 ARG B 90 -5.059 -4.079 12.013 1.00 0.32 H new ATOM 0 HG3 ARG B 90 -3.856 -5.339 12.203 1.00 0.32 H new ATOM 0 HD2 ARG B 90 -2.035 -3.813 12.062 1.00 0.33 H new ATOM 0 HD3 ARG B 90 -2.948 -2.645 11.126 1.00 0.33 H new ATOM 0 HE ARG B 90 -4.119 -3.170 13.825 1.00 0.37 H new ATOM 0 HH11 ARG B 90 -3.331 -0.752 11.671 1.00 0.39 H new ATOM 0 HH12 ARG B 90 -2.635 0.358 12.856 1.00 0.39 H new ATOM 0 HH21 ARG B 90 -2.590 -2.014 15.423 1.00 0.55 H new ATOM 0 HH22 ARG B 90 -2.219 -0.349 14.961 1.00 0.55 H new ATOM 2563 N MET B 91 -5.026 -5.955 7.448 1.00 0.26 N ATOM 2564 CA MET B 91 -5.526 -5.815 6.049 1.00 0.26 C ATOM 2565 C MET B 91 -6.825 -6.596 5.923 1.00 0.25 C ATOM 2566 O MET B 91 -7.762 -6.173 5.274 1.00 0.27 O ATOM 2567 CB MET B 91 -4.434 -6.412 5.155 1.00 0.28 C ATOM 2568 CG MET B 91 -4.219 -5.508 3.940 1.00 0.45 C ATOM 2569 SD MET B 91 -3.245 -6.391 2.696 1.00 0.51 S ATOM 2570 CE MET B 91 -1.664 -6.353 3.574 1.00 0.52 C ATOM 0 H MET B 91 -4.094 -6.361 7.535 1.00 0.26 H new ATOM 0 HA MET B 91 -5.727 -4.781 5.768 1.00 0.26 H new ATOM 0 HB2 MET B 91 -3.505 -6.513 5.716 1.00 0.28 H new ATOM 0 HB3 MET B 91 -4.721 -7.412 4.831 1.00 0.28 H new ATOM 0 HG2 MET B 91 -5.180 -5.210 3.521 1.00 0.45 H new ATOM 0 HG3 MET B 91 -3.705 -4.595 4.239 1.00 0.45 H new ATOM 0 HE1 MET B 91 -0.925 -5.826 2.970 1.00 0.52 H new ATOM 0 HE2 MET B 91 -1.789 -5.837 4.526 1.00 0.52 H new ATOM 0 HE3 MET B 91 -1.324 -7.373 3.755 1.00 0.52 H new ATOM 2580 N LEU B 92 -6.888 -7.723 6.578 1.00 0.27 N ATOM 2581 CA LEU B 92 -8.130 -8.537 6.546 1.00 0.28 C ATOM 2582 C LEU B 92 -9.240 -7.750 7.216 1.00 0.29 C ATOM 2583 O LEU B 92 -10.338 -7.657 6.701 1.00 0.33 O ATOM 2584 CB LEU B 92 -7.787 -9.802 7.310 1.00 0.32 C ATOM 2585 CG LEU B 92 -6.739 -10.548 6.499 1.00 0.34 C ATOM 2586 CD1 LEU B 92 -5.850 -11.379 7.431 1.00 0.40 C ATOM 2587 CD2 LEU B 92 -7.433 -11.468 5.489 1.00 0.38 C ATOM 0 H LEU B 92 -6.128 -8.114 7.135 1.00 0.27 H new ATOM 0 HA LEU B 92 -8.474 -8.779 5.540 1.00 0.28 H new ATOM 0 HB2 LEU B 92 -7.405 -9.561 8.302 1.00 0.32 H new ATOM 0 HB3 LEU B 92 -8.675 -10.419 7.451 1.00 0.32 H new ATOM 0 HG LEU B 92 -6.118 -9.828 5.966 1.00 0.34 H new ATOM 0 HD11 LEU B 92 -5.102 -11.910 6.842 1.00 0.40 H new ATOM 0 HD12 LEU B 92 -5.351 -10.720 8.142 1.00 0.40 H new ATOM 0 HD13 LEU B 92 -6.464 -12.099 7.973 1.00 0.40 H new ATOM 0 HD21 LEU B 92 -6.682 -12.003 4.908 1.00 0.38 H new ATOM 0 HD22 LEU B 92 -8.059 -12.185 6.020 1.00 0.38 H new ATOM 0 HD23 LEU B 92 -8.053 -10.872 4.820 1.00 0.38 H new ATOM 2599 N ASN B 93 -8.943 -7.136 8.338 1.00 0.29 N ATOM 2600 CA ASN B 93 -9.969 -6.297 9.019 1.00 0.33 C ATOM 2601 C ASN B 93 -10.504 -5.290 8.000 1.00 0.32 C ATOM 2602 O ASN B 93 -11.633 -4.844 8.079 1.00 0.38 O ATOM 2603 CB ASN B 93 -9.229 -5.584 10.155 1.00 0.37 C ATOM 2604 CG ASN B 93 -9.798 -6.036 11.501 1.00 0.42 C ATOM 2605 OD1 ASN B 93 -10.724 -5.439 12.013 1.00 0.60 O ATOM 2606 ND2 ASN B 93 -9.280 -7.073 12.101 1.00 0.68 N ATOM 0 H ASN B 93 -8.038 -7.182 8.806 1.00 0.29 H new ATOM 0 HA ASN B 93 -10.810 -6.871 9.409 1.00 0.33 H new ATOM 0 HB2 ASN B 93 -8.163 -5.808 10.105 1.00 0.37 H new ATOM 0 HB3 ASN B 93 -9.333 -4.504 10.049 1.00 0.37 H new ATOM 0 HD21 ASN B 93 -9.653 -7.382 12.999 1.00 0.68 H new ATOM 0 HD22 ASN B 93 -8.503 -7.575 11.672 1.00 0.68 H new ATOM 2613 N ILE B 94 -9.690 -4.957 7.022 1.00 0.29 N ATOM 2614 CA ILE B 94 -10.136 -4.005 5.964 1.00 0.30 C ATOM 2615 C ILE B 94 -10.921 -4.755 4.883 1.00 0.30 C ATOM 2616 O ILE B 94 -11.888 -4.239 4.356 1.00 0.39 O ATOM 2617 CB ILE B 94 -8.871 -3.388 5.344 1.00 0.29 C ATOM 2618 CG1 ILE B 94 -7.796 -3.173 6.419 1.00 0.30 C ATOM 2619 CG2 ILE B 94 -9.235 -2.044 4.703 1.00 0.33 C ATOM 2620 CD1 ILE B 94 -6.713 -2.218 5.905 1.00 0.42 C ATOM 0 H ILE B 94 -8.738 -5.306 6.916 1.00 0.29 H new ATOM 0 HA ILE B 94 -10.781 -3.235 6.387 1.00 0.30 H new ATOM 0 HB ILE B 94 -8.474 -4.067 4.589 1.00 0.29 H new ATOM 0 HG12 ILE B 94 -8.251 -2.765 7.322 1.00 0.30 H new ATOM 0 HG13 ILE B 94 -7.348 -4.129 6.691 1.00 0.30 H new ATOM 0 HG21 ILE B 94 -8.344 -1.599 4.261 1.00 0.33 H new ATOM 0 HG22 ILE B 94 -9.985 -2.202 3.928 1.00 0.33 H new ATOM 0 HG23 ILE B 94 -9.635 -1.374 5.464 1.00 0.33 H new ATOM 0 HD11 ILE B 94 -5.958 -2.075 6.678 1.00 0.42 H new ATOM 0 HD12 ILE B 94 -6.247 -2.642 5.016 1.00 0.42 H new ATOM 0 HD13 ILE B 94 -7.164 -1.257 5.656 1.00 0.42 H new ATOM 2632 N LEU B 95 -10.509 -5.959 4.521 1.00 0.26 N ATOM 2633 CA LEU B 95 -11.256 -6.686 3.443 1.00 0.28 C ATOM 2634 C LEU B 95 -12.258 -7.697 4.021 1.00 0.29 C ATOM 2635 O LEU B 95 -12.720 -8.581 3.323 1.00 0.42 O ATOM 2636 CB LEU B 95 -10.191 -7.388 2.595 1.00 0.31 C ATOM 2637 CG LEU B 95 -9.377 -8.346 3.459 1.00 0.31 C ATOM 2638 CD1 LEU B 95 -9.739 -9.788 3.107 1.00 0.45 C ATOM 2639 CD2 LEU B 95 -7.884 -8.120 3.201 1.00 0.33 C ATOM 0 H LEU B 95 -9.709 -6.453 4.917 1.00 0.26 H new ATOM 0 HA LEU B 95 -11.850 -5.992 2.848 1.00 0.28 H new ATOM 0 HB2 LEU B 95 -10.666 -7.935 1.781 1.00 0.31 H new ATOM 0 HB3 LEU B 95 -9.532 -6.648 2.140 1.00 0.31 H new ATOM 0 HG LEU B 95 -9.599 -8.163 4.510 1.00 0.31 H new ATOM 0 HD11 LEU B 95 -9.156 -10.471 3.725 1.00 0.45 H new ATOM 0 HD12 LEU B 95 -10.801 -9.951 3.288 1.00 0.45 H new ATOM 0 HD13 LEU B 95 -9.518 -9.972 2.056 1.00 0.45 H new ATOM 0 HD21 LEU B 95 -7.301 -8.804 3.818 1.00 0.33 H new ATOM 0 HD22 LEU B 95 -7.665 -8.303 2.149 1.00 0.33 H new ATOM 0 HD23 LEU B 95 -7.623 -7.092 3.452 1.00 0.33 H new ATOM 2651 N ASN B 96 -12.614 -7.563 5.276 1.00 0.28 N ATOM 2652 CA ASN B 96 -13.609 -8.506 5.883 1.00 0.30 C ATOM 2653 C ASN B 96 -14.904 -7.764 6.227 1.00 0.31 C ATOM 2654 O ASN B 96 -15.927 -8.370 6.485 1.00 0.37 O ATOM 2655 CB ASN B 96 -12.955 -9.029 7.159 1.00 0.35 C ATOM 2656 CG ASN B 96 -12.201 -10.321 6.848 1.00 0.38 C ATOM 2657 OD1 ASN B 96 -10.971 -10.455 7.253 1.00 0.60 O flip ATOM 2658 ND2 ASN B 96 -12.738 -11.218 6.229 1.00 0.44 N flip ATOM 0 H ASN B 96 -12.260 -6.843 5.906 1.00 0.28 H new ATOM 0 HA ASN B 96 -13.867 -9.313 5.197 1.00 0.30 H new ATOM 0 HB2 ASN B 96 -12.270 -8.283 7.562 1.00 0.35 H new ATOM 0 HB3 ASN B 96 -13.713 -9.211 7.921 1.00 0.35 H new ATOM 0 HD21 ASN B 96 -13.702 -11.113 5.912 1.00 0.44 H new ATOM 0 HD22 ASN B 96 -12.225 -12.076 6.027 1.00 0.44 H new