USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -1.68 K(o=-2.1,f=-5!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 151:sc= -0.692 USER MOD Single : A 47 THR OG1 : rot 46:sc= 0.442 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0.847 (180deg=0.845) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 57 CYS SG : rot 160:sc= -1.62 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.616 K(o=-0.62,f=-3.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 83:sc= 0.571 USER MOD Single : A 79 THR OG1 : rot -44:sc= 1.59 USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= -0.115 (180deg=-1.4) USER MOD Single : A 81 THR OG1 : rot -100:sc= -1.38 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 45.705 0.772 28.251 1.00 20.44 N ATOM 299 CA ALA A 25 45.192 2.003 27.665 1.00 14.53 C ATOM 300 C ALA A 25 43.669 2.051 27.733 1.00 71.52 C ATOM 301 O ALA A 25 43.012 1.020 27.883 1.00 73.41 O ATOM 302 CB ALA A 25 45.662 2.139 26.225 1.00 64.22 C ATOM 0 HA ALA A 25 45.582 2.841 28.243 1.00 14.53 H new ATOM 0 HB1 ALA A 25 45.271 3.064 25.800 1.00 64.22 H new ATOM 0 HB2 ALA A 25 46.751 2.160 26.198 1.00 64.22 H new ATOM 0 HB3 ALA A 25 45.301 1.291 25.643 1.00 64.22 H new ATOM 308 N LEU A 26 43.113 3.252 27.622 1.00 44.12 N ATOM 309 CA LEU A 26 41.667 3.434 27.671 1.00 73.41 C ATOM 310 C LEU A 26 41.197 4.370 26.562 1.00 64.43 C ATOM 311 O LEU A 26 41.627 5.520 26.483 1.00 44.53 O ATOM 312 CB LEU A 26 41.249 3.989 29.033 1.00 14.14 C ATOM 313 CG LEU A 26 41.503 3.079 30.236 1.00 55.22 C ATOM 314 CD1 LEU A 26 42.602 3.652 31.116 1.00 2.42 C ATOM 315 CD2 LEU A 26 40.223 2.884 31.036 1.00 23.24 C ATOM 0 H LEU A 26 43.642 4.115 27.497 1.00 44.12 H new ATOM 0 HA LEU A 26 41.199 2.461 27.522 1.00 73.41 H new ATOM 0 HB2 LEU A 26 41.775 4.929 29.197 1.00 14.14 H new ATOM 0 HB3 LEU A 26 40.185 4.221 28.997 1.00 14.14 H new ATOM 0 HG LEU A 26 41.830 2.106 29.869 1.00 55.22 H new ATOM 0 HD11 LEU A 26 42.769 2.991 31.967 1.00 2.42 H new ATOM 0 HD12 LEU A 26 43.522 3.739 30.538 1.00 2.42 H new ATOM 0 HD13 LEU A 26 42.304 4.637 31.475 1.00 2.42 H new ATOM 0 HD21 LEU A 26 40.422 2.234 31.888 1.00 23.24 H new ATOM 0 HD22 LEU A 26 39.866 3.850 31.392 1.00 23.24 H new ATOM 0 HD23 LEU A 26 39.463 2.428 30.401 1.00 23.24 H new ATOM 327 N VAL A 27 40.311 3.869 25.707 1.00 32.33 N ATOM 328 CA VAL A 27 39.780 4.661 24.604 1.00 20.23 C ATOM 329 C VAL A 27 38.271 4.483 24.476 1.00 24.20 C ATOM 330 O VAL A 27 37.763 3.363 24.516 1.00 73.12 O ATOM 331 CB VAL A 27 40.446 4.280 23.269 1.00 42.54 C ATOM 332 CG1 VAL A 27 39.457 4.417 22.121 1.00 65.32 C ATOM 333 CG2 VAL A 27 41.679 5.138 23.026 1.00 62.43 C ATOM 0 H VAL A 27 39.946 2.918 25.757 1.00 32.33 H new ATOM 0 HA VAL A 27 40.002 5.704 24.828 1.00 20.23 H new ATOM 0 HB VAL A 27 40.761 3.238 23.324 1.00 42.54 H new ATOM 0 HG11 VAL A 27 39.945 4.144 21.186 1.00 65.32 H new ATOM 0 HG12 VAL A 27 38.607 3.757 22.293 1.00 65.32 H new ATOM 0 HG13 VAL A 27 39.110 5.448 22.061 1.00 65.32 H new ATOM 0 HG21 VAL A 27 42.138 4.856 22.078 1.00 62.43 H new ATOM 0 HG22 VAL A 27 41.390 6.188 22.991 1.00 62.43 H new ATOM 0 HG23 VAL A 27 42.394 4.985 23.835 1.00 62.43 H new ATOM 343 N ALA A 28 37.561 5.595 24.321 1.00 12.24 N ATOM 344 CA ALA A 28 36.110 5.562 24.185 1.00 40.15 C ATOM 345 C ALA A 28 35.698 5.492 22.718 1.00 64.11 C ATOM 346 O ALA A 28 36.257 6.190 21.872 1.00 65.34 O ATOM 347 CB ALA A 28 35.489 6.781 24.851 1.00 21.32 C ATOM 0 H ALA A 28 37.967 6.530 24.286 1.00 12.24 H new ATOM 0 HA ALA A 28 35.744 4.664 24.682 1.00 40.15 H new ATOM 0 HB1 ALA A 28 34.405 6.743 24.741 1.00 21.32 H new ATOM 0 HB2 ALA A 28 35.747 6.788 25.910 1.00 21.32 H new ATOM 0 HB3 ALA A 28 35.870 7.687 24.379 1.00 21.32 H new ATOM 353 N VAL A 29 34.718 4.644 22.423 1.00 13.32 N ATOM 354 CA VAL A 29 34.231 4.483 21.058 1.00 11.23 C ATOM 355 C VAL A 29 32.735 4.764 20.972 1.00 71.43 C ATOM 356 O VAL A 29 31.973 4.415 21.874 1.00 41.11 O ATOM 357 CB VAL A 29 34.508 3.064 20.528 1.00 74.04 C ATOM 358 CG1 VAL A 29 34.025 2.927 19.092 1.00 55.02 C ATOM 359 CG2 VAL A 29 35.989 2.735 20.634 1.00 41.30 C ATOM 0 H VAL A 29 34.246 4.058 23.111 1.00 13.32 H new ATOM 0 HA VAL A 29 34.769 5.204 20.442 1.00 11.23 H new ATOM 0 HB VAL A 29 33.956 2.352 21.142 1.00 74.04 H new ATOM 0 HG11 VAL A 29 34.229 1.918 18.734 1.00 55.02 H new ATOM 0 HG12 VAL A 29 32.953 3.117 19.049 1.00 55.02 H new ATOM 0 HG13 VAL A 29 34.547 3.648 18.462 1.00 55.02 H new ATOM 0 HG21 VAL A 29 36.166 1.728 20.255 1.00 41.30 H new ATOM 0 HG22 VAL A 29 36.564 3.451 20.046 1.00 41.30 H new ATOM 0 HG23 VAL A 29 36.300 2.790 21.677 1.00 41.30 H new ATOM 369 N LYS A 30 32.319 5.396 19.879 1.00 24.43 N ATOM 370 CA LYS A 30 30.914 5.722 19.672 1.00 54.41 C ATOM 371 C LYS A 30 30.452 5.285 18.285 1.00 2.23 C ATOM 372 O LYS A 30 30.889 5.833 17.273 1.00 2.32 O ATOM 373 CB LYS A 30 30.687 7.226 19.846 1.00 61.11 C ATOM 374 CG LYS A 30 29.265 7.666 19.544 1.00 61.24 C ATOM 375 CD LYS A 30 28.938 8.991 20.211 1.00 53.11 C ATOM 376 CE LYS A 30 28.496 10.033 19.194 1.00 31.34 C ATOM 377 NZ LYS A 30 27.742 11.147 19.834 1.00 63.24 N ATOM 0 H LYS A 30 32.936 5.692 19.123 1.00 24.43 H new ATOM 0 HA LYS A 30 30.329 5.183 20.417 1.00 54.41 H new ATOM 0 HB2 LYS A 30 30.935 7.506 20.870 1.00 61.11 H new ATOM 0 HB3 LYS A 30 31.372 7.766 19.193 1.00 61.11 H new ATOM 0 HG2 LYS A 30 29.133 7.758 18.466 1.00 61.24 H new ATOM 0 HG3 LYS A 30 28.566 6.903 19.887 1.00 61.24 H new ATOM 0 HD2 LYS A 30 28.149 8.843 20.949 1.00 53.11 H new ATOM 0 HD3 LYS A 30 29.813 9.355 20.749 1.00 53.11 H new ATOM 0 HE2 LYS A 30 29.370 10.434 18.681 1.00 31.34 H new ATOM 0 HE3 LYS A 30 27.871 9.559 18.437 1.00 31.34 H new ATOM 0 HZ1 LYS A 30 27.458 11.836 19.108 1.00 63.24 H new ATOM 0 HZ2 LYS A 30 26.894 10.768 20.302 1.00 63.24 H new ATOM 0 HZ3 LYS A 30 28.346 11.615 20.539 1.00 63.24 H new ATOM 391 N VAL A 31 29.565 4.296 18.246 1.00 25.32 N ATOM 392 CA VAL A 31 29.043 3.787 16.984 1.00 72.13 C ATOM 393 C VAL A 31 27.697 4.421 16.651 1.00 42.35 C ATOM 394 O VAL A 31 26.739 4.309 17.415 1.00 21.24 O ATOM 395 CB VAL A 31 28.881 2.256 17.020 1.00 63.45 C ATOM 396 CG1 VAL A 31 28.021 1.837 18.202 1.00 23.32 C ATOM 397 CG2 VAL A 31 28.287 1.752 15.713 1.00 51.32 C ATOM 0 H VAL A 31 29.193 3.831 19.074 1.00 25.32 H new ATOM 0 HA VAL A 31 29.767 4.050 16.213 1.00 72.13 H new ATOM 0 HB VAL A 31 29.867 1.807 17.142 1.00 63.45 H new ATOM 0 HG11 VAL A 31 27.918 0.752 18.210 1.00 23.32 H new ATOM 0 HG12 VAL A 31 28.492 2.164 19.129 1.00 23.32 H new ATOM 0 HG13 VAL A 31 27.035 2.294 18.115 1.00 23.32 H new ATOM 0 HG21 VAL A 31 28.180 0.668 15.756 1.00 51.32 H new ATOM 0 HG22 VAL A 31 27.309 2.208 15.558 1.00 51.32 H new ATOM 0 HG23 VAL A 31 28.946 2.019 14.887 1.00 51.32 H new ATOM 407 N VAL A 32 27.632 5.089 15.503 1.00 73.33 N ATOM 408 CA VAL A 32 26.403 5.740 15.066 1.00 14.33 C ATOM 409 C VAL A 32 25.833 5.064 13.824 1.00 2.22 C ATOM 410 O VAL A 32 26.536 4.338 13.123 1.00 4.01 O ATOM 411 CB VAL A 32 26.635 7.233 14.764 1.00 23.41 C ATOM 412 CG1 VAL A 32 27.053 7.974 16.025 1.00 42.13 C ATOM 413 CG2 VAL A 32 27.678 7.398 13.668 1.00 35.53 C ATOM 0 H VAL A 32 28.416 5.193 14.859 1.00 73.33 H new ATOM 0 HA VAL A 32 25.689 5.649 15.885 1.00 14.33 H new ATOM 0 HB VAL A 32 25.698 7.665 14.411 1.00 23.41 H new ATOM 0 HG11 VAL A 32 27.212 9.027 15.792 1.00 42.13 H new ATOM 0 HG12 VAL A 32 26.269 7.883 16.777 1.00 42.13 H new ATOM 0 HG13 VAL A 32 27.977 7.544 16.410 1.00 42.13 H new ATOM 0 HG21 VAL A 32 27.830 8.458 13.467 1.00 35.53 H new ATOM 0 HG22 VAL A 32 28.619 6.951 13.991 1.00 35.53 H new ATOM 0 HG23 VAL A 32 27.334 6.902 12.760 1.00 35.53 H new ATOM 423 N ASN A 33 24.554 5.309 13.558 1.00 63.23 N ATOM 424 CA ASN A 33 23.889 4.723 12.399 1.00 4.33 C ATOM 425 C ASN A 33 23.078 5.775 11.649 1.00 60.14 C ATOM 426 O ASN A 33 22.628 6.760 12.233 1.00 44.21 O ATOM 427 CB ASN A 33 22.977 3.575 12.835 1.00 24.31 C ATOM 428 CG ASN A 33 23.758 2.339 13.240 1.00 75.22 C ATOM 429 OD1 ASN A 33 24.868 2.436 13.762 1.00 63.42 O ATOM 430 ND2 ASN A 33 23.178 1.168 13.000 1.00 53.52 N ATOM 0 H ASN A 33 23.958 5.909 14.128 1.00 63.23 H new ATOM 0 HA ASN A 33 24.656 4.334 11.729 1.00 4.33 H new ATOM 0 HB2 ASN A 33 22.360 3.902 13.672 1.00 24.31 H new ATOM 0 HB3 ASN A 33 22.300 3.323 12.019 1.00 24.31 H new ATOM 0 HD21 ASN A 33 23.655 0.302 13.251 1.00 53.52 H new ATOM 0 HD22 ASN A 33 22.256 1.135 12.565 1.00 53.52 H new ATOM 437 N ALA A 34 22.895 5.557 10.350 1.00 14.35 N ATOM 438 CA ALA A 34 22.135 6.484 9.520 1.00 4.23 C ATOM 439 C ALA A 34 20.692 6.594 10.000 1.00 50.54 C ATOM 440 O ALA A 34 20.017 7.591 9.742 1.00 52.21 O ATOM 441 CB ALA A 34 22.178 6.045 8.064 1.00 30.12 C ATOM 0 H ALA A 34 23.262 4.747 9.850 1.00 14.35 H new ATOM 0 HA ALA A 34 22.594 7.469 9.604 1.00 4.23 H new ATOM 0 HB1 ALA A 34 21.607 6.746 7.456 1.00 30.12 H new ATOM 0 HB2 ALA A 34 23.212 6.025 7.720 1.00 30.12 H new ATOM 0 HB3 ALA A 34 21.746 5.049 7.972 1.00 30.12 H new ATOM 447 N ASP A 35 20.225 5.565 10.697 1.00 72.21 N ATOM 448 CA ASP A 35 18.861 5.546 11.213 1.00 51.44 C ATOM 449 C ASP A 35 18.759 6.346 12.508 1.00 52.03 C ATOM 450 O ASP A 35 17.689 6.841 12.861 1.00 45.43 O ATOM 451 CB ASP A 35 18.402 4.107 11.450 1.00 70.12 C ATOM 452 CG ASP A 35 17.135 3.770 10.689 1.00 52.32 C ATOM 453 OD1 ASP A 35 17.105 3.991 9.460 1.00 14.33 O ATOM 454 OD2 ASP A 35 16.173 3.287 11.322 1.00 72.42 O ATOM 0 H ASP A 35 20.771 4.732 10.918 1.00 72.21 H new ATOM 0 HA ASP A 35 18.211 6.008 10.470 1.00 51.44 H new ATOM 0 HB2 ASP A 35 19.195 3.422 11.151 1.00 70.12 H new ATOM 0 HB3 ASP A 35 18.234 3.953 12.516 1.00 70.12 H new ATOM 459 N GLY A 36 19.880 6.467 13.213 1.00 74.40 N ATOM 460 CA GLY A 36 19.894 7.206 14.462 1.00 63.32 C ATOM 461 C GLY A 36 20.442 6.387 15.614 1.00 64.13 C ATOM 462 O GLY A 36 21.148 6.910 16.475 1.00 2.13 O ATOM 0 H GLY A 36 20.778 6.067 12.942 1.00 74.40 H new ATOM 0 HA2 GLY A 36 20.497 8.106 14.341 1.00 63.32 H new ATOM 0 HA3 GLY A 36 18.881 7.530 14.700 1.00 63.32 H new ATOM 466 N ALA A 37 20.116 5.099 15.630 1.00 35.22 N ATOM 467 CA ALA A 37 20.580 4.206 16.685 1.00 42.23 C ATOM 468 C ALA A 37 22.092 4.305 16.861 1.00 14.13 C ATOM 469 O ALA A 37 22.852 4.060 15.925 1.00 12.22 O ATOM 470 CB ALA A 37 20.175 2.772 16.378 1.00 23.15 C ATOM 0 H ALA A 37 19.532 4.650 14.924 1.00 35.22 H new ATOM 0 HA ALA A 37 20.111 4.512 17.620 1.00 42.23 H new ATOM 0 HB1 ALA A 37 20.528 2.116 17.174 1.00 23.15 H new ATOM 0 HB2 ALA A 37 19.089 2.707 16.309 1.00 23.15 H new ATOM 0 HB3 ALA A 37 20.618 2.464 15.431 1.00 23.15 H new ATOM 476 N GLU A 38 22.520 4.666 18.067 1.00 54.20 N ATOM 477 CA GLU A 38 23.941 4.799 18.364 1.00 20.42 C ATOM 478 C GLU A 38 24.227 4.446 19.821 1.00 4.11 C ATOM 479 O GLU A 38 23.331 4.468 20.664 1.00 53.24 O ATOM 480 CB GLU A 38 24.416 6.223 18.070 1.00 53.20 C ATOM 481 CG GLU A 38 23.798 7.271 18.980 1.00 33.15 C ATOM 482 CD GLU A 38 24.036 8.685 18.488 1.00 1.33 C ATOM 483 OE1 GLU A 38 25.062 9.283 18.877 1.00 35.00 O ATOM 484 OE2 GLU A 38 23.198 9.194 17.715 1.00 10.34 O ATOM 0 H GLU A 38 21.903 4.871 18.853 1.00 54.20 H new ATOM 0 HA GLU A 38 24.486 4.104 17.725 1.00 20.42 H new ATOM 0 HB2 GLU A 38 25.501 6.263 18.169 1.00 53.20 H new ATOM 0 HB3 GLU A 38 24.181 6.469 17.034 1.00 53.20 H new ATOM 0 HG2 GLU A 38 22.725 7.093 19.057 1.00 33.15 H new ATOM 0 HG3 GLU A 38 24.211 7.165 19.983 1.00 33.15 H new ATOM 491 N MET A 39 25.483 4.121 20.109 1.00 23.30 N ATOM 492 CA MET A 39 25.888 3.764 21.464 1.00 65.12 C ATOM 493 C MET A 39 27.385 3.986 21.660 1.00 13.31 C ATOM 494 O MET A 39 28.190 3.662 20.787 1.00 3.14 O ATOM 495 CB MET A 39 25.535 2.305 21.757 1.00 22.50 C ATOM 496 CG MET A 39 26.281 1.311 20.881 1.00 22.14 C ATOM 497 SD MET A 39 25.866 -0.401 21.265 1.00 72.33 S ATOM 498 CE MET A 39 27.337 -0.918 22.146 1.00 44.35 C ATOM 0 H MET A 39 26.237 4.097 19.423 1.00 23.30 H new ATOM 0 HA MET A 39 25.349 4.407 22.159 1.00 65.12 H new ATOM 0 HB2 MET A 39 25.753 2.090 22.803 1.00 22.50 H new ATOM 0 HB3 MET A 39 24.463 2.165 21.620 1.00 22.50 H new ATOM 0 HG2 MET A 39 26.051 1.511 19.834 1.00 22.14 H new ATOM 0 HG3 MET A 39 27.354 1.457 21.005 1.00 22.14 H new ATOM 0 HE1 MET A 39 27.232 -1.959 22.450 1.00 44.35 H new ATOM 0 HE2 MET A 39 28.206 -0.816 21.495 1.00 44.35 H new ATOM 0 HE3 MET A 39 27.470 -0.294 23.030 1.00 44.35 H new ATOM 508 N PHE A 40 27.750 4.542 22.811 1.00 71.51 N ATOM 509 CA PHE A 40 29.150 4.808 23.121 1.00 54.42 C ATOM 510 C PHE A 40 29.549 4.154 24.440 1.00 61.51 C ATOM 511 O PHE A 40 28.738 4.036 25.358 1.00 13.04 O ATOM 512 CB PHE A 40 29.400 6.316 23.191 1.00 50.33 C ATOM 513 CG PHE A 40 28.819 6.964 24.415 1.00 4.20 C ATOM 514 CD1 PHE A 40 27.453 7.168 24.526 1.00 44.05 C ATOM 515 CD2 PHE A 40 29.640 7.370 25.455 1.00 11.13 C ATOM 516 CE1 PHE A 40 26.916 7.764 25.651 1.00 31.31 C ATOM 517 CE2 PHE A 40 29.108 7.966 26.583 1.00 20.22 C ATOM 518 CZ PHE A 40 27.745 8.164 26.681 1.00 54.02 C ATOM 0 H PHE A 40 27.096 4.817 23.544 1.00 71.51 H new ATOM 0 HA PHE A 40 29.760 4.381 22.325 1.00 54.42 H new ATOM 0 HB2 PHE A 40 30.474 6.500 23.168 1.00 50.33 H new ATOM 0 HB3 PHE A 40 28.977 6.788 22.304 1.00 50.33 H new ATOM 0 HD1 PHE A 40 26.800 6.857 23.724 1.00 44.05 H new ATOM 0 HD2 PHE A 40 30.707 7.219 25.383 1.00 11.13 H new ATOM 0 HE1 PHE A 40 25.849 7.917 25.725 1.00 31.31 H new ATOM 0 HE2 PHE A 40 29.758 8.277 27.387 1.00 20.22 H new ATOM 0 HZ PHE A 40 27.328 8.631 27.561 1.00 54.02 H new ATOM 528 N PHE A 41 30.805 3.728 24.526 1.00 41.02 N ATOM 529 CA PHE A 41 31.313 3.083 25.731 1.00 1.31 C ATOM 530 C PHE A 41 32.836 3.154 25.785 1.00 64.44 C ATOM 531 O PHE A 41 33.501 3.239 24.752 1.00 62.30 O ATOM 532 CB PHE A 41 30.856 1.624 25.785 1.00 25.15 C ATOM 533 CG PHE A 41 29.506 1.441 26.417 1.00 0.52 C ATOM 534 CD1 PHE A 41 29.307 1.739 27.756 1.00 72.43 C ATOM 535 CD2 PHE A 41 28.436 0.972 25.672 1.00 11.34 C ATOM 536 CE1 PHE A 41 28.065 1.572 28.340 1.00 3.21 C ATOM 537 CE2 PHE A 41 27.192 0.804 26.251 1.00 2.42 C ATOM 538 CZ PHE A 41 27.007 1.103 27.587 1.00 51.51 C ATOM 0 H PHE A 41 31.490 3.818 23.775 1.00 41.02 H new ATOM 0 HA PHE A 41 30.912 3.614 26.594 1.00 1.31 H new ATOM 0 HB2 PHE A 41 30.832 1.222 24.772 1.00 25.15 H new ATOM 0 HB3 PHE A 41 31.591 1.042 26.342 1.00 25.15 H new ATOM 0 HD1 PHE A 41 30.131 2.106 28.350 1.00 72.43 H new ATOM 0 HD2 PHE A 41 28.575 0.735 24.628 1.00 11.34 H new ATOM 0 HE1 PHE A 41 27.923 1.808 29.384 1.00 3.21 H new ATOM 0 HE2 PHE A 41 26.365 0.439 25.659 1.00 2.42 H new ATOM 0 HZ PHE A 41 26.036 0.970 28.042 1.00 51.51 H new ATOM 548 N ARG A 42 33.382 3.118 26.996 1.00 41.11 N ATOM 549 CA ARG A 42 34.826 3.180 27.185 1.00 24.43 C ATOM 550 C ARG A 42 35.423 1.778 27.274 1.00 2.15 C ATOM 551 O ARG A 42 35.037 0.982 28.130 1.00 34.43 O ATOM 552 CB ARG A 42 35.163 3.970 28.451 1.00 40.31 C ATOM 553 CG ARG A 42 34.521 3.408 29.709 1.00 45.21 C ATOM 554 CD ARG A 42 33.826 4.495 30.513 1.00 53.41 C ATOM 555 NE ARG A 42 34.698 5.061 31.539 1.00 60.33 N ATOM 556 CZ ARG A 42 34.286 5.927 32.458 1.00 63.31 C ATOM 557 NH1 ARG A 42 33.022 6.324 32.479 1.00 13.54 N ATOM 558 NH2 ARG A 42 35.140 6.396 33.358 1.00 1.44 N ATOM 0 H ARG A 42 32.846 3.046 27.861 1.00 41.11 H new ATOM 0 HA ARG A 42 35.259 3.687 26.323 1.00 24.43 H new ATOM 0 HB2 ARG A 42 36.245 3.986 28.582 1.00 40.31 H new ATOM 0 HB3 ARG A 42 34.842 5.004 28.320 1.00 40.31 H new ATOM 0 HG2 ARG A 42 33.800 2.637 29.437 1.00 45.21 H new ATOM 0 HG3 ARG A 42 35.282 2.929 30.325 1.00 45.21 H new ATOM 0 HD2 ARG A 42 33.496 5.287 29.841 1.00 53.41 H new ATOM 0 HD3 ARG A 42 32.933 4.083 30.983 1.00 53.41 H new ATOM 0 HE ARG A 42 35.677 4.776 31.550 1.00 60.33 H new ATOM 0 HH11 ARG A 42 32.363 5.964 31.788 1.00 13.54 H new ATOM 0 HH12 ARG A 42 32.708 6.989 33.186 1.00 13.54 H new ATOM 0 HH21 ARG A 42 36.113 6.092 33.345 1.00 1.44 H new ATOM 0 HH22 ARG A 42 34.823 7.061 34.064 1.00 1.44 H new ATOM 572 N ILE A 43 36.366 1.484 26.385 1.00 12.43 N ATOM 573 CA ILE A 43 37.016 0.180 26.364 1.00 32.14 C ATOM 574 C ILE A 43 38.502 0.311 26.052 1.00 45.43 C ATOM 575 O ILE A 43 38.927 1.256 25.386 1.00 4.01 O ATOM 576 CB ILE A 43 36.366 -0.756 25.329 1.00 73.43 C ATOM 577 CG1 ILE A 43 34.844 -0.757 25.493 1.00 5.22 C ATOM 578 CG2 ILE A 43 36.919 -2.167 25.468 1.00 4.44 C ATOM 579 CD1 ILE A 43 34.148 0.307 24.673 1.00 32.54 C ATOM 0 H ILE A 43 36.697 2.132 25.670 1.00 12.43 H new ATOM 0 HA ILE A 43 36.893 -0.250 27.358 1.00 32.14 H new ATOM 0 HB ILE A 43 36.605 -0.389 24.331 1.00 73.43 H new ATOM 0 HG12 ILE A 43 34.456 -1.735 25.208 1.00 5.22 H new ATOM 0 HG13 ILE A 43 34.600 -0.611 26.545 1.00 5.22 H new ATOM 0 HG21 ILE A 43 36.449 -2.816 24.729 1.00 4.44 H new ATOM 0 HG22 ILE A 43 37.997 -2.153 25.306 1.00 4.44 H new ATOM 0 HG23 ILE A 43 36.708 -2.544 26.469 1.00 4.44 H new ATOM 0 HD11 ILE A 43 33.072 0.248 24.838 1.00 32.54 H new ATOM 0 HD12 ILE A 43 34.508 1.291 24.973 1.00 32.54 H new ATOM 0 HD13 ILE A 43 34.362 0.150 23.616 1.00 32.54 H new ATOM 591 N LYS A 44 39.290 -0.644 26.535 1.00 53.32 N ATOM 592 CA LYS A 44 40.730 -0.638 26.305 1.00 34.12 C ATOM 593 C LYS A 44 41.043 -0.560 24.814 1.00 15.54 C ATOM 594 O LYS A 44 40.461 -1.286 24.009 1.00 33.42 O ATOM 595 CB LYS A 44 41.367 -1.893 26.906 1.00 64.05 C ATOM 596 CG LYS A 44 41.208 -1.995 28.413 1.00 41.24 C ATOM 597 CD LYS A 44 42.462 -1.536 29.138 1.00 31.42 C ATOM 598 CE LYS A 44 42.808 -2.464 30.293 1.00 44.13 C ATOM 599 NZ LYS A 44 44.139 -2.145 30.880 1.00 0.14 N ATOM 0 H LYS A 44 38.955 -1.433 27.089 1.00 53.32 H new ATOM 0 HA LYS A 44 41.147 0.243 26.792 1.00 34.12 H new ATOM 0 HB2 LYS A 44 40.922 -2.773 26.442 1.00 64.05 H new ATOM 0 HB3 LYS A 44 42.429 -1.905 26.660 1.00 64.05 H new ATOM 0 HG2 LYS A 44 40.360 -1.389 28.732 1.00 41.24 H new ATOM 0 HG3 LYS A 44 40.985 -3.026 28.687 1.00 41.24 H new ATOM 0 HD2 LYS A 44 43.296 -1.499 28.437 1.00 31.42 H new ATOM 0 HD3 LYS A 44 42.316 -0.523 29.514 1.00 31.42 H new ATOM 0 HE2 LYS A 44 42.042 -2.385 31.065 1.00 44.13 H new ATOM 0 HE3 LYS A 44 42.803 -3.496 29.944 1.00 44.13 H new ATOM 0 HZ1 LYS A 44 44.338 -2.799 31.664 1.00 0.14 H new ATOM 0 HZ2 LYS A 44 44.873 -2.245 30.150 1.00 0.14 H new ATOM 0 HZ3 LYS A 44 44.136 -1.168 31.237 1.00 0.14 H new ATOM 613 N SER A 45 41.966 0.326 24.454 1.00 52.10 N ATOM 614 CA SER A 45 42.354 0.501 23.059 1.00 23.24 C ATOM 615 C SER A 45 42.714 -0.839 22.424 1.00 52.33 C ATOM 616 O SER A 45 42.495 -1.051 21.231 1.00 44.42 O ATOM 617 CB SER A 45 43.540 1.462 22.955 1.00 54.43 C ATOM 618 OG SER A 45 43.135 2.715 22.430 1.00 43.10 O ATOM 0 H SER A 45 42.459 0.934 25.108 1.00 52.10 H new ATOM 0 HA SER A 45 41.505 0.923 22.521 1.00 23.24 H new ATOM 0 HB2 SER A 45 43.985 1.603 23.940 1.00 54.43 H new ATOM 0 HB3 SER A 45 44.309 1.028 22.316 1.00 54.43 H new ATOM 0 HG SER A 45 43.717 3.421 22.781 1.00 43.10 H new ATOM 624 N ARG A 46 43.267 -1.739 23.229 1.00 35.54 N ATOM 625 CA ARG A 46 43.658 -3.058 22.747 1.00 60.33 C ATOM 626 C ARG A 46 42.506 -3.730 22.005 1.00 12.13 C ATOM 627 O ARG A 46 42.686 -4.271 20.914 1.00 43.02 O ATOM 628 CB ARG A 46 44.110 -3.938 23.913 1.00 31.54 C ATOM 629 CG ARG A 46 45.520 -4.484 23.755 1.00 52.43 C ATOM 630 CD ARG A 46 45.681 -5.238 22.444 1.00 30.44 C ATOM 631 NE ARG A 46 46.945 -5.968 22.385 1.00 34.20 N ATOM 632 CZ ARG A 46 47.165 -6.990 21.566 1.00 61.42 C ATOM 633 NH1 ARG A 46 46.212 -7.401 20.741 1.00 14.11 N ATOM 634 NH2 ARG A 46 48.342 -7.604 21.570 1.00 13.22 N ATOM 0 H ARG A 46 43.455 -1.579 24.219 1.00 35.54 H new ATOM 0 HA ARG A 46 44.489 -2.931 22.053 1.00 60.33 H new ATOM 0 HB2 ARG A 46 44.055 -3.360 24.836 1.00 31.54 H new ATOM 0 HB3 ARG A 46 43.416 -4.772 24.017 1.00 31.54 H new ATOM 0 HG2 ARG A 46 46.236 -3.663 23.794 1.00 52.43 H new ATOM 0 HG3 ARG A 46 45.750 -5.148 24.588 1.00 52.43 H new ATOM 0 HD2 ARG A 46 44.853 -5.936 22.323 1.00 30.44 H new ATOM 0 HD3 ARG A 46 45.629 -4.535 21.613 1.00 30.44 H new ATOM 0 HE ARG A 46 47.700 -5.677 23.007 1.00 34.20 H new ATOM 0 HH11 ARG A 46 45.306 -6.932 20.734 1.00 14.11 H new ATOM 0 HH12 ARG A 46 46.385 -8.186 20.113 1.00 14.11 H new ATOM 0 HH21 ARG A 46 49.078 -7.291 22.203 1.00 13.22 H new ATOM 0 HH22 ARG A 46 48.510 -8.389 20.941 1.00 13.22 H new ATOM 648 N THR A 47 41.320 -3.692 22.606 1.00 63.12 N ATOM 649 CA THR A 47 40.139 -4.298 22.004 1.00 2.02 C ATOM 650 C THR A 47 38.901 -3.440 22.239 1.00 42.14 C ATOM 651 O THR A 47 38.288 -3.496 23.304 1.00 3.12 O ATOM 652 CB THR A 47 39.885 -5.710 22.565 1.00 52.02 C ATOM 653 OG1 THR A 47 39.882 -5.676 23.996 1.00 14.43 O ATOM 654 CG2 THR A 47 40.946 -6.685 22.078 1.00 5.22 C ATOM 0 H THR A 47 41.153 -3.248 23.509 1.00 63.12 H new ATOM 0 HA THR A 47 40.331 -4.369 20.933 1.00 2.02 H new ATOM 0 HB THR A 47 38.912 -6.048 22.208 1.00 52.02 H new ATOM 0 HG1 THR A 47 39.340 -4.920 24.304 1.00 14.43 H new ATOM 0 HG21 THR A 47 40.746 -7.675 22.487 1.00 5.22 H new ATOM 0 HG22 THR A 47 40.925 -6.731 20.989 1.00 5.22 H new ATOM 0 HG23 THR A 47 41.929 -6.348 22.408 1.00 5.22 H new ATOM 662 N ALA A 48 38.538 -2.647 21.236 1.00 42.31 N ATOM 663 CA ALA A 48 37.371 -1.779 21.333 1.00 42.25 C ATOM 664 C ALA A 48 36.430 -1.991 20.152 1.00 40.04 C ATOM 665 O ALA A 48 35.239 -2.247 20.332 1.00 32.11 O ATOM 666 CB ALA A 48 37.802 -0.322 21.411 1.00 2.32 C ATOM 0 H ALA A 48 39.035 -2.588 20.347 1.00 42.31 H new ATOM 0 HA ALA A 48 36.832 -2.037 22.245 1.00 42.25 H new ATOM 0 HB1 ALA A 48 36.920 0.315 21.483 1.00 2.32 H new ATOM 0 HB2 ALA A 48 38.429 -0.175 22.290 1.00 2.32 H new ATOM 0 HB3 ALA A 48 38.366 -0.061 20.515 1.00 2.32 H new ATOM 672 N LEU A 49 36.971 -1.882 18.943 1.00 31.32 N ATOM 673 CA LEU A 49 36.179 -2.062 17.731 1.00 13.24 C ATOM 674 C LEU A 49 35.693 -3.502 17.607 1.00 74.20 C ATOM 675 O LEU A 49 34.628 -3.764 17.047 1.00 13.42 O ATOM 676 CB LEU A 49 37.002 -1.681 16.499 1.00 14.15 C ATOM 677 CG LEU A 49 36.378 -0.637 15.573 1.00 44.44 C ATOM 678 CD1 LEU A 49 34.930 -0.989 15.269 1.00 44.21 C ATOM 679 CD2 LEU A 49 36.473 0.750 16.191 1.00 4.35 C ATOM 0 H LEU A 49 37.955 -1.670 18.776 1.00 31.32 H new ATOM 0 HA LEU A 49 35.309 -1.409 17.795 1.00 13.24 H new ATOM 0 HB2 LEU A 49 37.970 -1.308 16.834 1.00 14.15 H new ATOM 0 HB3 LEU A 49 37.192 -2.585 15.920 1.00 14.15 H new ATOM 0 HG LEU A 49 36.934 -0.634 14.635 1.00 44.44 H new ATOM 0 HD11 LEU A 49 34.503 -0.234 14.609 1.00 44.21 H new ATOM 0 HD12 LEU A 49 34.887 -1.963 14.782 1.00 44.21 H new ATOM 0 HD13 LEU A 49 34.361 -1.022 16.198 1.00 44.21 H new ATOM 0 HD21 LEU A 49 36.024 1.480 15.518 1.00 4.35 H new ATOM 0 HD22 LEU A 49 35.943 0.761 17.144 1.00 4.35 H new ATOM 0 HD23 LEU A 49 37.520 1.004 16.355 1.00 4.35 H new ATOM 691 N LYS A 50 36.479 -4.434 18.134 1.00 22.24 N ATOM 692 CA LYS A 50 36.129 -5.849 18.086 1.00 13.34 C ATOM 693 C LYS A 50 34.859 -6.122 18.887 1.00 64.22 C ATOM 694 O LYS A 50 33.918 -6.738 18.386 1.00 13.54 O ATOM 695 CB LYS A 50 37.280 -6.699 18.629 1.00 74.12 C ATOM 696 CG LYS A 50 38.528 -6.655 17.765 1.00 41.01 C ATOM 697 CD LYS A 50 38.331 -7.410 16.461 1.00 51.41 C ATOM 698 CE LYS A 50 38.736 -8.870 16.595 1.00 13.41 C ATOM 699 NZ LYS A 50 39.104 -9.466 15.281 1.00 32.12 N ATOM 0 H LYS A 50 37.364 -4.235 18.600 1.00 22.24 H new ATOM 0 HA LYS A 50 35.947 -6.118 17.046 1.00 13.34 H new ATOM 0 HB2 LYS A 50 37.531 -6.357 19.633 1.00 74.12 H new ATOM 0 HB3 LYS A 50 36.946 -7.733 18.719 1.00 74.12 H new ATOM 0 HG2 LYS A 50 38.787 -5.618 17.550 1.00 41.01 H new ATOM 0 HG3 LYS A 50 39.366 -7.086 18.313 1.00 41.01 H new ATOM 0 HD2 LYS A 50 37.286 -7.348 16.158 1.00 51.41 H new ATOM 0 HD3 LYS A 50 38.920 -6.939 15.674 1.00 51.41 H new ATOM 0 HE2 LYS A 50 39.580 -8.951 17.280 1.00 13.41 H new ATOM 0 HE3 LYS A 50 37.914 -9.436 17.033 1.00 13.41 H new ATOM 0 HZ1 LYS A 50 39.406 -10.451 15.419 1.00 32.12 H new ATOM 0 HZ2 LYS A 50 38.281 -9.442 14.646 1.00 32.12 H new ATOM 0 HZ3 LYS A 50 39.883 -8.921 14.859 1.00 32.12 H new ATOM 713 N LYS A 51 34.840 -5.660 20.132 1.00 32.04 N ATOM 714 CA LYS A 51 33.685 -5.852 21.002 1.00 3.11 C ATOM 715 C LYS A 51 32.522 -4.968 20.565 1.00 52.22 C ATOM 716 O LYS A 51 31.357 -5.310 20.772 1.00 13.21 O ATOM 717 CB LYS A 51 34.057 -5.542 22.454 1.00 65.21 C ATOM 718 CG LYS A 51 33.735 -6.670 23.418 1.00 33.24 C ATOM 719 CD LYS A 51 34.900 -7.636 23.557 1.00 74.13 C ATOM 720 CE LYS A 51 34.780 -8.476 24.819 1.00 70.41 C ATOM 721 NZ LYS A 51 35.118 -9.905 24.568 1.00 3.23 N ATOM 0 H LYS A 51 35.611 -5.150 20.562 1.00 32.04 H new ATOM 0 HA LYS A 51 33.375 -6.894 20.927 1.00 3.11 H new ATOM 0 HB2 LYS A 51 35.123 -5.322 22.508 1.00 65.21 H new ATOM 0 HB3 LYS A 51 33.530 -4.642 22.771 1.00 65.21 H new ATOM 0 HG2 LYS A 51 33.487 -6.255 24.395 1.00 33.24 H new ATOM 0 HG3 LYS A 51 32.855 -7.209 23.068 1.00 33.24 H new ATOM 0 HD2 LYS A 51 34.938 -8.290 22.686 1.00 74.13 H new ATOM 0 HD3 LYS A 51 35.836 -7.078 23.578 1.00 74.13 H new ATOM 0 HE2 LYS A 51 35.442 -8.075 25.586 1.00 70.41 H new ATOM 0 HE3 LYS A 51 33.764 -8.406 25.207 1.00 70.41 H new ATOM 0 HZ1 LYS A 51 35.024 -10.444 25.452 1.00 3.23 H new ATOM 0 HZ2 LYS A 51 34.470 -10.295 23.854 1.00 3.23 H new ATOM 0 HZ3 LYS A 51 36.096 -9.975 24.222 1.00 3.23 H new ATOM 735 N LEU A 52 32.844 -3.831 19.958 1.00 2.11 N ATOM 736 CA LEU A 52 31.825 -2.898 19.490 1.00 42.13 C ATOM 737 C LEU A 52 31.003 -3.511 18.360 1.00 24.04 C ATOM 738 O LEU A 52 29.774 -3.545 18.422 1.00 20.22 O ATOM 739 CB LEU A 52 32.476 -1.598 19.014 1.00 11.34 C ATOM 740 CG LEU A 52 32.340 -0.397 19.952 1.00 73.24 C ATOM 741 CD1 LEU A 52 30.903 0.102 19.975 1.00 62.43 C ATOM 742 CD2 LEU A 52 32.802 -0.761 21.355 1.00 65.01 C ATOM 0 H LEU A 52 33.803 -3.533 19.778 1.00 2.11 H new ATOM 0 HA LEU A 52 31.157 -2.680 20.323 1.00 42.13 H new ATOM 0 HB2 LEU A 52 33.537 -1.786 18.848 1.00 11.34 H new ATOM 0 HB3 LEU A 52 32.045 -1.331 18.049 1.00 11.34 H new ATOM 0 HG LEU A 52 32.976 0.405 19.578 1.00 73.24 H new ATOM 0 HD11 LEU A 52 30.825 0.956 20.647 1.00 62.43 H new ATOM 0 HD12 LEU A 52 30.606 0.403 18.970 1.00 62.43 H new ATOM 0 HD13 LEU A 52 30.247 -0.695 20.324 1.00 62.43 H new ATOM 0 HD21 LEU A 52 32.698 0.105 22.008 1.00 65.01 H new ATOM 0 HD22 LEU A 52 32.192 -1.580 21.738 1.00 65.01 H new ATOM 0 HD23 LEU A 52 33.847 -1.070 21.325 1.00 65.01 H new ATOM 754 N ILE A 53 31.690 -3.996 17.331 1.00 4.35 N ATOM 755 CA ILE A 53 31.024 -4.611 16.190 1.00 11.43 C ATOM 756 C ILE A 53 30.454 -5.977 16.557 1.00 42.30 C ATOM 757 O ILE A 53 29.417 -6.388 16.037 1.00 13.02 O ATOM 758 CB ILE A 53 31.984 -4.771 14.997 1.00 50.22 C ATOM 759 CG1 ILE A 53 31.250 -5.385 13.803 1.00 24.50 C ATOM 760 CG2 ILE A 53 33.179 -5.627 15.389 1.00 13.04 C ATOM 761 CD1 ILE A 53 31.899 -5.078 12.472 1.00 62.14 C ATOM 0 H ILE A 53 32.708 -3.975 17.264 1.00 4.35 H new ATOM 0 HA ILE A 53 30.210 -3.945 15.903 1.00 11.43 H new ATOM 0 HB ILE A 53 32.348 -3.785 14.708 1.00 50.22 H new ATOM 0 HG12 ILE A 53 31.201 -6.466 13.934 1.00 24.50 H new ATOM 0 HG13 ILE A 53 30.223 -5.019 13.791 1.00 24.50 H new ATOM 0 HG21 ILE A 53 33.848 -5.731 14.535 1.00 13.04 H new ATOM 0 HG22 ILE A 53 33.712 -5.152 16.212 1.00 13.04 H new ATOM 0 HG23 ILE A 53 32.834 -6.613 15.701 1.00 13.04 H new ATOM 0 HD11 ILE A 53 31.325 -5.545 11.671 1.00 62.14 H new ATOM 0 HD12 ILE A 53 31.924 -3.999 12.319 1.00 62.14 H new ATOM 0 HD13 ILE A 53 32.917 -5.469 12.465 1.00 62.14 H new ATOM 773 N ASP A 54 31.139 -6.675 17.456 1.00 14.35 N ATOM 774 CA ASP A 54 30.700 -7.994 17.896 1.00 74.11 C ATOM 775 C ASP A 54 29.446 -7.890 18.759 1.00 21.21 C ATOM 776 O ASP A 54 28.518 -8.688 18.624 1.00 32.25 O ATOM 777 CB ASP A 54 31.815 -8.693 18.676 1.00 55.41 C ATOM 778 CG ASP A 54 31.411 -10.075 19.150 1.00 10.34 C ATOM 779 OD1 ASP A 54 30.730 -10.789 18.385 1.00 3.02 O ATOM 780 OD2 ASP A 54 31.775 -10.442 20.287 1.00 1.14 O ATOM 0 H ASP A 54 32.001 -6.349 17.894 1.00 14.35 H new ATOM 0 HA ASP A 54 30.462 -8.584 17.011 1.00 74.11 H new ATOM 0 HB2 ASP A 54 32.701 -8.773 18.046 1.00 55.41 H new ATOM 0 HB3 ASP A 54 32.090 -8.083 19.536 1.00 55.41 H new ATOM 785 N THR A 55 29.426 -6.901 19.648 1.00 72.53 N ATOM 786 CA THR A 55 28.288 -6.694 20.535 1.00 62.23 C ATOM 787 C THR A 55 27.101 -6.109 19.778 1.00 31.25 C ATOM 788 O THR A 55 25.951 -6.468 20.035 1.00 3.22 O ATOM 789 CB THR A 55 28.650 -5.758 21.703 1.00 11.10 C ATOM 790 OG1 THR A 55 29.699 -6.336 22.488 1.00 70.24 O ATOM 791 CG2 THR A 55 27.437 -5.497 22.583 1.00 52.21 C ATOM 0 H THR A 55 30.185 -6.231 19.772 1.00 72.53 H new ATOM 0 HA THR A 55 28.015 -7.671 20.934 1.00 62.23 H new ATOM 0 HB THR A 55 28.989 -4.809 21.287 1.00 11.10 H new ATOM 0 HG1 THR A 55 30.562 -5.971 22.200 1.00 70.24 H new ATOM 0 HG21 THR A 55 27.717 -4.833 23.401 1.00 52.21 H new ATOM 0 HG22 THR A 55 26.651 -5.030 21.990 1.00 52.21 H new ATOM 0 HG23 THR A 55 27.073 -6.440 22.990 1.00 52.21 H new ATOM 799 N TYR A 56 27.386 -5.208 18.845 1.00 11.14 N ATOM 800 CA TYR A 56 26.341 -4.572 18.053 1.00 55.34 C ATOM 801 C TYR A 56 25.683 -5.577 17.112 1.00 53.43 C ATOM 802 O TYR A 56 24.460 -5.600 16.968 1.00 72.45 O ATOM 803 CB TYR A 56 26.919 -3.406 17.248 1.00 21.34 C ATOM 804 CG TYR A 56 25.882 -2.394 16.817 1.00 72.53 C ATOM 805 CD1 TYR A 56 25.112 -2.601 15.679 1.00 60.32 C ATOM 806 CD2 TYR A 56 25.671 -1.232 17.548 1.00 40.32 C ATOM 807 CE1 TYR A 56 24.164 -1.679 15.281 1.00 71.15 C ATOM 808 CE2 TYR A 56 24.724 -0.305 17.158 1.00 51.42 C ATOM 809 CZ TYR A 56 23.973 -0.533 16.023 1.00 4.53 C ATOM 810 OH TYR A 56 23.029 0.388 15.631 1.00 72.14 O ATOM 0 H TYR A 56 28.332 -4.902 18.619 1.00 11.14 H new ATOM 0 HA TYR A 56 25.583 -4.192 18.738 1.00 55.34 H new ATOM 0 HB2 TYR A 56 27.678 -2.903 17.847 1.00 21.34 H new ATOM 0 HB3 TYR A 56 27.420 -3.799 16.363 1.00 21.34 H new ATOM 0 HD1 TYR A 56 25.257 -3.498 15.096 1.00 60.32 H new ATOM 0 HD2 TYR A 56 26.257 -1.050 18.437 1.00 40.32 H new ATOM 0 HE1 TYR A 56 23.575 -1.855 14.393 1.00 71.15 H new ATOM 0 HE2 TYR A 56 24.572 0.593 17.738 1.00 51.42 H new ATOM 0 HH TYR A 56 23.021 1.137 16.263 1.00 72.14 H new ATOM 820 N CYS A 57 26.503 -6.405 16.475 1.00 52.35 N ATOM 821 CA CYS A 57 26.002 -7.413 15.547 1.00 44.24 C ATOM 822 C CYS A 57 25.259 -8.516 16.292 1.00 72.31 C ATOM 823 O CYS A 57 24.157 -8.908 15.906 1.00 22.01 O ATOM 824 CB CYS A 57 27.156 -8.012 14.741 1.00 21.34 C ATOM 825 SG CYS A 57 27.646 -7.026 13.307 1.00 21.32 S ATOM 0 H CYS A 57 27.517 -6.399 16.584 1.00 52.35 H new ATOM 0 HA CYS A 57 25.305 -6.928 14.864 1.00 44.24 H new ATOM 0 HB2 CYS A 57 28.018 -8.133 15.397 1.00 21.34 H new ATOM 0 HB3 CYS A 57 26.870 -9.008 14.403 1.00 21.34 H new ATOM 0 HG CYS A 57 28.851 -7.354 12.946 1.00 21.32 H new ATOM 831 N LYS A 58 25.869 -9.016 17.361 1.00 1.23 N ATOM 832 CA LYS A 58 25.266 -10.075 18.162 1.00 65.02 C ATOM 833 C LYS A 58 23.950 -9.611 18.776 1.00 11.42 C ATOM 834 O LYS A 58 22.964 -10.348 18.788 1.00 11.11 O ATOM 835 CB LYS A 58 26.229 -10.518 19.266 1.00 33.02 C ATOM 836 CG LYS A 58 27.303 -11.479 18.788 1.00 72.54 C ATOM 837 CD LYS A 58 27.406 -12.696 19.692 1.00 13.14 C ATOM 838 CE LYS A 58 26.591 -13.862 19.153 1.00 25.03 C ATOM 839 NZ LYS A 58 26.605 -15.025 20.083 1.00 2.03 N ATOM 0 H LYS A 58 26.782 -8.705 17.693 1.00 1.23 H new ATOM 0 HA LYS A 58 25.061 -10.921 17.506 1.00 65.02 H new ATOM 0 HB2 LYS A 58 26.707 -9.637 19.695 1.00 33.02 H new ATOM 0 HB3 LYS A 58 25.659 -10.992 20.065 1.00 33.02 H new ATOM 0 HG2 LYS A 58 27.079 -11.799 17.770 1.00 72.54 H new ATOM 0 HG3 LYS A 58 28.264 -10.966 18.757 1.00 72.54 H new ATOM 0 HD2 LYS A 58 28.450 -12.993 19.786 1.00 13.14 H new ATOM 0 HD3 LYS A 58 27.057 -12.438 20.692 1.00 13.14 H new ATOM 0 HE2 LYS A 58 25.562 -13.541 18.988 1.00 25.03 H new ATOM 0 HE3 LYS A 58 26.989 -14.166 18.185 1.00 25.03 H new ATOM 0 HZ1 LYS A 58 26.039 -15.799 19.680 1.00 2.03 H new ATOM 0 HZ2 LYS A 58 27.584 -15.348 20.220 1.00 2.03 H new ATOM 0 HZ3 LYS A 58 26.202 -14.742 20.999 1.00 2.03 H new ATOM 853 N LYS A 59 23.940 -8.383 19.285 1.00 61.12 N ATOM 854 CA LYS A 59 22.744 -7.818 19.899 1.00 62.24 C ATOM 855 C LYS A 59 21.641 -7.624 18.863 1.00 1.11 C ATOM 856 O LYS A 59 20.488 -7.986 19.096 1.00 25.34 O ATOM 857 CB LYS A 59 23.072 -6.481 20.567 1.00 30.21 C ATOM 858 CG LYS A 59 23.754 -6.627 21.916 1.00 2.13 C ATOM 859 CD LYS A 59 22.743 -6.695 23.048 1.00 13.22 C ATOM 860 CE LYS A 59 23.405 -6.483 24.401 1.00 51.21 C ATOM 861 NZ LYS A 59 22.811 -5.332 25.135 1.00 15.33 N ATOM 0 H LYS A 59 24.748 -7.760 19.284 1.00 61.12 H new ATOM 0 HA LYS A 59 22.389 -8.518 20.656 1.00 62.24 H new ATOM 0 HB2 LYS A 59 23.715 -5.902 19.905 1.00 30.21 H new ATOM 0 HB3 LYS A 59 22.151 -5.912 20.694 1.00 30.21 H new ATOM 0 HG2 LYS A 59 24.366 -7.529 21.919 1.00 2.13 H new ATOM 0 HG3 LYS A 59 24.426 -5.785 22.078 1.00 2.13 H new ATOM 0 HD2 LYS A 59 21.974 -5.938 22.896 1.00 13.22 H new ATOM 0 HD3 LYS A 59 22.244 -7.664 23.034 1.00 13.22 H new ATOM 0 HE2 LYS A 59 23.303 -7.388 25.001 1.00 51.21 H new ATOM 0 HE3 LYS A 59 24.472 -6.312 24.260 1.00 51.21 H new ATOM 0 HZ1 LYS A 59 23.289 -5.221 26.052 1.00 15.33 H new ATOM 0 HZ2 LYS A 59 22.930 -4.464 24.575 1.00 15.33 H new ATOM 0 HZ3 LYS A 59 21.798 -5.506 25.292 1.00 15.33 H new ATOM 875 N GLN A 60 22.003 -7.052 17.720 1.00 44.45 N ATOM 876 CA GLN A 60 21.043 -6.811 16.649 1.00 45.42 C ATOM 877 C GLN A 60 20.463 -8.123 16.132 1.00 21.15 C ATOM 878 O GLN A 60 19.405 -8.141 15.506 1.00 74.52 O ATOM 879 CB GLN A 60 21.708 -6.047 15.502 1.00 52.11 C ATOM 880 CG GLN A 60 20.748 -5.673 14.384 1.00 64.35 C ATOM 881 CD GLN A 60 21.349 -4.683 13.406 1.00 43.23 C ATOM 882 OE1 GLN A 60 22.379 -4.951 12.786 1.00 73.52 O ATOM 883 NE2 GLN A 60 20.708 -3.529 13.262 1.00 11.12 N ATOM 0 H GLN A 60 22.954 -6.747 17.511 1.00 44.45 H new ATOM 0 HA GLN A 60 20.229 -6.210 17.054 1.00 45.42 H new ATOM 0 HB2 GLN A 60 22.164 -5.139 15.897 1.00 52.11 H new ATOM 0 HB3 GLN A 60 22.513 -6.655 15.090 1.00 52.11 H new ATOM 0 HG2 GLN A 60 20.453 -6.574 13.847 1.00 64.35 H new ATOM 0 HG3 GLN A 60 19.842 -5.247 14.815 1.00 64.35 H new ATOM 0 HE21 GLN A 60 19.858 -3.348 13.795 1.00 11.12 H new ATOM 0 HE22 GLN A 60 21.066 -2.824 12.618 1.00 11.12 H new ATOM 892 N GLY A 61 21.164 -9.221 16.400 1.00 44.30 N ATOM 893 CA GLY A 61 20.703 -10.523 15.955 1.00 42.43 C ATOM 894 C GLY A 61 21.128 -10.833 14.533 1.00 53.10 C ATOM 895 O GLY A 61 20.467 -11.603 13.835 1.00 52.40 O ATOM 0 H GLY A 61 22.043 -9.232 16.917 1.00 44.30 H new ATOM 0 HA2 GLY A 61 21.093 -11.291 16.623 1.00 42.43 H new ATOM 0 HA3 GLY A 61 19.616 -10.563 16.023 1.00 42.43 H new ATOM 899 N ILE A 62 22.232 -10.232 14.102 1.00 32.14 N ATOM 900 CA ILE A 62 22.742 -10.448 12.754 1.00 25.44 C ATOM 901 C ILE A 62 24.258 -10.621 12.762 1.00 54.53 C ATOM 902 O ILE A 62 24.973 -9.883 13.440 1.00 62.24 O ATOM 903 CB ILE A 62 22.374 -9.282 11.819 1.00 41.22 C ATOM 904 CG1 ILE A 62 22.944 -7.968 12.358 1.00 54.13 C ATOM 905 CG2 ILE A 62 20.864 -9.186 11.661 1.00 10.33 C ATOM 906 CD1 ILE A 62 24.296 -7.613 11.780 1.00 71.41 C ATOM 0 H ILE A 62 22.790 -9.592 14.667 1.00 32.14 H new ATOM 0 HA ILE A 62 22.276 -11.361 12.382 1.00 25.44 H new ATOM 0 HB ILE A 62 22.811 -9.470 10.838 1.00 41.22 H new ATOM 0 HG12 ILE A 62 22.243 -7.162 12.142 1.00 54.13 H new ATOM 0 HG13 ILE A 62 23.028 -8.036 13.443 1.00 54.13 H new ATOM 0 HG21 ILE A 62 20.620 -8.357 10.997 1.00 10.33 H new ATOM 0 HG22 ILE A 62 20.483 -10.115 11.237 1.00 10.33 H new ATOM 0 HG23 ILE A 62 20.406 -9.017 12.636 1.00 10.33 H new ATOM 0 HD11 ILE A 62 24.638 -6.670 12.207 1.00 71.41 H new ATOM 0 HD12 ILE A 62 25.012 -8.400 12.018 1.00 71.41 H new ATOM 0 HD13 ILE A 62 24.214 -7.512 10.698 1.00 71.41 H new ATOM 918 N SER A 63 24.740 -11.598 12.001 1.00 23.13 N ATOM 919 CA SER A 63 26.171 -11.869 11.921 1.00 11.13 C ATOM 920 C SER A 63 26.930 -10.639 11.432 1.00 70.20 C ATOM 921 O SER A 63 26.328 -9.643 11.031 1.00 75.33 O ATOM 922 CB SER A 63 26.436 -13.051 10.987 1.00 23.13 C ATOM 923 OG SER A 63 25.790 -14.223 11.452 1.00 74.30 O ATOM 0 H SER A 63 24.161 -12.215 11.431 1.00 23.13 H new ATOM 0 HA SER A 63 26.525 -12.119 12.921 1.00 11.13 H new ATOM 0 HB2 SER A 63 26.084 -12.812 9.984 1.00 23.13 H new ATOM 0 HB3 SER A 63 27.509 -13.228 10.915 1.00 23.13 H new ATOM 0 HG SER A 63 25.973 -14.964 10.837 1.00 74.30 H new ATOM 929 N ARG A 64 28.256 -10.717 11.469 1.00 42.04 N ATOM 930 CA ARG A 64 29.099 -9.611 11.030 1.00 12.24 C ATOM 931 C ARG A 64 29.342 -9.676 9.525 1.00 3.25 C ATOM 932 O ARG A 64 30.483 -9.620 9.069 1.00 61.45 O ATOM 933 CB ARG A 64 30.435 -9.633 11.775 1.00 33.24 C ATOM 934 CG ARG A 64 31.160 -10.966 11.685 1.00 1.22 C ATOM 935 CD ARG A 64 31.056 -11.746 12.986 1.00 10.03 C ATOM 936 NE ARG A 64 32.297 -11.698 13.754 1.00 24.21 N ATOM 937 CZ ARG A 64 33.397 -12.362 13.416 1.00 72.53 C ATOM 938 NH1 ARG A 64 33.409 -13.121 12.328 1.00 33.14 N ATOM 939 NH2 ARG A 64 34.488 -12.268 14.165 1.00 35.34 N ATOM 0 H ARG A 64 28.770 -11.534 11.798 1.00 42.04 H new ATOM 0 HA ARG A 64 28.580 -8.680 11.256 1.00 12.24 H new ATOM 0 HB2 ARG A 64 31.079 -8.851 11.373 1.00 33.24 H new ATOM 0 HB3 ARG A 64 30.260 -9.394 12.824 1.00 33.24 H new ATOM 0 HG2 ARG A 64 30.739 -11.556 10.871 1.00 1.22 H new ATOM 0 HG3 ARG A 64 32.209 -10.795 11.445 1.00 1.22 H new ATOM 0 HD2 ARG A 64 30.242 -11.341 13.587 1.00 10.03 H new ATOM 0 HD3 ARG A 64 30.805 -12.784 12.767 1.00 10.03 H new ATOM 0 HE ARG A 64 32.321 -11.123 14.596 1.00 24.21 H new ATOM 0 HH11 ARG A 64 32.573 -13.196 11.749 1.00 33.14 H new ATOM 0 HH12 ARG A 64 34.255 -13.630 12.070 1.00 33.14 H new ATOM 0 HH21 ARG A 64 34.483 -11.685 15.002 1.00 35.34 H new ATOM 0 HH22 ARG A 64 35.331 -12.779 13.904 1.00 35.34 H new ATOM 953 N ASN A 65 28.262 -9.794 8.761 1.00 75.20 N ATOM 954 CA ASN A 65 28.358 -9.868 7.308 1.00 52.04 C ATOM 955 C ASN A 65 27.279 -9.015 6.647 1.00 73.40 C ATOM 956 O ASN A 65 26.593 -9.465 5.729 1.00 31.53 O ATOM 957 CB ASN A 65 28.234 -11.320 6.840 1.00 14.35 C ATOM 958 CG ASN A 65 26.981 -11.992 7.368 1.00 12.33 C ATOM 959 OD1 ASN A 65 25.922 -11.371 7.459 1.00 35.14 O ATOM 960 ND2 ASN A 65 27.097 -13.267 7.719 1.00 30.14 N ATOM 0 H ASN A 65 27.310 -9.840 9.124 1.00 75.20 H new ATOM 0 HA ASN A 65 29.333 -9.481 7.014 1.00 52.04 H new ATOM 0 HB2 ASN A 65 28.227 -11.348 5.750 1.00 14.35 H new ATOM 0 HB3 ASN A 65 29.109 -11.881 7.168 1.00 14.35 H new ATOM 0 HD21 ASN A 65 26.288 -13.772 8.081 1.00 30.14 H new ATOM 0 HD22 ASN A 65 27.995 -13.742 7.626 1.00 30.14 H new ATOM 967 N SER A 66 27.135 -7.782 7.120 1.00 11.42 N ATOM 968 CA SER A 66 26.137 -6.866 6.578 1.00 64.50 C ATOM 969 C SER A 66 26.199 -5.516 7.284 1.00 12.43 C ATOM 970 O SER A 66 25.175 -4.865 7.496 1.00 71.51 O ATOM 971 CB SER A 66 24.736 -7.465 6.718 1.00 43.33 C ATOM 972 OG SER A 66 23.987 -7.291 5.528 1.00 54.13 O ATOM 0 H SER A 66 27.697 -7.393 7.878 1.00 11.42 H new ATOM 0 HA SER A 66 26.355 -6.713 5.521 1.00 64.50 H new ATOM 0 HB2 SER A 66 24.813 -8.527 6.951 1.00 43.33 H new ATOM 0 HB3 SER A 66 24.216 -6.992 7.551 1.00 43.33 H new ATOM 0 HG SER A 66 23.096 -7.683 5.642 1.00 54.13 H new ATOM 978 N VAL A 67 27.408 -5.099 7.647 1.00 12.03 N ATOM 979 CA VAL A 67 27.605 -3.825 8.329 1.00 32.30 C ATOM 980 C VAL A 67 28.997 -3.267 8.059 1.00 65.01 C ATOM 981 O VAL A 67 30.004 -3.898 8.383 1.00 52.04 O ATOM 982 CB VAL A 67 27.406 -3.966 9.850 1.00 63.21 C ATOM 983 CG1 VAL A 67 25.929 -4.103 10.185 1.00 10.24 C ATOM 984 CG2 VAL A 67 28.194 -5.154 10.382 1.00 43.41 C ATOM 0 H VAL A 67 28.266 -5.625 7.480 1.00 12.03 H new ATOM 0 HA VAL A 67 26.858 -3.136 7.935 1.00 32.30 H new ATOM 0 HB VAL A 67 27.781 -3.064 10.333 1.00 63.21 H new ATOM 0 HG11 VAL A 67 25.808 -4.202 11.264 1.00 10.24 H new ATOM 0 HG12 VAL A 67 25.394 -3.219 9.839 1.00 10.24 H new ATOM 0 HG13 VAL A 67 25.525 -4.987 9.692 1.00 10.24 H new ATOM 0 HG21 VAL A 67 28.042 -5.239 11.458 1.00 43.41 H new ATOM 0 HG22 VAL A 67 27.851 -6.066 9.894 1.00 43.41 H new ATOM 0 HG23 VAL A 67 29.254 -5.009 10.176 1.00 43.41 H new ATOM 994 N ARG A 68 29.048 -2.080 7.464 1.00 12.41 N ATOM 995 CA ARG A 68 30.318 -1.436 7.149 1.00 15.05 C ATOM 996 C ARG A 68 30.714 -0.452 8.246 1.00 44.43 C ATOM 997 O ARG A 68 30.084 0.592 8.416 1.00 53.04 O ATOM 998 CB ARG A 68 30.227 -0.710 5.806 1.00 74.11 C ATOM 999 CG ARG A 68 31.559 -0.169 5.314 1.00 24.34 C ATOM 1000 CD ARG A 68 32.519 -1.293 4.956 1.00 32.52 C ATOM 1001 NE ARG A 68 32.660 -1.453 3.511 1.00 32.14 N ATOM 1002 CZ ARG A 68 33.591 -2.211 2.943 1.00 31.22 C ATOM 1003 NH1 ARG A 68 34.458 -2.876 3.694 1.00 43.10 N ATOM 1004 NH2 ARG A 68 33.655 -2.306 1.621 1.00 22.03 N ATOM 0 H ARG A 68 28.224 -1.544 7.190 1.00 12.41 H new ATOM 0 HA ARG A 68 31.083 -2.209 7.084 1.00 15.05 H new ATOM 0 HB2 ARG A 68 29.825 -1.394 5.059 1.00 74.11 H new ATOM 0 HB3 ARG A 68 29.520 0.115 5.896 1.00 74.11 H new ATOM 0 HG2 ARG A 68 31.396 0.464 4.441 1.00 24.34 H new ATOM 0 HG3 ARG A 68 32.005 0.460 6.085 1.00 24.34 H new ATOM 0 HD2 ARG A 68 33.496 -1.089 5.395 1.00 32.52 H new ATOM 0 HD3 ARG A 68 32.162 -2.227 5.391 1.00 32.52 H new ATOM 0 HE ARG A 68 32.008 -0.955 2.905 1.00 32.14 H new ATOM 0 HH11 ARG A 68 34.411 -2.806 4.711 1.00 43.10 H new ATOM 0 HH12 ARG A 68 35.172 -3.457 3.255 1.00 43.10 H new ATOM 0 HH21 ARG A 68 32.989 -1.797 1.040 1.00 22.03 H new ATOM 0 HH22 ARG A 68 34.370 -2.888 1.186 1.00 22.03 H new ATOM 1018 N PHE A 69 31.763 -0.791 8.988 1.00 63.45 N ATOM 1019 CA PHE A 69 32.244 0.061 10.069 1.00 54.44 C ATOM 1020 C PHE A 69 33.407 0.930 9.600 1.00 50.41 C ATOM 1021 O PHE A 69 34.531 0.451 9.442 1.00 13.31 O ATOM 1022 CB PHE A 69 32.677 -0.790 11.264 1.00 44.12 C ATOM 1023 CG PHE A 69 31.551 -1.132 12.197 1.00 51.25 C ATOM 1024 CD1 PHE A 69 30.311 -1.501 11.701 1.00 60.25 C ATOM 1025 CD2 PHE A 69 31.732 -1.083 13.569 1.00 33.24 C ATOM 1026 CE1 PHE A 69 29.272 -1.817 12.556 1.00 3.21 C ATOM 1027 CE2 PHE A 69 30.697 -1.398 14.430 1.00 71.12 C ATOM 1028 CZ PHE A 69 29.465 -1.764 13.923 1.00 64.24 C ATOM 0 H PHE A 69 32.297 -1.651 8.860 1.00 63.45 H new ATOM 0 HA PHE A 69 31.426 0.714 10.375 1.00 54.44 H new ATOM 0 HB2 PHE A 69 33.128 -1.713 10.898 1.00 44.12 H new ATOM 0 HB3 PHE A 69 33.449 -0.256 11.819 1.00 44.12 H new ATOM 0 HD1 PHE A 69 30.154 -1.542 10.633 1.00 60.25 H new ATOM 0 HD2 PHE A 69 32.692 -0.796 13.971 1.00 33.24 H new ATOM 0 HE1 PHE A 69 28.311 -2.105 12.156 1.00 3.21 H new ATOM 0 HE2 PHE A 69 30.852 -1.358 15.498 1.00 71.12 H new ATOM 0 HZ PHE A 69 28.655 -2.008 14.594 1.00 64.24 H new ATOM 1038 N LEU A 70 33.129 2.210 9.378 1.00 4.53 N ATOM 1039 CA LEU A 70 34.152 3.148 8.927 1.00 52.11 C ATOM 1040 C LEU A 70 34.391 4.236 9.968 1.00 15.55 C ATOM 1041 O LEU A 70 33.499 4.570 10.749 1.00 55.02 O ATOM 1042 CB LEU A 70 33.740 3.781 7.597 1.00 72.14 C ATOM 1043 CG LEU A 70 32.249 4.074 7.426 1.00 12.31 C ATOM 1044 CD1 LEU A 70 31.822 5.215 8.337 1.00 74.30 C ATOM 1045 CD2 LEU A 70 31.932 4.402 5.974 1.00 23.31 C ATOM 0 H LEU A 70 32.204 2.622 9.503 1.00 4.53 H new ATOM 0 HA LEU A 70 35.081 2.595 8.787 1.00 52.11 H new ATOM 0 HB2 LEU A 70 34.289 4.715 7.476 1.00 72.14 H new ATOM 0 HB3 LEU A 70 34.055 3.119 6.790 1.00 72.14 H new ATOM 0 HG LEU A 70 31.689 3.182 7.706 1.00 12.31 H new ATOM 0 HD11 LEU A 70 30.758 5.410 8.202 1.00 74.30 H new ATOM 0 HD12 LEU A 70 32.012 4.942 9.375 1.00 74.30 H new ATOM 0 HD13 LEU A 70 32.389 6.112 8.088 1.00 74.30 H new ATOM 0 HD21 LEU A 70 30.866 4.608 5.872 1.00 23.31 H new ATOM 0 HD22 LEU A 70 32.502 5.279 5.666 1.00 23.31 H new ATOM 0 HD23 LEU A 70 32.200 3.555 5.343 1.00 23.31 H new ATOM 1057 N PHE A 71 35.599 4.788 9.974 1.00 44.34 N ATOM 1058 CA PHE A 71 35.955 5.841 10.918 1.00 25.54 C ATOM 1059 C PHE A 71 36.536 7.050 10.192 1.00 43.11 C ATOM 1060 O PHE A 71 37.677 7.022 9.730 1.00 22.51 O ATOM 1061 CB PHE A 71 36.963 5.315 11.944 1.00 55.23 C ATOM 1062 CG PHE A 71 37.657 6.402 12.713 1.00 13.34 C ATOM 1063 CD1 PHE A 71 36.943 7.480 13.212 1.00 2.13 C ATOM 1064 CD2 PHE A 71 39.023 6.347 12.938 1.00 71.54 C ATOM 1065 CE1 PHE A 71 37.579 8.482 13.921 1.00 32.04 C ATOM 1066 CE2 PHE A 71 39.664 7.345 13.646 1.00 12.12 C ATOM 1067 CZ PHE A 71 38.941 8.415 14.138 1.00 61.33 C ATOM 0 H PHE A 71 36.349 4.524 9.335 1.00 44.34 H new ATOM 0 HA PHE A 71 35.048 6.152 11.435 1.00 25.54 H new ATOM 0 HB2 PHE A 71 36.447 4.658 12.644 1.00 55.23 H new ATOM 0 HB3 PHE A 71 37.710 4.710 11.430 1.00 55.23 H new ATOM 0 HD1 PHE A 71 35.878 7.538 13.045 1.00 2.13 H new ATOM 0 HD2 PHE A 71 39.594 5.514 12.555 1.00 71.54 H new ATOM 0 HE1 PHE A 71 37.011 9.317 14.305 1.00 32.04 H new ATOM 0 HE2 PHE A 71 40.729 7.289 13.815 1.00 12.12 H new ATOM 0 HZ PHE A 71 39.440 9.197 14.691 1.00 61.33 H new ATOM 1077 N ASP A 72 35.743 8.111 10.094 1.00 12.14 N ATOM 1078 CA ASP A 72 36.177 9.332 9.425 1.00 60.42 C ATOM 1079 C ASP A 72 36.630 9.037 7.998 1.00 1.02 C ATOM 1080 O ASP A 72 37.519 9.702 7.469 1.00 41.34 O ATOM 1081 CB ASP A 72 37.313 9.992 10.208 1.00 71.12 C ATOM 1082 CG ASP A 72 37.121 11.488 10.355 1.00 11.51 C ATOM 1083 OD1 ASP A 72 36.253 11.900 11.153 1.00 35.01 O ATOM 1084 OD2 ASP A 72 37.840 12.248 9.673 1.00 14.42 O ATOM 0 H ASP A 72 34.795 8.150 10.470 1.00 12.14 H new ATOM 0 HA ASP A 72 35.329 10.016 9.384 1.00 60.42 H new ATOM 0 HB2 ASP A 72 37.380 9.538 11.197 1.00 71.12 H new ATOM 0 HB3 ASP A 72 38.259 9.798 9.703 1.00 71.12 H new ATOM 1089 N GLY A 73 36.013 8.034 7.382 1.00 75.24 N ATOM 1090 CA GLY A 73 36.367 7.668 6.023 1.00 73.23 C ATOM 1091 C GLY A 73 37.282 6.461 5.967 1.00 33.41 C ATOM 1092 O GLY A 73 37.812 6.121 4.909 1.00 40.44 O ATOM 0 H GLY A 73 35.274 7.468 7.800 1.00 75.24 H new ATOM 0 HA2 GLY A 73 35.459 7.458 5.458 1.00 73.23 H new ATOM 0 HA3 GLY A 73 36.855 8.513 5.538 1.00 73.23 H new ATOM 1096 N THR A 74 37.470 5.809 7.111 1.00 50.42 N ATOM 1097 CA THR A 74 38.329 4.635 7.189 1.00 24.01 C ATOM 1098 C THR A 74 37.511 3.368 7.408 1.00 14.03 C ATOM 1099 O THR A 74 37.339 2.898 8.533 1.00 33.11 O ATOM 1100 CB THR A 74 39.361 4.769 8.325 1.00 63.40 C ATOM 1101 OG1 THR A 74 39.959 6.070 8.293 1.00 31.54 O ATOM 1102 CG2 THR A 74 40.442 3.705 8.202 1.00 2.30 C ATOM 0 H THR A 74 37.038 6.075 7.996 1.00 50.42 H new ATOM 0 HA THR A 74 38.854 4.564 6.237 1.00 24.01 H new ATOM 0 HB THR A 74 38.844 4.631 9.274 1.00 63.40 H new ATOM 0 HG1 THR A 74 39.373 6.711 8.748 1.00 31.54 H new ATOM 0 HG21 THR A 74 41.159 3.819 9.015 1.00 2.30 H new ATOM 0 HG22 THR A 74 39.987 2.716 8.256 1.00 2.30 H new ATOM 0 HG23 THR A 74 40.955 3.816 7.247 1.00 2.30 H new ATOM 1110 N PRO A 75 36.993 2.800 6.309 1.00 34.33 N ATOM 1111 CA PRO A 75 36.184 1.578 6.356 1.00 12.01 C ATOM 1112 C PRO A 75 37.010 0.349 6.721 1.00 1.51 C ATOM 1113 O PRO A 75 37.639 -0.266 5.859 1.00 13.42 O ATOM 1114 CB PRO A 75 35.644 1.455 4.929 1.00 63.11 C ATOM 1115 CG PRO A 75 36.635 2.181 4.086 1.00 54.34 C ATOM 1116 CD PRO A 75 37.157 3.306 4.936 1.00 21.22 C ATOM 0 HA PRO A 75 35.406 1.633 7.118 1.00 12.01 H new ATOM 0 HB2 PRO A 75 35.557 0.411 4.627 1.00 63.11 H new ATOM 0 HB3 PRO A 75 34.651 1.896 4.842 1.00 63.11 H new ATOM 0 HG2 PRO A 75 37.443 1.519 3.776 1.00 54.34 H new ATOM 0 HG3 PRO A 75 36.169 2.562 3.177 1.00 54.34 H new ATOM 0 HD2 PRO A 75 38.200 3.529 4.712 1.00 21.22 H new ATOM 0 HD3 PRO A 75 36.593 4.225 4.776 1.00 21.22 H new ATOM 1124 N ILE A 76 37.004 -0.002 8.002 1.00 21.53 N ATOM 1125 CA ILE A 76 37.752 -1.159 8.480 1.00 41.22 C ATOM 1126 C ILE A 76 37.048 -1.820 9.660 1.00 41.11 C ATOM 1127 O ILE A 76 36.340 -1.161 10.422 1.00 61.22 O ATOM 1128 CB ILE A 76 39.181 -0.770 8.902 1.00 44.25 C ATOM 1129 CG1 ILE A 76 39.846 0.075 7.813 1.00 55.43 C ATOM 1130 CG2 ILE A 76 40.006 -2.015 9.190 1.00 61.33 C ATOM 1131 CD1 ILE A 76 41.240 0.538 8.173 1.00 30.21 C ATOM 0 H ILE A 76 36.490 0.498 8.728 1.00 21.53 H new ATOM 0 HA ILE A 76 37.806 -1.864 7.651 1.00 41.22 H new ATOM 0 HB ILE A 76 39.125 -0.176 9.814 1.00 44.25 H new ATOM 0 HG12 ILE A 76 39.892 -0.505 6.892 1.00 55.43 H new ATOM 0 HG13 ILE A 76 39.224 0.947 7.610 1.00 55.43 H new ATOM 0 HG21 ILE A 76 41.013 -1.723 9.487 1.00 61.33 H new ATOM 0 HG22 ILE A 76 39.540 -2.582 9.996 1.00 61.33 H new ATOM 0 HG23 ILE A 76 40.057 -2.633 8.294 1.00 61.33 H new ATOM 0 HD11 ILE A 76 41.649 1.131 7.355 1.00 30.21 H new ATOM 0 HD12 ILE A 76 41.199 1.146 9.077 1.00 30.21 H new ATOM 0 HD13 ILE A 76 41.878 -0.329 8.347 1.00 30.21 H new ATOM 1143 N ASP A 77 37.249 -3.125 9.806 1.00 52.12 N ATOM 1144 CA ASP A 77 36.636 -3.876 10.895 1.00 13.33 C ATOM 1145 C ASP A 77 37.700 -4.541 11.763 1.00 75.01 C ATOM 1146 O ASP A 77 38.095 -5.679 11.512 1.00 11.04 O ATOM 1147 CB ASP A 77 35.679 -4.932 10.340 1.00 12.11 C ATOM 1148 CG ASP A 77 36.231 -5.624 9.109 1.00 1.43 C ATOM 1149 OD1 ASP A 77 36.003 -5.117 7.991 1.00 41.52 O ATOM 1150 OD2 ASP A 77 36.892 -6.671 9.265 1.00 61.45 O ATOM 0 H ASP A 77 37.832 -3.685 9.184 1.00 52.12 H new ATOM 0 HA ASP A 77 36.073 -3.177 11.514 1.00 13.33 H new ATOM 0 HB2 ASP A 77 35.476 -5.675 11.111 1.00 12.11 H new ATOM 0 HB3 ASP A 77 34.727 -4.462 10.093 1.00 12.11 H new ATOM 1155 N GLU A 78 38.159 -3.822 12.783 1.00 72.43 N ATOM 1156 CA GLU A 78 39.178 -4.343 13.686 1.00 64.44 C ATOM 1157 C GLU A 78 39.513 -3.326 14.773 1.00 63.41 C ATOM 1158 O GLU A 78 39.174 -2.148 14.663 1.00 15.35 O ATOM 1159 CB GLU A 78 40.443 -4.708 12.906 1.00 65.01 C ATOM 1160 CG GLU A 78 40.654 -6.205 12.753 1.00 21.03 C ATOM 1161 CD GLU A 78 41.642 -6.761 13.761 1.00 55.01 C ATOM 1162 OE1 GLU A 78 42.807 -6.312 13.761 1.00 54.23 O ATOM 1163 OE2 GLU A 78 41.248 -7.646 14.550 1.00 3.40 O ATOM 0 H GLU A 78 37.841 -2.878 13.004 1.00 72.43 H new ATOM 0 HA GLU A 78 38.782 -5.240 14.162 1.00 64.44 H new ATOM 0 HB2 GLU A 78 40.393 -4.254 11.916 1.00 65.01 H new ATOM 0 HB3 GLU A 78 41.308 -4.278 13.411 1.00 65.01 H new ATOM 0 HG2 GLU A 78 39.698 -6.716 12.867 1.00 21.03 H new ATOM 0 HG3 GLU A 78 41.011 -6.417 11.745 1.00 21.03 H new ATOM 1170 N THR A 79 40.182 -3.791 15.824 1.00 40.01 N ATOM 1171 CA THR A 79 40.562 -2.924 16.932 1.00 33.23 C ATOM 1172 C THR A 79 42.045 -2.578 16.877 1.00 63.44 C ATOM 1173 O THR A 79 42.625 -2.123 17.863 1.00 60.13 O ATOM 1174 CB THR A 79 40.250 -3.580 18.291 1.00 53.03 C ATOM 1175 OG1 THR A 79 40.534 -2.664 19.354 1.00 50.22 O ATOM 1176 CG2 THR A 79 41.065 -4.851 18.478 1.00 12.31 C ATOM 0 H THR A 79 40.472 -4.763 15.931 1.00 40.01 H new ATOM 0 HA THR A 79 39.975 -2.011 16.834 1.00 33.23 H new ATOM 0 HB THR A 79 39.192 -3.840 18.310 1.00 53.03 H new ATOM 0 HG1 THR A 79 41.390 -2.219 19.183 1.00 50.22 H new ATOM 0 HG21 THR A 79 40.828 -5.296 19.444 1.00 12.31 H new ATOM 0 HG22 THR A 79 40.824 -5.558 17.684 1.00 12.31 H new ATOM 0 HG23 THR A 79 42.128 -4.611 18.440 1.00 12.31 H new ATOM 1184 N LYS A 80 42.656 -2.797 15.717 1.00 53.33 N ATOM 1185 CA LYS A 80 44.072 -2.506 15.531 1.00 65.44 C ATOM 1186 C LYS A 80 44.270 -1.389 14.511 1.00 34.02 C ATOM 1187 O LYS A 80 45.103 -0.502 14.699 1.00 21.23 O ATOM 1188 CB LYS A 80 44.816 -3.764 15.075 1.00 2.10 C ATOM 1189 CG LYS A 80 44.973 -4.807 16.168 1.00 73.44 C ATOM 1190 CD LYS A 80 45.757 -4.263 17.350 1.00 31.50 C ATOM 1191 CE LYS A 80 46.990 -5.106 17.636 1.00 22.51 C ATOM 1192 NZ LYS A 80 46.652 -6.547 17.799 1.00 74.54 N ATOM 0 H LYS A 80 42.192 -3.175 14.891 1.00 53.33 H new ATOM 0 HA LYS A 80 44.478 -2.176 16.487 1.00 65.44 H new ATOM 0 HB2 LYS A 80 44.282 -4.208 14.235 1.00 2.10 H new ATOM 0 HB3 LYS A 80 45.803 -3.480 14.711 1.00 2.10 H new ATOM 0 HG2 LYS A 80 43.989 -5.135 16.503 1.00 73.44 H new ATOM 0 HG3 LYS A 80 45.481 -5.683 15.766 1.00 73.44 H new ATOM 0 HD2 LYS A 80 46.057 -3.235 17.147 1.00 31.50 H new ATOM 0 HD3 LYS A 80 45.118 -4.240 18.233 1.00 31.50 H new ATOM 0 HE2 LYS A 80 47.705 -4.991 16.822 1.00 22.51 H new ATOM 0 HE3 LYS A 80 47.476 -4.743 18.541 1.00 22.51 H new ATOM 0 HZ1 LYS A 80 47.318 -6.987 18.466 1.00 74.54 H new ATOM 0 HZ2 LYS A 80 45.684 -6.637 18.167 1.00 74.54 H new ATOM 0 HZ3 LYS A 80 46.718 -7.025 16.878 1.00 74.54 H new ATOM 1206 N THR A 81 43.496 -1.436 13.431 1.00 62.32 N ATOM 1207 CA THR A 81 43.586 -0.428 12.382 1.00 33.31 C ATOM 1208 C THR A 81 43.226 0.954 12.916 1.00 70.43 C ATOM 1209 O THR A 81 44.034 1.883 12.897 1.00 72.54 O ATOM 1210 CB THR A 81 42.660 -0.766 11.198 1.00 1.20 C ATOM 1211 OG1 THR A 81 41.869 -1.918 11.508 1.00 72.32 O ATOM 1212 CG2 THR A 81 43.469 -1.024 9.936 1.00 53.14 C ATOM 0 H THR A 81 42.800 -2.162 13.260 1.00 62.32 H new ATOM 0 HA THR A 81 44.619 -0.423 12.035 1.00 33.31 H new ATOM 0 HB THR A 81 42.004 0.087 11.022 1.00 1.20 H new ATOM 0 HG1 THR A 81 42.262 -2.709 11.083 1.00 72.32 H new ATOM 0 HG21 THR A 81 42.794 -1.261 9.113 1.00 53.14 H new ATOM 0 HG22 THR A 81 44.047 -0.135 9.686 1.00 53.14 H new ATOM 0 HG23 THR A 81 44.146 -1.862 10.103 1.00 53.14 H new ATOM 1220 N PRO A 82 41.985 1.095 13.405 1.00 40.54 N ATOM 1221 CA PRO A 82 41.491 2.361 13.954 1.00 13.32 C ATOM 1222 C PRO A 82 42.158 2.719 15.278 1.00 64.23 C ATOM 1223 O PRO A 82 42.144 3.875 15.697 1.00 2.34 O ATOM 1224 CB PRO A 82 39.997 2.098 14.163 1.00 42.33 C ATOM 1225 CG PRO A 82 39.892 0.621 14.326 1.00 11.31 C ATOM 1226 CD PRO A 82 40.969 0.031 13.459 1.00 61.11 C ATOM 0 HA PRO A 82 41.702 3.201 13.293 1.00 13.32 H new ATOM 0 HB2 PRO A 82 39.622 2.621 15.043 1.00 42.33 H new ATOM 0 HB3 PRO A 82 39.411 2.445 13.312 1.00 42.33 H new ATOM 0 HG2 PRO A 82 40.029 0.333 15.368 1.00 11.31 H new ATOM 0 HG3 PRO A 82 38.908 0.264 14.023 1.00 11.31 H new ATOM 0 HD2 PRO A 82 41.371 -0.887 13.887 1.00 61.11 H new ATOM 0 HD3 PRO A 82 40.594 -0.218 12.466 1.00 61.11 H new ATOM 1234 N GLU A 83 42.743 1.718 15.930 1.00 53.43 N ATOM 1235 CA GLU A 83 43.415 1.929 17.206 1.00 4.12 C ATOM 1236 C GLU A 83 44.756 2.630 17.006 1.00 50.04 C ATOM 1237 O GLU A 83 45.034 3.650 17.634 1.00 1.44 O ATOM 1238 CB GLU A 83 43.628 0.594 17.923 1.00 72.24 C ATOM 1239 CG GLU A 83 44.808 0.597 18.879 1.00 1.44 C ATOM 1240 CD GLU A 83 44.934 -0.699 19.656 1.00 73.02 C ATOM 1241 OE1 GLU A 83 44.920 -1.775 19.022 1.00 53.42 O ATOM 1242 OE2 GLU A 83 45.046 -0.637 20.898 1.00 23.31 O ATOM 0 H GLU A 83 42.765 0.755 15.595 1.00 53.43 H new ATOM 0 HA GLU A 83 42.779 2.566 17.820 1.00 4.12 H new ATOM 0 HB2 GLU A 83 42.724 0.340 18.476 1.00 72.24 H new ATOM 0 HB3 GLU A 83 43.776 -0.189 17.179 1.00 72.24 H new ATOM 0 HG2 GLU A 83 45.726 0.770 18.317 1.00 1.44 H new ATOM 0 HG3 GLU A 83 44.702 1.426 19.578 1.00 1.44 H new ATOM 1249 N GLU A 84 45.582 2.074 16.125 1.00 22.53 N ATOM 1250 CA GLU A 84 46.894 2.644 15.843 1.00 50.40 C ATOM 1251 C GLU A 84 46.771 3.875 14.949 1.00 72.00 C ATOM 1252 O GLU A 84 47.640 4.748 14.951 1.00 22.32 O ATOM 1253 CB GLU A 84 47.795 1.603 15.175 1.00 11.42 C ATOM 1254 CG GLU A 84 47.512 1.414 13.694 1.00 3.23 C ATOM 1255 CD GLU A 84 48.443 2.226 12.814 1.00 31.14 C ATOM 1256 OE1 GLU A 84 48.983 3.242 13.301 1.00 33.41 O ATOM 1257 OE2 GLU A 84 48.631 1.846 11.640 1.00 43.11 O ATOM 0 H GLU A 84 45.366 1.230 15.595 1.00 22.53 H new ATOM 0 HA GLU A 84 47.341 2.946 16.790 1.00 50.40 H new ATOM 0 HB2 GLU A 84 48.836 1.900 15.302 1.00 11.42 H new ATOM 0 HB3 GLU A 84 47.672 0.647 15.685 1.00 11.42 H new ATOM 0 HG2 GLU A 84 47.608 0.358 13.441 1.00 3.23 H new ATOM 0 HG3 GLU A 84 46.481 1.699 13.486 1.00 3.23 H new ATOM 1264 N LEU A 85 45.686 3.938 14.185 1.00 32.42 N ATOM 1265 CA LEU A 85 45.448 5.061 13.285 1.00 74.41 C ATOM 1266 C LEU A 85 44.845 6.243 14.037 1.00 60.02 C ATOM 1267 O LEU A 85 45.119 7.399 13.718 1.00 4.24 O ATOM 1268 CB LEU A 85 44.518 4.638 12.146 1.00 12.40 C ATOM 1269 CG LEU A 85 44.052 5.755 11.211 1.00 65.24 C ATOM 1270 CD1 LEU A 85 45.235 6.353 10.464 1.00 75.12 C ATOM 1271 CD2 LEU A 85 43.011 5.231 10.232 1.00 12.54 C ATOM 0 H LEU A 85 44.957 3.225 14.171 1.00 32.42 H new ATOM 0 HA LEU A 85 46.406 5.371 12.868 1.00 74.41 H new ATOM 0 HB2 LEU A 85 45.027 3.881 11.550 1.00 12.40 H new ATOM 0 HB3 LEU A 85 43.638 4.163 12.579 1.00 12.40 H new ATOM 0 HG LEU A 85 43.594 6.540 11.813 1.00 65.24 H new ATOM 0 HD11 LEU A 85 44.885 7.146 9.803 1.00 75.12 H new ATOM 0 HD12 LEU A 85 45.947 6.765 11.180 1.00 75.12 H new ATOM 0 HD13 LEU A 85 45.722 5.577 9.873 1.00 75.12 H new ATOM 0 HD21 LEU A 85 42.691 6.039 9.574 1.00 12.54 H new ATOM 0 HD22 LEU A 85 43.444 4.428 9.636 1.00 12.54 H new ATOM 0 HD23 LEU A 85 42.152 4.850 10.784 1.00 12.54 H new ATOM 1283 N GLY A 86 44.023 5.944 15.039 1.00 42.25 N ATOM 1284 CA GLY A 86 43.396 6.993 15.822 1.00 64.13 C ATOM 1285 C GLY A 86 44.224 7.389 17.028 1.00 21.23 C ATOM 1286 O GLY A 86 44.624 8.545 17.162 1.00 22.24 O ATOM 0 H GLY A 86 43.780 4.995 15.322 1.00 42.25 H new ATOM 0 HA2 GLY A 86 43.237 7.868 15.191 1.00 64.13 H new ATOM 0 HA3 GLY A 86 42.414 6.657 16.154 1.00 64.13 H new ATOM 1290 N MET A 87 44.480 6.428 17.910 1.00 60.54 N ATOM 1291 CA MET A 87 45.265 6.683 19.112 1.00 62.33 C ATOM 1292 C MET A 87 44.559 7.685 20.019 1.00 4.14 C ATOM 1293 O MET A 87 45.199 8.370 20.817 1.00 33.01 O ATOM 1294 CB MET A 87 46.654 7.205 18.738 1.00 31.34 C ATOM 1295 CG MET A 87 47.788 6.322 19.234 1.00 42.34 C ATOM 1296 SD MET A 87 49.375 7.178 19.255 1.00 22.03 S ATOM 1297 CE MET A 87 50.270 6.202 20.461 1.00 31.52 C ATOM 0 H MET A 87 44.155 5.466 17.815 1.00 60.54 H new ATOM 0 HA MET A 87 45.372 5.743 19.653 1.00 62.33 H new ATOM 0 HB2 MET A 87 46.720 7.293 17.654 1.00 31.34 H new ATOM 0 HB3 MET A 87 46.779 8.207 19.147 1.00 31.34 H new ATOM 0 HG2 MET A 87 47.556 5.970 20.239 1.00 42.34 H new ATOM 0 HG3 MET A 87 47.863 5.441 18.597 1.00 42.34 H new ATOM 0 HE1 MET A 87 51.274 6.608 20.585 1.00 31.52 H new ATOM 0 HE2 MET A 87 49.745 6.233 21.416 1.00 31.52 H new ATOM 0 HE3 MET A 87 50.336 5.170 20.117 1.00 31.52 H new ATOM 1307 N GLU A 88 43.239 7.765 19.891 1.00 13.23 N ATOM 1308 CA GLU A 88 42.448 8.685 20.700 1.00 12.42 C ATOM 1309 C GLU A 88 41.273 7.963 21.353 1.00 12.55 C ATOM 1310 O GLU A 88 40.846 6.905 20.891 1.00 53.51 O ATOM 1311 CB GLU A 88 41.935 9.843 19.841 1.00 4.31 C ATOM 1312 CG GLU A 88 41.485 11.048 20.650 1.00 41.32 C ATOM 1313 CD GLU A 88 41.471 12.326 19.834 1.00 53.23 C ATOM 1314 OE1 GLU A 88 41.168 12.255 18.624 1.00 2.24 O ATOM 1315 OE2 GLU A 88 41.762 13.398 20.405 1.00 32.24 O ATOM 0 H GLU A 88 42.695 7.204 19.235 1.00 13.23 H new ATOM 0 HA GLU A 88 43.091 9.082 21.486 1.00 12.42 H new ATOM 0 HB2 GLU A 88 42.723 10.151 19.154 1.00 4.31 H new ATOM 0 HB3 GLU A 88 41.101 9.492 19.233 1.00 4.31 H new ATOM 0 HG2 GLU A 88 40.486 10.863 21.046 1.00 41.32 H new ATOM 0 HG3 GLU A 88 42.148 11.175 21.506 1.00 41.32 H new ATOM 1322 N ASP A 89 40.756 8.543 22.431 1.00 32.33 N ATOM 1323 CA ASP A 89 39.630 7.956 23.149 1.00 51.01 C ATOM 1324 C ASP A 89 38.304 8.419 22.552 1.00 25.12 C ATOM 1325 O ASP A 89 37.243 8.221 23.144 1.00 42.00 O ATOM 1326 CB ASP A 89 39.693 8.327 24.631 1.00 24.03 C ATOM 1327 CG ASP A 89 39.952 9.805 24.848 1.00 64.03 C ATOM 1328 OD1 ASP A 89 41.113 10.234 24.683 1.00 63.25 O ATOM 1329 OD2 ASP A 89 38.994 10.533 25.183 1.00 23.21 O ATOM 0 H ASP A 89 41.098 9.419 22.827 1.00 32.33 H new ATOM 0 HA ASP A 89 39.694 6.872 23.051 1.00 51.01 H new ATOM 0 HB2 ASP A 89 38.754 8.051 25.112 1.00 24.03 H new ATOM 0 HB3 ASP A 89 40.480 7.748 25.114 1.00 24.03 H new ATOM 1334 N ASP A 90 38.374 9.037 21.378 1.00 32.32 N ATOM 1335 CA ASP A 90 37.179 9.528 20.701 1.00 4.11 C ATOM 1336 C ASP A 90 36.999 8.841 19.351 1.00 51.51 C ATOM 1337 O ASP A 90 36.673 9.486 18.354 1.00 14.31 O ATOM 1338 CB ASP A 90 37.263 11.043 20.510 1.00 53.34 C ATOM 1339 CG ASP A 90 37.086 11.802 21.810 1.00 22.34 C ATOM 1340 OD1 ASP A 90 35.929 11.962 22.251 1.00 30.20 O ATOM 1341 OD2 ASP A 90 38.105 12.236 22.387 1.00 4.13 O ATOM 0 H ASP A 90 39.245 9.210 20.876 1.00 32.32 H new ATOM 0 HA ASP A 90 36.315 9.295 21.324 1.00 4.11 H new ATOM 0 HB2 ASP A 90 38.228 11.298 20.073 1.00 53.34 H new ATOM 0 HB3 ASP A 90 36.498 11.360 19.801 1.00 53.34 H new ATOM 1346 N ASP A 91 37.214 7.531 19.326 1.00 22.10 N ATOM 1347 CA ASP A 91 37.075 6.756 18.098 1.00 4.33 C ATOM 1348 C ASP A 91 35.606 6.587 17.726 1.00 52.45 C ATOM 1349 O ASP A 91 34.828 5.998 18.476 1.00 71.12 O ATOM 1350 CB ASP A 91 37.735 5.386 18.257 1.00 32.55 C ATOM 1351 CG ASP A 91 39.218 5.487 18.553 1.00 43.52 C ATOM 1352 OD1 ASP A 91 39.755 6.614 18.513 1.00 14.32 O ATOM 1353 OD2 ASP A 91 39.843 4.440 18.823 1.00 43.23 O ATOM 0 H ASP A 91 37.485 6.983 20.142 1.00 22.10 H new ATOM 0 HA ASP A 91 37.574 7.300 17.296 1.00 4.33 H new ATOM 0 HB2 ASP A 91 37.243 4.841 19.063 1.00 32.55 H new ATOM 0 HB3 ASP A 91 37.588 4.808 17.345 1.00 32.55 H new ATOM 1358 N VAL A 92 35.232 7.110 16.562 1.00 72.12 N ATOM 1359 CA VAL A 92 33.856 7.017 16.089 1.00 13.12 C ATOM 1360 C VAL A 92 33.739 6.037 14.927 1.00 15.13 C ATOM 1361 O VAL A 92 34.652 5.916 14.110 1.00 33.32 O ATOM 1362 CB VAL A 92 33.322 8.391 15.643 1.00 14.22 C ATOM 1363 CG1 VAL A 92 33.640 9.452 16.686 1.00 53.01 C ATOM 1364 CG2 VAL A 92 33.900 8.773 14.289 1.00 75.02 C ATOM 0 H VAL A 92 35.863 7.602 15.930 1.00 72.12 H new ATOM 0 HA VAL A 92 33.257 6.657 16.926 1.00 13.12 H new ATOM 0 HB VAL A 92 32.238 8.326 15.545 1.00 14.22 H new ATOM 0 HG11 VAL A 92 33.255 10.416 16.353 1.00 53.01 H new ATOM 0 HG12 VAL A 92 33.173 9.182 17.633 1.00 53.01 H new ATOM 0 HG13 VAL A 92 34.720 9.519 16.819 1.00 53.01 H new ATOM 0 HG21 VAL A 92 33.512 9.747 13.989 1.00 75.02 H new ATOM 0 HG22 VAL A 92 34.987 8.821 14.358 1.00 75.02 H new ATOM 0 HG23 VAL A 92 33.616 8.026 13.548 1.00 75.02 H new ATOM 1374 N ILE A 93 32.609 5.340 14.860 1.00 41.43 N ATOM 1375 CA ILE A 93 32.372 4.372 13.797 1.00 60.15 C ATOM 1376 C ILE A 93 30.960 4.505 13.236 1.00 1.42 C ATOM 1377 O ILE A 93 29.978 4.249 13.933 1.00 71.22 O ATOM 1378 CB ILE A 93 32.581 2.929 14.293 1.00 61.15 C ATOM 1379 CG1 ILE A 93 33.904 2.814 15.052 1.00 4.31 C ATOM 1380 CG2 ILE A 93 32.550 1.957 13.123 1.00 72.14 C ATOM 1381 CD1 ILE A 93 35.121 3.062 14.188 1.00 53.13 C ATOM 0 H ILE A 93 31.844 5.428 15.529 1.00 41.43 H new ATOM 0 HA ILE A 93 33.095 4.586 13.009 1.00 60.15 H new ATOM 0 HB ILE A 93 31.769 2.674 14.974 1.00 61.15 H new ATOM 0 HG12 ILE A 93 33.903 3.526 15.877 1.00 4.31 H new ATOM 0 HG13 ILE A 93 33.977 1.819 15.490 1.00 4.31 H new ATOM 0 HG21 ILE A 93 32.699 0.941 13.490 1.00 72.14 H new ATOM 0 HG22 ILE A 93 31.585 2.023 12.620 1.00 72.14 H new ATOM 0 HG23 ILE A 93 33.344 2.209 12.420 1.00 72.14 H new ATOM 0 HD11 ILE A 93 36.023 2.964 14.793 1.00 53.13 H new ATOM 0 HD12 ILE A 93 35.146 2.333 13.378 1.00 53.13 H new ATOM 0 HD13 ILE A 93 35.072 4.068 13.770 1.00 53.13 H new ATOM 1393 N ASP A 94 30.866 4.907 11.973 1.00 23.53 N ATOM 1394 CA ASP A 94 29.574 5.071 11.317 1.00 3.33 C ATOM 1395 C ASP A 94 29.196 3.815 10.538 1.00 2.34 C ATOM 1396 O ASP A 94 29.749 3.544 9.473 1.00 52.11 O ATOM 1397 CB ASP A 94 29.605 6.279 10.379 1.00 62.42 C ATOM 1398 CG ASP A 94 28.494 7.267 10.671 1.00 53.43 C ATOM 1399 OD1 ASP A 94 27.312 6.874 10.584 1.00 20.43 O ATOM 1400 OD2 ASP A 94 28.806 8.435 10.985 1.00 54.54 O ATOM 0 H ASP A 94 31.669 5.125 11.383 1.00 23.53 H new ATOM 0 HA ASP A 94 28.821 5.238 12.087 1.00 3.33 H new ATOM 0 HB2 ASP A 94 30.568 6.782 10.471 1.00 62.42 H new ATOM 0 HB3 ASP A 94 29.521 5.937 9.348 1.00 62.42 H new ATOM 1405 N ALA A 95 28.252 3.052 11.079 1.00 52.14 N ATOM 1406 CA ALA A 95 27.799 1.826 10.434 1.00 24.40 C ATOM 1407 C ALA A 95 26.905 2.132 9.237 1.00 20.15 C ATOM 1408 O ALA A 95 25.834 2.720 9.386 1.00 63.04 O ATOM 1409 CB ALA A 95 27.064 0.945 11.433 1.00 21.51 C ATOM 0 H ALA A 95 27.786 3.261 11.962 1.00 52.14 H new ATOM 0 HA ALA A 95 28.676 1.291 10.071 1.00 24.40 H new ATOM 0 HB1 ALA A 95 26.731 0.033 10.938 1.00 21.51 H new ATOM 0 HB2 ALA A 95 27.734 0.689 12.254 1.00 21.51 H new ATOM 0 HB3 ALA A 95 26.200 1.481 11.824 1.00 21.51 H new ATOM 1415 N MET A 96 27.352 1.730 8.052 1.00 21.12 N ATOM 1416 CA MET A 96 26.591 1.962 6.830 1.00 31.41 C ATOM 1417 C MET A 96 26.204 0.641 6.172 1.00 41.01 C ATOM 1418 O MET A 96 26.876 -0.374 6.352 1.00 24.44 O ATOM 1419 CB MET A 96 27.402 2.814 5.852 1.00 22.23 C ATOM 1420 CG MET A 96 26.875 4.231 5.699 1.00 0.35 C ATOM 1421 SD MET A 96 25.810 4.425 4.257 1.00 25.31 S ATOM 1422 CE MET A 96 24.313 5.041 5.022 1.00 73.11 C ATOM 0 H MET A 96 28.237 1.242 7.912 1.00 21.12 H new ATOM 0 HA MET A 96 25.679 2.497 7.096 1.00 31.41 H new ATOM 0 HB2 MET A 96 28.437 2.855 6.191 1.00 22.23 H new ATOM 0 HB3 MET A 96 27.405 2.329 4.876 1.00 22.23 H new ATOM 0 HG2 MET A 96 26.320 4.507 6.596 1.00 0.35 H new ATOM 0 HG3 MET A 96 27.716 4.920 5.620 1.00 0.35 H new ATOM 0 HE1 MET A 96 23.556 5.211 4.256 1.00 73.11 H new ATOM 0 HE2 MET A 96 23.944 4.309 5.741 1.00 73.11 H new ATOM 0 HE3 MET A 96 24.526 5.979 5.535 1.00 73.11 H new ATOM 1432 N VAL A 97 25.116 0.662 5.408 1.00 22.32 N ATOM 1433 CA VAL A 97 24.641 -0.534 4.723 1.00 54.14 C ATOM 1434 C VAL A 97 24.937 -0.465 3.229 1.00 75.04 C ATOM 1435 O VAL A 97 24.649 0.537 2.575 1.00 11.00 O ATOM 1436 CB VAL A 97 23.127 -0.733 4.926 1.00 30.13 C ATOM 1437 CG1 VAL A 97 22.833 -1.169 6.354 1.00 60.45 C ATOM 1438 CG2 VAL A 97 22.371 0.542 4.583 1.00 24.15 C ATOM 0 H VAL A 97 24.548 1.494 5.248 1.00 22.32 H new ATOM 0 HA VAL A 97 25.173 -1.380 5.158 1.00 54.14 H new ATOM 0 HB VAL A 97 22.788 -1.521 4.253 1.00 30.13 H new ATOM 0 HG11 VAL A 97 21.759 -1.305 6.479 1.00 60.45 H new ATOM 0 HG12 VAL A 97 23.344 -2.110 6.560 1.00 60.45 H new ATOM 0 HG13 VAL A 97 23.185 -0.405 7.047 1.00 60.45 H new ATOM 0 HG21 VAL A 97 21.303 0.383 4.732 1.00 24.15 H new ATOM 0 HG22 VAL A 97 22.711 1.352 5.229 1.00 24.15 H new ATOM 0 HG23 VAL A 97 22.557 0.806 3.542 1.00 24.15 H new