USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=11 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 Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0938 K(o=-0.094,f=-1.1) 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 142:sc= 0.147 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 CYS SG : rot -115:sc= 0.418 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= -3.23! C(o=-3.2!,f=-6.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.407 F(o=-0.96,f=-0.41) USER MOD Single : A 66 SER OG : rot -52:sc= 0.359 USER MOD Single : A 74 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 79 THR OG1 : rot -40:sc= 1.73 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -130:sc= -1.39! 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 46.648 -5.415 23.903 1.00 12.43 N ATOM 299 CA ALA A 25 46.433 -4.060 24.398 1.00 65.33 C ATOM 300 C ALA A 25 44.958 -3.811 24.693 1.00 44.30 C ATOM 301 O ALA A 25 44.083 -4.489 24.154 1.00 62.23 O ATOM 302 CB ALA A 25 46.952 -3.043 23.392 1.00 71.11 C ATOM 0 HA ALA A 25 46.986 -3.947 25.330 1.00 65.33 H new ATOM 0 HB1 ALA A 25 46.785 -2.036 23.774 1.00 71.11 H new ATOM 0 HB2 ALA A 25 48.019 -3.199 23.234 1.00 71.11 H new ATOM 0 HB3 ALA A 25 46.424 -3.165 22.446 1.00 71.11 H new ATOM 308 N LEU A 26 44.689 -2.834 25.553 1.00 60.35 N ATOM 309 CA LEU A 26 43.319 -2.495 25.920 1.00 33.34 C ATOM 310 C LEU A 26 43.007 -1.041 25.580 1.00 24.33 C ATOM 311 O LEU A 26 43.754 -0.134 25.946 1.00 1.52 O ATOM 312 CB LEU A 26 43.095 -2.741 27.414 1.00 50.14 C ATOM 313 CG LEU A 26 42.408 -4.056 27.782 1.00 74.11 C ATOM 314 CD1 LEU A 26 42.958 -4.597 29.092 1.00 34.24 C ATOM 315 CD2 LEU A 26 40.901 -3.863 27.873 1.00 72.21 C ATOM 0 H LEU A 26 45.401 -2.263 26.009 1.00 60.35 H new ATOM 0 HA LEU A 26 42.647 -3.134 25.347 1.00 33.34 H new ATOM 0 HB2 LEU A 26 44.062 -2.706 27.916 1.00 50.14 H new ATOM 0 HB3 LEU A 26 42.499 -1.919 27.812 1.00 50.14 H new ATOM 0 HG LEU A 26 42.614 -4.784 26.997 1.00 74.11 H new ATOM 0 HD11 LEU A 26 42.457 -5.533 29.338 1.00 34.24 H new ATOM 0 HD12 LEU A 26 44.029 -4.774 28.992 1.00 34.24 H new ATOM 0 HD13 LEU A 26 42.783 -3.872 29.887 1.00 34.24 H new ATOM 0 HD21 LEU A 26 40.428 -4.809 28.136 1.00 72.21 H new ATOM 0 HD22 LEU A 26 40.675 -3.120 28.638 1.00 72.21 H new ATOM 0 HD23 LEU A 26 40.519 -3.522 26.911 1.00 72.21 H new ATOM 327 N VAL A 27 41.898 -0.827 24.880 1.00 63.25 N ATOM 328 CA VAL A 27 41.486 0.517 24.493 1.00 72.31 C ATOM 329 C VAL A 27 39.993 0.722 24.726 1.00 62.21 C ATOM 330 O VAL A 27 39.177 -0.130 24.375 1.00 40.43 O ATOM 331 CB VAL A 27 41.807 0.798 23.013 1.00 54.30 C ATOM 332 CG1 VAL A 27 40.772 1.737 22.411 1.00 32.32 C ATOM 333 CG2 VAL A 27 43.207 1.375 22.872 1.00 2.13 C ATOM 0 H VAL A 27 41.269 -1.567 24.569 1.00 63.25 H new ATOM 0 HA VAL A 27 42.047 1.213 25.117 1.00 72.31 H new ATOM 0 HB VAL A 27 41.770 -0.144 22.466 1.00 54.30 H new ATOM 0 HG11 VAL A 27 41.015 1.924 21.365 1.00 32.32 H new ATOM 0 HG12 VAL A 27 39.784 1.281 22.478 1.00 32.32 H new ATOM 0 HG13 VAL A 27 40.774 2.680 22.958 1.00 32.32 H new ATOM 0 HG21 VAL A 27 43.417 1.567 21.820 1.00 2.13 H new ATOM 0 HG22 VAL A 27 43.274 2.308 23.432 1.00 2.13 H new ATOM 0 HG23 VAL A 27 43.935 0.664 23.263 1.00 2.13 H new ATOM 343 N ALA A 28 39.643 1.858 25.320 1.00 23.23 N ATOM 344 CA ALA A 28 38.248 2.177 25.598 1.00 24.51 C ATOM 345 C ALA A 28 37.624 2.959 24.448 1.00 44.14 C ATOM 346 O ALA A 28 38.234 3.884 23.910 1.00 71.32 O ATOM 347 CB ALA A 28 38.135 2.962 26.896 1.00 11.12 C ATOM 0 H ALA A 28 40.307 2.573 25.618 1.00 23.23 H new ATOM 0 HA ALA A 28 37.701 1.240 25.704 1.00 24.51 H new ATOM 0 HB1 ALA A 28 37.088 3.193 27.091 1.00 11.12 H new ATOM 0 HB2 ALA A 28 38.534 2.367 27.717 1.00 11.12 H new ATOM 0 HB3 ALA A 28 38.702 3.889 26.811 1.00 11.12 H new ATOM 353 N VAL A 29 36.406 2.582 24.074 1.00 54.31 N ATOM 354 CA VAL A 29 35.699 3.249 22.987 1.00 12.31 C ATOM 355 C VAL A 29 34.406 3.887 23.482 1.00 12.33 C ATOM 356 O VAL A 29 33.729 3.347 24.358 1.00 5.51 O ATOM 357 CB VAL A 29 35.370 2.268 21.846 1.00 41.51 C ATOM 358 CG1 VAL A 29 34.605 2.976 20.738 1.00 70.54 C ATOM 359 CG2 VAL A 29 36.643 1.635 21.306 1.00 61.44 C ATOM 0 H VAL A 29 35.888 1.818 24.508 1.00 54.31 H new ATOM 0 HA VAL A 29 36.363 4.026 22.608 1.00 12.31 H new ATOM 0 HB VAL A 29 34.736 1.474 22.242 1.00 41.51 H new ATOM 0 HG11 VAL A 29 34.381 2.268 19.940 1.00 70.54 H new ATOM 0 HG12 VAL A 29 33.674 3.378 21.138 1.00 70.54 H new ATOM 0 HG13 VAL A 29 35.211 3.790 20.341 1.00 70.54 H new ATOM 0 HG21 VAL A 29 36.393 0.945 20.501 1.00 61.44 H new ATOM 0 HG22 VAL A 29 37.303 2.414 20.924 1.00 61.44 H new ATOM 0 HG23 VAL A 29 37.147 1.092 22.106 1.00 61.44 H new ATOM 369 N LYS A 30 34.067 5.040 22.916 1.00 54.24 N ATOM 370 CA LYS A 30 32.853 5.753 23.297 1.00 2.01 C ATOM 371 C LYS A 30 32.060 6.176 22.065 1.00 62.34 C ATOM 372 O LYS A 30 32.481 7.058 21.316 1.00 73.22 O ATOM 373 CB LYS A 30 33.203 6.983 24.138 1.00 34.23 C ATOM 374 CG LYS A 30 31.988 7.693 24.712 1.00 62.44 C ATOM 375 CD LYS A 30 32.332 8.442 25.988 1.00 54.41 C ATOM 376 CE LYS A 30 33.130 9.704 25.696 1.00 73.33 C ATOM 377 NZ LYS A 30 34.341 9.805 26.556 1.00 11.51 N ATOM 0 H LYS A 30 34.616 5.501 22.191 1.00 54.24 H new ATOM 0 HA LYS A 30 32.236 5.078 23.890 1.00 2.01 H new ATOM 0 HB2 LYS A 30 33.856 6.680 24.956 1.00 34.23 H new ATOM 0 HB3 LYS A 30 33.767 7.685 23.523 1.00 34.23 H new ATOM 0 HG2 LYS A 30 31.591 8.391 23.975 1.00 62.44 H new ATOM 0 HG3 LYS A 30 31.203 6.965 24.917 1.00 62.44 H new ATOM 0 HD2 LYS A 30 31.415 8.704 26.516 1.00 54.41 H new ATOM 0 HD3 LYS A 30 32.906 7.792 26.649 1.00 54.41 H new ATOM 0 HE2 LYS A 30 33.427 9.711 24.647 1.00 73.33 H new ATOM 0 HE3 LYS A 30 32.498 10.578 25.854 1.00 73.33 H new ATOM 0 HZ1 LYS A 30 34.858 10.678 26.327 1.00 11.51 H new ATOM 0 HZ2 LYS A 30 34.056 9.824 27.556 1.00 11.51 H new ATOM 0 HZ3 LYS A 30 34.956 8.984 26.387 1.00 11.51 H new ATOM 391 N VAL A 31 30.910 5.542 21.860 1.00 31.43 N ATOM 392 CA VAL A 31 30.057 5.854 20.720 1.00 33.10 C ATOM 393 C VAL A 31 28.957 6.836 21.109 1.00 63.12 C ATOM 394 O VAL A 31 28.168 6.574 22.016 1.00 20.44 O ATOM 395 CB VAL A 31 29.412 4.583 20.137 1.00 74.41 C ATOM 396 CG1 VAL A 31 28.653 3.826 21.216 1.00 33.51 C ATOM 397 CG2 VAL A 31 28.494 4.936 18.976 1.00 32.22 C ATOM 0 H VAL A 31 30.548 4.809 22.469 1.00 31.43 H new ATOM 0 HA VAL A 31 30.695 6.309 19.963 1.00 33.10 H new ATOM 0 HB VAL A 31 30.203 3.935 19.761 1.00 74.41 H new ATOM 0 HG11 VAL A 31 28.204 2.931 20.785 1.00 33.51 H new ATOM 0 HG12 VAL A 31 29.341 3.540 22.012 1.00 33.51 H new ATOM 0 HG13 VAL A 31 27.870 4.464 21.625 1.00 33.51 H new ATOM 0 HG21 VAL A 31 28.047 4.026 18.576 1.00 32.22 H new ATOM 0 HG22 VAL A 31 27.707 5.604 19.325 1.00 32.22 H new ATOM 0 HG23 VAL A 31 29.070 5.431 18.194 1.00 32.22 H new ATOM 407 N VAL A 32 28.911 7.969 20.415 1.00 1.03 N ATOM 408 CA VAL A 32 27.907 8.991 20.686 1.00 21.15 C ATOM 409 C VAL A 32 27.005 9.209 19.477 1.00 13.33 C ATOM 410 O VAL A 32 27.428 9.038 18.335 1.00 21.51 O ATOM 411 CB VAL A 32 28.561 10.331 21.074 1.00 35.32 C ATOM 412 CG1 VAL A 32 29.501 10.144 22.255 1.00 44.32 C ATOM 413 CG2 VAL A 32 29.297 10.928 19.884 1.00 14.15 C ATOM 0 H VAL A 32 29.557 8.202 19.661 1.00 1.03 H new ATOM 0 HA VAL A 32 27.307 8.632 21.523 1.00 21.15 H new ATOM 0 HB VAL A 32 27.776 11.026 21.372 1.00 35.32 H new ATOM 0 HG11 VAL A 32 29.954 11.101 22.515 1.00 44.32 H new ATOM 0 HG12 VAL A 32 28.941 9.764 23.109 1.00 44.32 H new ATOM 0 HG13 VAL A 32 30.283 9.433 21.988 1.00 44.32 H new ATOM 0 HG21 VAL A 32 29.753 11.874 20.176 1.00 14.15 H new ATOM 0 HG22 VAL A 32 30.073 10.238 19.553 1.00 14.15 H new ATOM 0 HG23 VAL A 32 28.593 11.100 19.070 1.00 14.15 H new ATOM 423 N ASN A 33 25.758 9.590 19.737 1.00 20.23 N ATOM 424 CA ASN A 33 24.794 9.832 18.670 1.00 65.04 C ATOM 425 C ASN A 33 24.238 11.250 18.750 1.00 4.43 C ATOM 426 O ASN A 33 24.188 11.848 19.825 1.00 74.11 O ATOM 427 CB ASN A 33 23.651 8.819 18.747 1.00 73.40 C ATOM 428 CG ASN A 33 22.793 8.818 17.496 1.00 25.20 C ATOM 429 OD1 ASN A 33 23.283 9.067 16.394 1.00 1.44 O ATOM 430 ND2 ASN A 33 21.506 8.537 17.661 1.00 22.43 N ATOM 0 H ASN A 33 25.392 9.738 20.677 1.00 20.23 H new ATOM 0 HA ASN A 33 25.309 9.716 17.716 1.00 65.04 H new ATOM 0 HB2 ASN A 33 24.063 7.822 18.902 1.00 73.40 H new ATOM 0 HB3 ASN A 33 23.027 9.044 19.612 1.00 73.40 H new ATOM 0 HD21 ASN A 33 20.880 8.521 16.856 1.00 22.43 H new ATOM 0 HD22 ASN A 33 21.143 8.337 18.593 1.00 22.43 H new ATOM 437 N ALA A 34 23.822 11.783 17.606 1.00 71.20 N ATOM 438 CA ALA A 34 23.267 13.129 17.547 1.00 0.32 C ATOM 439 C ALA A 34 21.960 13.219 18.328 1.00 5.33 C ATOM 440 O ALA A 34 21.570 14.295 18.782 1.00 5.14 O ATOM 441 CB ALA A 34 23.049 13.548 16.101 1.00 63.34 C ATOM 0 H ALA A 34 23.859 11.303 16.707 1.00 71.20 H new ATOM 0 HA ALA A 34 23.983 13.810 18.007 1.00 0.32 H new ATOM 0 HB1 ALA A 34 22.634 14.556 16.073 1.00 63.34 H new ATOM 0 HB2 ALA A 34 24.001 13.533 15.570 1.00 63.34 H new ATOM 0 HB3 ALA A 34 22.356 12.856 15.622 1.00 63.34 H new ATOM 447 N ASP A 35 21.288 12.084 18.480 1.00 22.33 N ATOM 448 CA ASP A 35 20.025 12.034 19.207 1.00 11.41 C ATOM 449 C ASP A 35 20.265 12.015 20.713 1.00 1.35 C ATOM 450 O ASP A 35 19.407 12.424 21.494 1.00 33.24 O ATOM 451 CB ASP A 35 19.220 10.802 18.791 1.00 41.23 C ATOM 452 CG ASP A 35 17.759 10.907 19.180 1.00 75.25 C ATOM 453 OD1 ASP A 35 17.263 12.044 19.326 1.00 1.01 O ATOM 454 OD2 ASP A 35 17.110 9.852 19.336 1.00 32.44 O ATOM 0 H ASP A 35 21.597 11.185 18.109 1.00 22.33 H new ATOM 0 HA ASP A 35 19.456 12.930 18.959 1.00 11.41 H new ATOM 0 HB2 ASP A 35 19.297 10.669 17.712 1.00 41.23 H new ATOM 0 HB3 ASP A 35 19.653 9.915 19.254 1.00 41.23 H new ATOM 459 N GLY A 36 21.439 11.536 21.115 1.00 51.43 N ATOM 460 CA GLY A 36 21.770 11.472 22.526 1.00 24.40 C ATOM 461 C GLY A 36 22.276 10.104 22.941 1.00 74.13 C ATOM 462 O GLY A 36 23.168 9.993 23.781 1.00 42.14 O ATOM 0 H GLY A 36 22.166 11.191 20.488 1.00 51.43 H new ATOM 0 HA2 GLY A 36 22.529 12.221 22.752 1.00 24.40 H new ATOM 0 HA3 GLY A 36 20.888 11.724 23.115 1.00 24.40 H new ATOM 466 N ALA A 37 21.703 9.059 22.352 1.00 55.53 N ATOM 467 CA ALA A 37 22.101 7.693 22.665 1.00 75.44 C ATOM 468 C ALA A 37 23.611 7.520 22.545 1.00 31.35 C ATOM 469 O ALA A 37 24.189 7.749 21.484 1.00 53.24 O ATOM 470 CB ALA A 37 21.381 6.711 21.751 1.00 43.30 C ATOM 0 H ALA A 37 20.962 9.133 21.655 1.00 55.53 H new ATOM 0 HA ALA A 37 21.819 7.486 23.697 1.00 75.44 H new ATOM 0 HB1 ALA A 37 21.688 5.694 21.996 1.00 43.30 H new ATOM 0 HB2 ALA A 37 20.304 6.808 21.889 1.00 43.30 H new ATOM 0 HB3 ALA A 37 21.635 6.927 20.713 1.00 43.30 H new ATOM 476 N GLU A 38 24.244 7.114 23.642 1.00 51.50 N ATOM 477 CA GLU A 38 25.688 6.913 23.659 1.00 30.21 C ATOM 478 C GLU A 38 26.082 5.894 24.724 1.00 24.41 C ATOM 479 O GLU A 38 25.333 5.645 25.668 1.00 73.33 O ATOM 480 CB GLU A 38 26.407 8.239 23.915 1.00 24.22 C ATOM 481 CG GLU A 38 26.198 8.784 25.318 1.00 71.10 C ATOM 482 CD GLU A 38 26.160 10.299 25.355 1.00 13.33 C ATOM 483 OE1 GLU A 38 27.236 10.922 25.237 1.00 53.32 O ATOM 484 OE2 GLU A 38 25.055 10.862 25.503 1.00 11.10 O ATOM 0 H GLU A 38 23.780 6.918 24.529 1.00 51.50 H new ATOM 0 HA GLU A 38 25.987 6.529 22.684 1.00 30.21 H new ATOM 0 HB2 GLU A 38 27.475 8.103 23.743 1.00 24.22 H new ATOM 0 HB3 GLU A 38 26.059 8.977 23.192 1.00 24.22 H new ATOM 0 HG2 GLU A 38 25.265 8.391 25.721 1.00 71.10 H new ATOM 0 HG3 GLU A 38 27.000 8.428 25.965 1.00 71.10 H new ATOM 491 N MET A 39 27.264 5.307 24.564 1.00 22.04 N ATOM 492 CA MET A 39 27.759 4.315 25.512 1.00 11.11 C ATOM 493 C MET A 39 29.252 4.071 25.314 1.00 14.22 C ATOM 494 O MET A 39 29.765 4.172 24.200 1.00 73.15 O ATOM 495 CB MET A 39 26.990 3.001 25.356 1.00 5.50 C ATOM 496 CG MET A 39 27.427 2.181 24.153 1.00 40.41 C ATOM 497 SD MET A 39 28.348 0.703 24.618 1.00 64.24 S ATOM 498 CE MET A 39 27.563 -0.526 23.578 1.00 61.21 C ATOM 0 H MET A 39 27.896 5.501 23.787 1.00 22.04 H new ATOM 0 HA MET A 39 27.603 4.702 26.519 1.00 11.11 H new ATOM 0 HB2 MET A 39 27.120 2.404 26.259 1.00 5.50 H new ATOM 0 HB3 MET A 39 25.926 3.220 25.269 1.00 5.50 H new ATOM 0 HG2 MET A 39 26.548 1.891 23.577 1.00 40.41 H new ATOM 0 HG3 MET A 39 28.045 2.799 23.502 1.00 40.41 H new ATOM 0 HE1 MET A 39 28.025 -1.498 23.751 1.00 61.21 H new ATOM 0 HE2 MET A 39 26.501 -0.581 23.818 1.00 61.21 H new ATOM 0 HE3 MET A 39 27.685 -0.248 22.531 1.00 61.21 H new ATOM 508 N PHE A 40 29.944 3.750 26.402 1.00 14.44 N ATOM 509 CA PHE A 40 31.378 3.493 26.348 1.00 0.40 C ATOM 510 C PHE A 40 31.717 2.159 27.007 1.00 51.34 C ATOM 511 O PHE A 40 31.038 1.723 27.936 1.00 74.30 O ATOM 512 CB PHE A 40 32.147 4.624 27.035 1.00 14.01 C ATOM 513 CG PHE A 40 32.012 4.618 28.531 1.00 34.10 C ATOM 514 CD1 PHE A 40 30.931 5.231 29.145 1.00 44.41 C ATOM 515 CD2 PHE A 40 32.964 3.998 29.323 1.00 5.23 C ATOM 516 CE1 PHE A 40 30.805 5.228 30.521 1.00 24.22 C ATOM 517 CE2 PHE A 40 32.844 3.991 30.700 1.00 15.13 C ATOM 518 CZ PHE A 40 31.762 4.606 31.300 1.00 71.22 C ATOM 0 H PHE A 40 29.535 3.662 27.332 1.00 14.44 H new ATOM 0 HA PHE A 40 31.674 3.446 25.300 1.00 0.40 H new ATOM 0 HB2 PHE A 40 33.202 4.547 26.773 1.00 14.01 H new ATOM 0 HB3 PHE A 40 31.792 5.580 26.650 1.00 14.01 H new ATOM 0 HD1 PHE A 40 30.179 5.716 28.541 1.00 44.41 H new ATOM 0 HD2 PHE A 40 33.811 3.514 28.859 1.00 5.23 H new ATOM 0 HE1 PHE A 40 29.959 5.711 30.987 1.00 24.22 H new ATOM 0 HE2 PHE A 40 33.595 3.506 31.306 1.00 15.13 H new ATOM 0 HZ PHE A 40 31.664 4.601 32.376 1.00 71.22 H new ATOM 528 N PHE A 41 32.772 1.516 26.518 1.00 40.12 N ATOM 529 CA PHE A 41 33.201 0.231 27.057 1.00 62.11 C ATOM 530 C PHE A 41 34.660 -0.046 26.706 1.00 3.15 C ATOM 531 O PHE A 41 35.159 0.407 25.676 1.00 71.21 O ATOM 532 CB PHE A 41 32.314 -0.894 26.519 1.00 14.44 C ATOM 533 CG PHE A 41 31.616 -1.674 27.597 1.00 44.11 C ATOM 534 CD1 PHE A 41 32.299 -2.633 28.328 1.00 73.45 C ATOM 535 CD2 PHE A 41 30.279 -1.448 27.880 1.00 41.35 C ATOM 536 CE1 PHE A 41 31.659 -3.353 29.319 1.00 62.31 C ATOM 537 CE2 PHE A 41 29.634 -2.164 28.870 1.00 23.32 C ATOM 538 CZ PHE A 41 30.326 -3.118 29.591 1.00 12.35 C ATOM 0 H PHE A 41 33.346 1.864 25.750 1.00 40.12 H new ATOM 0 HA PHE A 41 33.107 0.271 28.142 1.00 62.11 H new ATOM 0 HB2 PHE A 41 31.568 -0.468 25.848 1.00 14.44 H new ATOM 0 HB3 PHE A 41 32.924 -1.575 25.926 1.00 14.44 H new ATOM 0 HD1 PHE A 41 33.342 -2.820 28.121 1.00 73.45 H new ATOM 0 HD2 PHE A 41 29.734 -0.703 27.320 1.00 41.35 H new ATOM 0 HE1 PHE A 41 32.201 -4.099 29.880 1.00 62.31 H new ATOM 0 HE2 PHE A 41 28.591 -1.978 29.080 1.00 23.32 H new ATOM 0 HZ PHE A 41 29.825 -3.679 30.366 1.00 12.35 H new ATOM 548 N ARG A 42 35.339 -0.792 27.572 1.00 41.01 N ATOM 549 CA ARG A 42 36.741 -1.128 27.356 1.00 62.14 C ATOM 550 C ARG A 42 36.874 -2.451 26.606 1.00 11.35 C ATOM 551 O ARG A 42 36.334 -3.473 27.031 1.00 12.31 O ATOM 552 CB ARG A 42 37.480 -1.211 28.693 1.00 51.43 C ATOM 553 CG ARG A 42 38.798 -0.454 28.708 1.00 12.51 C ATOM 554 CD ARG A 42 38.942 0.389 29.966 1.00 55.12 C ATOM 555 NE ARG A 42 40.241 1.051 30.035 1.00 4.24 N ATOM 556 CZ ARG A 42 41.356 0.444 30.428 1.00 75.51 C ATOM 557 NH1 ARG A 42 41.328 -0.833 30.784 1.00 61.44 N ATOM 558 NH2 ARG A 42 42.500 1.113 30.465 1.00 44.43 N ATOM 0 H ARG A 42 34.941 -1.175 28.429 1.00 41.01 H new ATOM 0 HA ARG A 42 37.188 -0.340 26.750 1.00 62.14 H new ATOM 0 HB2 ARG A 42 36.836 -0.818 29.480 1.00 51.43 H new ATOM 0 HB3 ARG A 42 37.669 -2.258 28.930 1.00 51.43 H new ATOM 0 HG2 ARG A 42 39.625 -1.161 28.646 1.00 12.51 H new ATOM 0 HG3 ARG A 42 38.860 0.188 27.829 1.00 12.51 H new ATOM 0 HD2 ARG A 42 38.151 1.139 29.992 1.00 55.12 H new ATOM 0 HD3 ARG A 42 38.811 -0.244 30.844 1.00 55.12 H new ATOM 0 HE ARG A 42 40.296 2.034 29.767 1.00 4.24 H new ATOM 0 HH11 ARG A 42 40.450 -1.351 30.756 1.00 61.44 H new ATOM 0 HH12 ARG A 42 42.185 -1.297 31.085 1.00 61.44 H new ATOM 0 HH21 ARG A 42 42.525 2.095 30.192 1.00 44.43 H new ATOM 0 HH22 ARG A 42 43.355 0.645 30.767 1.00 44.43 H new ATOM 572 N ILE A 43 37.595 -2.423 25.491 1.00 51.02 N ATOM 573 CA ILE A 43 37.799 -3.619 24.683 1.00 34.45 C ATOM 574 C ILE A 43 39.176 -3.613 24.030 1.00 62.53 C ATOM 575 O ILE A 43 39.749 -2.555 23.771 1.00 53.40 O ATOM 576 CB ILE A 43 36.724 -3.749 23.588 1.00 34.33 C ATOM 577 CG1 ILE A 43 35.330 -3.542 24.184 1.00 13.12 C ATOM 578 CG2 ILE A 43 36.819 -5.108 22.911 1.00 61.21 C ATOM 579 CD1 ILE A 43 34.221 -3.579 23.156 1.00 61.23 C ATOM 0 H ILE A 43 38.048 -1.585 25.126 1.00 51.02 H new ATOM 0 HA ILE A 43 37.723 -4.472 25.358 1.00 34.45 H new ATOM 0 HB ILE A 43 36.896 -2.978 22.837 1.00 34.33 H new ATOM 0 HG12 ILE A 43 35.146 -4.312 24.933 1.00 13.12 H new ATOM 0 HG13 ILE A 43 35.304 -2.583 24.701 1.00 13.12 H new ATOM 0 HG21 ILE A 43 36.053 -5.185 22.140 1.00 61.21 H new ATOM 0 HG22 ILE A 43 37.804 -5.220 22.457 1.00 61.21 H new ATOM 0 HG23 ILE A 43 36.669 -5.894 23.651 1.00 61.21 H new ATOM 0 HD11 ILE A 43 33.262 -3.425 23.650 1.00 61.23 H new ATOM 0 HD12 ILE A 43 34.381 -2.791 22.420 1.00 61.23 H new ATOM 0 HD13 ILE A 43 34.221 -4.548 22.656 1.00 61.23 H new ATOM 591 N LYS A 44 39.703 -4.804 23.763 1.00 45.51 N ATOM 592 CA LYS A 44 41.013 -4.938 23.136 1.00 40.51 C ATOM 593 C LYS A 44 41.081 -4.134 21.841 1.00 70.41 C ATOM 594 O LYS A 44 40.171 -4.194 21.014 1.00 41.00 O ATOM 595 CB LYS A 44 41.317 -6.410 22.852 1.00 71.34 C ATOM 596 CG LYS A 44 42.747 -6.661 22.404 1.00 15.10 C ATOM 597 CD LYS A 44 43.571 -7.305 23.506 1.00 1.41 C ATOM 598 CE LYS A 44 43.081 -8.710 23.821 1.00 14.50 C ATOM 599 NZ LYS A 44 44.046 -9.456 24.674 1.00 2.14 N ATOM 0 H LYS A 44 39.243 -5.690 23.971 1.00 45.51 H new ATOM 0 HA LYS A 44 41.760 -4.546 23.826 1.00 40.51 H new ATOM 0 HB2 LYS A 44 41.119 -6.993 23.751 1.00 71.34 H new ATOM 0 HB3 LYS A 44 40.635 -6.771 22.082 1.00 71.34 H new ATOM 0 HG2 LYS A 44 42.746 -7.306 21.525 1.00 15.10 H new ATOM 0 HG3 LYS A 44 43.207 -5.718 22.108 1.00 15.10 H new ATOM 0 HD2 LYS A 44 44.618 -7.343 23.204 1.00 1.41 H new ATOM 0 HD3 LYS A 44 43.521 -6.691 24.405 1.00 1.41 H new ATOM 0 HE2 LYS A 44 42.117 -8.653 24.327 1.00 14.50 H new ATOM 0 HE3 LYS A 44 42.921 -9.256 22.891 1.00 14.50 H new ATOM 0 HZ1 LYS A 44 43.675 -10.409 24.866 1.00 2.14 H new ATOM 0 HZ2 LYS A 44 44.958 -9.532 24.181 1.00 2.14 H new ATOM 0 HZ3 LYS A 44 44.180 -8.949 25.572 1.00 2.14 H new ATOM 613 N SER A 45 42.166 -3.385 21.671 1.00 55.12 N ATOM 614 CA SER A 45 42.351 -2.568 20.477 1.00 32.21 C ATOM 615 C SER A 45 42.225 -3.415 19.214 1.00 23.24 C ATOM 616 O SER A 45 41.792 -2.930 18.169 1.00 32.41 O ATOM 617 CB SER A 45 43.717 -1.881 20.510 1.00 24.34 C ATOM 618 OG SER A 45 44.706 -2.683 19.888 1.00 43.11 O ATOM 0 H SER A 45 42.930 -3.327 22.344 1.00 55.12 H new ATOM 0 HA SER A 45 41.570 -1.808 20.463 1.00 32.21 H new ATOM 0 HB2 SER A 45 43.655 -0.917 20.005 1.00 24.34 H new ATOM 0 HB3 SER A 45 44.003 -1.682 21.543 1.00 24.34 H new ATOM 0 HG SER A 45 45.326 -2.110 19.390 1.00 43.11 H new ATOM 624 N ARG A 46 42.608 -4.684 19.320 1.00 40.50 N ATOM 625 CA ARG A 46 42.540 -5.599 18.187 1.00 0.22 C ATOM 626 C ARG A 46 41.118 -5.682 17.640 1.00 30.43 C ATOM 627 O ARG A 46 40.907 -6.039 16.481 1.00 55.24 O ATOM 628 CB ARG A 46 43.022 -6.991 18.599 1.00 11.05 C ATOM 629 CG ARG A 46 44.242 -7.466 17.828 1.00 24.23 C ATOM 630 CD ARG A 46 44.000 -7.435 16.327 1.00 32.44 C ATOM 631 NE ARG A 46 45.012 -8.190 15.594 1.00 62.13 N ATOM 632 CZ ARG A 46 46.253 -7.759 15.399 1.00 4.45 C ATOM 633 NH1 ARG A 46 46.633 -6.584 15.883 1.00 45.25 N ATOM 634 NH2 ARG A 46 47.117 -8.503 14.721 1.00 4.13 N ATOM 0 H ARG A 46 42.968 -5.101 20.178 1.00 40.50 H new ATOM 0 HA ARG A 46 43.191 -5.215 17.402 1.00 0.22 H new ATOM 0 HB2 ARG A 46 43.255 -6.985 19.664 1.00 11.05 H new ATOM 0 HB3 ARG A 46 42.211 -7.705 18.454 1.00 11.05 H new ATOM 0 HG2 ARG A 46 45.097 -6.835 18.073 1.00 24.23 H new ATOM 0 HG3 ARG A 46 44.496 -8.480 18.136 1.00 24.23 H new ATOM 0 HD2 ARG A 46 43.014 -7.846 16.110 1.00 32.44 H new ATOM 0 HD3 ARG A 46 43.998 -6.401 15.981 1.00 32.44 H new ATOM 0 HE ARG A 46 44.752 -9.099 15.211 1.00 62.13 H new ATOM 0 HH11 ARG A 46 45.972 -6.010 16.406 1.00 45.25 H new ATOM 0 HH12 ARG A 46 47.587 -6.255 15.732 1.00 45.25 H new ATOM 0 HH21 ARG A 46 46.829 -9.408 14.348 1.00 4.13 H new ATOM 0 HH22 ARG A 46 48.070 -8.170 14.572 1.00 4.13 H new ATOM 648 N THR A 47 40.145 -5.352 18.483 1.00 13.25 N ATOM 649 CA THR A 47 38.743 -5.391 18.086 1.00 41.10 C ATOM 650 C THR A 47 37.871 -4.616 19.068 1.00 63.24 C ATOM 651 O THR A 47 37.453 -5.149 20.095 1.00 5.23 O ATOM 652 CB THR A 47 38.226 -6.839 17.990 1.00 4.23 C ATOM 653 OG1 THR A 47 39.194 -7.741 18.538 1.00 33.34 O ATOM 654 CG2 THR A 47 37.936 -7.215 16.545 1.00 33.34 C ATOM 0 H THR A 47 40.302 -5.054 19.446 1.00 13.25 H new ATOM 0 HA THR A 47 38.680 -4.925 17.103 1.00 41.10 H new ATOM 0 HB THR A 47 37.300 -6.910 18.560 1.00 4.23 H new ATOM 0 HG1 THR A 47 38.858 -8.659 18.475 1.00 33.34 H new ATOM 0 HG21 THR A 47 37.572 -8.242 16.502 1.00 33.34 H new ATOM 0 HG22 THR A 47 37.178 -6.544 16.140 1.00 33.34 H new ATOM 0 HG23 THR A 47 38.849 -7.129 15.956 1.00 33.34 H new ATOM 662 N ALA A 48 37.600 -3.356 18.744 1.00 60.11 N ATOM 663 CA ALA A 48 36.775 -2.509 19.596 1.00 3.05 C ATOM 664 C ALA A 48 35.656 -1.850 18.798 1.00 73.44 C ATOM 665 O ALA A 48 34.480 -1.963 19.147 1.00 20.45 O ATOM 666 CB ALA A 48 37.632 -1.452 20.278 1.00 61.32 C ATOM 0 H ALA A 48 37.940 -2.899 17.898 1.00 60.11 H new ATOM 0 HA ALA A 48 36.318 -3.140 20.359 1.00 3.05 H new ATOM 0 HB1 ALA A 48 37.003 -0.826 20.911 1.00 61.32 H new ATOM 0 HB2 ALA A 48 38.392 -1.939 20.889 1.00 61.32 H new ATOM 0 HB3 ALA A 48 38.116 -0.833 19.523 1.00 61.32 H new ATOM 672 N LEU A 49 36.027 -1.162 17.724 1.00 23.10 N ATOM 673 CA LEU A 49 35.054 -0.484 16.875 1.00 32.10 C ATOM 674 C LEU A 49 34.151 -1.491 16.170 1.00 31.42 C ATOM 675 O LEU A 49 32.993 -1.200 15.869 1.00 43.12 O ATOM 676 CB LEU A 49 35.769 0.388 15.841 1.00 32.23 C ATOM 677 CG LEU A 49 35.362 1.862 15.810 1.00 24.50 C ATOM 678 CD1 LEU A 49 33.848 1.997 15.797 1.00 52.41 C ATOM 679 CD2 LEU A 49 35.956 2.604 16.998 1.00 21.24 C ATOM 0 H LEU A 49 36.995 -1.059 17.420 1.00 23.10 H new ATOM 0 HA LEU A 49 34.435 0.150 17.510 1.00 32.10 H new ATOM 0 HB2 LEU A 49 36.842 0.332 16.027 1.00 32.23 H new ATOM 0 HB3 LEU A 49 35.594 -0.038 14.853 1.00 32.23 H new ATOM 0 HG LEU A 49 35.754 2.309 14.896 1.00 24.50 H new ATOM 0 HD11 LEU A 49 33.577 3.053 15.775 1.00 52.41 H new ATOM 0 HD12 LEU A 49 33.446 1.501 14.914 1.00 52.41 H new ATOM 0 HD13 LEU A 49 33.434 1.535 16.693 1.00 52.41 H new ATOM 0 HD21 LEU A 49 35.656 3.651 16.960 1.00 21.24 H new ATOM 0 HD22 LEU A 49 35.595 2.157 17.924 1.00 21.24 H new ATOM 0 HD23 LEU A 49 37.043 2.536 16.962 1.00 21.24 H new ATOM 691 N LYS A 50 34.687 -2.679 15.912 1.00 63.33 N ATOM 692 CA LYS A 50 33.930 -3.733 15.246 1.00 43.53 C ATOM 693 C LYS A 50 32.770 -4.203 16.117 1.00 1.12 C ATOM 694 O LYS A 50 31.626 -4.264 15.666 1.00 0.22 O ATOM 695 CB LYS A 50 34.844 -4.914 14.914 1.00 64.11 C ATOM 696 CG LYS A 50 35.917 -4.584 13.891 1.00 65.33 C ATOM 697 CD LYS A 50 35.326 -4.395 12.504 1.00 42.11 C ATOM 698 CE LYS A 50 35.260 -5.709 11.742 1.00 64.53 C ATOM 699 NZ LYS A 50 36.116 -5.687 10.523 1.00 75.33 N ATOM 0 H LYS A 50 35.644 -2.936 16.154 1.00 63.33 H new ATOM 0 HA LYS A 50 33.524 -3.325 14.320 1.00 43.53 H new ATOM 0 HB2 LYS A 50 35.322 -5.262 15.830 1.00 64.11 H new ATOM 0 HB3 LYS A 50 34.237 -5.738 14.539 1.00 64.11 H new ATOM 0 HG2 LYS A 50 36.440 -3.676 14.191 1.00 65.33 H new ATOM 0 HG3 LYS A 50 36.656 -5.385 13.866 1.00 65.33 H new ATOM 0 HD2 LYS A 50 34.325 -3.972 12.589 1.00 42.11 H new ATOM 0 HD3 LYS A 50 35.929 -3.679 11.945 1.00 42.11 H new ATOM 0 HE2 LYS A 50 35.577 -6.523 12.394 1.00 64.53 H new ATOM 0 HE3 LYS A 50 34.228 -5.912 11.457 1.00 64.53 H new ATOM 0 HZ1 LYS A 50 36.044 -6.601 10.031 1.00 75.33 H new ATOM 0 HZ2 LYS A 50 35.798 -4.927 9.889 1.00 75.33 H new ATOM 0 HZ3 LYS A 50 37.105 -5.518 10.796 1.00 75.33 H new ATOM 713 N LYS A 51 33.072 -4.533 17.368 1.00 31.42 N ATOM 714 CA LYS A 51 32.054 -4.996 18.305 1.00 44.43 C ATOM 715 C LYS A 51 31.153 -3.845 18.740 1.00 74.00 C ATOM 716 O LYS A 51 29.983 -4.049 19.067 1.00 33.12 O ATOM 717 CB LYS A 51 32.712 -5.634 19.530 1.00 1.13 C ATOM 718 CG LYS A 51 31.749 -6.434 20.390 1.00 60.43 C ATOM 719 CD LYS A 51 31.542 -7.835 19.838 1.00 14.02 C ATOM 720 CE LYS A 51 32.133 -8.890 20.760 1.00 64.31 C ATOM 721 NZ LYS A 51 33.593 -9.072 20.529 1.00 24.15 N ATOM 0 H LYS A 51 34.014 -4.489 17.757 1.00 31.42 H new ATOM 0 HA LYS A 51 31.442 -5.743 17.799 1.00 44.43 H new ATOM 0 HB2 LYS A 51 33.519 -6.287 19.199 1.00 1.13 H new ATOM 0 HB3 LYS A 51 33.164 -4.851 20.138 1.00 1.13 H new ATOM 0 HG2 LYS A 51 32.134 -6.496 21.408 1.00 60.43 H new ATOM 0 HG3 LYS A 51 30.791 -5.917 20.442 1.00 60.43 H new ATOM 0 HD2 LYS A 51 30.476 -8.021 19.706 1.00 14.02 H new ATOM 0 HD3 LYS A 51 32.003 -7.911 18.853 1.00 14.02 H new ATOM 0 HE2 LYS A 51 31.962 -8.603 21.797 1.00 64.31 H new ATOM 0 HE3 LYS A 51 31.619 -9.838 20.603 1.00 64.31 H new ATOM 0 HZ1 LYS A 51 33.959 -9.799 21.176 1.00 24.15 H new ATOM 0 HZ2 LYS A 51 33.754 -9.371 19.546 1.00 24.15 H new ATOM 0 HZ3 LYS A 51 34.087 -8.173 20.703 1.00 24.15 H new ATOM 735 N LEU A 52 31.703 -2.636 18.740 1.00 13.14 N ATOM 736 CA LEU A 52 30.947 -1.452 19.134 1.00 41.31 C ATOM 737 C LEU A 52 29.844 -1.150 18.125 1.00 12.50 C ATOM 738 O LEU A 52 28.679 -0.996 18.492 1.00 14.14 O ATOM 739 CB LEU A 52 31.880 -0.246 19.262 1.00 24.54 C ATOM 740 CG LEU A 52 32.262 0.158 20.687 1.00 41.02 C ATOM 741 CD1 LEU A 52 31.077 0.793 21.397 1.00 52.30 C ATOM 742 CD2 LEU A 52 32.770 -1.047 21.465 1.00 14.25 C ATOM 0 H LEU A 52 32.669 -2.450 18.472 1.00 13.14 H new ATOM 0 HA LEU A 52 30.485 -1.651 20.101 1.00 41.31 H new ATOM 0 HB2 LEU A 52 32.795 -0.459 18.708 1.00 24.54 H new ATOM 0 HB3 LEU A 52 31.406 0.608 18.778 1.00 24.54 H new ATOM 0 HG LEU A 52 33.064 0.894 20.633 1.00 41.02 H new ATOM 0 HD11 LEU A 52 31.367 1.074 22.409 1.00 52.30 H new ATOM 0 HD12 LEU A 52 30.759 1.681 20.851 1.00 52.30 H new ATOM 0 HD13 LEU A 52 30.254 0.080 21.440 1.00 52.30 H new ATOM 0 HD21 LEU A 52 33.037 -0.741 22.476 1.00 14.25 H new ATOM 0 HD22 LEU A 52 31.989 -1.806 21.510 1.00 14.25 H new ATOM 0 HD23 LEU A 52 33.648 -1.458 20.967 1.00 14.25 H new ATOM 754 N ILE A 53 30.219 -1.068 16.853 1.00 54.11 N ATOM 755 CA ILE A 53 29.260 -0.788 15.791 1.00 2.21 C ATOM 756 C ILE A 53 28.359 -1.991 15.532 1.00 2.54 C ATOM 757 O ILE A 53 27.196 -1.839 15.159 1.00 12.23 O ATOM 758 CB ILE A 53 29.970 -0.401 14.480 1.00 14.41 C ATOM 759 CG1 ILE A 53 28.942 -0.020 13.412 1.00 62.42 C ATOM 760 CG2 ILE A 53 30.847 -1.545 13.995 1.00 5.51 C ATOM 761 CD1 ILE A 53 29.558 0.583 12.169 1.00 10.51 C ATOM 0 H ILE A 53 31.179 -1.191 16.533 1.00 54.11 H new ATOM 0 HA ILE A 53 28.652 0.052 16.128 1.00 2.21 H new ATOM 0 HB ILE A 53 30.607 0.463 14.670 1.00 14.41 H new ATOM 0 HG12 ILE A 53 28.374 -0.908 13.133 1.00 62.42 H new ATOM 0 HG13 ILE A 53 28.234 0.690 13.838 1.00 62.42 H new ATOM 0 HG21 ILE A 53 31.342 -1.256 13.068 1.00 5.51 H new ATOM 0 HG22 ILE A 53 31.598 -1.774 14.751 1.00 5.51 H new ATOM 0 HG23 ILE A 53 30.230 -2.426 13.818 1.00 5.51 H new ATOM 0 HD11 ILE A 53 28.771 0.829 11.456 1.00 10.51 H new ATOM 0 HD12 ILE A 53 30.102 1.489 12.435 1.00 10.51 H new ATOM 0 HD13 ILE A 53 30.245 -0.134 11.719 1.00 10.51 H new ATOM 773 N ASP A 54 28.904 -3.185 15.735 1.00 71.12 N ATOM 774 CA ASP A 54 28.149 -4.415 15.527 1.00 73.15 C ATOM 775 C ASP A 54 27.017 -4.537 16.543 1.00 44.24 C ATOM 776 O ASP A 54 25.876 -4.829 16.185 1.00 14.14 O ATOM 777 CB ASP A 54 29.073 -5.629 15.626 1.00 22.40 C ATOM 778 CG ASP A 54 28.307 -6.936 15.691 1.00 25.22 C ATOM 779 OD1 ASP A 54 27.340 -7.096 14.918 1.00 1.30 O ATOM 780 OD2 ASP A 54 28.675 -7.799 16.516 1.00 30.20 O ATOM 0 H ASP A 54 29.866 -3.327 16.043 1.00 71.12 H new ATOM 0 HA ASP A 54 27.714 -4.380 14.528 1.00 73.15 H new ATOM 0 HB2 ASP A 54 29.741 -5.645 14.765 1.00 22.40 H new ATOM 0 HB3 ASP A 54 29.699 -5.534 16.513 1.00 22.40 H new ATOM 785 N THR A 55 27.342 -4.312 17.812 1.00 21.11 N ATOM 786 CA THR A 55 26.355 -4.399 18.880 1.00 14.34 C ATOM 787 C THR A 55 25.433 -3.184 18.877 1.00 23.24 C ATOM 788 O THR A 55 24.257 -3.284 19.228 1.00 61.25 O ATOM 789 CB THR A 55 27.029 -4.514 20.261 1.00 52.14 C ATOM 790 OG1 THR A 55 26.057 -4.863 21.253 1.00 62.42 O ATOM 791 CG2 THR A 55 27.704 -3.206 20.644 1.00 44.12 C ATOM 0 H THR A 55 28.282 -4.068 18.125 1.00 21.11 H new ATOM 0 HA THR A 55 25.768 -5.298 18.695 1.00 14.34 H new ATOM 0 HB THR A 55 27.788 -5.294 20.206 1.00 52.14 H new ATOM 0 HG1 THR A 55 26.494 -4.936 22.127 1.00 62.42 H new ATOM 0 HG21 THR A 55 28.173 -3.311 21.622 1.00 44.12 H new ATOM 0 HG22 THR A 55 28.463 -2.958 19.903 1.00 44.12 H new ATOM 0 HG23 THR A 55 26.960 -2.410 20.682 1.00 44.12 H new ATOM 799 N TYR A 56 25.974 -2.038 18.480 1.00 64.24 N ATOM 800 CA TYR A 56 25.201 -0.803 18.433 1.00 74.34 C ATOM 801 C TYR A 56 24.091 -0.895 17.389 1.00 1.15 C ATOM 802 O TYR A 56 22.927 -0.613 17.678 1.00 24.33 O ATOM 803 CB TYR A 56 26.113 0.384 18.120 1.00 64.43 C ATOM 804 CG TYR A 56 25.408 1.720 18.171 1.00 20.01 C ATOM 805 CD1 TYR A 56 24.600 2.142 17.122 1.00 20.23 C ATOM 806 CD2 TYR A 56 25.550 2.561 19.268 1.00 42.23 C ATOM 807 CE1 TYR A 56 23.954 3.362 17.165 1.00 41.35 C ATOM 808 CE2 TYR A 56 24.907 3.783 19.319 1.00 30.41 C ATOM 809 CZ TYR A 56 24.110 4.179 18.265 1.00 23.21 C ATOM 810 OH TYR A 56 23.469 5.395 18.312 1.00 50.41 O ATOM 0 H TYR A 56 26.946 -1.939 18.186 1.00 64.24 H new ATOM 0 HA TYR A 56 24.745 -0.653 19.411 1.00 74.34 H new ATOM 0 HB2 TYR A 56 26.941 0.392 18.829 1.00 64.43 H new ATOM 0 HB3 TYR A 56 26.544 0.248 17.128 1.00 64.43 H new ATOM 0 HD1 TYR A 56 24.475 1.505 16.259 1.00 20.23 H new ATOM 0 HD2 TYR A 56 26.174 2.254 20.095 1.00 42.23 H new ATOM 0 HE1 TYR A 56 23.330 3.675 16.341 1.00 41.35 H new ATOM 0 HE2 TYR A 56 25.028 4.425 20.179 1.00 30.41 H new ATOM 0 HH TYR A 56 23.483 5.737 19.230 1.00 50.41 H new ATOM 820 N CYS A 57 24.460 -1.291 16.177 1.00 61.15 N ATOM 821 CA CYS A 57 23.497 -1.420 15.089 1.00 62.45 C ATOM 822 C CYS A 57 22.563 -2.602 15.327 1.00 33.01 C ATOM 823 O CYS A 57 21.347 -2.487 15.173 1.00 14.04 O ATOM 824 CB CYS A 57 24.224 -1.591 13.754 1.00 42.01 C ATOM 825 SG CYS A 57 24.265 -0.095 12.739 1.00 3.13 S ATOM 0 H CYS A 57 25.419 -1.528 15.922 1.00 61.15 H new ATOM 0 HA CYS A 57 22.900 -0.509 15.056 1.00 62.45 H new ATOM 0 HB2 CYS A 57 25.247 -1.914 13.948 1.00 42.01 H new ATOM 0 HB3 CYS A 57 23.741 -2.388 13.189 1.00 42.01 H new ATOM 0 HG CYS A 57 23.588 -0.293 11.647 1.00 3.13 H new ATOM 831 N LYS A 58 23.139 -3.739 15.702 1.00 0.13 N ATOM 832 CA LYS A 58 22.359 -4.943 15.962 1.00 22.21 C ATOM 833 C LYS A 58 21.318 -4.693 17.048 1.00 30.44 C ATOM 834 O LYS A 58 20.156 -5.077 16.910 1.00 63.23 O ATOM 835 CB LYS A 58 23.280 -6.092 16.378 1.00 24.23 C ATOM 836 CG LYS A 58 22.579 -7.437 16.453 1.00 21.51 C ATOM 837 CD LYS A 58 23.483 -8.564 15.981 1.00 33.44 C ATOM 838 CE LYS A 58 22.677 -9.775 15.535 1.00 3.02 C ATOM 839 NZ LYS A 58 22.572 -10.799 16.611 1.00 5.25 N ATOM 0 H LYS A 58 24.144 -3.852 15.833 1.00 0.13 H new ATOM 0 HA LYS A 58 21.841 -5.216 15.043 1.00 22.21 H new ATOM 0 HB2 LYS A 58 24.105 -6.161 15.668 1.00 24.23 H new ATOM 0 HB3 LYS A 58 23.715 -5.864 17.351 1.00 24.23 H new ATOM 0 HG2 LYS A 58 22.264 -7.627 17.479 1.00 21.51 H new ATOM 0 HG3 LYS A 58 21.677 -7.413 15.842 1.00 21.51 H new ATOM 0 HD2 LYS A 58 24.102 -8.214 15.155 1.00 33.44 H new ATOM 0 HD3 LYS A 58 24.159 -8.852 16.787 1.00 33.44 H new ATOM 0 HE2 LYS A 58 21.678 -9.457 15.238 1.00 3.02 H new ATOM 0 HE3 LYS A 58 23.145 -10.219 14.656 1.00 3.02 H new ATOM 0 HZ1 LYS A 58 22.016 -11.608 16.267 1.00 5.25 H new ATOM 0 HZ2 LYS A 58 23.524 -11.122 16.877 1.00 5.25 H new ATOM 0 HZ3 LYS A 58 22.103 -10.384 17.441 1.00 5.25 H new ATOM 853 N LYS A 59 21.741 -4.047 18.129 1.00 12.43 N ATOM 854 CA LYS A 59 20.845 -3.742 19.239 1.00 60.42 C ATOM 855 C LYS A 59 19.773 -2.743 18.815 1.00 64.24 C ATOM 856 O LYS A 59 18.589 -2.936 19.089 1.00 24.31 O ATOM 857 CB LYS A 59 21.638 -3.184 20.423 1.00 73.31 C ATOM 858 CG LYS A 59 20.833 -3.102 21.709 1.00 64.32 C ATOM 859 CD LYS A 59 21.729 -3.192 22.933 1.00 32.12 C ATOM 860 CE LYS A 59 21.687 -1.909 23.749 1.00 23.33 C ATOM 861 NZ LYS A 59 22.595 -1.972 24.928 1.00 62.10 N ATOM 0 H LYS A 59 22.700 -3.724 18.261 1.00 12.43 H new ATOM 0 HA LYS A 59 20.355 -4.667 19.542 1.00 60.42 H new ATOM 0 HB2 LYS A 59 22.513 -3.811 20.591 1.00 73.31 H new ATOM 0 HB3 LYS A 59 22.003 -2.189 20.169 1.00 73.31 H new ATOM 0 HG2 LYS A 59 20.277 -2.165 21.732 1.00 64.32 H new ATOM 0 HG3 LYS A 59 20.100 -3.909 21.733 1.00 64.32 H new ATOM 0 HD2 LYS A 59 21.415 -4.030 23.555 1.00 32.12 H new ATOM 0 HD3 LYS A 59 22.754 -3.393 22.621 1.00 32.12 H new ATOM 0 HE2 LYS A 59 21.970 -1.067 23.117 1.00 23.33 H new ATOM 0 HE3 LYS A 59 20.667 -1.726 24.086 1.00 23.33 H new ATOM 0 HZ1 LYS A 59 22.538 -1.079 25.458 1.00 62.10 H new ATOM 0 HZ2 LYS A 59 22.310 -2.760 25.544 1.00 62.10 H new ATOM 0 HZ3 LYS A 59 23.572 -2.121 24.606 1.00 62.10 H new ATOM 875 N GLN A 60 20.197 -1.677 18.144 1.00 62.04 N ATOM 876 CA GLN A 60 19.273 -0.649 17.681 1.00 15.34 C ATOM 877 C GLN A 60 18.254 -1.231 16.707 1.00 12.20 C ATOM 878 O GLN A 60 17.197 -0.646 16.475 1.00 12.32 O ATOM 879 CB GLN A 60 20.040 0.494 17.014 1.00 74.14 C ATOM 880 CG GLN A 60 19.151 1.644 16.567 1.00 63.30 C ATOM 881 CD GLN A 60 19.921 2.936 16.377 1.00 13.15 C ATOM 882 OE1 GLN A 60 21.117 3.007 16.659 1.00 64.42 O ATOM 883 NE2 GLN A 60 19.236 3.968 15.898 1.00 43.01 N ATOM 0 H GLN A 60 21.174 -1.503 17.909 1.00 62.04 H new ATOM 0 HA GLN A 60 18.738 -0.260 18.548 1.00 15.34 H new ATOM 0 HB2 GLN A 60 20.788 0.873 17.710 1.00 74.14 H new ATOM 0 HB3 GLN A 60 20.578 0.104 16.150 1.00 74.14 H new ATOM 0 HG2 GLN A 60 18.661 1.377 15.631 1.00 63.30 H new ATOM 0 HG3 GLN A 60 18.365 1.799 17.306 1.00 63.30 H new ATOM 0 HE21 GLN A 60 18.245 3.865 15.678 1.00 43.01 H new ATOM 0 HE22 GLN A 60 19.700 4.864 15.750 1.00 43.01 H new ATOM 892 N GLY A 61 18.580 -2.388 16.138 1.00 11.33 N ATOM 893 CA GLY A 61 17.683 -3.029 15.195 1.00 61.40 C ATOM 894 C GLY A 61 17.819 -2.470 13.793 1.00 43.22 C ATOM 895 O GLY A 61 16.837 -2.376 13.057 1.00 74.02 O ATOM 0 H GLY A 61 19.449 -2.892 16.314 1.00 11.33 H new ATOM 0 HA2 GLY A 61 17.885 -4.100 15.177 1.00 61.40 H new ATOM 0 HA3 GLY A 61 16.655 -2.904 15.534 1.00 61.40 H new ATOM 899 N ILE A 62 19.039 -2.096 13.423 1.00 44.32 N ATOM 900 CA ILE A 62 19.300 -1.542 12.100 1.00 53.11 C ATOM 901 C ILE A 62 20.653 -2.001 11.568 1.00 3.14 C ATOM 902 O ILE A 62 21.651 -1.990 12.289 1.00 10.42 O ATOM 903 CB ILE A 62 19.263 -0.002 12.117 1.00 73.31 C ATOM 904 CG1 ILE A 62 20.100 0.537 13.279 1.00 72.13 C ATOM 905 CG2 ILE A 62 17.827 0.492 12.217 1.00 64.01 C ATOM 906 CD1 ILE A 62 20.100 2.047 13.373 1.00 24.44 C ATOM 0 H ILE A 62 19.862 -2.166 14.021 1.00 44.32 H new ATOM 0 HA ILE A 62 18.511 -1.909 11.444 1.00 53.11 H new ATOM 0 HB ILE A 62 19.690 0.368 11.185 1.00 73.31 H new ATOM 0 HG12 ILE A 62 19.720 0.123 14.213 1.00 72.13 H new ATOM 0 HG13 ILE A 62 21.127 0.188 13.170 1.00 72.13 H new ATOM 0 HG21 ILE A 62 17.817 1.582 12.228 1.00 64.01 H new ATOM 0 HG22 ILE A 62 17.258 0.133 11.360 1.00 64.01 H new ATOM 0 HG23 ILE A 62 17.376 0.116 13.135 1.00 64.01 H new ATOM 0 HD11 ILE A 62 20.713 2.359 14.219 1.00 24.44 H new ATOM 0 HD12 ILE A 62 20.508 2.469 12.454 1.00 24.44 H new ATOM 0 HD13 ILE A 62 19.079 2.403 13.514 1.00 24.44 H new ATOM 918 N SER A 63 20.680 -2.403 10.302 1.00 41.23 N ATOM 919 CA SER A 63 21.911 -2.868 9.673 1.00 0.32 C ATOM 920 C SER A 63 22.986 -1.786 9.717 1.00 54.42 C ATOM 921 O SER A 63 22.722 -0.649 10.109 1.00 55.34 O ATOM 922 CB SER A 63 21.645 -3.280 8.224 1.00 13.31 C ATOM 923 OG SER A 63 20.897 -4.482 8.165 1.00 54.20 O ATOM 0 H SER A 63 19.863 -2.416 9.691 1.00 41.23 H new ATOM 0 HA SER A 63 22.269 -3.734 10.229 1.00 0.32 H new ATOM 0 HB2 SER A 63 21.104 -2.486 7.710 1.00 13.31 H new ATOM 0 HB3 SER A 63 22.592 -3.411 7.700 1.00 13.31 H new ATOM 0 HG SER A 63 20.739 -4.723 7.228 1.00 54.20 H new ATOM 929 N ARG A 64 24.198 -2.148 9.312 1.00 63.12 N ATOM 930 CA ARG A 64 25.314 -1.210 9.305 1.00 0.34 C ATOM 931 C ARG A 64 25.338 -0.403 8.011 1.00 42.35 C ATOM 932 O ARG A 64 26.363 -0.327 7.334 1.00 72.21 O ATOM 933 CB ARG A 64 26.638 -1.957 9.478 1.00 13.10 C ATOM 934 CG ARG A 64 27.747 -1.102 10.068 1.00 2.10 C ATOM 935 CD ARG A 64 29.043 -1.886 10.203 1.00 61.23 C ATOM 936 NE ARG A 64 30.108 -1.331 9.371 1.00 32.03 N ATOM 937 CZ ARG A 64 31.279 -1.929 9.181 1.00 52.50 C ATOM 938 NH1 ARG A 64 31.534 -3.094 9.759 1.00 11.14 N ATOM 939 NH2 ARG A 64 32.197 -1.360 8.410 1.00 23.41 N ATOM 0 H ARG A 64 24.433 -3.085 8.984 1.00 63.12 H new ATOM 0 HA ARG A 64 25.182 -0.522 10.140 1.00 0.34 H new ATOM 0 HB2 ARG A 64 26.476 -2.822 10.122 1.00 13.10 H new ATOM 0 HB3 ARG A 64 26.960 -2.337 8.509 1.00 13.10 H new ATOM 0 HG2 ARG A 64 27.912 -0.230 9.435 1.00 2.10 H new ATOM 0 HG3 ARG A 64 27.441 -0.732 11.046 1.00 2.10 H new ATOM 0 HD2 ARG A 64 29.360 -1.885 11.246 1.00 61.23 H new ATOM 0 HD3 ARG A 64 28.869 -2.925 9.923 1.00 61.23 H new ATOM 0 HE ARG A 64 29.944 -0.436 8.911 1.00 32.03 H new ATOM 0 HH11 ARG A 64 30.830 -3.534 10.352 1.00 11.14 H new ATOM 0 HH12 ARG A 64 32.434 -3.551 9.611 1.00 11.14 H new ATOM 0 HH21 ARG A 64 32.004 -0.464 7.963 1.00 23.41 H new ATOM 0 HH22 ARG A 64 33.096 -1.819 8.264 1.00 23.41 H new ATOM 953 N ASN A 65 24.202 0.198 7.672 1.00 11.25 N ATOM 954 CA ASN A 65 24.092 0.999 6.458 1.00 25.43 C ATOM 955 C ASN A 65 23.181 2.202 6.680 1.00 21.22 C ATOM 956 O ASN A 65 22.419 2.588 5.794 1.00 32.01 O ATOM 957 CB ASN A 65 23.558 0.145 5.306 1.00 12.34 C ATOM 958 CG ASN A 65 24.328 -1.151 5.141 1.00 41.51 C ATOM 959 OD1 ASN A 65 23.841 -2.213 5.772 1.00 53.51 O flip ATOM 960 ND2 ASN A 65 25.349 -1.196 4.454 1.00 50.24 N flip ATOM 0 H ASN A 65 23.344 0.145 8.221 1.00 11.25 H new ATOM 0 HA ASN A 65 25.087 1.363 6.201 1.00 25.43 H new ATOM 0 HB2 ASN A 65 22.506 -0.081 5.482 1.00 12.34 H new ATOM 0 HB3 ASN A 65 23.611 0.716 4.379 1.00 12.34 H new ATOM 0 HD21 ASN A 65 25.687 -0.355 3.987 1.00 50.24 H new ATOM 0 HD22 ASN A 65 25.857 -2.075 4.352 1.00 50.24 H new ATOM 967 N SER A 66 23.266 2.790 7.869 1.00 40.40 N ATOM 968 CA SER A 66 22.447 3.948 8.209 1.00 30.12 C ATOM 969 C SER A 66 23.073 4.739 9.353 1.00 3.24 C ATOM 970 O SER A 66 22.385 5.462 10.074 1.00 35.51 O ATOM 971 CB SER A 66 21.034 3.504 8.594 1.00 3.21 C ATOM 972 OG SER A 66 20.144 4.606 8.624 1.00 51.24 O ATOM 0 H SER A 66 23.893 2.484 8.613 1.00 40.40 H new ATOM 0 HA SER A 66 22.392 4.593 7.332 1.00 30.12 H new ATOM 0 HB2 SER A 66 20.675 2.762 7.880 1.00 3.21 H new ATOM 0 HB3 SER A 66 21.054 3.022 9.572 1.00 3.21 H new ATOM 0 HG SER A 66 20.521 5.316 9.184 1.00 51.24 H new ATOM 978 N VAL A 67 24.385 4.597 9.514 1.00 1.22 N ATOM 979 CA VAL A 67 25.106 5.299 10.569 1.00 24.35 C ATOM 980 C VAL A 67 26.578 5.469 10.210 1.00 61.31 C ATOM 981 O VAL A 67 27.297 4.489 10.016 1.00 25.41 O ATOM 982 CB VAL A 67 25.000 4.553 11.913 1.00 3.00 C ATOM 983 CG1 VAL A 67 23.667 4.847 12.583 1.00 33.40 C ATOM 984 CG2 VAL A 67 25.185 3.057 11.708 1.00 43.12 C ATOM 0 H VAL A 67 24.970 4.002 8.927 1.00 1.22 H new ATOM 0 HA VAL A 67 24.644 6.281 10.669 1.00 24.35 H new ATOM 0 HB VAL A 67 25.795 4.907 12.569 1.00 3.00 H new ATOM 0 HG11 VAL A 67 23.610 4.312 13.531 1.00 33.40 H new ATOM 0 HG12 VAL A 67 23.580 5.918 12.766 1.00 33.40 H new ATOM 0 HG13 VAL A 67 22.854 4.522 11.934 1.00 33.40 H new ATOM 0 HG21 VAL A 67 25.107 2.546 12.668 1.00 43.12 H new ATOM 0 HG22 VAL A 67 24.414 2.684 11.034 1.00 43.12 H new ATOM 0 HG23 VAL A 67 26.167 2.868 11.275 1.00 43.12 H new ATOM 994 N ARG A 68 27.020 6.719 10.123 1.00 54.21 N ATOM 995 CA ARG A 68 28.406 7.018 9.786 1.00 41.21 C ATOM 996 C ARG A 68 29.200 7.395 11.033 1.00 31.35 C ATOM 997 O ARG A 68 28.995 8.461 11.614 1.00 44.11 O ATOM 998 CB ARG A 68 28.471 8.155 8.765 1.00 43.25 C ATOM 999 CG ARG A 68 29.881 8.470 8.292 1.00 23.51 C ATOM 1000 CD ARG A 68 29.979 8.444 6.775 1.00 50.43 C ATOM 1001 NE ARG A 68 30.529 7.184 6.282 1.00 10.34 N ATOM 1002 CZ ARG A 68 30.897 6.986 5.022 1.00 74.45 C ATOM 1003 NH1 ARG A 68 30.774 7.960 4.130 1.00 31.34 N ATOM 1004 NH2 ARG A 68 31.389 5.811 4.650 1.00 73.31 N ATOM 0 H ARG A 68 26.438 7.541 10.281 1.00 54.21 H new ATOM 0 HA ARG A 68 28.849 6.122 9.351 1.00 41.21 H new ATOM 0 HB2 ARG A 68 27.858 7.893 7.903 1.00 43.25 H new ATOM 0 HB3 ARG A 68 28.036 9.052 9.205 1.00 43.25 H new ATOM 0 HG2 ARG A 68 30.178 9.452 8.660 1.00 23.51 H new ATOM 0 HG3 ARG A 68 30.578 7.747 8.715 1.00 23.51 H new ATOM 0 HD2 ARG A 68 28.989 8.600 6.345 1.00 50.43 H new ATOM 0 HD3 ARG A 68 30.606 9.269 6.438 1.00 50.43 H new ATOM 0 HE ARG A 68 30.636 6.414 6.942 1.00 10.34 H new ATOM 0 HH11 ARG A 68 30.396 8.864 4.411 1.00 31.34 H new ATOM 0 HH12 ARG A 68 31.058 7.804 3.163 1.00 31.34 H new ATOM 0 HH21 ARG A 68 31.485 5.059 5.332 1.00 73.31 H new ATOM 0 HH22 ARG A 68 31.671 5.660 3.682 1.00 73.31 H new ATOM 1018 N PHE A 69 30.106 6.512 11.441 1.00 72.11 N ATOM 1019 CA PHE A 69 30.929 6.751 12.620 1.00 24.44 C ATOM 1020 C PHE A 69 32.209 7.495 12.249 1.00 15.10 C ATOM 1021 O PHE A 69 33.065 6.965 11.540 1.00 4.42 O ATOM 1022 CB PHE A 69 31.277 5.426 13.303 1.00 72.25 C ATOM 1023 CG PHE A 69 30.073 4.658 13.769 1.00 61.23 C ATOM 1024 CD1 PHE A 69 29.298 3.945 12.868 1.00 10.30 C ATOM 1025 CD2 PHE A 69 29.716 4.649 15.108 1.00 65.14 C ATOM 1026 CE1 PHE A 69 28.190 3.237 13.294 1.00 52.23 C ATOM 1027 CE2 PHE A 69 28.610 3.942 15.539 1.00 12.41 C ATOM 1028 CZ PHE A 69 27.845 3.237 14.631 1.00 72.30 C ATOM 0 H PHE A 69 30.288 5.625 10.972 1.00 72.11 H new ATOM 0 HA PHE A 69 30.357 7.370 13.311 1.00 24.44 H new ATOM 0 HB2 PHE A 69 31.847 4.807 12.609 1.00 72.25 H new ATOM 0 HB3 PHE A 69 31.924 5.626 14.157 1.00 72.25 H new ATOM 0 HD1 PHE A 69 29.563 3.943 11.821 1.00 10.30 H new ATOM 0 HD2 PHE A 69 30.309 5.201 15.822 1.00 65.14 H new ATOM 0 HE1 PHE A 69 27.595 2.684 12.582 1.00 52.23 H new ATOM 0 HE2 PHE A 69 28.344 3.941 16.586 1.00 12.41 H new ATOM 0 HZ PHE A 69 26.978 2.687 14.966 1.00 72.30 H new ATOM 1038 N LEU A 70 32.330 8.727 12.732 1.00 63.40 N ATOM 1039 CA LEU A 70 33.504 9.546 12.451 1.00 23.12 C ATOM 1040 C LEU A 70 34.194 9.970 13.744 1.00 63.41 C ATOM 1041 O LEU A 70 33.556 10.094 14.789 1.00 34.41 O ATOM 1042 CB LEU A 70 33.106 10.782 11.643 1.00 3.32 C ATOM 1043 CG LEU A 70 31.734 11.378 11.959 1.00 32.44 C ATOM 1044 CD1 LEU A 70 31.737 12.024 13.336 1.00 53.21 C ATOM 1045 CD2 LEU A 70 31.332 12.388 10.894 1.00 24.34 C ATOM 0 H LEU A 70 31.630 9.180 13.320 1.00 63.40 H new ATOM 0 HA LEU A 70 34.203 8.947 11.867 1.00 23.12 H new ATOM 0 HB2 LEU A 70 33.860 11.553 11.801 1.00 3.32 H new ATOM 0 HB3 LEU A 70 33.132 10.523 10.584 1.00 3.32 H new ATOM 0 HG LEU A 70 31.001 10.572 11.960 1.00 32.44 H new ATOM 0 HD11 LEU A 70 30.752 12.443 13.544 1.00 53.21 H new ATOM 0 HD12 LEU A 70 31.979 11.274 14.089 1.00 53.21 H new ATOM 0 HD13 LEU A 70 32.482 12.819 13.363 1.00 53.21 H new ATOM 0 HD21 LEU A 70 30.353 12.802 11.136 1.00 24.34 H new ATOM 0 HD22 LEU A 70 32.067 13.192 10.859 1.00 24.34 H new ATOM 0 HD23 LEU A 70 31.288 11.895 9.923 1.00 24.34 H new ATOM 1057 N PHE A 71 35.502 10.193 13.665 1.00 60.42 N ATOM 1058 CA PHE A 71 36.279 10.604 14.828 1.00 1.01 C ATOM 1059 C PHE A 71 36.937 11.960 14.591 1.00 43.04 C ATOM 1060 O PHE A 71 37.950 12.058 13.897 1.00 31.42 O ATOM 1061 CB PHE A 71 37.346 9.556 15.152 1.00 41.23 C ATOM 1062 CG PHE A 71 38.423 10.061 16.069 1.00 21.10 C ATOM 1063 CD1 PHE A 71 38.101 10.797 17.198 1.00 63.11 C ATOM 1064 CD2 PHE A 71 39.757 9.800 15.802 1.00 64.30 C ATOM 1065 CE1 PHE A 71 39.090 11.262 18.044 1.00 11.54 C ATOM 1066 CE2 PHE A 71 40.750 10.262 16.645 1.00 42.21 C ATOM 1067 CZ PHE A 71 40.416 10.996 17.767 1.00 62.42 C ATOM 0 H PHE A 71 36.046 10.096 12.808 1.00 60.42 H new ATOM 0 HA PHE A 71 35.599 10.693 15.675 1.00 1.01 H new ATOM 0 HB2 PHE A 71 36.867 8.691 15.609 1.00 41.23 H new ATOM 0 HB3 PHE A 71 37.802 9.214 14.223 1.00 41.23 H new ATOM 0 HD1 PHE A 71 37.066 11.010 17.419 1.00 63.11 H new ATOM 0 HD2 PHE A 71 40.024 9.229 14.925 1.00 64.30 H new ATOM 0 HE1 PHE A 71 38.826 11.833 18.922 1.00 11.54 H new ATOM 0 HE2 PHE A 71 41.786 10.049 16.427 1.00 42.21 H new ATOM 0 HZ PHE A 71 41.190 11.361 18.426 1.00 62.42 H new ATOM 1077 N ASP A 72 36.354 13.003 15.170 1.00 3.44 N ATOM 1078 CA ASP A 72 36.883 14.354 15.023 1.00 3.31 C ATOM 1079 C ASP A 72 37.026 14.724 13.550 1.00 0.41 C ATOM 1080 O ASP A 72 37.859 15.553 13.186 1.00 62.14 O ATOM 1081 CB ASP A 72 38.237 14.474 15.725 1.00 13.44 C ATOM 1082 CG ASP A 72 38.639 15.916 15.964 1.00 1.51 C ATOM 1083 OD1 ASP A 72 37.842 16.663 16.570 1.00 31.35 O ATOM 1084 OD2 ASP A 72 39.752 16.299 15.545 1.00 34.44 O ATOM 0 H ASP A 72 35.515 12.939 15.746 1.00 3.44 H new ATOM 0 HA ASP A 72 36.179 15.045 15.487 1.00 3.31 H new ATOM 0 HB2 ASP A 72 38.196 13.948 16.679 1.00 13.44 H new ATOM 0 HB3 ASP A 72 39.000 13.982 15.122 1.00 13.44 H new ATOM 1089 N GLY A 73 36.207 14.103 12.707 1.00 61.13 N ATOM 1090 CA GLY A 73 36.259 14.379 11.283 1.00 1.20 C ATOM 1091 C GLY A 73 36.812 13.214 10.486 1.00 1.41 C ATOM 1092 O GLY A 73 37.056 13.333 9.285 1.00 54.33 O ATOM 0 H GLY A 73 35.508 13.414 12.985 1.00 61.13 H new ATOM 0 HA2 GLY A 73 35.257 14.617 10.925 1.00 1.20 H new ATOM 0 HA3 GLY A 73 36.877 15.260 11.109 1.00 1.20 H new ATOM 1096 N THR A 74 37.013 12.084 11.156 1.00 63.43 N ATOM 1097 CA THR A 74 37.544 10.893 10.503 1.00 11.24 C ATOM 1098 C THR A 74 36.475 9.814 10.374 1.00 12.33 C ATOM 1099 O THR A 74 36.374 8.905 11.198 1.00 34.11 O ATOM 1100 CB THR A 74 38.746 10.318 11.275 1.00 5.44 C ATOM 1101 OG1 THR A 74 39.568 11.384 11.766 1.00 32.35 O ATOM 1102 CG2 THR A 74 39.573 9.403 10.385 1.00 23.35 C ATOM 0 H THR A 74 36.816 11.968 12.150 1.00 63.43 H new ATOM 0 HA THR A 74 37.872 11.197 9.509 1.00 11.24 H new ATOM 0 HB THR A 74 38.366 9.736 12.114 1.00 5.44 H new ATOM 0 HG1 THR A 74 39.151 11.779 12.560 1.00 32.35 H new ATOM 0 HG21 THR A 74 40.416 9.009 10.952 1.00 23.35 H new ATOM 0 HG22 THR A 74 38.953 8.577 10.036 1.00 23.35 H new ATOM 0 HG23 THR A 74 39.943 9.966 9.528 1.00 23.35 H new ATOM 1110 N PRO A 75 35.657 9.914 9.316 1.00 52.21 N ATOM 1111 CA PRO A 75 34.581 8.954 9.054 1.00 71.25 C ATOM 1112 C PRO A 75 35.113 7.587 8.637 1.00 71.20 C ATOM 1113 O PRO A 75 35.441 7.367 7.471 1.00 43.53 O ATOM 1114 CB PRO A 75 33.803 9.598 7.903 1.00 1.13 C ATOM 1115 CG PRO A 75 34.796 10.473 7.218 1.00 75.41 C ATOM 1116 CD PRO A 75 35.720 10.972 8.294 1.00 52.24 C ATOM 0 HA PRO A 75 33.978 8.766 9.942 1.00 71.25 H new ATOM 0 HB2 PRO A 75 33.404 8.844 7.224 1.00 1.13 H new ATOM 0 HB3 PRO A 75 32.955 10.175 8.272 1.00 1.13 H new ATOM 0 HG2 PRO A 75 35.346 9.918 6.458 1.00 75.41 H new ATOM 0 HG3 PRO A 75 34.302 11.303 6.712 1.00 75.41 H new ATOM 0 HD2 PRO A 75 36.735 11.110 7.920 1.00 52.24 H new ATOM 0 HD3 PRO A 75 35.393 11.933 8.690 1.00 52.24 H new ATOM 1124 N ILE A 76 35.195 6.672 9.597 1.00 71.54 N ATOM 1125 CA ILE A 76 35.686 5.326 9.328 1.00 74.41 C ATOM 1126 C ILE A 76 34.995 4.300 10.221 1.00 51.23 C ATOM 1127 O ILE A 76 34.711 4.569 11.388 1.00 51.50 O ATOM 1128 CB ILE A 76 37.208 5.229 9.538 1.00 43.24 C ATOM 1129 CG1 ILE A 76 37.939 6.149 8.558 1.00 42.43 C ATOM 1130 CG2 ILE A 76 37.676 3.791 9.371 1.00 11.13 C ATOM 1131 CD1 ILE A 76 37.787 5.734 7.111 1.00 4.31 C ATOM 0 H ILE A 76 34.928 6.838 10.567 1.00 71.54 H new ATOM 0 HA ILE A 76 35.457 5.110 8.285 1.00 74.41 H new ATOM 0 HB ILE A 76 37.441 5.551 10.553 1.00 43.24 H new ATOM 0 HG12 ILE A 76 37.563 7.165 8.677 1.00 42.43 H new ATOM 0 HG13 ILE A 76 38.999 6.169 8.812 1.00 42.43 H new ATOM 0 HG21 ILE A 76 38.754 3.739 9.523 1.00 11.13 H new ATOM 0 HG22 ILE A 76 37.176 3.158 10.104 1.00 11.13 H new ATOM 0 HG23 ILE A 76 37.434 3.444 8.367 1.00 11.13 H new ATOM 0 HD11 ILE A 76 38.331 6.431 6.474 1.00 4.31 H new ATOM 0 HD12 ILE A 76 38.189 4.730 6.976 1.00 4.31 H new ATOM 0 HD13 ILE A 76 36.731 5.742 6.839 1.00 4.31 H new ATOM 1143 N ASP A 77 34.729 3.124 9.665 1.00 62.55 N ATOM 1144 CA ASP A 77 34.074 2.055 10.411 1.00 43.51 C ATOM 1145 C ASP A 77 34.950 0.807 10.455 1.00 50.15 C ATOM 1146 O ASP A 77 34.876 -0.045 9.570 1.00 33.21 O ATOM 1147 CB ASP A 77 32.720 1.722 9.783 1.00 30.14 C ATOM 1148 CG ASP A 77 32.738 1.838 8.272 1.00 51.01 C ATOM 1149 OD1 ASP A 77 33.710 1.358 7.651 1.00 12.21 O ATOM 1150 OD2 ASP A 77 31.780 2.408 7.710 1.00 73.13 O ATOM 0 H ASP A 77 34.957 2.886 8.700 1.00 62.55 H new ATOM 0 HA ASP A 77 33.916 2.402 11.432 1.00 43.51 H new ATOM 0 HB2 ASP A 77 32.432 0.709 10.063 1.00 30.14 H new ATOM 0 HB3 ASP A 77 31.961 2.392 10.187 1.00 30.14 H new ATOM 1155 N GLU A 78 35.779 0.708 11.489 1.00 61.31 N ATOM 1156 CA GLU A 78 36.670 -0.436 11.646 1.00 42.14 C ATOM 1157 C GLU A 78 37.473 -0.327 12.939 1.00 34.10 C ATOM 1158 O GLU A 78 37.514 0.729 13.571 1.00 4.10 O ATOM 1159 CB GLU A 78 37.620 -0.538 10.450 1.00 31.23 C ATOM 1160 CG GLU A 78 37.272 -1.664 9.491 1.00 11.00 C ATOM 1161 CD GLU A 78 37.233 -1.208 8.045 1.00 0.55 C ATOM 1162 OE1 GLU A 78 38.231 -0.616 7.582 1.00 35.24 O ATOM 1163 OE2 GLU A 78 36.204 -1.442 7.377 1.00 23.34 O ATOM 0 H GLU A 78 35.852 1.405 12.230 1.00 61.31 H new ATOM 0 HA GLU A 78 36.058 -1.337 11.693 1.00 42.14 H new ATOM 0 HB2 GLU A 78 37.610 0.407 9.907 1.00 31.23 H new ATOM 0 HB3 GLU A 78 38.636 -0.684 10.815 1.00 31.23 H new ATOM 0 HG2 GLU A 78 38.004 -2.465 9.596 1.00 11.00 H new ATOM 0 HG3 GLU A 78 36.302 -2.081 9.763 1.00 11.00 H new ATOM 1170 N THR A 79 38.109 -1.428 13.328 1.00 1.41 N ATOM 1171 CA THR A 79 38.909 -1.458 14.546 1.00 12.31 C ATOM 1172 C THR A 79 40.398 -1.499 14.225 1.00 64.20 C ATOM 1173 O THR A 79 41.217 -1.863 15.070 1.00 74.21 O ATOM 1174 CB THR A 79 38.550 -2.672 15.424 1.00 44.05 C ATOM 1175 OG1 THR A 79 39.223 -2.581 16.685 1.00 52.35 O ATOM 1176 CG2 THR A 79 38.934 -3.971 14.732 1.00 74.53 C ATOM 0 H THR A 79 38.085 -2.310 12.817 1.00 1.41 H new ATOM 0 HA THR A 79 38.684 -0.543 15.095 1.00 12.31 H new ATOM 0 HB THR A 79 37.472 -2.669 15.587 1.00 44.05 H new ATOM 0 HG1 THR A 79 40.136 -2.253 16.546 1.00 52.35 H new ATOM 0 HG21 THR A 79 38.671 -4.815 15.370 1.00 74.53 H new ATOM 0 HG22 THR A 79 38.399 -4.051 13.786 1.00 74.53 H new ATOM 0 HG23 THR A 79 40.008 -3.979 14.543 1.00 74.53 H new ATOM 1184 N LYS A 80 40.745 -1.123 12.999 1.00 62.54 N ATOM 1185 CA LYS A 80 42.137 -1.115 12.565 1.00 23.42 C ATOM 1186 C LYS A 80 42.563 0.283 12.129 1.00 62.34 C ATOM 1187 O LYS A 80 43.677 0.723 12.417 1.00 72.30 O ATOM 1188 CB LYS A 80 42.341 -2.104 11.415 1.00 34.41 C ATOM 1189 CG LYS A 80 43.271 -3.255 11.759 1.00 10.42 C ATOM 1190 CD LYS A 80 42.677 -4.150 12.834 1.00 3.52 C ATOM 1191 CE LYS A 80 42.237 -5.489 12.264 1.00 52.13 C ATOM 1192 NZ LYS A 80 43.377 -6.438 12.132 1.00 10.30 N ATOM 0 H LYS A 80 40.080 -0.819 12.287 1.00 62.54 H new ATOM 0 HA LYS A 80 42.756 -1.418 13.410 1.00 23.42 H new ATOM 0 HB2 LYS A 80 41.373 -2.507 11.118 1.00 34.41 H new ATOM 0 HB3 LYS A 80 42.742 -1.569 10.554 1.00 34.41 H new ATOM 0 HG2 LYS A 80 43.470 -3.843 10.863 1.00 10.42 H new ATOM 0 HG3 LYS A 80 44.228 -2.861 12.100 1.00 10.42 H new ATOM 0 HD2 LYS A 80 43.413 -4.313 13.621 1.00 3.52 H new ATOM 0 HD3 LYS A 80 41.824 -3.651 13.294 1.00 3.52 H new ATOM 0 HE2 LYS A 80 41.474 -5.925 12.909 1.00 52.13 H new ATOM 0 HE3 LYS A 80 41.778 -5.335 11.287 1.00 52.13 H new ATOM 0 HZ1 LYS A 80 43.035 -7.339 11.740 1.00 10.30 H new ATOM 0 HZ2 LYS A 80 44.094 -6.033 11.496 1.00 10.30 H new ATOM 0 HZ3 LYS A 80 43.799 -6.606 13.068 1.00 10.30 H new ATOM 1206 N THR A 81 41.669 0.978 11.433 1.00 44.55 N ATOM 1207 CA THR A 81 41.953 2.327 10.957 1.00 74.42 C ATOM 1208 C THR A 81 42.146 3.291 12.121 1.00 10.31 C ATOM 1209 O THR A 81 43.211 3.884 12.297 1.00 14.04 O ATOM 1210 CB THR A 81 40.822 2.852 10.052 1.00 41.11 C ATOM 1211 OG1 THR A 81 39.760 1.894 9.989 1.00 13.10 O ATOM 1212 CG2 THR A 81 41.339 3.136 8.650 1.00 42.32 C ATOM 0 H THR A 81 40.743 0.630 11.186 1.00 44.55 H new ATOM 0 HA THR A 81 42.875 2.271 10.379 1.00 74.42 H new ATOM 0 HB THR A 81 40.447 3.782 10.479 1.00 41.11 H new ATOM 0 HG1 THR A 81 39.520 1.733 9.053 1.00 13.10 H new ATOM 0 HG21 THR A 81 40.523 3.506 8.029 1.00 42.32 H new ATOM 0 HG22 THR A 81 42.127 3.887 8.698 1.00 42.32 H new ATOM 0 HG23 THR A 81 41.738 2.219 8.217 1.00 42.32 H new ATOM 1220 N PRO A 82 41.094 3.454 12.937 1.00 32.20 N ATOM 1221 CA PRO A 82 41.124 4.345 14.100 1.00 3.42 C ATOM 1222 C PRO A 82 42.028 3.820 15.210 1.00 22.41 C ATOM 1223 O PRO A 82 42.465 4.576 16.077 1.00 33.32 O ATOM 1224 CB PRO A 82 39.666 4.372 14.565 1.00 23.44 C ATOM 1225 CG PRO A 82 39.091 3.086 14.081 1.00 72.23 C ATOM 1226 CD PRO A 82 39.794 2.779 12.787 1.00 15.11 C ATOM 0 HA PRO A 82 41.524 5.328 13.850 1.00 3.42 H new ATOM 0 HB2 PRO A 82 39.598 4.453 15.650 1.00 23.44 H new ATOM 0 HB3 PRO A 82 39.133 5.226 14.148 1.00 23.44 H new ATOM 0 HG2 PRO A 82 39.248 2.290 14.809 1.00 72.23 H new ATOM 0 HG3 PRO A 82 38.015 3.172 13.930 1.00 72.23 H new ATOM 0 HD2 PRO A 82 39.913 1.706 12.639 1.00 15.11 H new ATOM 0 HD3 PRO A 82 39.240 3.159 11.929 1.00 15.11 H new ATOM 1234 N GLU A 83 42.305 2.520 15.176 1.00 70.22 N ATOM 1235 CA GLU A 83 43.157 1.894 16.180 1.00 1.22 C ATOM 1236 C GLU A 83 44.625 2.235 15.938 1.00 54.35 C ATOM 1237 O GLU A 83 45.333 2.656 16.851 1.00 24.22 O ATOM 1238 CB GLU A 83 42.966 0.376 16.169 1.00 45.01 C ATOM 1239 CG GLU A 83 43.244 -0.282 17.510 1.00 70.20 C ATOM 1240 CD GLU A 83 44.290 -1.376 17.418 1.00 44.23 C ATOM 1241 OE1 GLU A 83 43.981 -2.448 16.857 1.00 45.44 O ATOM 1242 OE2 GLU A 83 45.419 -1.159 17.907 1.00 50.22 O ATOM 0 H GLU A 83 41.952 1.880 14.464 1.00 70.22 H new ATOM 0 HA GLU A 83 42.868 2.282 17.157 1.00 1.22 H new ATOM 0 HB2 GLU A 83 41.943 0.149 15.867 1.00 45.01 H new ATOM 0 HB3 GLU A 83 43.624 -0.059 15.417 1.00 45.01 H new ATOM 0 HG2 GLU A 83 43.577 0.475 18.220 1.00 70.20 H new ATOM 0 HG3 GLU A 83 42.318 -0.702 17.903 1.00 70.20 H new ATOM 1249 N GLU A 84 45.072 2.050 14.700 1.00 43.24 N ATOM 1250 CA GLU A 84 46.455 2.337 14.337 1.00 23.13 C ATOM 1251 C GLU A 84 46.687 3.841 14.221 1.00 33.23 C ATOM 1252 O GLU A 84 47.768 4.340 14.535 1.00 1.13 O ATOM 1253 CB GLU A 84 46.813 1.651 13.017 1.00 55.53 C ATOM 1254 CG GLU A 84 46.141 2.277 11.805 1.00 25.24 C ATOM 1255 CD GLU A 84 46.989 3.357 11.162 1.00 52.21 C ATOM 1256 OE1 GLU A 84 48.097 3.035 10.685 1.00 43.42 O ATOM 1257 OE2 GLU A 84 46.544 4.524 11.136 1.00 62.35 O ATOM 0 H GLU A 84 44.497 1.703 13.932 1.00 43.24 H new ATOM 0 HA GLU A 84 47.098 1.948 15.126 1.00 23.13 H new ATOM 0 HB2 GLU A 84 47.894 1.685 12.881 1.00 55.53 H new ATOM 0 HB3 GLU A 84 46.532 0.599 13.075 1.00 55.53 H new ATOM 0 HG2 GLU A 84 45.929 1.501 11.070 1.00 25.24 H new ATOM 0 HG3 GLU A 84 45.183 2.702 12.104 1.00 25.24 H new ATOM 1264 N LEU A 85 45.664 4.557 13.768 1.00 42.33 N ATOM 1265 CA LEU A 85 45.755 6.005 13.609 1.00 31.41 C ATOM 1266 C LEU A 85 45.655 6.708 14.959 1.00 20.30 C ATOM 1267 O LEU A 85 46.282 7.743 15.179 1.00 12.20 O ATOM 1268 CB LEU A 85 44.650 6.506 12.677 1.00 31.54 C ATOM 1269 CG LEU A 85 44.636 8.009 12.400 1.00 44.22 C ATOM 1270 CD1 LEU A 85 44.563 8.275 10.904 1.00 1.23 C ATOM 1271 CD2 LEU A 85 43.472 8.674 13.119 1.00 32.13 C ATOM 0 H LEU A 85 44.762 4.159 13.504 1.00 42.33 H new ATOM 0 HA LEU A 85 46.725 6.238 13.170 1.00 31.41 H new ATOM 0 HB2 LEU A 85 44.740 5.982 11.725 1.00 31.54 H new ATOM 0 HB3 LEU A 85 43.687 6.227 13.105 1.00 31.54 H new ATOM 0 HG LEU A 85 45.563 8.437 12.780 1.00 44.22 H new ATOM 0 HD11 LEU A 85 44.554 9.350 10.726 1.00 1.23 H new ATOM 0 HD12 LEU A 85 45.430 7.833 10.413 1.00 1.23 H new ATOM 0 HD13 LEU A 85 43.653 7.833 10.500 1.00 1.23 H new ATOM 0 HD21 LEU A 85 43.478 9.744 12.910 1.00 32.13 H new ATOM 0 HD22 LEU A 85 42.534 8.242 12.770 1.00 32.13 H new ATOM 0 HD23 LEU A 85 43.568 8.514 14.193 1.00 32.13 H new ATOM 1283 N GLY A 86 44.863 6.136 15.861 1.00 24.25 N ATOM 1284 CA GLY A 86 44.698 6.720 17.179 1.00 13.25 C ATOM 1285 C GLY A 86 45.709 6.194 18.178 1.00 4.23 C ATOM 1286 O GLY A 86 46.496 6.959 18.736 1.00 34.14 O ATOM 0 H GLY A 86 44.333 5.279 15.702 1.00 24.25 H new ATOM 0 HA2 GLY A 86 44.793 7.803 17.107 1.00 13.25 H new ATOM 0 HA3 GLY A 86 43.691 6.512 17.542 1.00 13.25 H new ATOM 1290 N MET A 87 45.689 4.885 18.405 1.00 33.14 N ATOM 1291 CA MET A 87 46.611 4.258 19.345 1.00 64.03 C ATOM 1292 C MET A 87 46.371 4.765 20.763 1.00 21.12 C ATOM 1293 O MET A 87 47.316 5.015 21.510 1.00 2.32 O ATOM 1294 CB MET A 87 48.059 4.532 18.931 1.00 55.11 C ATOM 1295 CG MET A 87 48.330 4.269 17.459 1.00 52.45 C ATOM 1296 SD MET A 87 49.956 3.545 17.170 1.00 13.42 S ATOM 1297 CE MET A 87 50.867 4.977 16.596 1.00 32.24 C ATOM 0 H MET A 87 45.045 4.238 17.951 1.00 33.14 H new ATOM 0 HA MET A 87 46.432 3.183 19.328 1.00 64.03 H new ATOM 0 HB2 MET A 87 48.303 5.570 19.157 1.00 55.11 H new ATOM 0 HB3 MET A 87 48.724 3.911 19.531 1.00 55.11 H new ATOM 0 HG2 MET A 87 47.564 3.600 17.066 1.00 52.45 H new ATOM 0 HG3 MET A 87 48.250 5.205 16.906 1.00 52.45 H new ATOM 0 HE1 MET A 87 51.895 4.690 16.375 1.00 32.24 H new ATOM 0 HE2 MET A 87 50.398 5.369 15.694 1.00 32.24 H new ATOM 0 HE3 MET A 87 50.863 5.745 17.370 1.00 32.24 H new ATOM 1307 N GLU A 88 45.101 4.914 21.127 1.00 60.15 N ATOM 1308 CA GLU A 88 44.738 5.392 22.455 1.00 5.25 C ATOM 1309 C GLU A 88 43.493 4.677 22.970 1.00 34.11 C ATOM 1310 O GLU A 88 42.706 4.139 22.191 1.00 64.45 O ATOM 1311 CB GLU A 88 44.498 6.903 22.430 1.00 44.20 C ATOM 1312 CG GLU A 88 43.385 7.327 21.487 1.00 32.30 C ATOM 1313 CD GLU A 88 43.589 8.724 20.933 1.00 31.44 C ATOM 1314 OE1 GLU A 88 44.433 8.884 20.027 1.00 3.43 O ATOM 1315 OE2 GLU A 88 42.905 9.655 21.406 1.00 41.42 O ATOM 0 H GLU A 88 44.307 4.710 20.520 1.00 60.15 H new ATOM 0 HA GLU A 88 45.566 5.174 23.130 1.00 5.25 H new ATOM 0 HB2 GLU A 88 44.257 7.241 23.438 1.00 44.20 H new ATOM 0 HB3 GLU A 88 45.421 7.404 22.138 1.00 44.20 H new ATOM 0 HG2 GLU A 88 43.324 6.618 20.661 1.00 32.30 H new ATOM 0 HG3 GLU A 88 42.432 7.285 22.014 1.00 32.30 H new ATOM 1322 N ASP A 89 43.320 4.675 24.287 1.00 4.33 N ATOM 1323 CA ASP A 89 42.171 4.027 24.907 1.00 14.03 C ATOM 1324 C ASP A 89 40.981 4.979 24.975 1.00 51.41 C ATOM 1325 O ASP A 89 39.986 4.699 25.643 1.00 12.04 O ATOM 1326 CB ASP A 89 42.529 3.539 26.312 1.00 64.34 C ATOM 1327 CG ASP A 89 43.238 4.600 27.130 1.00 13.12 C ATOM 1328 OD1 ASP A 89 44.446 4.818 26.902 1.00 62.23 O ATOM 1329 OD2 ASP A 89 42.583 5.214 27.999 1.00 64.42 O ATOM 0 H ASP A 89 43.962 5.115 24.946 1.00 4.33 H new ATOM 0 HA ASP A 89 41.894 3.170 24.293 1.00 14.03 H new ATOM 0 HB2 ASP A 89 41.620 3.232 26.830 1.00 64.34 H new ATOM 0 HB3 ASP A 89 43.165 2.657 26.236 1.00 64.34 H new ATOM 1334 N ASP A 90 41.091 6.106 24.280 1.00 63.04 N ATOM 1335 CA ASP A 90 40.025 7.100 24.261 1.00 53.44 C ATOM 1336 C ASP A 90 39.472 7.277 22.850 1.00 40.42 C ATOM 1337 O ASP A 90 39.240 8.400 22.400 1.00 60.44 O ATOM 1338 CB ASP A 90 40.537 8.440 24.793 1.00 64.54 C ATOM 1339 CG ASP A 90 40.770 8.417 26.291 1.00 73.44 C ATOM 1340 OD1 ASP A 90 39.777 8.338 27.043 1.00 33.14 O ATOM 1341 OD2 ASP A 90 41.945 8.478 26.710 1.00 15.42 O ATOM 0 H ASP A 90 41.908 6.354 23.722 1.00 63.04 H new ATOM 0 HA ASP A 90 39.221 6.746 24.906 1.00 53.44 H new ATOM 0 HB2 ASP A 90 41.468 8.697 24.287 1.00 64.54 H new ATOM 0 HB3 ASP A 90 39.817 9.222 24.552 1.00 64.54 H new ATOM 1346 N ASP A 91 39.265 6.163 22.157 1.00 15.01 N ATOM 1347 CA ASP A 91 38.739 6.195 20.797 1.00 21.31 C ATOM 1348 C ASP A 91 37.243 6.493 20.799 1.00 1.04 C ATOM 1349 O ASP A 91 36.443 5.707 21.307 1.00 23.31 O ATOM 1350 CB ASP A 91 39.005 4.863 20.094 1.00 62.13 C ATOM 1351 CG ASP A 91 40.485 4.561 19.967 1.00 64.30 C ATOM 1352 OD1 ASP A 91 41.303 5.431 20.333 1.00 14.33 O ATOM 1353 OD2 ASP A 91 40.827 3.453 19.502 1.00 13.14 O ATOM 0 H ASP A 91 39.453 5.226 22.514 1.00 15.01 H new ATOM 0 HA ASP A 91 39.249 6.992 20.255 1.00 21.31 H new ATOM 0 HB2 ASP A 91 38.519 4.060 20.648 1.00 62.13 H new ATOM 0 HB3 ASP A 91 38.555 4.883 19.102 1.00 62.13 H new ATOM 1358 N VAL A 92 36.872 7.635 20.229 1.00 34.12 N ATOM 1359 CA VAL A 92 35.472 8.038 20.165 1.00 32.43 C ATOM 1360 C VAL A 92 34.936 7.939 18.741 1.00 30.25 C ATOM 1361 O VAL A 92 35.681 8.103 17.775 1.00 73.14 O ATOM 1362 CB VAL A 92 35.278 9.478 20.676 1.00 21.32 C ATOM 1363 CG1 VAL A 92 36.029 9.687 21.982 1.00 31.55 C ATOM 1364 CG2 VAL A 92 35.730 10.481 19.626 1.00 62.44 C ATOM 0 H VAL A 92 37.521 8.297 19.805 1.00 34.12 H new ATOM 0 HA VAL A 92 34.917 7.355 20.808 1.00 32.43 H new ATOM 0 HB VAL A 92 34.217 9.638 20.865 1.00 21.32 H new ATOM 0 HG11 VAL A 92 35.880 10.710 22.328 1.00 31.55 H new ATOM 0 HG12 VAL A 92 35.653 8.992 22.733 1.00 31.55 H new ATOM 0 HG13 VAL A 92 37.092 9.509 21.823 1.00 31.55 H new ATOM 0 HG21 VAL A 92 35.586 11.493 20.004 1.00 62.44 H new ATOM 0 HG22 VAL A 92 36.785 10.324 19.403 1.00 62.44 H new ATOM 0 HG23 VAL A 92 35.143 10.346 18.717 1.00 62.44 H new ATOM 1374 N ILE A 93 33.640 7.670 18.620 1.00 4.21 N ATOM 1375 CA ILE A 93 33.005 7.551 17.314 1.00 55.21 C ATOM 1376 C ILE A 93 31.586 8.109 17.340 1.00 13.53 C ATOM 1377 O ILE A 93 30.727 7.616 18.072 1.00 41.22 O ATOM 1378 CB ILE A 93 32.959 6.086 16.841 1.00 11.13 C ATOM 1379 CG1 ILE A 93 32.642 5.158 18.016 1.00 43.11 C ATOM 1380 CG2 ILE A 93 34.279 5.697 16.193 1.00 3.41 C ATOM 1381 CD1 ILE A 93 31.716 4.018 17.653 1.00 43.41 C ATOM 0 H ILE A 93 33.010 7.531 19.410 1.00 4.21 H new ATOM 0 HA ILE A 93 33.609 8.131 16.616 1.00 55.21 H new ATOM 0 HB ILE A 93 32.168 5.984 16.098 1.00 11.13 H new ATOM 0 HG12 ILE A 93 33.574 4.748 18.407 1.00 43.11 H new ATOM 0 HG13 ILE A 93 32.190 5.742 18.818 1.00 43.11 H new ATOM 0 HG21 ILE A 93 34.231 4.659 15.864 1.00 3.41 H new ATOM 0 HG22 ILE A 93 34.467 6.342 15.334 1.00 3.41 H new ATOM 0 HG23 ILE A 93 35.087 5.811 16.916 1.00 3.41 H new ATOM 0 HD11 ILE A 93 31.535 3.402 18.534 1.00 43.41 H new ATOM 0 HD12 ILE A 93 30.770 4.419 17.290 1.00 43.41 H new ATOM 0 HD13 ILE A 93 32.175 3.411 16.873 1.00 43.41 H new ATOM 1393 N ASP A 94 31.346 9.140 16.537 1.00 63.45 N ATOM 1394 CA ASP A 94 30.030 9.764 16.465 1.00 63.11 C ATOM 1395 C ASP A 94 29.264 9.278 15.238 1.00 23.05 C ATOM 1396 O ASP A 94 29.702 9.471 14.105 1.00 61.54 O ATOM 1397 CB ASP A 94 30.166 11.287 16.426 1.00 21.14 C ATOM 1398 CG ASP A 94 31.401 11.777 17.157 1.00 60.41 C ATOM 1399 OD1 ASP A 94 32.514 11.621 16.612 1.00 40.33 O ATOM 1400 OD2 ASP A 94 31.254 12.316 18.273 1.00 5.14 O ATOM 0 H ASP A 94 32.046 9.561 15.927 1.00 63.45 H new ATOM 0 HA ASP A 94 29.471 9.479 17.356 1.00 63.11 H new ATOM 0 HB2 ASP A 94 30.206 11.619 15.389 1.00 21.14 H new ATOM 0 HB3 ASP A 94 29.280 11.740 16.872 1.00 21.14 H new ATOM 1405 N ALA A 95 28.119 8.646 15.474 1.00 1.23 N ATOM 1406 CA ALA A 95 27.292 8.133 14.389 1.00 10.52 C ATOM 1407 C ALA A 95 26.301 9.188 13.909 1.00 43.45 C ATOM 1408 O ALA A 95 25.378 9.561 14.631 1.00 33.14 O ATOM 1409 CB ALA A 95 26.555 6.879 14.835 1.00 63.14 C ATOM 0 H ALA A 95 27.743 8.477 16.407 1.00 1.23 H new ATOM 0 HA ALA A 95 27.946 7.880 13.555 1.00 10.52 H new ATOM 0 HB1 ALA A 95 25.941 6.507 14.015 1.00 63.14 H new ATOM 0 HB2 ALA A 95 27.278 6.115 15.123 1.00 63.14 H new ATOM 0 HB3 ALA A 95 25.918 7.115 15.687 1.00 63.14 H new ATOM 1415 N MET A 96 26.500 9.666 12.684 1.00 4.35 N ATOM 1416 CA MET A 96 25.623 10.679 12.108 1.00 62.53 C ATOM 1417 C MET A 96 24.876 10.125 10.899 1.00 54.12 C ATOM 1418 O MET A 96 25.343 9.197 10.239 1.00 43.24 O ATOM 1419 CB MET A 96 26.431 11.913 11.701 1.00 21.54 C ATOM 1420 CG MET A 96 25.955 13.195 12.363 1.00 2.53 C ATOM 1421 SD MET A 96 26.685 14.670 11.625 1.00 32.10 S ATOM 1422 CE MET A 96 25.893 15.957 12.586 1.00 11.13 C ATOM 0 H MET A 96 27.260 9.368 12.072 1.00 4.35 H new ATOM 0 HA MET A 96 24.893 10.966 12.865 1.00 62.53 H new ATOM 0 HB2 MET A 96 27.479 11.751 11.953 1.00 21.54 H new ATOM 0 HB3 MET A 96 26.378 12.031 10.619 1.00 21.54 H new ATOM 0 HG2 MET A 96 24.869 13.256 12.289 1.00 2.53 H new ATOM 0 HG3 MET A 96 26.201 13.164 13.424 1.00 2.53 H new ATOM 0 HE1 MET A 96 26.243 16.932 12.247 1.00 11.13 H new ATOM 0 HE2 MET A 96 24.812 15.895 12.457 1.00 11.13 H new ATOM 0 HE3 MET A 96 26.141 15.829 13.640 1.00 11.13 H new ATOM 1432 N VAL A 97 23.711 10.700 10.614 1.00 4.22 N ATOM 1433 CA VAL A 97 22.900 10.265 9.484 1.00 34.21 C ATOM 1434 C VAL A 97 23.297 10.997 8.207 1.00 0.14 C ATOM 1435 O VAL A 97 23.372 12.225 8.183 1.00 41.11 O ATOM 1436 CB VAL A 97 21.400 10.494 9.749 1.00 52.41 C ATOM 1437 CG1 VAL A 97 20.912 9.595 10.874 1.00 22.34 C ATOM 1438 CG2 VAL A 97 21.134 11.957 10.071 1.00 11.04 C ATOM 0 H VAL A 97 23.308 11.468 11.151 1.00 4.22 H new ATOM 0 HA VAL A 97 23.081 9.198 9.358 1.00 34.21 H new ATOM 0 HB VAL A 97 20.846 10.237 8.846 1.00 52.41 H new ATOM 0 HG11 VAL A 97 19.850 9.771 11.046 1.00 22.34 H new ATOM 0 HG12 VAL A 97 21.066 8.552 10.599 1.00 22.34 H new ATOM 0 HG13 VAL A 97 21.469 9.817 11.784 1.00 22.34 H new ATOM 0 HG21 VAL A 97 20.069 12.101 10.256 1.00 11.04 H new ATOM 0 HG22 VAL A 97 21.698 12.243 10.959 1.00 11.04 H new ATOM 0 HG23 VAL A 97 21.444 12.577 9.230 1.00 11.04 H new