USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 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+ 176:sc= 0 (180deg=-0.0244) USER MOD Single : A 33 ASN : amide:sc= -0.36 K(o=-0.36,f=-5.1!) USER MOD Single : A 39 MET CE :methyl -163:sc= -2.76 (180deg=-3.62!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -110:sc= -0.395 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 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 67:sc= 1.22 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.753 USER MOD Single : A 57 CYS SG : rot -84:sc= -0.502 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= -0.093 K(o=-0.093,f=-1.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 85:sc= 0.38 USER MOD Single : A 79 THR OG1 : rot -35:sc= 0.63 USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= -0.127 (180deg=-1.7!) USER MOD Single : A 81 THR OG1 : rot -110:sc= -0.553 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 46.491 2.780 28.065 1.00 61.40 N ATOM 299 CA ALA A 25 45.883 4.009 27.572 1.00 14.14 C ATOM 300 C ALA A 25 44.362 3.898 27.550 1.00 12.31 C ATOM 301 O ALA A 25 43.807 2.803 27.652 1.00 43.21 O ATOM 302 CB ALA A 25 46.410 4.340 26.184 1.00 20.31 C ATOM 0 HA ALA A 25 46.153 4.817 28.252 1.00 14.14 H new ATOM 0 HB1 ALA A 25 45.947 5.261 25.829 1.00 20.31 H new ATOM 0 HB2 ALA A 25 47.491 4.471 26.227 1.00 20.31 H new ATOM 0 HB3 ALA A 25 46.170 3.526 25.500 1.00 20.31 H new ATOM 308 N LEU A 26 43.692 5.038 27.417 1.00 23.01 N ATOM 309 CA LEU A 26 42.234 5.069 27.382 1.00 2.11 C ATOM 310 C LEU A 26 41.733 5.648 26.063 1.00 45.41 C ATOM 311 O LEU A 26 42.188 6.705 25.625 1.00 54.43 O ATOM 312 CB LEU A 26 41.694 5.893 28.552 1.00 51.30 C ATOM 313 CG LEU A 26 40.680 5.191 29.456 1.00 50.11 C ATOM 314 CD1 LEU A 26 39.401 4.890 28.690 1.00 20.23 C ATOM 315 CD2 LEU A 26 41.273 3.913 30.031 1.00 42.21 C ATOM 0 H LEU A 26 44.135 5.953 27.332 1.00 23.01 H new ATOM 0 HA LEU A 26 41.871 4.045 27.469 1.00 2.11 H new ATOM 0 HB2 LEU A 26 42.537 6.213 29.165 1.00 51.30 H new ATOM 0 HB3 LEU A 26 41.231 6.795 28.152 1.00 51.30 H new ATOM 0 HG LEU A 26 40.436 5.858 30.283 1.00 50.11 H new ATOM 0 HD11 LEU A 26 38.691 4.390 29.349 1.00 20.23 H new ATOM 0 HD12 LEU A 26 38.966 5.821 28.328 1.00 20.23 H new ATOM 0 HD13 LEU A 26 39.628 4.242 27.843 1.00 20.23 H new ATOM 0 HD21 LEU A 26 40.537 3.427 30.672 1.00 42.21 H new ATOM 0 HD22 LEU A 26 41.547 3.241 29.218 1.00 42.21 H new ATOM 0 HD23 LEU A 26 42.160 4.155 30.616 1.00 42.21 H new ATOM 327 N VAL A 27 40.793 4.950 25.435 1.00 72.12 N ATOM 328 CA VAL A 27 40.227 5.396 24.167 1.00 4.33 C ATOM 329 C VAL A 27 38.717 5.195 24.138 1.00 35.42 C ATOM 330 O VAL A 27 38.215 4.132 24.503 1.00 71.45 O ATOM 331 CB VAL A 27 40.857 4.648 22.977 1.00 2.23 C ATOM 332 CG1 VAL A 27 39.847 4.489 21.851 1.00 31.14 C ATOM 333 CG2 VAL A 27 42.101 5.375 22.490 1.00 42.34 C ATOM 0 H VAL A 27 40.407 4.073 25.784 1.00 72.12 H new ATOM 0 HA VAL A 27 40.450 6.459 24.077 1.00 4.33 H new ATOM 0 HB VAL A 27 41.152 3.653 23.310 1.00 2.23 H new ATOM 0 HG11 VAL A 27 40.310 3.958 21.019 1.00 31.14 H new ATOM 0 HG12 VAL A 27 38.988 3.922 22.210 1.00 31.14 H new ATOM 0 HG13 VAL A 27 39.518 5.473 21.516 1.00 31.14 H new ATOM 0 HG21 VAL A 27 42.533 4.833 21.649 1.00 42.34 H new ATOM 0 HG22 VAL A 27 41.833 6.383 22.173 1.00 42.34 H new ATOM 0 HG23 VAL A 27 42.830 5.431 23.299 1.00 42.34 H new ATOM 343 N ALA A 28 37.996 6.223 23.702 1.00 61.44 N ATOM 344 CA ALA A 28 36.542 6.158 23.622 1.00 21.52 C ATOM 345 C ALA A 28 36.089 5.657 22.255 1.00 52.11 C ATOM 346 O ALA A 28 36.589 6.103 21.222 1.00 23.12 O ATOM 347 CB ALA A 28 35.936 7.522 23.914 1.00 1.25 C ATOM 0 H ALA A 28 38.396 7.111 23.399 1.00 61.44 H new ATOM 0 HA ALA A 28 36.193 5.449 24.373 1.00 21.52 H new ATOM 0 HB1 ALA A 28 34.850 7.459 23.851 1.00 1.25 H new ATOM 0 HB2 ALA A 28 36.223 7.841 24.916 1.00 1.25 H new ATOM 0 HB3 ALA A 28 36.300 8.246 23.185 1.00 1.25 H new ATOM 353 N VAL A 29 35.139 4.727 22.255 1.00 13.52 N ATOM 354 CA VAL A 29 34.618 4.167 21.014 1.00 35.55 C ATOM 355 C VAL A 29 33.113 4.387 20.901 1.00 43.12 C ATOM 356 O VAL A 29 32.372 4.195 21.865 1.00 54.05 O ATOM 357 CB VAL A 29 34.913 2.658 20.913 1.00 43.45 C ATOM 358 CG1 VAL A 29 34.318 2.082 19.637 1.00 41.42 C ATOM 359 CG2 VAL A 29 36.412 2.405 20.973 1.00 30.43 C ATOM 0 H VAL A 29 34.715 4.346 23.101 1.00 13.52 H new ATOM 0 HA VAL A 29 35.121 4.685 20.197 1.00 35.55 H new ATOM 0 HB VAL A 29 34.448 2.156 21.761 1.00 43.45 H new ATOM 0 HG11 VAL A 29 34.536 1.015 19.583 1.00 41.42 H new ATOM 0 HG12 VAL A 29 33.238 2.232 19.639 1.00 41.42 H new ATOM 0 HG13 VAL A 29 34.752 2.586 18.773 1.00 41.42 H new ATOM 0 HG21 VAL A 29 36.603 1.334 20.900 1.00 30.43 H new ATOM 0 HG22 VAL A 29 36.901 2.918 20.145 1.00 30.43 H new ATOM 0 HG23 VAL A 29 36.807 2.781 21.917 1.00 30.43 H new ATOM 369 N LYS A 30 32.668 4.791 19.716 1.00 41.40 N ATOM 370 CA LYS A 30 31.251 5.037 19.473 1.00 25.05 C ATOM 371 C LYS A 30 30.755 4.225 18.281 1.00 12.43 C ATOM 372 O LYS A 30 31.227 4.401 17.158 1.00 22.31 O ATOM 373 CB LYS A 30 31.006 6.527 19.227 1.00 0.32 C ATOM 374 CG LYS A 30 32.013 7.162 18.283 1.00 33.32 C ATOM 375 CD LYS A 30 32.917 8.144 19.010 1.00 74.44 C ATOM 376 CE LYS A 30 32.537 9.584 18.701 1.00 64.23 C ATOM 377 NZ LYS A 30 31.155 9.903 19.154 1.00 63.11 N ATOM 0 H LYS A 30 33.269 4.955 18.908 1.00 41.40 H new ATOM 0 HA LYS A 30 30.696 4.726 20.358 1.00 25.05 H new ATOM 0 HB2 LYS A 30 30.004 6.659 18.818 1.00 0.32 H new ATOM 0 HB3 LYS A 30 31.033 7.053 20.181 1.00 0.32 H new ATOM 0 HG2 LYS A 30 32.619 6.384 17.819 1.00 33.32 H new ATOM 0 HG3 LYS A 30 31.486 7.677 17.480 1.00 33.32 H new ATOM 0 HD2 LYS A 30 32.853 7.972 20.084 1.00 74.44 H new ATOM 0 HD3 LYS A 30 33.953 7.970 18.720 1.00 74.44 H new ATOM 0 HE2 LYS A 30 33.243 10.258 19.187 1.00 64.23 H new ATOM 0 HE3 LYS A 30 32.617 9.758 17.628 1.00 64.23 H new ATOM 0 HZ1 LYS A 30 30.959 10.911 18.987 1.00 63.11 H new ATOM 0 HZ2 LYS A 30 30.473 9.325 18.623 1.00 63.11 H new ATOM 0 HZ3 LYS A 30 31.066 9.697 20.170 1.00 63.11 H new ATOM 391 N VAL A 31 29.798 3.337 18.533 1.00 41.41 N ATOM 392 CA VAL A 31 29.235 2.501 17.480 1.00 65.33 C ATOM 393 C VAL A 31 27.866 3.010 17.046 1.00 51.54 C ATOM 394 O VAL A 31 26.957 3.153 17.863 1.00 12.44 O ATOM 395 CB VAL A 31 29.105 1.036 17.937 1.00 74.44 C ATOM 396 CG1 VAL A 31 28.364 0.954 19.262 1.00 34.34 C ATOM 397 CG2 VAL A 31 28.402 0.207 16.872 1.00 65.32 C ATOM 0 H VAL A 31 29.397 3.178 19.457 1.00 41.41 H new ATOM 0 HA VAL A 31 29.922 2.551 16.635 1.00 65.33 H new ATOM 0 HB VAL A 31 30.105 0.628 18.082 1.00 74.44 H new ATOM 0 HG11 VAL A 31 28.282 -0.089 19.569 1.00 34.34 H new ATOM 0 HG12 VAL A 31 28.912 1.513 20.020 1.00 34.34 H new ATOM 0 HG13 VAL A 31 27.366 1.378 19.148 1.00 34.34 H new ATOM 0 HG21 VAL A 31 28.318 -0.826 17.211 1.00 65.32 H new ATOM 0 HG22 VAL A 31 27.406 0.612 16.694 1.00 65.32 H new ATOM 0 HG23 VAL A 31 28.977 0.240 15.947 1.00 65.32 H new ATOM 407 N VAL A 32 27.725 3.283 15.752 1.00 14.23 N ATOM 408 CA VAL A 32 26.465 3.776 15.208 1.00 71.20 C ATOM 409 C VAL A 32 25.853 2.769 14.240 1.00 4.10 C ATOM 410 O VAL A 32 26.567 2.077 13.516 1.00 62.32 O ATOM 411 CB VAL A 32 26.655 5.120 14.481 1.00 42.21 C ATOM 412 CG1 VAL A 32 27.709 4.994 13.391 1.00 31.32 C ATOM 413 CG2 VAL A 32 25.334 5.604 13.903 1.00 41.52 C ATOM 0 H VAL A 32 28.468 3.171 15.062 1.00 14.23 H new ATOM 0 HA VAL A 32 25.791 3.920 16.052 1.00 71.20 H new ATOM 0 HB VAL A 32 27.002 5.858 15.204 1.00 42.21 H new ATOM 0 HG11 VAL A 32 27.829 5.954 12.888 1.00 31.32 H new ATOM 0 HG12 VAL A 32 28.658 4.696 13.836 1.00 31.32 H new ATOM 0 HG13 VAL A 32 27.395 4.242 12.667 1.00 31.32 H new ATOM 0 HG21 VAL A 32 25.487 6.555 13.393 1.00 41.52 H new ATOM 0 HG22 VAL A 32 24.956 4.868 13.193 1.00 41.52 H new ATOM 0 HG23 VAL A 32 24.611 5.736 14.708 1.00 41.52 H new ATOM 423 N ASN A 33 24.526 2.694 14.233 1.00 25.00 N ATOM 424 CA ASN A 33 23.818 1.771 13.354 1.00 52.45 C ATOM 425 C ASN A 33 23.008 2.531 12.307 1.00 62.00 C ATOM 426 O ASN A 33 22.586 3.664 12.536 1.00 20.13 O ATOM 427 CB ASN A 33 22.894 0.864 14.169 1.00 4.11 C ATOM 428 CG ASN A 33 23.661 -0.041 15.114 1.00 34.31 C ATOM 429 OD1 ASN A 33 24.717 0.329 15.627 1.00 52.33 O ATOM 430 ND2 ASN A 33 23.130 -1.236 15.349 1.00 44.05 N ATOM 0 H ASN A 33 23.920 3.261 14.826 1.00 25.00 H new ATOM 0 HA ASN A 33 24.558 1.157 12.841 1.00 52.45 H new ATOM 0 HB2 ASN A 33 22.199 1.478 14.742 1.00 4.11 H new ATOM 0 HB3 ASN A 33 22.297 0.255 13.491 1.00 4.11 H new ATOM 0 HD21 ASN A 33 23.600 -1.888 15.977 1.00 44.05 H new ATOM 0 HD22 ASN A 33 22.252 -1.501 14.902 1.00 44.05 H new ATOM 437 N ALA A 34 22.795 1.898 11.158 1.00 43.32 N ATOM 438 CA ALA A 34 22.034 2.513 10.077 1.00 24.21 C ATOM 439 C ALA A 34 20.598 2.791 10.506 1.00 12.14 C ATOM 440 O ALA A 34 19.939 3.678 9.964 1.00 54.11 O ATOM 441 CB ALA A 34 22.056 1.622 8.844 1.00 74.02 C ATOM 0 H ALA A 34 23.139 0.960 10.952 1.00 43.32 H new ATOM 0 HA ALA A 34 22.503 3.466 9.832 1.00 24.21 H new ATOM 0 HB1 ALA A 34 21.484 2.093 8.044 1.00 74.02 H new ATOM 0 HB2 ALA A 34 23.086 1.478 8.517 1.00 74.02 H new ATOM 0 HB3 ALA A 34 21.614 0.655 9.086 1.00 74.02 H new ATOM 447 N ASP A 35 20.119 2.028 11.482 1.00 33.32 N ATOM 448 CA ASP A 35 18.760 2.193 11.985 1.00 74.44 C ATOM 449 C ASP A 35 18.666 3.400 12.912 1.00 53.43 C ATOM 450 O ASP A 35 17.597 3.987 13.077 1.00 42.41 O ATOM 451 CB ASP A 35 18.309 0.931 12.723 1.00 45.00 C ATOM 452 CG ASP A 35 17.102 0.281 12.076 1.00 43.01 C ATOM 453 OD1 ASP A 35 17.240 -0.237 10.948 1.00 65.12 O ATOM 454 OD2 ASP A 35 16.020 0.290 12.698 1.00 73.32 O ATOM 0 H ASP A 35 20.652 1.289 11.941 1.00 33.32 H new ATOM 0 HA ASP A 35 18.102 2.360 11.132 1.00 74.44 H new ATOM 0 HB2 ASP A 35 19.132 0.216 12.750 1.00 45.00 H new ATOM 0 HB3 ASP A 35 18.072 1.183 13.756 1.00 45.00 H new ATOM 459 N GLY A 36 19.793 3.766 13.516 1.00 75.51 N ATOM 460 CA GLY A 36 19.815 4.901 14.420 1.00 64.51 C ATOM 461 C GLY A 36 20.457 4.568 15.752 1.00 22.22 C ATOM 462 O GLY A 36 21.123 5.409 16.355 1.00 31.13 O ATOM 0 H GLY A 36 20.691 3.297 13.395 1.00 75.51 H new ATOM 0 HA2 GLY A 36 20.358 5.723 13.954 1.00 64.51 H new ATOM 0 HA3 GLY A 36 18.795 5.248 14.588 1.00 64.51 H new ATOM 466 N ALA A 37 20.256 3.338 16.213 1.00 31.35 N ATOM 467 CA ALA A 37 20.820 2.896 17.483 1.00 64.14 C ATOM 468 C ALA A 37 22.321 3.161 17.538 1.00 0.10 C ATOM 469 O ALA A 37 23.079 2.665 16.705 1.00 32.33 O ATOM 470 CB ALA A 37 20.535 1.417 17.701 1.00 43.32 C ATOM 0 H ALA A 37 19.707 2.630 15.726 1.00 31.35 H new ATOM 0 HA ALA A 37 20.347 3.467 18.281 1.00 64.14 H new ATOM 0 HB1 ALA A 37 20.962 1.101 18.653 1.00 43.32 H new ATOM 0 HB2 ALA A 37 19.458 1.252 17.714 1.00 43.32 H new ATOM 0 HB3 ALA A 37 20.981 0.837 16.893 1.00 43.32 H new ATOM 476 N GLU A 38 22.743 3.947 18.524 1.00 75.01 N ATOM 477 CA GLU A 38 24.153 4.279 18.685 1.00 23.45 C ATOM 478 C GLU A 38 24.521 4.386 20.163 1.00 63.35 C ATOM 479 O GLU A 38 23.731 4.862 20.977 1.00 71.22 O ATOM 480 CB GLU A 38 24.476 5.593 17.972 1.00 62.14 C ATOM 481 CG GLU A 38 25.924 6.027 18.122 1.00 44.42 C ATOM 482 CD GLU A 38 26.150 7.465 17.694 1.00 73.40 C ATOM 483 OE1 GLU A 38 25.315 7.993 16.930 1.00 11.20 O ATOM 484 OE2 GLU A 38 27.160 8.060 18.122 1.00 10.33 O ATOM 0 H GLU A 38 22.129 4.365 19.223 1.00 75.01 H new ATOM 0 HA GLU A 38 24.742 3.478 18.238 1.00 23.45 H new ATOM 0 HB2 GLU A 38 24.245 5.488 16.912 1.00 62.14 H new ATOM 0 HB3 GLU A 38 23.828 6.377 18.363 1.00 62.14 H new ATOM 0 HG2 GLU A 38 26.229 5.909 19.162 1.00 44.42 H new ATOM 0 HG3 GLU A 38 26.559 5.371 17.527 1.00 44.42 H new ATOM 491 N MET A 39 25.727 3.939 20.500 1.00 75.31 N ATOM 492 CA MET A 39 26.200 3.985 21.878 1.00 31.35 C ATOM 493 C MET A 39 27.722 4.073 21.928 1.00 51.41 C ATOM 494 O MET A 39 28.418 3.411 21.158 1.00 54.02 O ATOM 495 CB MET A 39 25.724 2.749 22.645 1.00 3.11 C ATOM 496 CG MET A 39 25.958 1.445 21.901 1.00 61.45 C ATOM 497 SD MET A 39 24.534 0.943 20.915 1.00 62.50 S ATOM 498 CE MET A 39 25.026 -0.709 20.427 1.00 72.23 C ATOM 0 H MET A 39 26.393 3.541 19.838 1.00 75.31 H new ATOM 0 HA MET A 39 25.786 4.877 22.348 1.00 31.35 H new ATOM 0 HB2 MET A 39 26.238 2.707 23.605 1.00 3.11 H new ATOM 0 HB3 MET A 39 24.660 2.851 22.857 1.00 3.11 H new ATOM 0 HG2 MET A 39 26.826 1.553 21.250 1.00 61.45 H new ATOM 0 HG3 MET A 39 26.194 0.659 22.618 1.00 61.45 H new ATOM 0 HE1 MET A 39 24.415 -1.037 19.586 1.00 72.23 H new ATOM 0 HE2 MET A 39 26.076 -0.704 20.133 1.00 72.23 H new ATOM 0 HE3 MET A 39 24.887 -1.392 21.265 1.00 72.23 H new ATOM 508 N PHE A 40 28.233 4.896 22.838 1.00 30.10 N ATOM 509 CA PHE A 40 29.673 5.072 22.987 1.00 71.04 C ATOM 510 C PHE A 40 30.098 4.873 24.438 1.00 22.44 C ATOM 511 O PHE A 40 29.304 5.059 25.361 1.00 63.21 O ATOM 512 CB PHE A 40 30.090 6.464 22.508 1.00 40.03 C ATOM 513 CG PHE A 40 29.674 7.568 23.438 1.00 74.43 C ATOM 514 CD1 PHE A 40 28.366 8.026 23.449 1.00 70.34 C ATOM 515 CD2 PHE A 40 30.590 8.146 24.301 1.00 15.51 C ATOM 516 CE1 PHE A 40 27.981 9.042 24.303 1.00 75.42 C ATOM 517 CE2 PHE A 40 30.210 9.162 25.158 1.00 52.51 C ATOM 518 CZ PHE A 40 28.903 9.610 25.159 1.00 21.23 C ATOM 0 H PHE A 40 27.671 5.451 23.483 1.00 30.10 H new ATOM 0 HA PHE A 40 30.171 4.320 22.375 1.00 71.04 H new ATOM 0 HB2 PHE A 40 31.173 6.489 22.389 1.00 40.03 H new ATOM 0 HB3 PHE A 40 29.657 6.646 21.524 1.00 40.03 H new ATOM 0 HD1 PHE A 40 27.640 7.584 22.783 1.00 70.34 H new ATOM 0 HD2 PHE A 40 31.613 7.799 24.305 1.00 15.51 H new ATOM 0 HE1 PHE A 40 26.959 9.391 24.301 1.00 75.42 H new ATOM 0 HE2 PHE A 40 30.934 9.605 25.826 1.00 52.51 H new ATOM 0 HZ PHE A 40 28.603 10.403 25.828 1.00 21.23 H new ATOM 528 N PHE A 41 31.357 4.492 24.633 1.00 15.11 N ATOM 529 CA PHE A 41 31.888 4.265 25.972 1.00 43.51 C ATOM 530 C PHE A 41 33.412 4.341 25.972 1.00 43.41 C ATOM 531 O PHE A 41 34.057 4.083 24.956 1.00 42.25 O ATOM 532 CB PHE A 41 31.434 2.903 26.500 1.00 3.12 C ATOM 533 CG PHE A 41 31.014 2.929 27.942 1.00 53.02 C ATOM 534 CD1 PHE A 41 29.886 3.631 28.336 1.00 71.22 C ATOM 535 CD2 PHE A 41 31.747 2.252 28.903 1.00 33.02 C ATOM 536 CE1 PHE A 41 29.496 3.656 29.662 1.00 51.44 C ATOM 537 CE2 PHE A 41 31.361 2.274 30.230 1.00 23.43 C ATOM 538 CZ PHE A 41 30.235 2.978 30.610 1.00 23.42 C ATOM 0 H PHE A 41 32.028 4.334 23.881 1.00 15.11 H new ATOM 0 HA PHE A 41 31.502 5.047 26.626 1.00 43.51 H new ATOM 0 HB2 PHE A 41 30.601 2.546 25.894 1.00 3.12 H new ATOM 0 HB3 PHE A 41 32.246 2.186 26.379 1.00 3.12 H new ATOM 0 HD1 PHE A 41 29.305 4.165 27.599 1.00 71.22 H new ATOM 0 HD2 PHE A 41 32.629 1.701 28.612 1.00 33.02 H new ATOM 0 HE1 PHE A 41 28.614 4.206 29.956 1.00 51.44 H new ATOM 0 HE2 PHE A 41 31.940 1.741 30.970 1.00 23.43 H new ATOM 0 HZ PHE A 41 29.934 2.998 31.647 1.00 23.42 H new ATOM 548 N ARG A 42 33.981 4.698 27.119 1.00 50.11 N ATOM 549 CA ARG A 42 35.429 4.810 27.252 1.00 55.25 C ATOM 550 C ARG A 42 36.033 3.498 27.742 1.00 72.53 C ATOM 551 O ARG A 42 35.662 2.990 28.801 1.00 65.35 O ATOM 552 CB ARG A 42 35.787 5.941 28.217 1.00 5.11 C ATOM 553 CG ARG A 42 35.543 7.329 27.647 1.00 21.14 C ATOM 554 CD ARG A 42 35.845 8.412 28.671 1.00 45.44 C ATOM 555 NE ARG A 42 35.170 9.668 28.354 1.00 45.11 N ATOM 556 CZ ARG A 42 35.537 10.845 28.850 1.00 73.22 C ATOM 557 NH1 ARG A 42 36.567 10.926 29.681 1.00 54.12 N ATOM 558 NH2 ARG A 42 34.873 11.943 28.514 1.00 15.41 N ATOM 0 H ARG A 42 33.461 4.915 27.970 1.00 50.11 H new ATOM 0 HA ARG A 42 35.843 5.035 26.269 1.00 55.25 H new ATOM 0 HB2 ARG A 42 35.204 5.825 29.131 1.00 5.11 H new ATOM 0 HB3 ARG A 42 36.837 5.851 28.495 1.00 5.11 H new ATOM 0 HG2 ARG A 42 36.167 7.476 26.765 1.00 21.14 H new ATOM 0 HG3 ARG A 42 34.506 7.413 27.322 1.00 21.14 H new ATOM 0 HD2 ARG A 42 35.535 8.073 29.659 1.00 45.44 H new ATOM 0 HD3 ARG A 42 36.921 8.580 28.715 1.00 45.44 H new ATOM 0 HE ARG A 42 34.374 9.640 27.717 1.00 45.11 H new ATOM 0 HH11 ARG A 42 37.080 10.084 29.941 1.00 54.12 H new ATOM 0 HH12 ARG A 42 36.846 11.831 30.060 1.00 54.12 H new ATOM 0 HH21 ARG A 42 34.080 11.884 27.875 1.00 15.41 H new ATOM 0 HH22 ARG A 42 35.155 12.846 28.895 1.00 15.41 H new ATOM 572 N ILE A 43 36.963 2.954 26.964 1.00 23.04 N ATOM 573 CA ILE A 43 37.619 1.701 27.320 1.00 54.51 C ATOM 574 C ILE A 43 39.068 1.685 26.846 1.00 51.42 C ATOM 575 O ILE A 43 39.423 2.353 25.874 1.00 75.22 O ATOM 576 CB ILE A 43 36.881 0.490 26.720 1.00 14.01 C ATOM 577 CG1 ILE A 43 35.374 0.613 26.960 1.00 65.11 C ATOM 578 CG2 ILE A 43 37.414 -0.804 27.317 1.00 12.32 C ATOM 579 CD1 ILE A 43 34.572 -0.517 26.353 1.00 51.52 C ATOM 0 H ILE A 43 37.279 3.361 26.084 1.00 23.04 H new ATOM 0 HA ILE A 43 37.594 1.629 28.407 1.00 54.51 H new ATOM 0 HB ILE A 43 37.058 0.471 25.645 1.00 14.01 H new ATOM 0 HG12 ILE A 43 35.187 0.645 28.033 1.00 65.11 H new ATOM 0 HG13 ILE A 43 35.024 1.559 26.547 1.00 65.11 H new ATOM 0 HG21 ILE A 43 36.883 -1.651 26.883 1.00 12.32 H new ATOM 0 HG22 ILE A 43 38.478 -0.894 27.100 1.00 12.32 H new ATOM 0 HG23 ILE A 43 37.263 -0.796 28.397 1.00 12.32 H new ATOM 0 HD11 ILE A 43 33.513 -0.365 26.562 1.00 51.52 H new ATOM 0 HD12 ILE A 43 34.730 -0.537 25.275 1.00 51.52 H new ATOM 0 HD13 ILE A 43 34.894 -1.465 26.784 1.00 51.52 H new ATOM 591 N LYS A 44 39.902 0.917 27.538 1.00 44.14 N ATOM 592 CA LYS A 44 41.314 0.810 27.187 1.00 54.01 C ATOM 593 C LYS A 44 41.483 0.475 25.708 1.00 11.43 C ATOM 594 O LYS A 44 40.806 -0.407 25.181 1.00 63.15 O ATOM 595 CB LYS A 44 41.994 -0.260 28.044 1.00 74.11 C ATOM 596 CG LYS A 44 43.495 -0.070 28.177 1.00 54.41 C ATOM 597 CD LYS A 44 44.169 -1.318 28.720 1.00 22.11 C ATOM 598 CE LYS A 44 44.376 -1.230 30.225 1.00 74.35 C ATOM 599 NZ LYS A 44 44.411 -2.577 30.859 1.00 31.10 N ATOM 0 H LYS A 44 39.625 0.359 28.346 1.00 44.14 H new ATOM 0 HA LYS A 44 41.785 1.774 27.379 1.00 54.01 H new ATOM 0 HB2 LYS A 44 41.546 -0.256 29.038 1.00 74.11 H new ATOM 0 HB3 LYS A 44 41.797 -1.240 27.610 1.00 74.11 H new ATOM 0 HG2 LYS A 44 43.919 0.179 27.204 1.00 54.41 H new ATOM 0 HG3 LYS A 44 43.699 0.772 28.839 1.00 54.41 H new ATOM 0 HD2 LYS A 44 43.561 -2.192 28.486 1.00 22.11 H new ATOM 0 HD3 LYS A 44 45.131 -1.457 28.227 1.00 22.11 H new ATOM 0 HE2 LYS A 44 45.309 -0.706 30.433 1.00 74.35 H new ATOM 0 HE3 LYS A 44 43.573 -0.641 30.668 1.00 74.35 H new ATOM 0 HZ1 LYS A 44 44.554 -2.475 31.884 1.00 31.10 H new ATOM 0 HZ2 LYS A 44 43.511 -3.068 30.682 1.00 31.10 H new ATOM 0 HZ3 LYS A 44 45.193 -3.131 30.454 1.00 31.10 H new ATOM 613 N SER A 45 42.391 1.185 25.046 1.00 72.02 N ATOM 614 CA SER A 45 42.647 0.964 23.627 1.00 2.44 C ATOM 615 C SER A 45 42.939 -0.507 23.350 1.00 23.25 C ATOM 616 O SER A 45 42.606 -1.028 22.286 1.00 50.11 O ATOM 617 CB SER A 45 43.822 1.826 23.160 1.00 53.03 C ATOM 618 OG SER A 45 43.425 2.713 22.128 1.00 13.03 O ATOM 0 H SER A 45 42.961 1.917 25.469 1.00 72.02 H new ATOM 0 HA SER A 45 41.753 1.249 23.073 1.00 2.44 H new ATOM 0 HB2 SER A 45 44.217 2.395 24.002 1.00 53.03 H new ATOM 0 HB3 SER A 45 44.628 1.185 22.803 1.00 53.03 H new ATOM 0 HG SER A 45 43.834 2.434 21.282 1.00 13.03 H new ATOM 624 N ARG A 46 43.564 -1.172 24.317 1.00 45.22 N ATOM 625 CA ARG A 46 43.903 -2.583 24.178 1.00 43.12 C ATOM 626 C ARG A 46 42.682 -3.397 23.761 1.00 13.11 C ATOM 627 O ARG A 46 42.754 -4.225 22.853 1.00 73.24 O ATOM 628 CB ARG A 46 44.467 -3.126 25.492 1.00 1.12 C ATOM 629 CG ARG A 46 45.808 -3.824 25.337 1.00 3.15 C ATOM 630 CD ARG A 46 45.739 -4.943 24.311 1.00 74.25 C ATOM 631 NE ARG A 46 44.801 -5.991 24.706 1.00 53.25 N ATOM 632 CZ ARG A 46 44.429 -6.984 23.906 1.00 63.31 C ATOM 633 NH1 ARG A 46 44.914 -7.065 22.674 1.00 21.35 N ATOM 634 NH2 ARG A 46 43.571 -7.900 24.338 1.00 45.12 N ATOM 0 H ARG A 46 43.846 -0.756 25.205 1.00 45.22 H new ATOM 0 HA ARG A 46 44.661 -2.674 23.400 1.00 43.12 H new ATOM 0 HB2 ARG A 46 44.575 -2.303 26.199 1.00 1.12 H new ATOM 0 HB3 ARG A 46 43.751 -3.825 25.924 1.00 1.12 H new ATOM 0 HG2 ARG A 46 46.564 -3.099 25.036 1.00 3.15 H new ATOM 0 HG3 ARG A 46 46.121 -4.230 26.299 1.00 3.15 H new ATOM 0 HD2 ARG A 46 45.439 -4.533 23.347 1.00 74.25 H new ATOM 0 HD3 ARG A 46 46.731 -5.375 24.179 1.00 74.25 H new ATOM 0 HE ARG A 46 44.410 -5.958 25.648 1.00 53.25 H new ATOM 0 HH11 ARG A 46 45.574 -6.364 22.339 1.00 21.35 H new ATOM 0 HH12 ARG A 46 44.627 -7.829 22.062 1.00 21.35 H new ATOM 0 HH21 ARG A 46 43.197 -7.842 25.285 1.00 45.12 H new ATOM 0 HH22 ARG A 46 43.286 -8.662 23.723 1.00 45.12 H new ATOM 648 N THR A 47 41.559 -3.156 24.432 1.00 44.00 N ATOM 649 CA THR A 47 40.323 -3.867 24.133 1.00 12.02 C ATOM 650 C THR A 47 39.116 -2.942 24.246 1.00 61.41 C ATOM 651 O THR A 47 38.962 -2.226 25.234 1.00 14.32 O ATOM 652 CB THR A 47 40.124 -5.069 25.076 1.00 41.03 C ATOM 653 OG1 THR A 47 41.380 -5.463 25.639 1.00 64.04 O ATOM 654 CG2 THR A 47 39.505 -6.243 24.332 1.00 21.04 C ATOM 0 H THR A 47 41.481 -2.474 25.186 1.00 44.00 H new ATOM 0 HA THR A 47 40.406 -4.229 23.108 1.00 12.02 H new ATOM 0 HB THR A 47 39.447 -4.768 25.875 1.00 41.03 H new ATOM 0 HG1 THR A 47 41.245 -6.226 26.238 1.00 64.04 H new ATOM 0 HG21 THR A 47 39.374 -7.080 25.018 1.00 21.04 H new ATOM 0 HG22 THR A 47 38.536 -5.948 23.929 1.00 21.04 H new ATOM 0 HG23 THR A 47 40.161 -6.543 23.515 1.00 21.04 H new ATOM 662 N ALA A 48 38.263 -2.964 23.227 1.00 34.34 N ATOM 663 CA ALA A 48 37.068 -2.130 23.214 1.00 53.41 C ATOM 664 C ALA A 48 36.048 -2.647 22.205 1.00 32.24 C ATOM 665 O ALA A 48 34.920 -2.986 22.566 1.00 72.22 O ATOM 666 CB ALA A 48 37.435 -0.686 22.902 1.00 25.53 C ATOM 0 H ALA A 48 38.378 -3.550 22.400 1.00 34.34 H new ATOM 0 HA ALA A 48 36.615 -2.173 24.204 1.00 53.41 H new ATOM 0 HB1 ALA A 48 36.533 -0.075 22.896 1.00 25.53 H new ATOM 0 HB2 ALA A 48 38.121 -0.313 23.662 1.00 25.53 H new ATOM 0 HB3 ALA A 48 37.914 -0.636 21.924 1.00 25.53 H new ATOM 672 N LEU A 49 36.450 -2.705 20.941 1.00 63.12 N ATOM 673 CA LEU A 49 35.571 -3.181 19.879 1.00 74.22 C ATOM 674 C LEU A 49 35.211 -4.649 20.087 1.00 53.22 C ATOM 675 O LEU A 49 34.169 -5.115 19.625 1.00 20.54 O ATOM 676 CB LEU A 49 36.238 -2.996 18.515 1.00 25.41 C ATOM 677 CG LEU A 49 35.443 -2.199 17.481 1.00 61.12 C ATOM 678 CD1 LEU A 49 34.000 -2.678 17.432 1.00 5.30 C ATOM 679 CD2 LEU A 49 35.503 -0.711 17.793 1.00 0.04 C ATOM 0 H LEU A 49 37.380 -2.428 20.626 1.00 63.12 H new ATOM 0 HA LEU A 49 34.654 -2.593 19.910 1.00 74.22 H new ATOM 0 HB2 LEU A 49 37.197 -2.501 18.666 1.00 25.41 H new ATOM 0 HB3 LEU A 49 36.450 -3.981 18.100 1.00 25.41 H new ATOM 0 HG LEU A 49 35.892 -2.362 16.501 1.00 61.12 H new ATOM 0 HD11 LEU A 49 33.449 -2.099 16.690 1.00 5.30 H new ATOM 0 HD12 LEU A 49 33.976 -3.733 17.160 1.00 5.30 H new ATOM 0 HD13 LEU A 49 33.539 -2.545 18.411 1.00 5.30 H new ATOM 0 HD21 LEU A 49 34.932 -0.159 17.046 1.00 0.04 H new ATOM 0 HD22 LEU A 49 35.080 -0.529 18.781 1.00 0.04 H new ATOM 0 HD23 LEU A 49 36.540 -0.377 17.775 1.00 0.04 H new ATOM 691 N LYS A 50 36.078 -5.372 20.786 1.00 5.15 N ATOM 692 CA LYS A 50 35.852 -6.786 21.060 1.00 72.12 C ATOM 693 C LYS A 50 34.704 -6.972 22.047 1.00 23.32 C ATOM 694 O LYS A 50 33.763 -7.722 21.787 1.00 31.11 O ATOM 695 CB LYS A 50 37.125 -7.430 21.614 1.00 71.03 C ATOM 696 CG LYS A 50 38.287 -7.419 20.636 1.00 60.22 C ATOM 697 CD LYS A 50 38.199 -8.574 19.652 1.00 54.53 C ATOM 698 CE LYS A 50 38.783 -9.850 20.236 1.00 23.22 C ATOM 699 NZ LYS A 50 38.746 -10.975 19.260 1.00 5.44 N ATOM 0 H LYS A 50 36.946 -5.002 21.174 1.00 5.15 H new ATOM 0 HA LYS A 50 35.585 -7.274 20.123 1.00 72.12 H new ATOM 0 HB2 LYS A 50 37.421 -6.906 22.523 1.00 71.03 H new ATOM 0 HB3 LYS A 50 36.908 -8.460 21.896 1.00 71.03 H new ATOM 0 HG2 LYS A 50 38.296 -6.475 20.091 1.00 60.22 H new ATOM 0 HG3 LYS A 50 39.227 -7.479 21.185 1.00 60.22 H new ATOM 0 HD2 LYS A 50 37.157 -8.742 19.378 1.00 54.53 H new ATOM 0 HD3 LYS A 50 38.731 -8.315 18.737 1.00 54.53 H new ATOM 0 HE2 LYS A 50 39.813 -9.670 20.544 1.00 23.22 H new ATOM 0 HE3 LYS A 50 38.227 -10.127 21.131 1.00 23.22 H new ATOM 0 HZ1 LYS A 50 39.153 -11.827 19.696 1.00 5.44 H new ATOM 0 HZ2 LYS A 50 37.761 -11.164 18.985 1.00 5.44 H new ATOM 0 HZ3 LYS A 50 39.298 -10.721 18.416 1.00 5.44 H new ATOM 713 N LYS A 51 34.788 -6.284 23.181 1.00 72.41 N ATOM 714 CA LYS A 51 33.755 -6.371 24.207 1.00 64.11 C ATOM 715 C LYS A 51 32.474 -5.682 23.749 1.00 1.52 C ATOM 716 O LYS A 51 31.376 -6.048 24.169 1.00 74.44 O ATOM 717 CB LYS A 51 34.249 -5.740 25.511 1.00 70.12 C ATOM 718 CG LYS A 51 34.179 -6.677 26.705 1.00 53.45 C ATOM 719 CD LYS A 51 34.375 -5.929 28.012 1.00 10.45 C ATOM 720 CE LYS A 51 34.594 -6.885 29.174 1.00 23.43 C ATOM 721 NZ LYS A 51 34.639 -6.171 30.480 1.00 24.22 N ATOM 0 H LYS A 51 35.561 -5.660 23.413 1.00 72.41 H new ATOM 0 HA LYS A 51 33.537 -7.425 24.380 1.00 64.11 H new ATOM 0 HB2 LYS A 51 35.280 -5.411 25.378 1.00 70.12 H new ATOM 0 HB3 LYS A 51 33.655 -4.851 25.722 1.00 70.12 H new ATOM 0 HG2 LYS A 51 33.214 -7.183 26.716 1.00 53.45 H new ATOM 0 HG3 LYS A 51 34.943 -7.449 26.608 1.00 53.45 H new ATOM 0 HD2 LYS A 51 35.231 -5.259 27.924 1.00 10.45 H new ATOM 0 HD3 LYS A 51 33.502 -5.307 28.211 1.00 10.45 H new ATOM 0 HE2 LYS A 51 33.793 -7.624 29.192 1.00 23.43 H new ATOM 0 HE3 LYS A 51 35.527 -7.429 29.025 1.00 23.43 H new ATOM 0 HZ1 LYS A 51 34.790 -6.858 31.246 1.00 24.22 H new ATOM 0 HZ2 LYS A 51 35.419 -5.483 30.473 1.00 24.22 H new ATOM 0 HZ3 LYS A 51 33.739 -5.672 30.634 1.00 24.22 H new ATOM 735 N LEU A 52 32.621 -4.682 22.886 1.00 24.42 N ATOM 736 CA LEU A 52 31.475 -3.942 22.370 1.00 62.21 C ATOM 737 C LEU A 52 30.665 -4.799 21.402 1.00 11.33 C ATOM 738 O LEU A 52 29.458 -4.973 21.574 1.00 70.13 O ATOM 739 CB LEU A 52 31.942 -2.664 21.670 1.00 34.40 C ATOM 740 CG LEU A 52 31.851 -1.378 22.491 1.00 10.15 C ATOM 741 CD1 LEU A 52 32.742 -1.465 23.721 1.00 63.54 C ATOM 742 CD2 LEU A 52 32.229 -0.174 21.641 1.00 62.22 C ATOM 0 H LEU A 52 33.523 -4.365 22.529 1.00 24.42 H new ATOM 0 HA LEU A 52 30.836 -3.675 23.212 1.00 62.21 H new ATOM 0 HB2 LEU A 52 32.978 -2.801 21.360 1.00 34.40 H new ATOM 0 HB3 LEU A 52 31.352 -2.534 20.762 1.00 34.40 H new ATOM 0 HG LEU A 52 30.820 -1.254 22.822 1.00 10.15 H new ATOM 0 HD11 LEU A 52 32.664 -0.540 24.293 1.00 63.54 H new ATOM 0 HD12 LEU A 52 32.425 -2.303 24.341 1.00 63.54 H new ATOM 0 HD13 LEU A 52 33.776 -1.614 23.411 1.00 63.54 H new ATOM 0 HD21 LEU A 52 32.158 0.732 22.242 1.00 62.22 H new ATOM 0 HD22 LEU A 52 33.250 -0.291 21.279 1.00 62.22 H new ATOM 0 HD23 LEU A 52 31.549 -0.100 20.792 1.00 62.22 H new ATOM 754 N ILE A 53 31.337 -5.332 20.388 1.00 75.24 N ATOM 755 CA ILE A 53 30.679 -6.173 19.395 1.00 22.31 C ATOM 756 C ILE A 53 30.209 -7.486 20.012 1.00 75.10 C ATOM 757 O ILE A 53 29.203 -8.057 19.590 1.00 52.13 O ATOM 758 CB ILE A 53 31.614 -6.482 18.211 1.00 51.24 C ATOM 759 CG1 ILE A 53 30.831 -7.142 17.074 1.00 44.04 C ATOM 760 CG2 ILE A 53 32.761 -7.375 18.660 1.00 50.34 C ATOM 761 CD1 ILE A 53 31.677 -7.451 15.858 1.00 31.41 C ATOM 0 H ILE A 53 32.336 -5.197 20.232 1.00 75.24 H new ATOM 0 HA ILE A 53 29.816 -5.615 19.031 1.00 22.31 H new ATOM 0 HB ILE A 53 32.032 -5.545 17.843 1.00 51.24 H new ATOM 0 HG12 ILE A 53 30.384 -8.066 17.440 1.00 44.04 H new ATOM 0 HG13 ILE A 53 30.012 -6.486 16.780 1.00 44.04 H new ATOM 0 HG21 ILE A 53 33.413 -7.584 17.812 1.00 50.34 H new ATOM 0 HG22 ILE A 53 33.331 -6.870 19.440 1.00 50.34 H new ATOM 0 HG23 ILE A 53 32.362 -8.311 19.050 1.00 50.34 H new ATOM 0 HD11 ILE A 53 31.057 -7.917 15.092 1.00 31.41 H new ATOM 0 HD12 ILE A 53 32.103 -6.527 15.467 1.00 31.41 H new ATOM 0 HD13 ILE A 53 32.481 -8.131 16.138 1.00 31.41 H new ATOM 773 N ASP A 54 30.941 -7.959 21.014 1.00 3.52 N ATOM 774 CA ASP A 54 30.598 -9.203 21.692 1.00 13.03 C ATOM 775 C ASP A 54 29.365 -9.020 22.572 1.00 1.13 C ATOM 776 O ASP A 54 28.534 -9.921 22.691 1.00 14.51 O ATOM 777 CB ASP A 54 31.775 -9.690 22.538 1.00 65.13 C ATOM 778 CG ASP A 54 31.515 -11.044 23.168 1.00 71.10 C ATOM 779 OD1 ASP A 54 30.899 -11.901 22.500 1.00 20.31 O ATOM 780 OD2 ASP A 54 31.928 -11.247 24.329 1.00 55.02 O ATOM 0 H ASP A 54 31.777 -7.499 21.375 1.00 3.52 H new ATOM 0 HA ASP A 54 30.373 -9.951 20.932 1.00 13.03 H new ATOM 0 HB2 ASP A 54 32.667 -9.748 21.914 1.00 65.13 H new ATOM 0 HB3 ASP A 54 31.981 -8.961 23.322 1.00 65.13 H new ATOM 785 N THR A 55 29.254 -7.848 23.189 1.00 15.54 N ATOM 786 CA THR A 55 28.124 -7.547 24.060 1.00 5.34 C ATOM 787 C THR A 55 26.865 -7.263 23.250 1.00 41.12 C ATOM 788 O THR A 55 25.769 -7.682 23.621 1.00 35.21 O ATOM 789 CB THR A 55 28.421 -6.337 24.967 1.00 21.42 C ATOM 790 OG1 THR A 55 29.505 -6.642 25.852 1.00 70.52 O ATOM 791 CG2 THR A 55 27.192 -5.954 25.777 1.00 53.32 C ATOM 0 H THR A 55 29.933 -7.092 23.102 1.00 15.54 H new ATOM 0 HA THR A 55 27.961 -8.427 24.682 1.00 5.34 H new ATOM 0 HB THR A 55 28.696 -5.494 24.333 1.00 21.42 H new ATOM 0 HG1 THR A 55 30.331 -6.746 25.334 1.00 70.52 H new ATOM 0 HG21 THR A 55 27.426 -5.098 26.410 1.00 53.32 H new ATOM 0 HG22 THR A 55 26.377 -5.694 25.101 1.00 53.32 H new ATOM 0 HG23 THR A 55 26.891 -6.795 26.402 1.00 53.32 H new ATOM 799 N TYR A 56 27.029 -6.549 22.141 1.00 30.55 N ATOM 800 CA TYR A 56 25.904 -6.208 21.279 1.00 61.22 C ATOM 801 C TYR A 56 25.398 -7.438 20.531 1.00 65.02 C ATOM 802 O TYR A 56 24.192 -7.629 20.372 1.00 22.41 O ATOM 803 CB TYR A 56 26.310 -5.122 20.281 1.00 24.13 C ATOM 804 CG TYR A 56 26.817 -3.857 20.936 1.00 15.15 C ATOM 805 CD1 TYR A 56 26.347 -3.460 22.182 1.00 35.12 C ATOM 806 CD2 TYR A 56 27.766 -3.059 20.310 1.00 53.32 C ATOM 807 CE1 TYR A 56 26.806 -2.305 22.784 1.00 54.50 C ATOM 808 CE2 TYR A 56 28.232 -1.902 20.905 1.00 73.22 C ATOM 809 CZ TYR A 56 27.748 -1.529 22.142 1.00 63.25 C ATOM 810 OH TYR A 56 28.209 -0.378 22.738 1.00 22.13 O ATOM 0 H TYR A 56 27.930 -6.196 21.819 1.00 30.55 H new ATOM 0 HA TYR A 56 25.098 -5.831 21.909 1.00 61.22 H new ATOM 0 HB2 TYR A 56 27.085 -5.516 19.623 1.00 24.13 H new ATOM 0 HB3 TYR A 56 25.453 -4.878 19.654 1.00 24.13 H new ATOM 0 HD1 TYR A 56 25.610 -4.065 22.688 1.00 35.12 H new ATOM 0 HD2 TYR A 56 28.146 -3.348 19.341 1.00 53.32 H new ATOM 0 HE1 TYR A 56 26.429 -2.011 23.752 1.00 54.50 H new ATOM 0 HE2 TYR A 56 28.971 -1.293 20.405 1.00 73.22 H new ATOM 0 HH TYR A 56 28.869 0.051 22.154 1.00 22.13 H new ATOM 820 N CYS A 57 26.329 -8.268 20.074 1.00 22.42 N ATOM 821 CA CYS A 57 25.980 -9.481 19.342 1.00 14.23 C ATOM 822 C CYS A 57 25.345 -10.512 20.270 1.00 42.00 C ATOM 823 O CYS A 57 24.283 -11.060 19.973 1.00 24.25 O ATOM 824 CB CYS A 57 27.221 -10.074 18.674 1.00 52.42 C ATOM 825 SG CYS A 57 27.713 -9.231 17.152 1.00 41.32 S ATOM 0 H CYS A 57 27.331 -8.124 20.197 1.00 22.42 H new ATOM 0 HA CYS A 57 25.255 -9.216 18.573 1.00 14.23 H new ATOM 0 HB2 CYS A 57 28.051 -10.041 19.380 1.00 52.42 H new ATOM 0 HB3 CYS A 57 27.034 -11.124 18.451 1.00 52.42 H new ATOM 0 HG CYS A 57 27.027 -9.702 16.154 1.00 41.32 H new ATOM 831 N LYS A 58 26.004 -10.773 21.394 1.00 33.21 N ATOM 832 CA LYS A 58 25.506 -11.739 22.366 1.00 13.13 C ATOM 833 C LYS A 58 24.147 -11.311 22.911 1.00 32.12 C ATOM 834 O LYS A 58 23.243 -12.132 23.070 1.00 24.44 O ATOM 835 CB LYS A 58 26.502 -11.895 23.517 1.00 23.12 C ATOM 836 CG LYS A 58 27.739 -12.696 23.147 1.00 53.33 C ATOM 837 CD LYS A 58 27.804 -14.007 23.911 1.00 32.23 C ATOM 838 CE LYS A 58 27.079 -15.121 23.171 1.00 44.24 C ATOM 839 NZ LYS A 58 25.827 -15.526 23.866 1.00 15.00 N ATOM 0 H LYS A 58 26.885 -10.329 21.654 1.00 33.21 H new ATOM 0 HA LYS A 58 25.390 -12.698 21.861 1.00 13.13 H new ATOM 0 HB2 LYS A 58 26.808 -10.906 23.858 1.00 23.12 H new ATOM 0 HB3 LYS A 58 26.002 -12.380 24.355 1.00 23.12 H new ATOM 0 HG2 LYS A 58 27.736 -12.898 22.076 1.00 53.33 H new ATOM 0 HG3 LYS A 58 28.631 -12.107 23.357 1.00 53.33 H new ATOM 0 HD2 LYS A 58 28.846 -14.289 24.064 1.00 32.23 H new ATOM 0 HD3 LYS A 58 27.361 -13.876 24.898 1.00 32.23 H new ATOM 0 HE2 LYS A 58 26.842 -14.791 22.160 1.00 44.24 H new ATOM 0 HE3 LYS A 58 27.738 -15.984 23.078 1.00 44.24 H new ATOM 0 HZ1 LYS A 58 25.363 -16.287 23.330 1.00 15.00 H new ATOM 0 HZ2 LYS A 58 26.055 -15.865 24.822 1.00 15.00 H new ATOM 0 HZ3 LYS A 58 25.187 -14.709 23.932 1.00 15.00 H new ATOM 853 N LYS A 59 24.008 -10.020 23.194 1.00 33.44 N ATOM 854 CA LYS A 59 22.758 -9.482 23.719 1.00 43.13 C ATOM 855 C LYS A 59 21.643 -9.587 22.683 1.00 23.52 C ATOM 856 O LYS A 59 20.537 -10.028 22.993 1.00 14.32 O ATOM 857 CB LYS A 59 22.944 -8.022 24.137 1.00 50.53 C ATOM 858 CG LYS A 59 21.748 -7.442 24.872 1.00 75.34 C ATOM 859 CD LYS A 59 22.084 -7.121 26.318 1.00 33.12 C ATOM 860 CE LYS A 59 22.177 -8.383 27.162 1.00 14.03 C ATOM 861 NZ LYS A 59 23.516 -8.529 27.796 1.00 1.45 N ATOM 0 H LYS A 59 24.746 -9.327 23.069 1.00 33.44 H new ATOM 0 HA LYS A 59 22.476 -10.071 24.592 1.00 43.13 H new ATOM 0 HB2 LYS A 59 23.824 -7.945 24.775 1.00 50.53 H new ATOM 0 HB3 LYS A 59 23.141 -7.421 23.249 1.00 50.53 H new ATOM 0 HG2 LYS A 59 21.413 -6.537 24.366 1.00 75.34 H new ATOM 0 HG3 LYS A 59 20.921 -8.151 24.839 1.00 75.34 H new ATOM 0 HD2 LYS A 59 23.031 -6.582 26.362 1.00 33.12 H new ATOM 0 HD3 LYS A 59 21.322 -6.461 26.732 1.00 33.12 H new ATOM 0 HE2 LYS A 59 21.410 -8.360 27.936 1.00 14.03 H new ATOM 0 HE3 LYS A 59 21.974 -9.253 26.538 1.00 14.03 H new ATOM 0 HZ1 LYS A 59 23.539 -9.401 28.362 1.00 1.45 H new ATOM 0 HZ2 LYS A 59 24.247 -8.577 27.057 1.00 1.45 H new ATOM 0 HZ3 LYS A 59 23.700 -7.711 28.412 1.00 1.45 H new ATOM 875 N GLN A 60 21.944 -9.182 21.454 1.00 75.35 N ATOM 876 CA GLN A 60 20.966 -9.233 20.373 1.00 13.41 C ATOM 877 C GLN A 60 20.567 -10.672 20.067 1.00 74.42 C ATOM 878 O GLN A 60 19.528 -10.923 19.458 1.00 54.15 O ATOM 879 CB GLN A 60 21.529 -8.569 19.116 1.00 42.45 C ATOM 880 CG GLN A 60 20.610 -8.672 17.909 1.00 2.11 C ATOM 881 CD GLN A 60 20.905 -7.619 16.859 1.00 62.32 C ATOM 882 OE1 GLN A 60 21.503 -6.584 17.152 1.00 1.51 O ATOM 883 NE2 GLN A 60 20.487 -7.879 15.626 1.00 73.43 N ATOM 0 H GLN A 60 22.856 -8.815 21.182 1.00 75.35 H new ATOM 0 HA GLN A 60 20.077 -8.690 20.695 1.00 13.41 H new ATOM 0 HB2 GLN A 60 21.722 -7.517 19.326 1.00 42.45 H new ATOM 0 HB3 GLN A 60 22.488 -9.026 18.872 1.00 42.45 H new ATOM 0 HG2 GLN A 60 20.711 -9.662 17.464 1.00 2.11 H new ATOM 0 HG3 GLN A 60 19.575 -8.574 18.236 1.00 2.11 H new ATOM 0 HE21 GLN A 60 19.995 -8.750 15.427 1.00 73.43 H new ATOM 0 HE22 GLN A 60 20.658 -7.208 14.877 1.00 73.43 H new ATOM 892 N GLY A 61 21.400 -11.616 20.494 1.00 63.24 N ATOM 893 CA GLY A 61 21.117 -13.019 20.255 1.00 30.41 C ATOM 894 C GLY A 61 21.548 -13.471 18.874 1.00 60.21 C ATOM 895 O GLY A 61 20.943 -14.372 18.291 1.00 1.24 O ATOM 0 H GLY A 61 22.266 -11.434 21.001 1.00 63.24 H new ATOM 0 HA2 GLY A 61 21.626 -13.622 21.007 1.00 30.41 H new ATOM 0 HA3 GLY A 61 20.048 -13.196 20.375 1.00 30.41 H new ATOM 899 N ILE A 62 22.595 -12.844 18.348 1.00 73.21 N ATOM 900 CA ILE A 62 23.105 -13.187 17.026 1.00 20.03 C ATOM 901 C ILE A 62 24.625 -13.074 16.978 1.00 70.24 C ATOM 902 O ILE A 62 25.202 -12.108 17.476 1.00 23.23 O ATOM 903 CB ILE A 62 22.499 -12.283 15.937 1.00 42.42 C ATOM 904 CG1 ILE A 62 22.806 -10.813 16.234 1.00 21.42 C ATOM 905 CG2 ILE A 62 20.998 -12.506 15.838 1.00 74.15 C ATOM 906 CD1 ILE A 62 24.048 -10.303 15.538 1.00 4.25 C ATOM 0 H ILE A 62 23.106 -12.096 18.817 1.00 73.21 H new ATOM 0 HA ILE A 62 22.813 -14.219 16.833 1.00 20.03 H new ATOM 0 HB ILE A 62 22.949 -12.542 14.979 1.00 42.42 H new ATOM 0 HG12 ILE A 62 21.954 -10.204 15.932 1.00 21.42 H new ATOM 0 HG13 ILE A 62 22.924 -10.685 17.310 1.00 21.42 H new ATOM 0 HG21 ILE A 62 20.584 -11.860 15.064 1.00 74.15 H new ATOM 0 HG22 ILE A 62 20.801 -13.548 15.585 1.00 74.15 H new ATOM 0 HG23 ILE A 62 20.531 -12.271 16.795 1.00 74.15 H new ATOM 0 HD11 ILE A 62 24.204 -9.255 15.794 1.00 4.25 H new ATOM 0 HD12 ILE A 62 24.911 -10.887 15.859 1.00 4.25 H new ATOM 0 HD13 ILE A 62 23.926 -10.399 14.459 1.00 4.25 H new ATOM 918 N SER A 63 25.268 -14.068 16.372 1.00 54.53 N ATOM 919 CA SER A 63 26.721 -14.081 16.259 1.00 63.20 C ATOM 920 C SER A 63 27.220 -12.844 15.518 1.00 25.33 C ATOM 921 O SER A 63 26.430 -12.067 14.983 1.00 61.02 O ATOM 922 CB SER A 63 27.186 -15.346 15.534 1.00 11.20 C ATOM 923 OG SER A 63 28.530 -15.655 15.859 1.00 30.53 O ATOM 0 H SER A 63 24.805 -14.874 15.952 1.00 54.53 H new ATOM 0 HA SER A 63 27.139 -14.073 17.266 1.00 63.20 H new ATOM 0 HB2 SER A 63 26.541 -16.182 15.805 1.00 11.20 H new ATOM 0 HB3 SER A 63 27.092 -15.207 14.457 1.00 11.20 H new ATOM 0 HG SER A 63 28.803 -16.468 15.385 1.00 30.53 H new ATOM 929 N ARG A 64 28.538 -12.669 15.493 1.00 74.13 N ATOM 930 CA ARG A 64 29.143 -11.527 14.819 1.00 5.34 C ATOM 931 C ARG A 64 29.380 -11.829 13.342 1.00 13.34 C ATOM 932 O ARG A 64 30.483 -11.644 12.830 1.00 55.23 O ATOM 933 CB ARG A 64 30.466 -11.153 15.492 1.00 35.23 C ATOM 934 CG ARG A 64 31.434 -12.318 15.621 1.00 13.20 C ATOM 935 CD ARG A 64 31.548 -12.791 17.062 1.00 51.32 C ATOM 936 NE ARG A 64 32.201 -14.093 17.160 1.00 34.52 N ATOM 937 CZ ARG A 64 33.514 -14.267 17.058 1.00 74.34 C ATOM 938 NH1 ARG A 64 34.310 -13.227 16.855 1.00 14.51 N ATOM 939 NH2 ARG A 64 34.033 -15.484 17.158 1.00 32.31 N ATOM 0 H ARG A 64 29.206 -13.303 15.931 1.00 74.13 H new ATOM 0 HA ARG A 64 28.453 -10.686 14.894 1.00 5.34 H new ATOM 0 HB2 ARG A 64 30.943 -10.357 14.920 1.00 35.23 H new ATOM 0 HB3 ARG A 64 30.259 -10.752 16.484 1.00 35.23 H new ATOM 0 HG2 ARG A 64 31.099 -13.142 14.992 1.00 13.20 H new ATOM 0 HG3 ARG A 64 32.417 -12.018 15.257 1.00 13.20 H new ATOM 0 HD2 ARG A 64 32.111 -12.059 17.641 1.00 51.32 H new ATOM 0 HD3 ARG A 64 30.553 -12.850 17.504 1.00 51.32 H new ATOM 0 HE ARG A 64 31.617 -14.915 17.315 1.00 34.52 H new ATOM 0 HH11 ARG A 64 33.915 -12.290 16.777 1.00 14.51 H new ATOM 0 HH12 ARG A 64 35.318 -13.364 16.777 1.00 14.51 H new ATOM 0 HH21 ARG A 64 33.424 -16.287 17.313 1.00 32.31 H new ATOM 0 HH22 ARG A 64 35.041 -15.616 17.080 1.00 32.31 H new ATOM 953 N ASN A 65 28.336 -12.295 12.665 1.00 53.23 N ATOM 954 CA ASN A 65 28.430 -12.624 11.247 1.00 52.41 C ATOM 955 C ASN A 65 27.275 -12.003 10.467 1.00 41.33 C ATOM 956 O ASN A 65 26.808 -12.565 9.476 1.00 23.12 O ATOM 957 CB ASN A 65 28.433 -14.141 11.053 1.00 22.32 C ATOM 958 CG ASN A 65 29.564 -14.607 10.157 1.00 24.31 C ATOM 959 OD1 ASN A 65 30.572 -15.132 10.632 1.00 34.12 O ATOM 960 ND2 ASN A 65 29.403 -14.417 8.853 1.00 53.41 N ATOM 0 H ASN A 65 27.415 -12.453 13.075 1.00 53.23 H new ATOM 0 HA ASN A 65 29.365 -12.214 10.866 1.00 52.41 H new ATOM 0 HB2 ASN A 65 28.518 -14.629 12.024 1.00 22.32 H new ATOM 0 HB3 ASN A 65 27.481 -14.451 10.623 1.00 22.32 H new ATOM 0 HD21 ASN A 65 30.131 -14.710 8.201 1.00 53.41 H new ATOM 0 HD22 ASN A 65 28.551 -13.978 8.503 1.00 53.41 H new ATOM 967 N SER A 66 26.820 -10.839 10.920 1.00 33.22 N ATOM 968 CA SER A 66 25.718 -10.143 10.267 1.00 54.21 C ATOM 969 C SER A 66 25.816 -8.637 10.494 1.00 72.24 C ATOM 970 O SER A 66 24.816 -7.921 10.429 1.00 63.42 O ATOM 971 CB SER A 66 24.377 -10.662 10.790 1.00 72.34 C ATOM 972 OG SER A 66 23.486 -10.938 9.723 1.00 71.23 O ATOM 0 H SER A 66 27.198 -10.358 11.737 1.00 33.22 H new ATOM 0 HA SER A 66 25.782 -10.337 9.196 1.00 54.21 H new ATOM 0 HB2 SER A 66 24.537 -11.566 11.377 1.00 72.34 H new ATOM 0 HB3 SER A 66 23.933 -9.923 11.457 1.00 72.34 H new ATOM 0 HG SER A 66 22.637 -11.270 10.083 1.00 71.23 H new ATOM 978 N VAL A 67 27.029 -8.163 10.760 1.00 32.21 N ATOM 979 CA VAL A 67 27.260 -6.743 10.996 1.00 52.03 C ATOM 980 C VAL A 67 28.694 -6.355 10.654 1.00 21.41 C ATOM 981 O VAL A 67 29.644 -6.868 11.246 1.00 1.44 O ATOM 982 CB VAL A 67 26.972 -6.363 12.460 1.00 11.13 C ATOM 983 CG1 VAL A 67 25.474 -6.251 12.698 1.00 13.24 C ATOM 984 CG2 VAL A 67 27.596 -7.378 13.406 1.00 11.32 C ATOM 0 H VAL A 67 27.867 -8.742 10.817 1.00 32.21 H new ATOM 0 HA VAL A 67 26.575 -6.199 10.346 1.00 52.03 H new ATOM 0 HB VAL A 67 27.421 -5.390 12.660 1.00 11.13 H new ATOM 0 HG11 VAL A 67 25.290 -5.982 13.738 1.00 13.24 H new ATOM 0 HG12 VAL A 67 25.058 -5.483 12.045 1.00 13.24 H new ATOM 0 HG13 VAL A 67 24.999 -7.208 12.481 1.00 13.24 H new ATOM 0 HG21 VAL A 67 27.383 -7.094 14.437 1.00 11.32 H new ATOM 0 HG22 VAL A 67 27.178 -8.365 13.208 1.00 11.32 H new ATOM 0 HG23 VAL A 67 28.675 -7.403 13.252 1.00 11.32 H new ATOM 994 N ARG A 68 28.843 -5.447 9.695 1.00 25.33 N ATOM 995 CA ARG A 68 30.162 -4.991 9.274 1.00 65.11 C ATOM 996 C ARG A 68 30.493 -3.637 9.894 1.00 51.51 C ATOM 997 O ARG A 68 29.906 -2.617 9.532 1.00 40.51 O ATOM 998 CB ARG A 68 30.229 -4.896 7.749 1.00 43.34 C ATOM 999 CG ARG A 68 31.637 -4.691 7.212 1.00 32.52 C ATOM 1000 CD ARG A 68 32.029 -5.794 6.241 1.00 35.44 C ATOM 1001 NE ARG A 68 33.435 -6.165 6.373 1.00 41.25 N ATOM 1002 CZ ARG A 68 34.104 -6.849 5.451 1.00 51.01 C ATOM 1003 NH1 ARG A 68 33.497 -7.235 4.337 1.00 43.31 N ATOM 1004 NH2 ARG A 68 35.382 -7.148 5.643 1.00 63.03 N ATOM 0 H ARG A 68 28.067 -5.013 9.195 1.00 25.33 H new ATOM 0 HA ARG A 68 30.897 -5.718 9.619 1.00 65.11 H new ATOM 0 HB2 ARG A 68 29.814 -5.807 7.318 1.00 43.34 H new ATOM 0 HB3 ARG A 68 29.599 -4.071 7.417 1.00 43.34 H new ATOM 0 HG2 ARG A 68 31.700 -3.725 6.711 1.00 32.52 H new ATOM 0 HG3 ARG A 68 32.344 -4.667 8.041 1.00 32.52 H new ATOM 0 HD2 ARG A 68 31.405 -6.670 6.417 1.00 35.44 H new ATOM 0 HD3 ARG A 68 31.835 -5.464 5.220 1.00 35.44 H new ATOM 0 HE ARG A 68 33.931 -5.884 7.219 1.00 41.25 H new ATOM 0 HH11 ARG A 68 32.514 -7.007 4.186 1.00 43.31 H new ATOM 0 HH12 ARG A 68 34.013 -7.760 3.631 1.00 43.31 H new ATOM 0 HH21 ARG A 68 35.852 -6.853 6.499 1.00 63.03 H new ATOM 0 HH22 ARG A 68 35.895 -7.673 4.935 1.00 63.03 H new ATOM 1018 N PHE A 69 31.436 -3.634 10.830 1.00 31.43 N ATOM 1019 CA PHE A 69 31.844 -2.406 11.502 1.00 54.11 C ATOM 1020 C PHE A 69 33.003 -1.742 10.765 1.00 61.21 C ATOM 1021 O PHE A 69 34.123 -2.256 10.755 1.00 53.33 O ATOM 1022 CB PHE A 69 32.245 -2.700 12.949 1.00 45.22 C ATOM 1023 CG PHE A 69 31.133 -3.280 13.774 1.00 14.20 C ATOM 1024 CD1 PHE A 69 30.886 -4.643 13.768 1.00 22.34 C ATOM 1025 CD2 PHE A 69 30.333 -2.462 14.556 1.00 41.42 C ATOM 1026 CE1 PHE A 69 29.862 -5.179 14.526 1.00 23.33 C ATOM 1027 CE2 PHE A 69 29.308 -2.992 15.316 1.00 11.02 C ATOM 1028 CZ PHE A 69 29.073 -4.353 15.302 1.00 10.21 C ATOM 0 H PHE A 69 31.932 -4.469 11.141 1.00 31.43 H new ATOM 0 HA PHE A 69 30.996 -1.721 11.500 1.00 54.11 H new ATOM 0 HB2 PHE A 69 33.087 -3.392 12.951 1.00 45.22 H new ATOM 0 HB3 PHE A 69 32.590 -1.778 13.416 1.00 45.22 H new ATOM 0 HD1 PHE A 69 31.501 -5.294 13.164 1.00 22.34 H new ATOM 0 HD2 PHE A 69 30.513 -1.397 14.572 1.00 41.42 H new ATOM 0 HE1 PHE A 69 29.679 -6.243 14.511 1.00 23.33 H new ATOM 0 HE2 PHE A 69 28.691 -2.343 15.920 1.00 11.02 H new ATOM 0 HZ PHE A 69 28.274 -4.770 15.897 1.00 10.21 H new ATOM 1038 N LEU A 70 32.727 -0.598 10.149 1.00 60.23 N ATOM 1039 CA LEU A 70 33.746 0.137 9.408 1.00 42.21 C ATOM 1040 C LEU A 70 34.060 1.467 10.087 1.00 72.43 C ATOM 1041 O LEU A 70 33.190 2.081 10.704 1.00 35.11 O ATOM 1042 CB LEU A 70 33.283 0.382 7.971 1.00 50.03 C ATOM 1043 CG LEU A 70 31.802 0.717 7.791 1.00 40.42 C ATOM 1044 CD1 LEU A 70 31.505 2.117 8.306 1.00 43.34 C ATOM 1045 CD2 LEU A 70 31.400 0.588 6.329 1.00 52.42 C ATOM 0 H LEU A 70 31.806 -0.159 10.148 1.00 60.23 H new ATOM 0 HA LEU A 70 34.654 -0.466 9.393 1.00 42.21 H new ATOM 0 HB2 LEU A 70 33.873 1.199 7.555 1.00 50.03 H new ATOM 0 HB3 LEU A 70 33.508 -0.507 7.381 1.00 50.03 H new ATOM 0 HG LEU A 70 31.215 0.006 8.373 1.00 40.42 H new ATOM 0 HD11 LEU A 70 30.446 2.338 8.170 1.00 43.34 H new ATOM 0 HD12 LEU A 70 31.754 2.175 9.365 1.00 43.34 H new ATOM 0 HD13 LEU A 70 32.101 2.842 7.752 1.00 43.34 H new ATOM 0 HD21 LEU A 70 30.343 0.830 6.220 1.00 52.42 H new ATOM 0 HD22 LEU A 70 31.994 1.275 5.726 1.00 52.42 H new ATOM 0 HD23 LEU A 70 31.575 -0.434 5.992 1.00 52.42 H new ATOM 1057 N PHE A 71 35.308 1.907 9.966 1.00 31.44 N ATOM 1058 CA PHE A 71 35.736 3.164 10.567 1.00 5.33 C ATOM 1059 C PHE A 71 36.387 4.071 9.526 1.00 33.32 C ATOM 1060 O PHE A 71 37.505 3.817 9.079 1.00 44.42 O ATOM 1061 CB PHE A 71 36.716 2.899 11.712 1.00 2.23 C ATOM 1062 CG PHE A 71 37.487 4.117 12.135 1.00 23.34 C ATOM 1063 CD1 PHE A 71 36.849 5.336 12.295 1.00 2.22 C ATOM 1064 CD2 PHE A 71 38.850 4.042 12.374 1.00 61.33 C ATOM 1065 CE1 PHE A 71 37.557 6.458 12.684 1.00 53.14 C ATOM 1066 CE2 PHE A 71 39.563 5.160 12.763 1.00 51.32 C ATOM 1067 CZ PHE A 71 38.915 6.370 12.919 1.00 71.21 C ATOM 0 H PHE A 71 36.040 1.412 9.457 1.00 31.44 H new ATOM 0 HA PHE A 71 34.854 3.668 10.962 1.00 5.33 H new ATOM 0 HB2 PHE A 71 36.165 2.512 12.569 1.00 2.23 H new ATOM 0 HB3 PHE A 71 37.417 2.123 11.407 1.00 2.23 H new ATOM 0 HD1 PHE A 71 35.787 5.411 12.114 1.00 2.22 H new ATOM 0 HD2 PHE A 71 39.361 3.098 12.255 1.00 61.33 H new ATOM 0 HE1 PHE A 71 37.048 7.403 12.804 1.00 53.14 H new ATOM 0 HE2 PHE A 71 40.625 5.088 12.945 1.00 51.32 H new ATOM 0 HZ PHE A 71 39.469 7.245 13.224 1.00 71.21 H new ATOM 1077 N ASP A 72 35.677 5.127 9.145 1.00 44.21 N ATOM 1078 CA ASP A 72 36.184 6.072 8.157 1.00 43.41 C ATOM 1079 C ASP A 72 36.571 5.355 6.867 1.00 2.32 C ATOM 1080 O ASP A 72 37.549 5.716 6.213 1.00 12.35 O ATOM 1081 CB ASP A 72 37.390 6.829 8.716 1.00 42.33 C ATOM 1082 CG ASP A 72 37.352 8.308 8.381 1.00 34.54 C ATOM 1083 OD1 ASP A 72 36.682 8.675 7.394 1.00 72.33 O ATOM 1084 OD2 ASP A 72 37.992 9.097 9.107 1.00 51.31 O ATOM 0 H ASP A 72 34.749 5.350 9.505 1.00 44.21 H new ATOM 0 HA ASP A 72 35.390 6.784 7.931 1.00 43.41 H new ATOM 0 HB2 ASP A 72 37.423 6.705 9.798 1.00 42.33 H new ATOM 0 HB3 ASP A 72 38.306 6.393 8.317 1.00 42.33 H new ATOM 1089 N GLY A 73 35.797 4.336 6.508 1.00 60.24 N ATOM 1090 CA GLY A 73 36.076 3.583 5.298 1.00 13.24 C ATOM 1091 C GLY A 73 36.938 2.364 5.560 1.00 52.20 C ATOM 1092 O GLY A 73 37.422 1.724 4.626 1.00 44.31 O ATOM 0 H GLY A 73 34.982 4.018 7.033 1.00 60.24 H new ATOM 0 HA2 GLY A 73 35.136 3.269 4.844 1.00 13.24 H new ATOM 0 HA3 GLY A 73 36.577 4.230 4.578 1.00 13.24 H new ATOM 1096 N THR A 74 37.132 2.041 6.835 1.00 43.21 N ATOM 1097 CA THR A 74 37.944 0.893 7.217 1.00 23.10 C ATOM 1098 C THR A 74 37.081 -0.224 7.793 1.00 51.14 C ATOM 1099 O THR A 74 36.937 -0.367 9.007 1.00 51.21 O ATOM 1100 CB THR A 74 39.017 1.283 8.252 1.00 74.51 C ATOM 1101 OG1 THR A 74 39.719 2.451 7.814 1.00 55.22 O ATOM 1102 CG2 THR A 74 40.002 0.143 8.465 1.00 11.34 C ATOM 0 H THR A 74 36.738 2.559 7.620 1.00 43.21 H new ATOM 0 HA THR A 74 38.435 0.538 6.311 1.00 23.10 H new ATOM 0 HB THR A 74 38.518 1.493 9.198 1.00 74.51 H new ATOM 0 HG1 THR A 74 39.223 3.252 8.084 1.00 55.22 H new ATOM 0 HG21 THR A 74 40.750 0.441 9.199 1.00 11.34 H new ATOM 0 HG22 THR A 74 39.468 -0.736 8.827 1.00 11.34 H new ATOM 0 HG23 THR A 74 40.494 -0.094 7.522 1.00 11.34 H new ATOM 1110 N PRO A 75 36.492 -1.036 6.902 1.00 22.34 N ATOM 1111 CA PRO A 75 35.634 -2.156 7.300 1.00 75.15 C ATOM 1112 C PRO A 75 36.420 -3.285 7.957 1.00 61.03 C ATOM 1113 O PRO A 75 37.023 -4.114 7.274 1.00 53.44 O ATOM 1114 CB PRO A 75 35.029 -2.627 5.974 1.00 13.44 C ATOM 1115 CG PRO A 75 36.013 -2.206 4.938 1.00 11.22 C ATOM 1116 CD PRO A 75 36.620 -0.925 5.440 1.00 51.43 C ATOM 0 HA PRO A 75 34.893 -1.858 8.042 1.00 75.15 H new ATOM 0 HB2 PRO A 75 34.884 -3.707 5.967 1.00 13.44 H new ATOM 0 HB3 PRO A 75 34.053 -2.173 5.801 1.00 13.44 H new ATOM 0 HG2 PRO A 75 36.777 -2.969 4.793 1.00 11.22 H new ATOM 0 HG3 PRO A 75 35.525 -2.056 3.975 1.00 11.22 H new ATOM 0 HD2 PRO A 75 37.662 -0.827 5.134 1.00 51.43 H new ATOM 0 HD3 PRO A 75 36.092 -0.052 5.056 1.00 51.43 H new ATOM 1124 N ILE A 76 36.410 -3.312 9.285 1.00 13.21 N ATOM 1125 CA ILE A 76 37.121 -4.341 10.034 1.00 41.45 C ATOM 1126 C ILE A 76 36.429 -4.632 11.361 1.00 65.11 C ATOM 1127 O ILE A 76 35.866 -3.736 11.989 1.00 54.22 O ATOM 1128 CB ILE A 76 38.580 -3.930 10.307 1.00 62.30 C ATOM 1129 CG1 ILE A 76 39.301 -3.622 8.993 1.00 20.20 C ATOM 1130 CG2 ILE A 76 39.305 -5.029 11.070 1.00 1.21 C ATOM 1131 CD1 ILE A 76 40.750 -3.229 9.177 1.00 41.14 C ATOM 0 H ILE A 76 35.917 -2.633 9.865 1.00 13.21 H new ATOM 0 HA ILE A 76 37.114 -5.241 9.419 1.00 41.45 H new ATOM 0 HB ILE A 76 38.580 -3.028 10.919 1.00 62.30 H new ATOM 0 HG12 ILE A 76 39.250 -4.498 8.346 1.00 20.20 H new ATOM 0 HG13 ILE A 76 38.776 -2.816 8.480 1.00 20.20 H new ATOM 0 HG21 ILE A 76 40.335 -4.724 11.256 1.00 1.21 H new ATOM 0 HG22 ILE A 76 38.802 -5.205 12.021 1.00 1.21 H new ATOM 0 HG23 ILE A 76 39.299 -5.946 10.481 1.00 1.21 H new ATOM 0 HD11 ILE A 76 41.198 -3.025 8.204 1.00 41.14 H new ATOM 0 HD12 ILE A 76 40.809 -2.335 9.798 1.00 41.14 H new ATOM 0 HD13 ILE A 76 41.289 -4.043 9.661 1.00 41.14 H new ATOM 1143 N ASP A 77 36.478 -5.891 11.783 1.00 4.32 N ATOM 1144 CA ASP A 77 35.859 -6.301 13.038 1.00 1.32 C ATOM 1145 C ASP A 77 36.919 -6.665 14.074 1.00 54.44 C ATOM 1146 O ASP A 77 37.340 -7.817 14.165 1.00 45.15 O ATOM 1147 CB ASP A 77 34.925 -7.490 12.806 1.00 3.32 C ATOM 1148 CG ASP A 77 34.567 -8.204 14.094 1.00 34.04 C ATOM 1149 OD1 ASP A 77 34.483 -7.530 15.142 1.00 21.54 O ATOM 1150 OD2 ASP A 77 34.370 -9.437 14.055 1.00 42.13 O ATOM 0 H ASP A 77 36.940 -6.645 11.274 1.00 4.32 H new ATOM 0 HA ASP A 77 35.278 -5.461 13.419 1.00 1.32 H new ATOM 0 HB2 ASP A 77 34.013 -7.143 12.321 1.00 3.32 H new ATOM 0 HB3 ASP A 77 35.401 -8.194 12.124 1.00 3.32 H new ATOM 1155 N GLU A 78 37.344 -5.674 14.851 1.00 43.42 N ATOM 1156 CA GLU A 78 38.356 -5.890 15.878 1.00 22.21 C ATOM 1157 C GLU A 78 38.606 -4.612 16.674 1.00 34.31 C ATOM 1158 O GLU A 78 38.077 -3.549 16.347 1.00 72.43 O ATOM 1159 CB GLU A 78 39.663 -6.373 15.245 1.00 52.22 C ATOM 1160 CG GLU A 78 39.930 -7.854 15.454 1.00 2.25 C ATOM 1161 CD GLU A 78 41.290 -8.120 16.070 1.00 2.42 C ATOM 1162 OE1 GLU A 78 41.732 -7.304 16.907 1.00 53.15 O ATOM 1163 OE2 GLU A 78 41.913 -9.142 15.716 1.00 72.31 O ATOM 0 H GLU A 78 37.004 -4.714 14.789 1.00 43.42 H new ATOM 0 HA GLU A 78 37.986 -6.656 16.560 1.00 22.21 H new ATOM 0 HB2 GLU A 78 39.638 -6.164 14.175 1.00 52.22 H new ATOM 0 HB3 GLU A 78 40.492 -5.801 15.662 1.00 52.22 H new ATOM 0 HG2 GLU A 78 39.156 -8.272 16.098 1.00 2.25 H new ATOM 0 HG3 GLU A 78 39.862 -8.370 14.497 1.00 2.25 H new ATOM 1170 N THR A 79 39.415 -4.724 17.723 1.00 42.32 N ATOM 1171 CA THR A 79 39.734 -3.579 18.567 1.00 21.41 C ATOM 1172 C THR A 79 41.216 -3.233 18.486 1.00 3.52 C ATOM 1173 O THR A 79 41.718 -2.419 19.263 1.00 73.32 O ATOM 1174 CB THR A 79 39.360 -3.845 20.038 1.00 41.24 C ATOM 1175 OG1 THR A 79 39.473 -2.636 20.798 1.00 62.44 O ATOM 1176 CG2 THR A 79 40.258 -4.915 20.640 1.00 45.51 C ATOM 0 H THR A 79 39.861 -5.596 18.008 1.00 42.32 H new ATOM 0 HA THR A 79 39.147 -2.739 18.196 1.00 21.41 H new ATOM 0 HB THR A 79 38.330 -4.199 20.070 1.00 41.24 H new ATOM 0 HG1 THR A 79 40.218 -2.101 20.453 1.00 62.44 H new ATOM 0 HG21 THR A 79 39.975 -5.085 21.679 1.00 45.51 H new ATOM 0 HG22 THR A 79 40.147 -5.842 20.077 1.00 45.51 H new ATOM 0 HG23 THR A 79 41.296 -4.586 20.596 1.00 45.51 H new ATOM 1184 N LYS A 80 41.914 -3.854 17.541 1.00 53.50 N ATOM 1185 CA LYS A 80 43.339 -3.609 17.356 1.00 23.53 C ATOM 1186 C LYS A 80 43.606 -2.932 16.016 1.00 1.31 C ATOM 1187 O LYS A 80 44.550 -2.153 15.879 1.00 64.00 O ATOM 1188 CB LYS A 80 44.118 -4.924 17.439 1.00 73.53 C ATOM 1189 CG LYS A 80 44.038 -5.594 18.800 1.00 63.02 C ATOM 1190 CD LYS A 80 45.316 -5.392 19.596 1.00 4.52 C ATOM 1191 CE LYS A 80 46.352 -6.456 19.268 1.00 21.13 C ATOM 1192 NZ LYS A 80 47.070 -6.926 20.486 1.00 55.32 N ATOM 0 H LYS A 80 41.515 -4.531 16.891 1.00 53.50 H new ATOM 0 HA LYS A 80 43.674 -2.944 18.152 1.00 23.53 H new ATOM 0 HB2 LYS A 80 43.737 -5.610 16.683 1.00 73.53 H new ATOM 0 HB3 LYS A 80 45.164 -4.733 17.198 1.00 73.53 H new ATOM 0 HG2 LYS A 80 43.193 -5.189 19.357 1.00 63.02 H new ATOM 0 HG3 LYS A 80 43.853 -6.660 18.671 1.00 63.02 H new ATOM 0 HD2 LYS A 80 45.727 -4.405 19.382 1.00 4.52 H new ATOM 0 HD3 LYS A 80 45.090 -5.419 20.662 1.00 4.52 H new ATOM 0 HE2 LYS A 80 45.863 -7.302 18.785 1.00 21.13 H new ATOM 0 HE3 LYS A 80 47.072 -6.054 18.555 1.00 21.13 H new ATOM 0 HZ1 LYS A 80 48.034 -7.219 20.229 1.00 55.32 H new ATOM 0 HZ2 LYS A 80 47.116 -6.154 21.181 1.00 55.32 H new ATOM 0 HZ3 LYS A 80 46.561 -7.734 20.899 1.00 55.32 H new ATOM 1206 N THR A 81 42.767 -3.231 15.029 1.00 24.30 N ATOM 1207 CA THR A 81 42.913 -2.651 13.700 1.00 14.11 C ATOM 1208 C THR A 81 42.586 -1.162 13.712 1.00 43.22 C ATOM 1209 O THR A 81 43.402 -0.320 13.336 1.00 43.01 O ATOM 1210 CB THR A 81 42.003 -3.356 12.677 1.00 72.14 C ATOM 1211 OG1 THR A 81 41.284 -4.419 13.311 1.00 32.52 O ATOM 1212 CG2 THR A 81 42.819 -3.909 11.518 1.00 32.51 C ATOM 0 H THR A 81 41.979 -3.872 15.125 1.00 24.30 H new ATOM 0 HA THR A 81 43.953 -2.790 13.406 1.00 14.11 H new ATOM 0 HB THR A 81 41.297 -2.623 12.287 1.00 72.14 H new ATOM 0 HG1 THR A 81 41.621 -5.280 12.987 1.00 32.52 H new ATOM 0 HG21 THR A 81 42.155 -4.402 10.808 1.00 32.51 H new ATOM 0 HG22 THR A 81 43.342 -3.093 11.019 1.00 32.51 H new ATOM 0 HG23 THR A 81 43.546 -4.628 11.895 1.00 32.51 H new ATOM 1220 N PRO A 82 41.365 -0.826 14.154 1.00 23.30 N ATOM 1221 CA PRO A 82 40.904 0.563 14.227 1.00 51.35 C ATOM 1222 C PRO A 82 41.622 1.357 15.312 1.00 25.24 C ATOM 1223 O PRO A 82 41.770 2.574 15.209 1.00 52.02 O ATOM 1224 CB PRO A 82 39.416 0.426 14.560 1.00 3.13 C ATOM 1225 CG PRO A 82 39.302 -0.891 15.247 1.00 60.23 C ATOM 1226 CD PRO A 82 40.341 -1.777 14.618 1.00 63.41 C ATOM 0 HA PRO A 82 41.100 1.106 13.302 1.00 51.35 H new ATOM 0 HB2 PRO A 82 39.078 1.239 15.203 1.00 3.13 H new ATOM 0 HB3 PRO A 82 38.804 0.457 13.659 1.00 3.13 H new ATOM 0 HG2 PRO A 82 39.473 -0.788 16.319 1.00 60.23 H new ATOM 0 HG3 PRO A 82 38.304 -1.311 15.123 1.00 60.23 H new ATOM 0 HD2 PRO A 82 40.749 -2.489 15.335 1.00 63.41 H new ATOM 0 HD3 PRO A 82 39.928 -2.357 13.793 1.00 63.41 H new ATOM 1234 N GLU A 83 42.068 0.659 16.352 1.00 32.15 N ATOM 1235 CA GLU A 83 42.771 1.300 17.457 1.00 12.23 C ATOM 1236 C GLU A 83 44.204 1.645 17.063 1.00 40.50 C ATOM 1237 O GLU A 83 44.728 2.692 17.444 1.00 71.32 O ATOM 1238 CB GLU A 83 42.774 0.389 18.687 1.00 51.24 C ATOM 1239 CG GLU A 83 43.972 -0.543 18.751 1.00 44.43 C ATOM 1240 CD GLU A 83 45.215 0.141 19.286 1.00 1.54 C ATOM 1241 OE1 GLU A 83 45.084 0.979 20.203 1.00 33.34 O ATOM 1242 OE2 GLU A 83 46.320 -0.161 18.788 1.00 34.20 O ATOM 0 H GLU A 83 41.955 -0.350 16.452 1.00 32.15 H new ATOM 0 HA GLU A 83 42.246 2.224 17.700 1.00 12.23 H new ATOM 0 HB2 GLU A 83 42.756 1.006 19.586 1.00 51.24 H new ATOM 0 HB3 GLU A 83 41.861 -0.206 18.690 1.00 51.24 H new ATOM 0 HG2 GLU A 83 43.730 -1.396 19.385 1.00 44.43 H new ATOM 0 HG3 GLU A 83 44.177 -0.934 17.754 1.00 44.43 H new ATOM 1249 N GLU A 84 44.831 0.757 16.298 1.00 5.42 N ATOM 1250 CA GLU A 84 46.204 0.968 15.854 1.00 62.43 C ATOM 1251 C GLU A 84 46.250 1.919 14.661 1.00 24.33 C ATOM 1252 O GLU A 84 47.260 2.583 14.421 1.00 35.01 O ATOM 1253 CB GLU A 84 46.853 -0.367 15.481 1.00 61.11 C ATOM 1254 CG GLU A 84 46.459 -0.872 14.103 1.00 51.41 C ATOM 1255 CD GLU A 84 47.142 -2.176 13.742 1.00 60.41 C ATOM 1256 OE1 GLU A 84 47.523 -2.923 14.667 1.00 31.23 O ATOM 1257 OE2 GLU A 84 47.295 -2.450 12.533 1.00 23.31 O ATOM 0 H GLU A 84 44.411 -0.114 15.973 1.00 5.42 H new ATOM 0 HA GLU A 84 46.760 1.418 16.677 1.00 62.43 H new ATOM 0 HB2 GLU A 84 47.937 -0.259 15.523 1.00 61.11 H new ATOM 0 HB3 GLU A 84 46.579 -1.115 16.225 1.00 61.11 H new ATOM 0 HG2 GLU A 84 45.378 -1.010 14.066 1.00 51.41 H new ATOM 0 HG3 GLU A 84 46.710 -0.117 13.358 1.00 51.41 H new ATOM 1264 N LEU A 85 45.152 1.979 13.917 1.00 33.51 N ATOM 1265 CA LEU A 85 45.065 2.848 12.749 1.00 64.44 C ATOM 1266 C LEU A 85 44.650 4.260 13.150 1.00 63.44 C ATOM 1267 O LEU A 85 45.081 5.240 12.544 1.00 71.23 O ATOM 1268 CB LEU A 85 44.068 2.278 11.738 1.00 44.54 C ATOM 1269 CG LEU A 85 44.063 2.936 10.357 1.00 10.12 C ATOM 1270 CD1 LEU A 85 44.303 1.899 9.271 1.00 41.10 C ATOM 1271 CD2 LEU A 85 42.749 3.666 10.119 1.00 30.23 C ATOM 0 H LEU A 85 44.309 1.436 14.102 1.00 33.51 H new ATOM 0 HA LEU A 85 46.052 2.897 12.289 1.00 64.44 H new ATOM 0 HB2 LEU A 85 44.276 1.216 11.612 1.00 44.54 H new ATOM 0 HB3 LEU A 85 43.066 2.358 12.160 1.00 44.54 H new ATOM 0 HG LEU A 85 44.873 3.665 10.320 1.00 10.12 H new ATOM 0 HD11 LEU A 85 44.296 2.385 8.296 1.00 41.10 H new ATOM 0 HD12 LEU A 85 45.269 1.421 9.431 1.00 41.10 H new ATOM 0 HD13 LEU A 85 43.516 1.146 9.307 1.00 41.10 H new ATOM 0 HD21 LEU A 85 42.763 4.128 9.132 1.00 30.23 H new ATOM 0 HD22 LEU A 85 41.923 2.957 10.176 1.00 30.23 H new ATOM 0 HD23 LEU A 85 42.618 4.437 10.879 1.00 30.23 H new ATOM 1283 N GLY A 86 43.812 4.355 14.177 1.00 12.22 N ATOM 1284 CA GLY A 86 43.354 5.651 14.643 1.00 3.31 C ATOM 1285 C GLY A 86 44.252 6.231 15.718 1.00 61.00 C ATOM 1286 O GLY A 86 44.639 7.397 15.650 1.00 0.22 O ATOM 0 H GLY A 86 43.442 3.558 14.695 1.00 12.22 H new ATOM 0 HA2 GLY A 86 43.308 6.341 13.801 1.00 3.31 H new ATOM 0 HA3 GLY A 86 42.340 5.556 15.033 1.00 3.31 H new ATOM 1290 N MET A 87 44.583 5.415 16.714 1.00 50.43 N ATOM 1291 CA MET A 87 45.441 5.855 17.808 1.00 33.12 C ATOM 1292 C MET A 87 44.835 7.057 18.525 1.00 54.43 C ATOM 1293 O MET A 87 45.555 7.931 19.007 1.00 33.32 O ATOM 1294 CB MET A 87 46.833 6.208 17.283 1.00 44.22 C ATOM 1295 CG MET A 87 47.715 4.995 17.034 1.00 0.13 C ATOM 1296 SD MET A 87 49.428 5.440 16.689 1.00 52.30 S ATOM 1297 CE MET A 87 50.238 4.845 18.171 1.00 31.04 C ATOM 0 H MET A 87 44.270 4.447 16.786 1.00 50.43 H new ATOM 0 HA MET A 87 45.527 5.035 18.521 1.00 33.12 H new ATOM 0 HB2 MET A 87 46.730 6.769 16.354 1.00 44.22 H new ATOM 0 HB3 MET A 87 47.327 6.865 17.999 1.00 44.22 H new ATOM 0 HG2 MET A 87 47.682 4.342 17.906 1.00 0.13 H new ATOM 0 HG3 MET A 87 47.315 4.426 16.194 1.00 0.13 H new ATOM 0 HE1 MET A 87 51.307 5.048 18.108 1.00 31.04 H new ATOM 0 HE2 MET A 87 49.823 5.353 19.041 1.00 31.04 H new ATOM 0 HE3 MET A 87 50.078 3.771 18.267 1.00 31.04 H new ATOM 1307 N GLU A 88 43.507 7.095 18.589 1.00 3.23 N ATOM 1308 CA GLU A 88 42.806 8.192 19.246 1.00 20.01 C ATOM 1309 C GLU A 88 41.664 7.667 20.112 1.00 62.13 C ATOM 1310 O GLU A 88 41.252 6.514 19.982 1.00 50.23 O ATOM 1311 CB GLU A 88 42.262 9.174 18.207 1.00 44.44 C ATOM 1312 CG GLU A 88 41.357 8.527 17.173 1.00 54.04 C ATOM 1313 CD GLU A 88 40.634 9.545 16.311 1.00 21.42 C ATOM 1314 OE1 GLU A 88 41.230 10.603 16.018 1.00 34.42 O ATOM 1315 OE2 GLU A 88 39.474 9.284 15.931 1.00 71.55 O ATOM 0 H GLU A 88 42.896 6.380 18.194 1.00 3.23 H new ATOM 0 HA GLU A 88 43.518 8.711 19.888 1.00 20.01 H new ATOM 0 HB2 GLU A 88 41.709 9.962 18.719 1.00 44.44 H new ATOM 0 HB3 GLU A 88 43.099 9.651 17.697 1.00 44.44 H new ATOM 0 HG2 GLU A 88 41.951 7.872 16.535 1.00 54.04 H new ATOM 0 HG3 GLU A 88 40.624 7.899 17.679 1.00 54.04 H new ATOM 1322 N ASP A 89 41.159 8.521 20.995 1.00 73.40 N ATOM 1323 CA ASP A 89 40.064 8.144 21.882 1.00 3.23 C ATOM 1324 C ASP A 89 38.714 8.444 21.238 1.00 45.02 C ATOM 1325 O ASP A 89 37.693 8.521 21.921 1.00 51.05 O ATOM 1326 CB ASP A 89 40.183 8.885 23.215 1.00 34.44 C ATOM 1327 CG ASP A 89 40.459 10.364 23.033 1.00 0.14 C ATOM 1328 OD1 ASP A 89 39.578 11.072 22.501 1.00 31.33 O ATOM 1329 OD2 ASP A 89 41.556 10.815 23.424 1.00 61.41 O ATOM 0 H ASP A 89 41.490 9.478 21.116 1.00 73.40 H new ATOM 0 HA ASP A 89 40.129 7.071 22.063 1.00 3.23 H new ATOM 0 HB2 ASP A 89 39.261 8.758 23.782 1.00 34.44 H new ATOM 0 HB3 ASP A 89 40.984 8.439 23.805 1.00 34.44 H new ATOM 1334 N ASP A 90 38.718 8.613 19.920 1.00 5.22 N ATOM 1335 CA ASP A 90 37.494 8.905 19.183 1.00 24.31 C ATOM 1336 C ASP A 90 37.274 7.885 18.070 1.00 24.11 C ATOM 1337 O ASP A 90 36.914 8.243 16.949 1.00 51.23 O ATOM 1338 CB ASP A 90 37.552 10.316 18.595 1.00 34.51 C ATOM 1339 CG ASP A 90 37.610 11.387 19.666 1.00 43.10 C ATOM 1340 OD1 ASP A 90 36.653 11.483 20.462 1.00 40.02 O ATOM 1341 OD2 ASP A 90 38.613 12.130 19.708 1.00 43.43 O ATOM 0 H ASP A 90 39.555 8.553 19.340 1.00 5.22 H new ATOM 0 HA ASP A 90 36.657 8.844 19.878 1.00 24.31 H new ATOM 0 HB2 ASP A 90 38.427 10.402 17.951 1.00 34.51 H new ATOM 0 HB3 ASP A 90 36.677 10.481 17.967 1.00 34.51 H new ATOM 1346 N ASP A 91 37.495 6.614 18.387 1.00 33.14 N ATOM 1347 CA ASP A 91 37.321 5.542 17.414 1.00 34.33 C ATOM 1348 C ASP A 91 35.841 5.261 17.174 1.00 34.23 C ATOM 1349 O ASP A 91 35.129 4.815 18.074 1.00 15.24 O ATOM 1350 CB ASP A 91 38.023 4.270 17.894 1.00 53.24 C ATOM 1351 CG ASP A 91 37.536 3.031 17.168 1.00 15.42 C ATOM 1352 OD1 ASP A 91 37.432 3.075 15.925 1.00 74.13 O ATOM 1353 OD2 ASP A 91 37.257 2.019 17.844 1.00 23.51 O ATOM 0 H ASP A 91 37.795 6.301 19.310 1.00 33.14 H new ATOM 0 HA ASP A 91 37.769 5.862 16.473 1.00 34.33 H new ATOM 0 HB2 ASP A 91 39.098 4.374 17.748 1.00 53.24 H new ATOM 0 HB3 ASP A 91 37.857 4.149 18.965 1.00 53.24 H new ATOM 1358 N VAL A 92 35.383 5.525 15.954 1.00 4.35 N ATOM 1359 CA VAL A 92 33.988 5.301 15.596 1.00 41.13 C ATOM 1360 C VAL A 92 33.847 4.108 14.658 1.00 72.52 C ATOM 1361 O VAL A 92 34.758 3.797 13.890 1.00 4.23 O ATOM 1362 CB VAL A 92 33.375 6.544 14.923 1.00 32.33 C ATOM 1363 CG1 VAL A 92 33.745 7.804 15.691 1.00 70.22 C ATOM 1364 CG2 VAL A 92 33.825 6.641 13.473 1.00 12.14 C ATOM 0 H VAL A 92 35.958 5.894 15.197 1.00 4.35 H new ATOM 0 HA VAL A 92 33.452 5.097 16.523 1.00 41.13 H new ATOM 0 HB VAL A 92 32.290 6.445 14.936 1.00 32.33 H new ATOM 0 HG11 VAL A 92 33.303 8.672 15.201 1.00 70.22 H new ATOM 0 HG12 VAL A 92 33.368 7.732 16.711 1.00 70.22 H new ATOM 0 HG13 VAL A 92 34.829 7.912 15.712 1.00 70.22 H new ATOM 0 HG21 VAL A 92 33.383 7.525 13.013 1.00 12.14 H new ATOM 0 HG22 VAL A 92 34.912 6.717 13.434 1.00 12.14 H new ATOM 0 HG23 VAL A 92 33.504 5.751 12.932 1.00 12.14 H new ATOM 1374 N ILE A 93 32.699 3.442 14.725 1.00 53.11 N ATOM 1375 CA ILE A 93 32.438 2.283 13.880 1.00 15.23 C ATOM 1376 C ILE A 93 30.959 2.188 13.520 1.00 70.14 C ATOM 1377 O ILE A 93 30.100 2.094 14.397 1.00 63.02 O ATOM 1378 CB ILE A 93 32.872 0.976 14.569 1.00 72.35 C ATOM 1379 CG1 ILE A 93 32.432 0.975 16.034 1.00 71.40 C ATOM 1380 CG2 ILE A 93 34.379 0.796 14.462 1.00 11.41 C ATOM 1381 CD1 ILE A 93 31.903 -0.362 16.505 1.00 22.01 C ATOM 0 H ILE A 93 31.935 3.685 15.356 1.00 53.11 H new ATOM 0 HA ILE A 93 33.023 2.416 12.970 1.00 15.23 H new ATOM 0 HB ILE A 93 32.389 0.139 14.064 1.00 72.35 H new ATOM 0 HG12 ILE A 93 33.277 1.263 16.659 1.00 71.40 H new ATOM 0 HG13 ILE A 93 31.660 1.732 16.174 1.00 71.40 H new ATOM 0 HG21 ILE A 93 34.670 -0.132 14.954 1.00 11.41 H new ATOM 0 HG22 ILE A 93 34.667 0.756 13.411 1.00 11.41 H new ATOM 0 HG23 ILE A 93 34.881 1.635 14.944 1.00 11.41 H new ATOM 0 HD11 ILE A 93 31.610 -0.289 17.552 1.00 22.01 H new ATOM 0 HD12 ILE A 93 31.038 -0.643 15.905 1.00 22.01 H new ATOM 0 HD13 ILE A 93 32.680 -1.119 16.398 1.00 22.01 H new ATOM 1393 N ASP A 94 30.669 2.211 12.223 1.00 23.14 N ATOM 1394 CA ASP A 94 29.294 2.124 11.745 1.00 3.15 C ATOM 1395 C ASP A 94 28.980 0.717 11.247 1.00 21.11 C ATOM 1396 O ASP A 94 29.590 0.235 10.293 1.00 54.33 O ATOM 1397 CB ASP A 94 29.055 3.140 10.627 1.00 24.22 C ATOM 1398 CG ASP A 94 27.590 3.499 10.474 1.00 23.43 C ATOM 1399 OD1 ASP A 94 26.737 2.730 10.965 1.00 54.12 O ATOM 1400 OD2 ASP A 94 27.298 4.548 9.865 1.00 55.31 O ATOM 0 H ASP A 94 31.368 2.289 11.484 1.00 23.14 H new ATOM 0 HA ASP A 94 28.630 2.351 12.579 1.00 3.15 H new ATOM 0 HB2 ASP A 94 29.628 4.044 10.833 1.00 24.22 H new ATOM 0 HB3 ASP A 94 29.427 2.735 9.686 1.00 24.22 H new ATOM 1405 N ALA A 95 28.026 0.063 11.901 1.00 74.43 N ATOM 1406 CA ALA A 95 27.630 -1.289 11.523 1.00 0.45 C ATOM 1407 C ALA A 95 26.649 -1.268 10.356 1.00 11.33 C ATOM 1408 O ALA A 95 25.556 -0.711 10.462 1.00 64.23 O ATOM 1409 CB ALA A 95 27.020 -2.012 12.715 1.00 23.11 C ATOM 0 H ALA A 95 27.513 0.447 12.695 1.00 74.43 H new ATOM 0 HA ALA A 95 28.523 -1.827 11.203 1.00 0.45 H new ATOM 0 HB1 ALA A 95 26.729 -3.020 12.419 1.00 23.11 H new ATOM 0 HB2 ALA A 95 27.752 -2.068 13.521 1.00 23.11 H new ATOM 0 HB3 ALA A 95 26.141 -1.467 13.060 1.00 23.11 H new ATOM 1415 N MET A 96 27.047 -1.877 9.244 1.00 15.11 N ATOM 1416 CA MET A 96 26.201 -1.928 8.057 1.00 31.11 C ATOM 1417 C MET A 96 25.956 -3.371 7.626 1.00 13.40 C ATOM 1418 O MET A 96 26.762 -4.258 7.906 1.00 34.20 O ATOM 1419 CB MET A 96 26.845 -1.144 6.912 1.00 15.30 C ATOM 1420 CG MET A 96 26.131 0.160 6.592 1.00 70.32 C ATOM 1421 SD MET A 96 24.839 -0.043 5.350 1.00 10.45 S ATOM 1422 CE MET A 96 25.058 1.451 4.387 1.00 44.31 C ATOM 0 H MET A 96 27.949 -2.342 9.140 1.00 15.11 H new ATOM 0 HA MET A 96 25.242 -1.473 8.305 1.00 31.11 H new ATOM 0 HB2 MET A 96 27.882 -0.928 7.169 1.00 15.30 H new ATOM 0 HB3 MET A 96 26.861 -1.769 6.019 1.00 15.30 H new ATOM 0 HG2 MET A 96 25.692 0.563 7.505 1.00 70.32 H new ATOM 0 HG3 MET A 96 26.858 0.891 6.238 1.00 70.32 H new ATOM 0 HE1 MET A 96 24.329 1.472 3.577 1.00 44.31 H new ATOM 0 HE2 MET A 96 24.914 2.321 5.028 1.00 44.31 H new ATOM 0 HE3 MET A 96 26.065 1.470 3.969 1.00 44.31 H new ATOM 1432 N VAL A 97 24.838 -3.598 6.944 1.00 52.24 N ATOM 1433 CA VAL A 97 24.487 -4.933 6.473 1.00 2.43 C ATOM 1434 C VAL A 97 25.148 -5.234 5.133 1.00 24.42 C ATOM 1435 O VAL A 97 25.094 -4.425 4.208 1.00 63.54 O ATOM 1436 CB VAL A 97 22.962 -5.094 6.329 1.00 62.22 C ATOM 1437 CG1 VAL A 97 22.287 -5.029 7.690 1.00 11.02 C ATOM 1438 CG2 VAL A 97 22.401 -4.033 5.395 1.00 74.25 C ATOM 0 H VAL A 97 24.160 -2.875 6.705 1.00 52.24 H new ATOM 0 HA VAL A 97 24.850 -5.638 7.220 1.00 2.43 H new ATOM 0 HB VAL A 97 22.757 -6.073 5.895 1.00 62.22 H new ATOM 0 HG11 VAL A 97 21.210 -5.145 7.568 1.00 11.02 H new ATOM 0 HG12 VAL A 97 22.668 -5.830 8.324 1.00 11.02 H new ATOM 0 HG13 VAL A 97 22.498 -4.066 8.155 1.00 11.02 H new ATOM 0 HG21 VAL A 97 21.322 -4.161 5.305 1.00 74.25 H new ATOM 0 HG22 VAL A 97 22.616 -3.043 5.798 1.00 74.25 H new ATOM 0 HG23 VAL A 97 22.862 -4.133 4.412 1.00 74.25 H new