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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.2!) 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 114:sc= 0.558 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.194 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 70:sc= 1.22 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 150:sc= -0.317 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0135) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.3 F(o=-3!,f=-1.3) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 85:sc= 0.245 USER MOD Single : A 79 THR OG1 : rot -42:sc= 0.926 USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0877) USER MOD Single : A 81 THR OG1 : rot -124:sc= -0.51 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 44.384 -8.016 19.673 1.00 61.44 N ATOM 299 CA ALA A 25 44.356 -6.685 20.264 1.00 0.44 C ATOM 300 C ALA A 25 42.940 -6.295 20.674 1.00 75.45 C ATOM 301 O ALA A 25 41.966 -6.915 20.244 1.00 73.14 O ATOM 302 CB ALA A 25 44.926 -5.663 19.292 1.00 41.32 C ATOM 0 HA ALA A 25 44.974 -6.701 21.161 1.00 0.44 H new ATOM 0 HB1 ALA A 25 44.899 -4.673 19.747 1.00 41.32 H new ATOM 0 HB2 ALA A 25 45.957 -5.924 19.053 1.00 41.32 H new ATOM 0 HB3 ALA A 25 44.331 -5.659 18.378 1.00 41.32 H new ATOM 308 N LEU A 26 42.831 -5.267 21.507 1.00 41.53 N ATOM 309 CA LEU A 26 41.532 -4.795 21.975 1.00 45.31 C ATOM 310 C LEU A 26 41.392 -3.290 21.766 1.00 71.32 C ATOM 311 O LEU A 26 42.304 -2.522 22.071 1.00 25.53 O ATOM 312 CB LEU A 26 41.347 -5.135 23.455 1.00 45.12 C ATOM 313 CG LEU A 26 40.419 -6.310 23.762 1.00 23.53 C ATOM 314 CD1 LEU A 26 41.030 -7.208 24.827 1.00 34.14 C ATOM 315 CD2 LEU A 26 39.052 -5.809 24.204 1.00 21.11 C ATOM 0 H LEU A 26 43.626 -4.744 21.873 1.00 41.53 H new ATOM 0 HA LEU A 26 40.759 -5.298 21.394 1.00 45.31 H new ATOM 0 HB2 LEU A 26 42.326 -5.350 23.883 1.00 45.12 H new ATOM 0 HB3 LEU A 26 40.963 -4.252 23.965 1.00 45.12 H new ATOM 0 HG LEU A 26 40.292 -6.895 22.851 1.00 23.53 H new ATOM 0 HD11 LEU A 26 40.356 -8.039 25.033 1.00 34.14 H new ATOM 0 HD12 LEU A 26 41.985 -7.595 24.472 1.00 34.14 H new ATOM 0 HD13 LEU A 26 41.188 -6.634 25.740 1.00 34.14 H new ATOM 0 HD21 LEU A 26 38.405 -6.659 24.418 1.00 21.11 H new ATOM 0 HD22 LEU A 26 39.160 -5.200 25.102 1.00 21.11 H new ATOM 0 HD23 LEU A 26 38.610 -5.208 23.409 1.00 21.11 H new ATOM 327 N VAL A 27 40.242 -2.875 21.245 1.00 75.31 N ATOM 328 CA VAL A 27 39.980 -1.462 20.998 1.00 34.41 C ATOM 329 C VAL A 27 38.565 -1.083 21.423 1.00 63.44 C ATOM 330 O VAL A 27 37.603 -1.784 21.109 1.00 43.34 O ATOM 331 CB VAL A 27 40.170 -1.108 19.511 1.00 0.34 C ATOM 332 CG1 VAL A 27 39.228 0.015 19.105 1.00 11.33 C ATOM 333 CG2 VAL A 27 41.617 -0.727 19.236 1.00 12.32 C ATOM 0 H VAL A 27 39.477 -3.497 20.986 1.00 75.31 H new ATOM 0 HA VAL A 27 40.698 -0.898 21.593 1.00 34.41 H new ATOM 0 HB VAL A 27 39.929 -1.986 18.912 1.00 0.34 H new ATOM 0 HG11 VAL A 27 39.377 0.251 18.051 1.00 11.33 H new ATOM 0 HG12 VAL A 27 38.197 -0.300 19.264 1.00 11.33 H new ATOM 0 HG13 VAL A 27 39.435 0.899 19.708 1.00 11.33 H new ATOM 0 HG21 VAL A 27 41.734 -0.480 18.181 1.00 12.32 H new ATOM 0 HG22 VAL A 27 41.887 0.137 19.843 1.00 12.32 H new ATOM 0 HG23 VAL A 27 42.268 -1.565 19.487 1.00 12.32 H new ATOM 343 N ALA A 28 38.447 0.030 22.138 1.00 14.22 N ATOM 344 CA ALA A 28 37.149 0.504 22.604 1.00 43.41 C ATOM 345 C ALA A 28 36.513 1.447 21.589 1.00 54.34 C ATOM 346 O ALA A 28 37.161 2.366 21.088 1.00 41.13 O ATOM 347 CB ALA A 28 37.293 1.196 23.952 1.00 71.24 C ATOM 0 H ALA A 28 39.234 0.621 22.408 1.00 14.22 H new ATOM 0 HA ALA A 28 36.494 -0.360 22.719 1.00 43.41 H new ATOM 0 HB1 ALA A 28 36.317 1.545 24.288 1.00 71.24 H new ATOM 0 HB2 ALA A 28 37.698 0.493 24.680 1.00 71.24 H new ATOM 0 HB3 ALA A 28 37.968 2.046 23.854 1.00 71.24 H new ATOM 353 N VAL A 29 35.239 1.214 21.288 1.00 30.52 N ATOM 354 CA VAL A 29 34.514 2.043 20.332 1.00 23.55 C ATOM 355 C VAL A 29 33.288 2.680 20.977 1.00 62.25 C ATOM 356 O VAL A 29 32.546 2.024 21.708 1.00 54.32 O ATOM 357 CB VAL A 29 34.070 1.226 19.105 1.00 74.42 C ATOM 358 CG1 VAL A 29 33.435 2.132 18.061 1.00 1.22 C ATOM 359 CG2 VAL A 29 35.248 0.465 18.516 1.00 20.44 C ATOM 0 H VAL A 29 34.688 0.457 21.693 1.00 30.52 H new ATOM 0 HA VAL A 29 35.199 2.827 20.008 1.00 23.55 H new ATOM 0 HB VAL A 29 33.322 0.501 19.425 1.00 74.42 H new ATOM 0 HG11 VAL A 29 33.128 1.537 17.201 1.00 1.22 H new ATOM 0 HG12 VAL A 29 32.564 2.627 18.490 1.00 1.22 H new ATOM 0 HG13 VAL A 29 34.158 2.883 17.743 1.00 1.22 H new ATOM 0 HG21 VAL A 29 34.915 -0.107 17.650 1.00 20.44 H new ATOM 0 HG22 VAL A 29 36.021 1.170 18.210 1.00 20.44 H new ATOM 0 HG23 VAL A 29 35.653 -0.215 19.265 1.00 20.44 H new ATOM 369 N LYS A 30 33.081 3.963 20.700 1.00 71.32 N ATOM 370 CA LYS A 30 31.944 4.690 21.250 1.00 15.50 C ATOM 371 C LYS A 30 31.112 5.322 20.138 1.00 71.40 C ATOM 372 O LYS A 30 31.601 6.163 19.384 1.00 24.20 O ATOM 373 CB LYS A 30 32.425 5.773 22.219 1.00 52.24 C ATOM 374 CG LYS A 30 33.612 6.567 21.702 1.00 40.41 C ATOM 375 CD LYS A 30 34.873 6.264 22.494 1.00 12.40 C ATOM 376 CE LYS A 30 35.228 7.406 23.434 1.00 21.03 C ATOM 377 NZ LYS A 30 36.701 7.570 23.576 1.00 24.43 N ATOM 0 H LYS A 30 33.686 4.521 20.098 1.00 71.32 H new ATOM 0 HA LYS A 30 31.318 3.980 21.790 1.00 15.50 H new ATOM 0 HB2 LYS A 30 31.602 6.458 22.423 1.00 52.24 H new ATOM 0 HB3 LYS A 30 32.695 5.307 23.167 1.00 52.24 H new ATOM 0 HG2 LYS A 30 33.777 6.333 20.650 1.00 40.41 H new ATOM 0 HG3 LYS A 30 33.391 7.633 21.761 1.00 40.41 H new ATOM 0 HD2 LYS A 30 34.732 5.349 23.069 1.00 12.40 H new ATOM 0 HD3 LYS A 30 35.701 6.085 21.808 1.00 12.40 H new ATOM 0 HE2 LYS A 30 34.794 8.333 23.059 1.00 21.03 H new ATOM 0 HE3 LYS A 30 34.787 7.221 24.413 1.00 21.03 H new ATOM 0 HZ1 LYS A 30 36.902 8.358 24.224 1.00 24.43 H new ATOM 0 HZ2 LYS A 30 37.113 6.694 23.957 1.00 24.43 H new ATOM 0 HZ3 LYS A 30 37.119 7.772 22.645 1.00 24.43 H new ATOM 391 N VAL A 31 29.851 4.911 20.042 1.00 1.33 N ATOM 392 CA VAL A 31 28.951 5.439 19.024 1.00 33.40 C ATOM 393 C VAL A 31 28.035 6.511 19.603 1.00 52.35 C ATOM 394 O VAL A 31 27.295 6.264 20.555 1.00 71.32 O ATOM 395 CB VAL A 31 28.089 4.322 18.405 1.00 54.52 C ATOM 396 CG1 VAL A 31 27.368 3.539 19.491 1.00 12.23 C ATOM 397 CG2 VAL A 31 27.097 4.906 17.410 1.00 71.13 C ATOM 0 H VAL A 31 29.430 4.214 20.657 1.00 1.33 H new ATOM 0 HA VAL A 31 29.575 5.880 18.247 1.00 33.40 H new ATOM 0 HB VAL A 31 28.745 3.635 17.870 1.00 54.52 H new ATOM 0 HG11 VAL A 31 26.764 2.755 19.034 1.00 12.23 H new ATOM 0 HG12 VAL A 31 28.100 3.089 20.162 1.00 12.23 H new ATOM 0 HG13 VAL A 31 26.722 4.211 20.056 1.00 12.23 H new ATOM 0 HG21 VAL A 31 26.496 4.104 16.982 1.00 71.13 H new ATOM 0 HG22 VAL A 31 26.445 5.615 17.920 1.00 71.13 H new ATOM 0 HG23 VAL A 31 27.638 5.418 16.614 1.00 71.13 H new ATOM 407 N VAL A 32 28.089 7.705 19.020 1.00 2.02 N ATOM 408 CA VAL A 32 27.263 8.817 19.477 1.00 62.55 C ATOM 409 C VAL A 32 26.252 9.223 18.411 1.00 50.43 C ATOM 410 O VAL A 32 26.510 9.095 17.215 1.00 73.52 O ATOM 411 CB VAL A 32 28.123 10.040 19.846 1.00 30.25 C ATOM 412 CG1 VAL A 32 29.162 9.666 20.892 1.00 24.50 C ATOM 413 CG2 VAL A 32 28.787 10.619 18.606 1.00 32.42 C ATOM 0 H VAL A 32 28.696 7.927 18.231 1.00 2.02 H new ATOM 0 HA VAL A 32 26.733 8.474 20.365 1.00 62.55 H new ATOM 0 HB VAL A 32 27.473 10.804 20.271 1.00 30.25 H new ATOM 0 HG11 VAL A 32 29.760 10.543 21.140 1.00 24.50 H new ATOM 0 HG12 VAL A 32 28.661 9.303 21.789 1.00 24.50 H new ATOM 0 HG13 VAL A 32 29.811 8.884 20.497 1.00 24.50 H new ATOM 0 HG21 VAL A 32 29.391 11.482 18.886 1.00 32.42 H new ATOM 0 HG22 VAL A 32 29.425 9.863 18.148 1.00 32.42 H new ATOM 0 HG23 VAL A 32 28.022 10.927 17.894 1.00 32.42 H new ATOM 423 N ASN A 33 25.100 9.716 18.853 1.00 13.15 N ATOM 424 CA ASN A 33 24.048 10.142 17.937 1.00 3.52 C ATOM 425 C ASN A 33 23.725 11.621 18.130 1.00 30.03 C ATOM 426 O ASN A 33 23.910 12.170 19.216 1.00 54.52 O ATOM 427 CB ASN A 33 22.788 9.302 18.148 1.00 75.53 C ATOM 428 CG ASN A 33 21.660 9.707 17.218 1.00 41.00 C ATOM 429 OD1 ASN A 33 21.893 10.082 16.069 1.00 72.34 O ATOM 430 ND2 ASN A 33 20.430 9.634 17.713 1.00 61.10 N ATOM 0 H ASN A 33 24.871 9.831 19.840 1.00 13.15 H new ATOM 0 HA ASN A 33 24.407 9.996 16.918 1.00 3.52 H new ATOM 0 HB2 ASN A 33 23.025 8.250 17.990 1.00 75.53 H new ATOM 0 HB3 ASN A 33 22.457 9.402 19.182 1.00 75.53 H new ATOM 0 HD21 ASN A 33 19.631 9.895 17.135 1.00 61.10 H new ATOM 0 HD22 ASN A 33 20.284 9.317 18.672 1.00 61.10 H new ATOM 437 N ALA A 34 23.241 12.259 17.070 1.00 71.45 N ATOM 438 CA ALA A 34 22.889 13.672 17.123 1.00 42.23 C ATOM 439 C ALA A 34 21.799 13.928 18.158 1.00 42.11 C ATOM 440 O ALA A 34 21.682 15.032 18.690 1.00 52.33 O ATOM 441 CB ALA A 34 22.442 14.157 15.752 1.00 71.35 C ATOM 0 H ALA A 34 23.084 11.819 16.163 1.00 71.45 H new ATOM 0 HA ALA A 34 23.776 14.230 17.422 1.00 42.23 H new ATOM 0 HB1 ALA A 34 22.182 15.214 15.807 1.00 71.35 H new ATOM 0 HB2 ALA A 34 23.252 14.019 15.035 1.00 71.35 H new ATOM 0 HB3 ALA A 34 21.571 13.586 15.430 1.00 71.35 H new ATOM 447 N ASP A 35 21.004 12.902 18.439 1.00 72.14 N ATOM 448 CA ASP A 35 19.923 13.016 19.411 1.00 71.21 C ATOM 449 C ASP A 35 20.458 12.902 20.835 1.00 65.13 C ATOM 450 O ASP A 35 19.851 13.404 21.779 1.00 2.43 O ATOM 451 CB ASP A 35 18.868 11.937 19.162 1.00 62.44 C ATOM 452 CG ASP A 35 18.409 11.898 17.717 1.00 2.32 C ATOM 453 OD1 ASP A 35 18.554 12.925 17.022 1.00 51.12 O ATOM 454 OD2 ASP A 35 17.904 10.842 17.283 1.00 63.35 O ATOM 0 H ASP A 35 21.088 11.982 18.007 1.00 72.14 H new ATOM 0 HA ASP A 35 19.463 13.997 19.292 1.00 71.21 H new ATOM 0 HB2 ASP A 35 19.276 10.964 19.437 1.00 62.44 H new ATOM 0 HB3 ASP A 35 18.009 12.117 19.808 1.00 62.44 H new ATOM 459 N GLY A 36 21.600 12.236 20.981 1.00 43.31 N ATOM 460 CA GLY A 36 22.198 12.067 22.293 1.00 53.25 C ATOM 461 C GLY A 36 22.491 10.615 22.613 1.00 3.11 C ATOM 462 O GLY A 36 23.508 10.302 23.231 1.00 4.42 O ATOM 0 H GLY A 36 22.121 11.811 20.214 1.00 43.31 H new ATOM 0 HA2 GLY A 36 23.123 12.641 22.344 1.00 53.25 H new ATOM 0 HA3 GLY A 36 21.528 12.475 23.050 1.00 53.25 H new ATOM 466 N ALA A 37 21.597 9.726 22.193 1.00 25.33 N ATOM 467 CA ALA A 37 21.766 8.299 22.439 1.00 21.21 C ATOM 468 C ALA A 37 23.144 7.824 21.991 1.00 20.41 C ATOM 469 O ALA A 37 23.501 7.944 20.820 1.00 40.13 O ATOM 470 CB ALA A 37 20.677 7.509 21.729 1.00 34.33 C ATOM 0 H ALA A 37 20.749 9.969 21.681 1.00 25.33 H new ATOM 0 HA ALA A 37 21.683 8.128 23.512 1.00 21.21 H new ATOM 0 HB1 ALA A 37 20.815 6.445 21.921 1.00 34.33 H new ATOM 0 HB2 ALA A 37 19.701 7.821 22.100 1.00 34.33 H new ATOM 0 HB3 ALA A 37 20.734 7.694 20.656 1.00 34.33 H new ATOM 476 N GLU A 38 23.914 7.284 22.931 1.00 14.33 N ATOM 477 CA GLU A 38 25.253 6.793 22.632 1.00 64.32 C ATOM 478 C GLU A 38 25.596 5.584 23.498 1.00 74.21 C ATOM 479 O GLU A 38 24.947 5.331 24.513 1.00 62.33 O ATOM 480 CB GLU A 38 26.287 7.899 22.850 1.00 4.31 C ATOM 481 CG GLU A 38 26.392 8.358 24.295 1.00 52.32 C ATOM 482 CD GLU A 38 26.787 9.817 24.416 1.00 11.33 C ATOM 483 OE1 GLU A 38 27.317 10.372 23.431 1.00 62.43 O ATOM 484 OE2 GLU A 38 26.566 10.404 25.496 1.00 44.40 O ATOM 0 H GLU A 38 23.633 7.176 23.905 1.00 14.33 H new ATOM 0 HA GLU A 38 25.274 6.487 21.586 1.00 64.32 H new ATOM 0 HB2 GLU A 38 27.263 7.543 22.519 1.00 4.31 H new ATOM 0 HB3 GLU A 38 26.030 8.753 22.224 1.00 4.31 H new ATOM 0 HG2 GLU A 38 25.435 8.202 24.792 1.00 52.32 H new ATOM 0 HG3 GLU A 38 27.126 7.742 24.816 1.00 52.32 H new ATOM 491 N MET A 39 26.619 4.841 23.088 1.00 35.45 N ATOM 492 CA MET A 39 27.048 3.659 23.827 1.00 74.51 C ATOM 493 C MET A 39 28.457 3.244 23.418 1.00 44.02 C ATOM 494 O MET A 39 28.786 3.213 22.232 1.00 64.02 O ATOM 495 CB MET A 39 26.074 2.502 23.590 1.00 25.02 C ATOM 496 CG MET A 39 26.009 2.050 22.140 1.00 21.25 C ATOM 497 SD MET A 39 24.747 0.793 21.861 1.00 13.01 S ATOM 498 CE MET A 39 25.552 -0.227 20.629 1.00 72.42 C ATOM 0 H MET A 39 27.166 5.036 22.249 1.00 35.45 H new ATOM 0 HA MET A 39 27.055 3.907 24.888 1.00 74.51 H new ATOM 0 HB2 MET A 39 26.368 1.657 24.213 1.00 25.02 H new ATOM 0 HB3 MET A 39 25.078 2.804 23.913 1.00 25.02 H new ATOM 0 HG2 MET A 39 25.805 2.911 21.504 1.00 21.25 H new ATOM 0 HG3 MET A 39 26.981 1.656 21.842 1.00 21.25 H new ATOM 0 HE1 MET A 39 24.894 -1.051 20.353 1.00 72.42 H new ATOM 0 HE2 MET A 39 25.771 0.374 19.746 1.00 72.42 H new ATOM 0 HE3 MET A 39 26.481 -0.625 21.037 1.00 72.42 H new ATOM 508 N PHE A 40 29.286 2.927 24.407 1.00 65.43 N ATOM 509 CA PHE A 40 30.662 2.515 24.149 1.00 14.21 C ATOM 510 C PHE A 40 30.937 1.136 24.742 1.00 51.32 C ATOM 511 O PHE A 40 30.340 0.750 25.747 1.00 72.32 O ATOM 512 CB PHE A 40 31.640 3.538 24.731 1.00 32.43 C ATOM 513 CG PHE A 40 31.712 3.512 26.231 1.00 34.44 C ATOM 514 CD1 PHE A 40 30.709 4.086 26.996 1.00 3.02 C ATOM 515 CD2 PHE A 40 32.782 2.913 26.877 1.00 40.35 C ATOM 516 CE1 PHE A 40 30.772 4.064 28.377 1.00 61.41 C ATOM 517 CE2 PHE A 40 32.850 2.887 28.257 1.00 41.43 C ATOM 518 CZ PHE A 40 31.845 3.464 29.008 1.00 54.42 C ATOM 0 H PHE A 40 29.030 2.947 25.394 1.00 65.43 H new ATOM 0 HA PHE A 40 30.803 2.461 23.070 1.00 14.21 H new ATOM 0 HB2 PHE A 40 32.634 3.351 24.324 1.00 32.43 H new ATOM 0 HB3 PHE A 40 31.345 4.536 24.407 1.00 32.43 H new ATOM 0 HD1 PHE A 40 29.868 4.556 26.508 1.00 3.02 H new ATOM 0 HD2 PHE A 40 33.572 2.461 26.295 1.00 40.35 H new ATOM 0 HE1 PHE A 40 29.984 4.515 28.962 1.00 61.41 H new ATOM 0 HE2 PHE A 40 33.689 2.416 28.748 1.00 41.43 H new ATOM 0 HZ PHE A 40 31.898 3.446 30.087 1.00 54.42 H new ATOM 528 N PHE A 41 31.845 0.399 24.112 1.00 71.43 N ATOM 529 CA PHE A 41 32.199 -0.938 24.575 1.00 61.13 C ATOM 530 C PHE A 41 33.564 -1.356 24.036 1.00 60.41 C ATOM 531 O PHE A 41 34.005 -0.876 22.991 1.00 33.34 O ATOM 532 CB PHE A 41 31.136 -1.949 24.142 1.00 74.43 C ATOM 533 CG PHE A 41 29.993 -2.070 25.110 1.00 43.53 C ATOM 534 CD1 PHE A 41 30.207 -2.526 26.400 1.00 13.24 C ATOM 535 CD2 PHE A 41 28.706 -1.727 24.729 1.00 41.45 C ATOM 536 CE1 PHE A 41 29.158 -2.637 27.294 1.00 71.33 C ATOM 537 CE2 PHE A 41 27.654 -1.836 25.618 1.00 55.54 C ATOM 538 CZ PHE A 41 27.879 -2.293 26.901 1.00 4.43 C ATOM 0 H PHE A 41 32.349 0.704 23.280 1.00 71.43 H new ATOM 0 HA PHE A 41 32.248 -0.917 25.664 1.00 61.13 H new ATOM 0 HB2 PHE A 41 30.746 -1.659 23.166 1.00 74.43 H new ATOM 0 HB3 PHE A 41 31.604 -2.926 24.020 1.00 74.43 H new ATOM 0 HD1 PHE A 41 31.205 -2.798 26.711 1.00 13.24 H new ATOM 0 HD2 PHE A 41 28.523 -1.370 23.726 1.00 41.45 H new ATOM 0 HE1 PHE A 41 29.338 -2.992 28.298 1.00 71.33 H new ATOM 0 HE2 PHE A 41 26.656 -1.564 25.309 1.00 55.54 H new ATOM 0 HZ PHE A 41 27.057 -2.381 27.596 1.00 4.43 H new ATOM 548 N ARG A 42 34.228 -2.254 24.757 1.00 43.13 N ATOM 549 CA ARG A 42 35.544 -2.736 24.353 1.00 54.00 C ATOM 550 C ARG A 42 35.424 -4.010 23.522 1.00 22.33 C ATOM 551 O ARG A 42 34.921 -5.028 23.998 1.00 30.35 O ATOM 552 CB ARG A 42 36.415 -2.996 25.583 1.00 33.23 C ATOM 553 CG ARG A 42 37.488 -1.942 25.804 1.00 35.40 C ATOM 554 CD ARG A 42 38.602 -2.461 26.698 1.00 25.35 C ATOM 555 NE ARG A 42 38.748 -1.661 27.911 1.00 5.13 N ATOM 556 CZ ARG A 42 39.607 -1.949 28.883 1.00 22.00 C ATOM 557 NH1 ARG A 42 40.393 -3.013 28.784 1.00 13.43 N ATOM 558 NH2 ARG A 42 39.682 -1.172 29.956 1.00 33.21 N ATOM 0 H ARG A 42 33.877 -2.662 25.623 1.00 43.13 H new ATOM 0 HA ARG A 42 36.014 -1.966 23.741 1.00 54.00 H new ATOM 0 HB2 ARG A 42 35.777 -3.044 26.466 1.00 33.23 H new ATOM 0 HB3 ARG A 42 36.891 -3.971 25.481 1.00 33.23 H new ATOM 0 HG2 ARG A 42 37.903 -1.637 24.843 1.00 35.40 H new ATOM 0 HG3 ARG A 42 37.042 -1.056 26.254 1.00 35.40 H new ATOM 0 HD2 ARG A 42 38.396 -3.496 26.969 1.00 25.35 H new ATOM 0 HD3 ARG A 42 39.542 -2.457 26.146 1.00 25.35 H new ATOM 0 HE ARG A 42 38.158 -0.836 28.018 1.00 5.13 H new ATOM 0 HH11 ARG A 42 40.339 -3.612 27.960 1.00 13.43 H new ATOM 0 HH12 ARG A 42 41.052 -3.232 29.532 1.00 13.43 H new ATOM 0 HH21 ARG A 42 39.080 -0.353 30.035 1.00 33.21 H new ATOM 0 HH22 ARG A 42 40.342 -1.394 30.701 1.00 33.21 H new ATOM 572 N ILE A 43 35.889 -3.946 22.279 1.00 3.13 N ATOM 573 CA ILE A 43 35.835 -5.094 21.383 1.00 31.34 C ATOM 574 C ILE A 43 37.098 -5.190 20.535 1.00 44.12 C ATOM 575 O ILE A 43 37.761 -4.186 20.272 1.00 54.23 O ATOM 576 CB ILE A 43 34.609 -5.025 20.453 1.00 24.22 C ATOM 577 CG1 ILE A 43 33.355 -4.666 21.252 1.00 31.23 C ATOM 578 CG2 ILE A 43 34.421 -6.348 19.727 1.00 75.53 C ATOM 579 CD1 ILE A 43 33.101 -3.178 21.342 1.00 2.33 C ATOM 0 H ILE A 43 36.308 -3.111 21.870 1.00 3.13 H new ATOM 0 HA ILE A 43 35.755 -5.981 22.011 1.00 31.34 H new ATOM 0 HB ILE A 43 34.778 -4.246 19.710 1.00 24.22 H new ATOM 0 HG12 ILE A 43 32.491 -5.147 20.792 1.00 31.23 H new ATOM 0 HG13 ILE A 43 33.447 -5.072 22.259 1.00 31.23 H new ATOM 0 HG21 ILE A 43 33.551 -6.284 19.074 1.00 75.53 H new ATOM 0 HG22 ILE A 43 35.307 -6.565 19.131 1.00 75.53 H new ATOM 0 HG23 ILE A 43 34.270 -7.145 20.456 1.00 75.53 H new ATOM 0 HD11 ILE A 43 32.196 -2.998 21.922 1.00 2.33 H new ATOM 0 HD12 ILE A 43 33.947 -2.693 21.829 1.00 2.33 H new ATOM 0 HD13 ILE A 43 32.976 -2.769 20.339 1.00 2.33 H new ATOM 591 N LYS A 44 37.427 -6.404 20.107 1.00 33.32 N ATOM 592 CA LYS A 44 38.609 -6.633 19.285 1.00 0.30 C ATOM 593 C LYS A 44 38.604 -5.724 18.060 1.00 11.31 C ATOM 594 O LYS A 44 37.591 -5.600 17.372 1.00 50.42 O ATOM 595 CB LYS A 44 38.675 -8.097 18.846 1.00 20.31 C ATOM 596 CG LYS A 44 39.344 -9.007 19.862 1.00 61.12 C ATOM 597 CD LYS A 44 40.718 -9.454 19.391 1.00 52.14 C ATOM 598 CE LYS A 44 40.645 -10.767 18.626 1.00 41.52 C ATOM 599 NZ LYS A 44 41.930 -11.083 17.943 1.00 42.40 N ATOM 0 H LYS A 44 36.890 -7.246 20.316 1.00 33.32 H new ATOM 0 HA LYS A 44 39.489 -6.400 19.885 1.00 0.30 H new ATOM 0 HB2 LYS A 44 37.664 -8.457 18.658 1.00 20.31 H new ATOM 0 HB3 LYS A 44 39.216 -8.161 17.902 1.00 20.31 H new ATOM 0 HG2 LYS A 44 39.437 -8.485 20.814 1.00 61.12 H new ATOM 0 HG3 LYS A 44 38.717 -9.881 20.038 1.00 61.12 H new ATOM 0 HD2 LYS A 44 41.154 -8.684 18.754 1.00 52.14 H new ATOM 0 HD3 LYS A 44 41.379 -9.568 20.250 1.00 52.14 H new ATOM 0 HE2 LYS A 44 40.391 -11.574 19.313 1.00 41.52 H new ATOM 0 HE3 LYS A 44 39.845 -10.713 17.888 1.00 41.52 H new ATOM 0 HZ1 LYS A 44 41.839 -11.985 17.433 1.00 42.40 H new ATOM 0 HZ2 LYS A 44 42.160 -10.325 17.269 1.00 42.40 H new ATOM 0 HZ3 LYS A 44 42.689 -11.160 18.650 1.00 42.40 H new ATOM 613 N SER A 45 39.742 -5.091 17.793 1.00 21.34 N ATOM 614 CA SER A 45 39.868 -4.192 16.652 1.00 14.14 C ATOM 615 C SER A 45 39.491 -4.903 15.356 1.00 24.01 C ATOM 616 O SER A 45 38.898 -4.306 14.457 1.00 23.15 O ATOM 617 CB SER A 45 41.296 -3.653 16.556 1.00 42.13 C ATOM 618 OG SER A 45 42.047 -4.368 15.589 1.00 14.23 O ATOM 0 H SER A 45 40.590 -5.184 18.352 1.00 21.34 H new ATOM 0 HA SER A 45 39.182 -3.358 16.800 1.00 14.14 H new ATOM 0 HB2 SER A 45 41.272 -2.595 16.293 1.00 42.13 H new ATOM 0 HB3 SER A 45 41.783 -3.729 17.528 1.00 42.13 H new ATOM 0 HG SER A 45 42.270 -3.773 14.843 1.00 14.23 H new ATOM 624 N ARG A 46 39.841 -6.182 15.267 1.00 32.25 N ATOM 625 CA ARG A 46 39.542 -6.975 14.081 1.00 34.55 C ATOM 626 C ARG A 46 38.065 -6.867 13.713 1.00 51.41 C ATOM 627 O ARG A 46 37.702 -6.909 12.537 1.00 40.02 O ATOM 628 CB ARG A 46 39.913 -8.441 14.315 1.00 42.00 C ATOM 629 CG ARG A 46 40.949 -8.970 13.337 1.00 43.13 C ATOM 630 CD ARG A 46 40.509 -8.768 11.895 1.00 12.23 C ATOM 631 NE ARG A 46 41.356 -9.499 10.957 1.00 54.25 N ATOM 632 CZ ARG A 46 41.230 -10.798 10.712 1.00 22.41 C ATOM 633 NH1 ARG A 46 40.297 -11.506 11.334 1.00 61.24 N ATOM 634 NH2 ARG A 46 42.039 -11.393 9.844 1.00 52.51 N ATOM 0 H ARG A 46 40.332 -6.691 16.002 1.00 32.25 H new ATOM 0 HA ARG A 46 40.135 -6.584 13.254 1.00 34.55 H new ATOM 0 HB2 ARG A 46 40.293 -8.553 15.330 1.00 42.00 H new ATOM 0 HB3 ARG A 46 39.013 -9.051 14.243 1.00 42.00 H new ATOM 0 HG2 ARG A 46 41.900 -8.463 13.503 1.00 43.13 H new ATOM 0 HG3 ARG A 46 41.117 -10.031 13.522 1.00 43.13 H new ATOM 0 HD2 ARG A 46 39.476 -9.096 11.782 1.00 12.23 H new ATOM 0 HD3 ARG A 46 40.534 -7.705 11.654 1.00 12.23 H new ATOM 0 HE ARG A 46 42.084 -8.984 10.463 1.00 54.25 H new ATOM 0 HH11 ARG A 46 39.674 -11.053 12.002 1.00 61.24 H new ATOM 0 HH12 ARG A 46 40.202 -12.504 11.144 1.00 61.24 H new ATOM 0 HH21 ARG A 46 42.759 -10.852 9.364 1.00 52.51 H new ATOM 0 HH22 ARG A 46 41.941 -12.391 9.657 1.00 52.51 H new ATOM 648 N THR A 47 37.216 -6.726 14.726 1.00 31.44 N ATOM 649 CA THR A 47 35.779 -6.613 14.510 1.00 62.32 C ATOM 650 C THR A 47 35.112 -5.839 15.641 1.00 71.21 C ATOM 651 O THR A 47 35.149 -6.257 16.798 1.00 74.33 O ATOM 652 CB THR A 47 35.118 -7.999 14.392 1.00 71.42 C ATOM 653 OG1 THR A 47 35.873 -8.828 13.502 1.00 65.44 O ATOM 654 CG2 THR A 47 33.688 -7.876 13.887 1.00 42.20 C ATOM 0 H THR A 47 37.499 -6.687 15.705 1.00 31.44 H new ATOM 0 HA THR A 47 35.642 -6.072 13.573 1.00 62.32 H new ATOM 0 HB THR A 47 35.099 -8.453 15.383 1.00 71.42 H new ATOM 0 HG1 THR A 47 35.447 -9.708 13.434 1.00 65.44 H new ATOM 0 HG21 THR A 47 33.242 -8.868 13.812 1.00 42.20 H new ATOM 0 HG22 THR A 47 33.108 -7.269 14.582 1.00 42.20 H new ATOM 0 HG23 THR A 47 33.688 -7.403 12.905 1.00 42.20 H new ATOM 662 N ALA A 48 34.502 -4.709 15.299 1.00 60.00 N ATOM 663 CA ALA A 48 33.824 -3.878 16.286 1.00 71.10 C ATOM 664 C ALA A 48 32.702 -3.069 15.644 1.00 11.25 C ATOM 665 O ALA A 48 31.523 -3.302 15.913 1.00 75.13 O ATOM 666 CB ALA A 48 34.819 -2.953 16.971 1.00 64.33 C ATOM 0 H ALA A 48 34.463 -4.348 14.346 1.00 60.00 H new ATOM 0 HA ALA A 48 33.381 -4.535 17.035 1.00 71.10 H new ATOM 0 HB1 ALA A 48 34.298 -2.338 17.705 1.00 64.33 H new ATOM 0 HB2 ALA A 48 35.583 -3.547 17.472 1.00 64.33 H new ATOM 0 HB3 ALA A 48 35.289 -2.310 16.227 1.00 64.33 H new ATOM 672 N LEU A 49 33.076 -2.117 14.797 1.00 53.41 N ATOM 673 CA LEU A 49 32.100 -1.271 14.117 1.00 22.40 C ATOM 674 C LEU A 49 31.111 -2.115 13.319 1.00 32.05 C ATOM 675 O LEU A 49 29.994 -1.680 13.036 1.00 65.02 O ATOM 676 CB LEU A 49 32.810 -0.284 13.189 1.00 23.21 C ATOM 677 CG LEU A 49 32.518 1.196 13.434 1.00 13.50 C ATOM 678 CD1 LEU A 49 31.019 1.435 13.535 1.00 21.11 C ATOM 679 CD2 LEU A 49 33.222 1.678 14.694 1.00 44.11 C ATOM 0 H LEU A 49 34.047 -1.911 14.564 1.00 53.41 H new ATOM 0 HA LEU A 49 31.547 -0.715 14.874 1.00 22.40 H new ATOM 0 HB2 LEU A 49 33.885 -0.441 13.278 1.00 23.21 H new ATOM 0 HB3 LEU A 49 32.537 -0.522 12.161 1.00 23.21 H new ATOM 0 HG LEU A 49 32.900 1.766 12.587 1.00 13.50 H new ATOM 0 HD11 LEU A 49 30.830 2.494 13.710 1.00 21.11 H new ATOM 0 HD12 LEU A 49 30.538 1.129 12.606 1.00 21.11 H new ATOM 0 HD13 LEU A 49 30.613 0.853 14.362 1.00 21.11 H new ATOM 0 HD21 LEU A 49 33.002 2.734 14.852 1.00 44.11 H new ATOM 0 HD22 LEU A 49 32.871 1.102 15.550 1.00 44.11 H new ATOM 0 HD23 LEU A 49 34.298 1.544 14.584 1.00 44.11 H new ATOM 691 N LYS A 50 31.527 -3.325 12.962 1.00 73.21 N ATOM 692 CA LYS A 50 30.677 -4.233 12.200 1.00 0.22 C ATOM 693 C LYS A 50 29.457 -4.649 13.016 1.00 51.15 C ATOM 694 O LYS A 50 28.318 -4.455 12.591 1.00 73.23 O ATOM 695 CB LYS A 50 31.469 -5.473 11.779 1.00 51.45 C ATOM 696 CG LYS A 50 32.580 -5.176 10.787 1.00 63.14 C ATOM 697 CD LYS A 50 32.077 -5.226 9.354 1.00 52.22 C ATOM 698 CE LYS A 50 32.139 -6.637 8.790 1.00 51.03 C ATOM 699 NZ LYS A 50 32.780 -6.669 7.446 1.00 74.42 N ATOM 0 H LYS A 50 32.448 -3.700 13.188 1.00 73.21 H new ATOM 0 HA LYS A 50 30.334 -3.708 11.308 1.00 0.22 H new ATOM 0 HB2 LYS A 50 31.900 -5.937 12.666 1.00 51.45 H new ATOM 0 HB3 LYS A 50 30.785 -6.199 11.339 1.00 51.45 H new ATOM 0 HG2 LYS A 50 32.998 -4.191 10.992 1.00 63.14 H new ATOM 0 HG3 LYS A 50 33.386 -5.898 10.916 1.00 63.14 H new ATOM 0 HD2 LYS A 50 31.050 -4.862 9.315 1.00 52.22 H new ATOM 0 HD3 LYS A 50 32.675 -4.559 8.734 1.00 52.22 H new ATOM 0 HE2 LYS A 50 32.696 -7.277 9.474 1.00 51.03 H new ATOM 0 HE3 LYS A 50 31.131 -7.045 8.721 1.00 51.03 H new ATOM 0 HZ1 LYS A 50 32.803 -7.648 7.096 1.00 74.42 H new ATOM 0 HZ2 LYS A 50 32.234 -6.078 6.787 1.00 74.42 H new ATOM 0 HZ3 LYS A 50 33.751 -6.303 7.516 1.00 74.42 H new ATOM 713 N LYS A 51 29.702 -5.221 14.190 1.00 45.54 N ATOM 714 CA LYS A 51 28.625 -5.662 15.067 1.00 55.34 C ATOM 715 C LYS A 51 27.907 -4.469 15.689 1.00 13.53 C ATOM 716 O LYS A 51 26.722 -4.546 16.018 1.00 41.12 O ATOM 717 CB LYS A 51 29.175 -6.571 16.168 1.00 40.31 C ATOM 718 CG LYS A 51 28.479 -7.918 16.249 1.00 61.43 C ATOM 719 CD LYS A 51 29.022 -8.758 17.393 1.00 74.42 C ATOM 720 CE LYS A 51 28.893 -10.246 17.102 1.00 42.21 C ATOM 721 NZ LYS A 51 30.203 -10.947 17.207 1.00 50.52 N ATOM 0 H LYS A 51 30.639 -5.390 14.556 1.00 45.54 H new ATOM 0 HA LYS A 51 27.908 -6.222 14.467 1.00 55.34 H new ATOM 0 HB2 LYS A 51 30.240 -6.731 15.997 1.00 40.31 H new ATOM 0 HB3 LYS A 51 29.079 -6.064 17.128 1.00 40.31 H new ATOM 0 HG2 LYS A 51 27.408 -7.768 16.383 1.00 61.43 H new ATOM 0 HG3 LYS A 51 28.610 -8.454 15.309 1.00 61.43 H new ATOM 0 HD2 LYS A 51 30.069 -8.509 17.563 1.00 74.42 H new ATOM 0 HD3 LYS A 51 28.484 -8.517 18.310 1.00 74.42 H new ATOM 0 HE2 LYS A 51 28.185 -10.693 17.800 1.00 42.21 H new ATOM 0 HE3 LYS A 51 28.485 -10.386 16.101 1.00 42.21 H new ATOM 0 HZ1 LYS A 51 30.073 -11.958 17.002 1.00 50.52 H new ATOM 0 HZ2 LYS A 51 30.871 -10.538 16.523 1.00 50.52 H new ATOM 0 HZ3 LYS A 51 30.581 -10.835 18.170 1.00 50.52 H new ATOM 735 N LEU A 52 28.630 -3.366 15.848 1.00 42.33 N ATOM 736 CA LEU A 52 28.062 -2.155 16.430 1.00 53.23 C ATOM 737 C LEU A 52 26.976 -1.575 15.529 1.00 70.45 C ATOM 738 O LEU A 52 25.851 -1.339 15.969 1.00 34.42 O ATOM 739 CB LEU A 52 29.158 -1.113 16.661 1.00 31.30 C ATOM 740 CG LEU A 52 29.484 -0.794 18.121 1.00 74.44 C ATOM 741 CD1 LEU A 52 30.355 -1.885 18.724 1.00 44.15 C ATOM 742 CD2 LEU A 52 30.168 0.560 18.231 1.00 42.24 C ATOM 0 H LEU A 52 29.611 -3.285 15.582 1.00 42.33 H new ATOM 0 HA LEU A 52 27.612 -2.419 17.387 1.00 53.23 H new ATOM 0 HB2 LEU A 52 30.069 -1.459 16.173 1.00 31.30 H new ATOM 0 HB3 LEU A 52 28.863 -0.188 16.165 1.00 31.30 H new ATOM 0 HG LEU A 52 28.550 -0.753 18.681 1.00 74.44 H new ATOM 0 HD11 LEU A 52 30.577 -1.641 19.763 1.00 44.15 H new ATOM 0 HD12 LEU A 52 29.827 -2.838 18.680 1.00 44.15 H new ATOM 0 HD13 LEU A 52 31.286 -1.959 18.162 1.00 44.15 H new ATOM 0 HD21 LEU A 52 30.392 0.770 19.277 1.00 42.24 H new ATOM 0 HD22 LEU A 52 31.094 0.548 17.656 1.00 42.24 H new ATOM 0 HD23 LEU A 52 29.508 1.334 17.839 1.00 42.24 H new ATOM 754 N ILE A 53 27.321 -1.351 14.265 1.00 14.31 N ATOM 755 CA ILE A 53 26.374 -0.802 13.302 1.00 62.54 C ATOM 756 C ILE A 53 25.322 -1.836 12.915 1.00 62.51 C ATOM 757 O ILE A 53 24.175 -1.493 12.627 1.00 5.24 O ATOM 758 CB ILE A 53 27.088 -0.312 12.028 1.00 11.21 C ATOM 759 CG1 ILE A 53 26.103 0.424 11.117 1.00 63.44 C ATOM 760 CG2 ILE A 53 27.725 -1.482 11.294 1.00 42.02 C ATOM 761 CD1 ILE A 53 26.774 1.201 10.005 1.00 34.33 C ATOM 0 H ILE A 53 28.248 -1.541 13.884 1.00 14.31 H new ATOM 0 HA ILE A 53 25.887 0.045 13.785 1.00 62.54 H new ATOM 0 HB ILE A 53 27.877 0.383 12.316 1.00 11.21 H new ATOM 0 HG12 ILE A 53 25.415 -0.299 10.680 1.00 63.44 H new ATOM 0 HG13 ILE A 53 25.506 1.109 11.719 1.00 63.44 H new ATOM 0 HG21 ILE A 53 28.225 -1.119 10.396 1.00 42.02 H new ATOM 0 HG22 ILE A 53 28.453 -1.967 11.945 1.00 42.02 H new ATOM 0 HG23 ILE A 53 26.954 -2.200 11.015 1.00 42.02 H new ATOM 0 HD11 ILE A 53 26.016 1.697 9.399 1.00 34.33 H new ATOM 0 HD12 ILE A 53 27.441 1.948 10.435 1.00 34.33 H new ATOM 0 HD13 ILE A 53 27.349 0.518 9.379 1.00 34.33 H new ATOM 773 N ASP A 54 25.720 -3.104 12.912 1.00 52.03 N ATOM 774 CA ASP A 54 24.811 -4.190 12.563 1.00 14.43 C ATOM 775 C ASP A 54 23.776 -4.406 13.663 1.00 12.11 C ATOM 776 O ASP A 54 22.600 -4.645 13.387 1.00 71.45 O ATOM 777 CB ASP A 54 25.593 -5.481 12.321 1.00 24.12 C ATOM 778 CG ASP A 54 24.686 -6.682 12.138 1.00 25.24 C ATOM 779 OD1 ASP A 54 23.553 -6.501 11.645 1.00 44.11 O ATOM 780 OD2 ASP A 54 25.110 -7.803 12.488 1.00 70.50 O ATOM 0 H ASP A 54 26.666 -3.405 13.147 1.00 52.03 H new ATOM 0 HA ASP A 54 24.289 -3.914 11.647 1.00 14.43 H new ATOM 0 HB2 ASP A 54 26.218 -5.363 11.436 1.00 24.12 H new ATOM 0 HB3 ASP A 54 26.263 -5.660 13.162 1.00 24.12 H new ATOM 785 N THR A 55 24.221 -4.321 14.913 1.00 63.01 N ATOM 786 CA THR A 55 23.335 -4.510 16.055 1.00 42.54 C ATOM 787 C THR A 55 22.437 -3.295 16.260 1.00 61.11 C ATOM 788 O THR A 55 21.261 -3.431 16.597 1.00 54.24 O ATOM 789 CB THR A 55 24.132 -4.769 17.347 1.00 31.11 C ATOM 790 OG1 THR A 55 24.907 -5.966 17.213 1.00 51.31 O ATOM 791 CG2 THR A 55 23.199 -4.895 18.542 1.00 53.41 C ATOM 0 H THR A 55 25.190 -4.122 15.160 1.00 63.01 H new ATOM 0 HA THR A 55 22.718 -5.382 15.837 1.00 42.54 H new ATOM 0 HB THR A 55 24.798 -3.922 17.513 1.00 31.11 H new ATOM 0 HG1 THR A 55 25.630 -5.817 16.568 1.00 51.31 H new ATOM 0 HG21 THR A 55 23.784 -5.078 19.443 1.00 53.41 H new ATOM 0 HG22 THR A 55 22.631 -3.972 18.659 1.00 53.41 H new ATOM 0 HG23 THR A 55 22.512 -5.726 18.381 1.00 53.41 H new ATOM 799 N TYR A 56 22.998 -2.109 16.055 1.00 43.24 N ATOM 800 CA TYR A 56 22.248 -0.870 16.219 1.00 12.41 C ATOM 801 C TYR A 56 21.177 -0.734 15.141 1.00 32.01 C ATOM 802 O TYR A 56 20.035 -0.371 15.427 1.00 61.03 O ATOM 803 CB TYR A 56 23.192 0.333 16.170 1.00 13.11 C ATOM 804 CG TYR A 56 22.699 1.522 16.964 1.00 50.25 C ATOM 805 CD1 TYR A 56 21.477 2.117 16.675 1.00 32.44 C ATOM 806 CD2 TYR A 56 23.456 2.051 18.002 1.00 33.32 C ATOM 807 CE1 TYR A 56 21.023 3.204 17.397 1.00 23.42 C ATOM 808 CE2 TYR A 56 23.009 3.137 18.730 1.00 25.45 C ATOM 809 CZ TYR A 56 21.793 3.710 18.424 1.00 70.22 C ATOM 810 OH TYR A 56 21.344 4.792 19.146 1.00 21.42 O ATOM 0 H TYR A 56 23.970 -1.979 15.775 1.00 43.24 H new ATOM 0 HA TYR A 56 21.757 -0.899 17.192 1.00 12.41 H new ATOM 0 HB2 TYR A 56 24.169 0.033 16.549 1.00 13.11 H new ATOM 0 HB3 TYR A 56 23.331 0.633 15.131 1.00 13.11 H new ATOM 0 HD1 TYR A 56 20.872 1.723 15.872 1.00 32.44 H new ATOM 0 HD2 TYR A 56 24.410 1.606 18.244 1.00 33.32 H new ATOM 0 HE1 TYR A 56 20.071 3.655 17.159 1.00 23.42 H new ATOM 0 HE2 TYR A 56 23.609 3.535 19.535 1.00 25.45 H new ATOM 0 HH TYR A 56 22.003 5.023 19.833 1.00 21.42 H new ATOM 820 N CYS A 57 21.554 -1.029 13.902 1.00 53.10 N ATOM 821 CA CYS A 57 20.627 -0.940 12.779 1.00 33.43 C ATOM 822 C CYS A 57 19.571 -2.039 12.858 1.00 45.23 C ATOM 823 O CYS A 57 18.387 -1.795 12.624 1.00 23.35 O ATOM 824 CB CYS A 57 21.386 -1.039 11.455 1.00 33.03 C ATOM 825 SG CYS A 57 22.160 0.509 10.931 1.00 32.40 S ATOM 0 H CYS A 57 22.495 -1.332 13.649 1.00 53.10 H new ATOM 0 HA CYS A 57 20.125 0.026 12.829 1.00 33.43 H new ATOM 0 HB2 CYS A 57 22.156 -1.805 11.546 1.00 33.03 H new ATOM 0 HB3 CYS A 57 20.697 -1.370 10.678 1.00 33.03 H new ATOM 0 HG CYS A 57 23.231 0.247 10.242 1.00 32.40 H new ATOM 831 N LYS A 58 20.009 -3.250 13.186 1.00 52.30 N ATOM 832 CA LYS A 58 19.103 -4.387 13.295 1.00 23.30 C ATOM 833 C LYS A 58 18.132 -4.200 14.456 1.00 21.22 C ATOM 834 O LYS A 58 16.943 -4.496 14.338 1.00 13.14 O ATOM 835 CB LYS A 58 19.898 -5.682 13.484 1.00 13.42 C ATOM 836 CG LYS A 58 19.051 -6.937 13.367 1.00 24.42 C ATOM 837 CD LYS A 58 19.803 -8.052 12.659 1.00 75.04 C ATOM 838 CE LYS A 58 18.863 -9.163 12.215 1.00 21.25 C ATOM 839 NZ LYS A 58 19.587 -10.247 11.495 1.00 31.12 N ATOM 0 H LYS A 58 20.986 -3.469 13.381 1.00 52.30 H new ATOM 0 HA LYS A 58 18.528 -4.452 12.371 1.00 23.30 H new ATOM 0 HB2 LYS A 58 20.695 -5.721 12.742 1.00 13.42 H new ATOM 0 HB3 LYS A 58 20.376 -5.666 14.464 1.00 13.42 H new ATOM 0 HG2 LYS A 58 18.754 -7.271 14.361 1.00 24.42 H new ATOM 0 HG3 LYS A 58 18.136 -6.710 12.821 1.00 24.42 H new ATOM 0 HD2 LYS A 58 20.325 -7.647 11.792 1.00 75.04 H new ATOM 0 HD3 LYS A 58 20.562 -8.461 13.326 1.00 75.04 H new ATOM 0 HE2 LYS A 58 18.357 -9.580 13.086 1.00 21.25 H new ATOM 0 HE3 LYS A 58 18.091 -8.748 11.566 1.00 21.25 H new ATOM 0 HZ1 LYS A 58 18.912 -10.985 11.209 1.00 31.12 H new ATOM 0 HZ2 LYS A 58 20.049 -9.854 10.650 1.00 31.12 H new ATOM 0 HZ3 LYS A 58 20.306 -10.660 12.122 1.00 31.12 H new ATOM 853 N LYS A 59 18.646 -3.706 15.578 1.00 71.34 N ATOM 854 CA LYS A 59 17.824 -3.477 16.760 1.00 3.40 C ATOM 855 C LYS A 59 16.802 -2.374 16.506 1.00 14.31 C ATOM 856 O LYS A 59 15.622 -2.524 16.824 1.00 62.33 O ATOM 857 CB LYS A 59 18.706 -3.104 17.954 1.00 33.23 C ATOM 858 CG LYS A 59 19.374 -4.299 18.613 1.00 44.44 C ATOM 859 CD LYS A 59 18.766 -4.599 19.972 1.00 32.21 C ATOM 860 CE LYS A 59 18.744 -6.094 20.255 1.00 53.43 C ATOM 861 NZ LYS A 59 17.672 -6.787 19.488 1.00 61.31 N ATOM 0 H LYS A 59 19.628 -3.457 15.693 1.00 71.34 H new ATOM 0 HA LYS A 59 17.289 -4.400 16.985 1.00 3.40 H new ATOM 0 HB2 LYS A 59 19.474 -2.405 17.623 1.00 33.23 H new ATOM 0 HB3 LYS A 59 18.099 -2.583 18.695 1.00 33.23 H new ATOM 0 HG2 LYS A 59 19.276 -5.173 17.969 1.00 44.44 H new ATOM 0 HG3 LYS A 59 20.441 -4.104 18.726 1.00 44.44 H new ATOM 0 HD2 LYS A 59 19.337 -4.089 20.748 1.00 32.21 H new ATOM 0 HD3 LYS A 59 17.751 -4.205 20.013 1.00 32.21 H new ATOM 0 HE2 LYS A 59 19.711 -6.526 19.999 1.00 53.43 H new ATOM 0 HE3 LYS A 59 18.593 -6.260 21.322 1.00 53.43 H new ATOM 0 HZ1 LYS A 59 17.588 -7.769 19.819 1.00 61.31 H new ATOM 0 HZ2 LYS A 59 16.768 -6.295 19.633 1.00 61.31 H new ATOM 0 HZ3 LYS A 59 17.911 -6.782 18.476 1.00 61.31 H new ATOM 875 N GLN A 60 17.262 -1.267 15.931 1.00 33.31 N ATOM 876 CA GLN A 60 16.386 -0.140 15.634 1.00 35.23 C ATOM 877 C GLN A 60 15.305 -0.539 14.635 1.00 70.14 C ATOM 878 O GLN A 60 14.277 0.127 14.518 1.00 60.42 O ATOM 879 CB GLN A 60 17.198 1.033 15.084 1.00 52.40 C ATOM 880 CG GLN A 60 17.866 1.870 16.163 1.00 22.22 C ATOM 881 CD GLN A 60 17.802 3.356 15.873 1.00 50.31 C ATOM 882 OE1 GLN A 60 18.153 3.737 14.650 1.00 13.52 O flip ATOM 883 NE2 GLN A 60 17.441 4.154 16.738 1.00 23.31 N flip ATOM 0 H GLN A 60 18.236 -1.127 15.662 1.00 33.31 H new ATOM 0 HA GLN A 60 15.902 0.166 16.562 1.00 35.23 H new ATOM 0 HB2 GLN A 60 17.962 0.650 14.408 1.00 52.40 H new ATOM 0 HB3 GLN A 60 16.542 1.673 14.494 1.00 52.40 H new ATOM 0 HG2 GLN A 60 17.387 1.670 17.121 1.00 22.22 H new ATOM 0 HG3 GLN A 60 18.909 1.567 16.259 1.00 22.22 H new ATOM 0 HE21 GLN A 60 17.180 3.818 17.665 1.00 23.31 H new ATOM 0 HE22 GLN A 60 17.403 5.151 16.528 1.00 23.31 H new ATOM 892 N GLY A 61 15.546 -1.631 13.914 1.00 14.35 N ATOM 893 CA GLY A 61 14.584 -2.099 12.934 1.00 61.14 C ATOM 894 C GLY A 61 14.716 -1.383 11.604 1.00 0.43 C ATOM 895 O GLY A 61 13.727 -1.184 10.898 1.00 0.32 O ATOM 0 H GLY A 61 16.390 -2.199 13.992 1.00 14.35 H new ATOM 0 HA2 GLY A 61 14.717 -3.170 12.781 1.00 61.14 H new ATOM 0 HA3 GLY A 61 13.576 -1.955 13.322 1.00 61.14 H new ATOM 899 N ILE A 62 15.940 -0.993 11.263 1.00 14.31 N ATOM 900 CA ILE A 62 16.196 -0.294 10.010 1.00 4.41 C ATOM 901 C ILE A 62 17.553 -0.682 9.432 1.00 10.10 C ATOM 902 O ILE A 62 18.551 -0.740 10.150 1.00 45.44 O ATOM 903 CB ILE A 62 16.149 1.234 10.198 1.00 43.20 C ATOM 904 CG1 ILE A 62 16.968 1.645 11.424 1.00 72.32 C ATOM 905 CG2 ILE A 62 14.710 1.707 10.333 1.00 14.21 C ATOM 906 CD1 ILE A 62 16.933 3.131 11.703 1.00 23.14 C ATOM 0 H ILE A 62 16.769 -1.149 11.836 1.00 14.31 H new ATOM 0 HA ILE A 62 15.409 -0.591 9.316 1.00 4.41 H new ATOM 0 HB ILE A 62 16.585 1.707 9.318 1.00 43.20 H new ATOM 0 HG12 ILE A 62 16.593 1.111 12.297 1.00 72.32 H new ATOM 0 HG13 ILE A 62 18.003 1.335 11.280 1.00 72.32 H new ATOM 0 HG21 ILE A 62 14.693 2.789 10.465 1.00 14.21 H new ATOM 0 HG22 ILE A 62 14.154 1.443 9.433 1.00 14.21 H new ATOM 0 HG23 ILE A 62 14.249 1.229 11.197 1.00 14.21 H new ATOM 0 HD11 ILE A 62 17.535 3.350 12.585 1.00 23.14 H new ATOM 0 HD12 ILE A 62 17.335 3.672 10.846 1.00 23.14 H new ATOM 0 HD13 ILE A 62 15.904 3.444 11.879 1.00 23.14 H new ATOM 918 N SER A 63 17.582 -0.946 8.130 1.00 55.24 N ATOM 919 CA SER A 63 18.815 -1.331 7.454 1.00 4.45 C ATOM 920 C SER A 63 19.883 -0.253 7.617 1.00 13.53 C ATOM 921 O SER A 63 19.610 0.834 8.129 1.00 63.33 O ATOM 922 CB SER A 63 18.552 -1.583 5.969 1.00 55.33 C ATOM 923 OG SER A 63 19.549 -2.419 5.408 1.00 33.24 O ATOM 0 H SER A 63 16.765 -0.900 7.522 1.00 55.24 H new ATOM 0 HA SER A 63 19.178 -2.251 7.912 1.00 4.45 H new ATOM 0 HB2 SER A 63 17.573 -2.045 5.843 1.00 55.33 H new ATOM 0 HB3 SER A 63 18.527 -0.633 5.435 1.00 55.33 H new ATOM 0 HG SER A 63 19.356 -2.566 4.458 1.00 33.24 H new ATOM 929 N ARG A 64 21.099 -0.561 7.179 1.00 75.55 N ATOM 930 CA ARG A 64 22.208 0.379 7.276 1.00 11.32 C ATOM 931 C ARG A 64 22.233 1.317 6.073 1.00 41.12 C ATOM 932 O ARG A 64 23.261 1.471 5.415 1.00 60.34 O ATOM 933 CB ARG A 64 23.536 -0.374 7.377 1.00 13.33 C ATOM 934 CG ARG A 64 23.752 -1.380 6.259 1.00 33.32 C ATOM 935 CD ARG A 64 24.924 -0.987 5.374 1.00 54.42 C ATOM 936 NE ARG A 64 25.626 -2.153 4.844 1.00 14.33 N ATOM 937 CZ ARG A 64 26.837 -2.098 4.302 1.00 2.44 C ATOM 938 NH1 ARG A 64 27.478 -0.940 4.219 1.00 11.14 N ATOM 939 NH2 ARG A 64 27.410 -3.202 3.843 1.00 64.53 N ATOM 0 H ARG A 64 21.341 -1.456 6.753 1.00 75.55 H new ATOM 0 HA ARG A 64 22.067 0.976 8.177 1.00 11.32 H new ATOM 0 HB2 ARG A 64 24.354 0.346 7.369 1.00 13.33 H new ATOM 0 HB3 ARG A 64 23.578 -0.893 8.335 1.00 13.33 H new ATOM 0 HG2 ARG A 64 23.932 -2.367 6.686 1.00 33.32 H new ATOM 0 HG3 ARG A 64 22.848 -1.454 5.655 1.00 33.32 H new ATOM 0 HD2 ARG A 64 24.564 -0.374 4.548 1.00 54.42 H new ATOM 0 HD3 ARG A 64 25.620 -0.374 5.946 1.00 54.42 H new ATOM 0 HE ARG A 64 25.160 -3.059 4.893 1.00 14.33 H new ATOM 0 HH11 ARG A 64 27.041 -0.089 4.572 1.00 11.14 H new ATOM 0 HH12 ARG A 64 28.408 -0.901 3.802 1.00 11.14 H new ATOM 0 HH21 ARG A 64 26.921 -4.095 3.906 1.00 64.53 H new ATOM 0 HH22 ARG A 64 28.340 -3.159 3.427 1.00 64.53 H new ATOM 953 N ASN A 65 21.094 1.941 5.791 1.00 12.25 N ATOM 954 CA ASN A 65 20.985 2.863 4.667 1.00 51.04 C ATOM 955 C ASN A 65 20.284 4.152 5.085 1.00 33.33 C ATOM 956 O ASN A 65 19.522 4.735 4.314 1.00 33.31 O ATOM 957 CB ASN A 65 20.223 2.206 3.514 1.00 61.02 C ATOM 958 CG ASN A 65 20.996 1.062 2.888 1.00 63.53 C ATOM 959 OD1 ASN A 65 20.528 -0.077 2.859 1.00 12.42 O ATOM 960 ND2 ASN A 65 22.188 1.359 2.382 1.00 13.23 N ATOM 0 H ASN A 65 20.233 1.825 6.326 1.00 12.25 H new ATOM 0 HA ASN A 65 21.993 3.111 4.334 1.00 51.04 H new ATOM 0 HB2 ASN A 65 19.265 1.837 3.879 1.00 61.02 H new ATOM 0 HB3 ASN A 65 20.006 2.955 2.752 1.00 61.02 H new ATOM 0 HD21 ASN A 65 22.754 0.630 1.948 1.00 13.23 H new ATOM 0 HD22 ASN A 65 22.537 2.316 2.428 1.00 13.23 H new ATOM 967 N SER A 66 20.547 4.591 6.312 1.00 63.21 N ATOM 968 CA SER A 66 19.939 5.809 6.835 1.00 65.31 C ATOM 969 C SER A 66 20.740 6.352 8.015 1.00 74.31 C ATOM 970 O SER A 66 20.204 7.053 8.873 1.00 34.55 O ATOM 971 CB SER A 66 18.496 5.540 7.264 1.00 73.15 C ATOM 972 OG SER A 66 17.616 6.516 6.732 1.00 31.54 O ATOM 0 H SER A 66 21.177 4.121 6.962 1.00 63.21 H new ATOM 0 HA SER A 66 19.941 6.557 6.042 1.00 65.31 H new ATOM 0 HB2 SER A 66 18.192 4.549 6.927 1.00 73.15 H new ATOM 0 HB3 SER A 66 18.430 5.541 8.352 1.00 73.15 H new ATOM 0 HG SER A 66 16.699 6.321 7.019 1.00 31.54 H new ATOM 978 N VAL A 67 22.027 6.022 8.051 1.00 50.55 N ATOM 979 CA VAL A 67 22.903 6.477 9.124 1.00 50.12 C ATOM 980 C VAL A 67 24.354 6.537 8.660 1.00 1.34 C ATOM 981 O VAL A 67 24.939 5.521 8.284 1.00 11.40 O ATOM 982 CB VAL A 67 22.806 5.557 10.355 1.00 64.41 C ATOM 983 CG1 VAL A 67 21.535 5.845 11.139 1.00 61.32 C ATOM 984 CG2 VAL A 67 22.863 4.096 9.933 1.00 3.14 C ATOM 0 H VAL A 67 22.486 5.441 7.349 1.00 50.55 H new ATOM 0 HA VAL A 67 22.572 7.478 9.401 1.00 50.12 H new ATOM 0 HB VAL A 67 23.658 5.758 11.005 1.00 64.41 H new ATOM 0 HG11 VAL A 67 21.484 5.185 12.005 1.00 61.32 H new ATOM 0 HG12 VAL A 67 21.541 6.882 11.473 1.00 61.32 H new ATOM 0 HG13 VAL A 67 20.668 5.674 10.501 1.00 61.32 H new ATOM 0 HG21 VAL A 67 22.793 3.460 10.815 1.00 3.14 H new ATOM 0 HG22 VAL A 67 22.032 3.878 9.262 1.00 3.14 H new ATOM 0 HG23 VAL A 67 23.805 3.902 9.419 1.00 3.14 H new ATOM 994 N ARG A 68 24.930 7.735 8.691 1.00 61.40 N ATOM 995 CA ARG A 68 26.313 7.928 8.273 1.00 25.23 C ATOM 996 C ARG A 68 27.246 7.960 9.480 1.00 3.24 C ATOM 997 O ARG A 68 27.243 8.917 10.256 1.00 74.34 O ATOM 998 CB ARG A 68 26.451 9.225 7.474 1.00 12.12 C ATOM 999 CG ARG A 68 27.825 9.415 6.853 1.00 71.13 C ATOM 1000 CD ARG A 68 27.801 9.147 5.356 1.00 50.41 C ATOM 1001 NE ARG A 68 27.505 7.749 5.054 1.00 2.44 N ATOM 1002 CZ ARG A 68 27.309 7.289 3.824 1.00 34.31 C ATOM 1003 NH1 ARG A 68 27.377 8.111 2.786 1.00 35.31 N ATOM 1004 NH2 ARG A 68 27.044 6.003 3.630 1.00 30.13 N ATOM 0 H ARG A 68 24.460 8.586 9.001 1.00 61.40 H new ATOM 0 HA ARG A 68 26.595 7.087 7.639 1.00 25.23 H new ATOM 0 HB2 ARG A 68 25.700 9.237 6.684 1.00 12.12 H new ATOM 0 HB3 ARG A 68 26.238 10.070 8.129 1.00 12.12 H new ATOM 0 HG2 ARG A 68 28.171 10.432 7.036 1.00 71.13 H new ATOM 0 HG3 ARG A 68 28.538 8.745 7.333 1.00 71.13 H new ATOM 0 HD2 ARG A 68 27.053 9.785 4.886 1.00 50.41 H new ATOM 0 HD3 ARG A 68 28.766 9.415 4.925 1.00 50.41 H new ATOM 0 HE ARG A 68 27.446 7.090 5.830 1.00 2.44 H new ATOM 0 HH11 ARG A 68 27.580 9.100 2.931 1.00 35.31 H new ATOM 0 HH12 ARG A 68 27.226 7.754 1.842 1.00 35.31 H new ATOM 0 HH21 ARG A 68 26.991 5.368 4.426 1.00 30.13 H new ATOM 0 HH22 ARG A 68 26.894 5.650 2.685 1.00 30.13 H new ATOM 1018 N PHE A 69 28.044 6.908 9.634 1.00 40.44 N ATOM 1019 CA PHE A 69 28.981 6.815 10.747 1.00 42.41 C ATOM 1020 C PHE A 69 30.347 7.372 10.356 1.00 0.41 C ATOM 1021 O PHE A 69 31.072 6.771 9.562 1.00 33.33 O ATOM 1022 CB PHE A 69 29.122 5.362 11.203 1.00 61.45 C ATOM 1023 CG PHE A 69 27.888 4.818 11.864 1.00 11.40 C ATOM 1024 CD1 PHE A 69 26.898 4.203 11.115 1.00 40.14 C ATOM 1025 CD2 PHE A 69 27.718 4.922 13.235 1.00 13.41 C ATOM 1026 CE1 PHE A 69 25.761 3.703 11.721 1.00 41.22 C ATOM 1027 CE2 PHE A 69 26.583 4.424 13.847 1.00 70.10 C ATOM 1028 CZ PHE A 69 25.604 3.813 13.089 1.00 71.43 C ATOM 0 H PHE A 69 28.060 6.108 9.002 1.00 40.44 H new ATOM 0 HA PHE A 69 28.588 7.410 11.571 1.00 42.41 H new ATOM 0 HB2 PHE A 69 29.366 4.741 10.341 1.00 61.45 H new ATOM 0 HB3 PHE A 69 29.959 5.287 11.897 1.00 61.45 H new ATOM 0 HD1 PHE A 69 27.016 4.113 10.045 1.00 40.14 H new ATOM 0 HD2 PHE A 69 28.481 5.398 13.833 1.00 13.41 H new ATOM 0 HE1 PHE A 69 24.996 3.227 11.126 1.00 41.22 H new ATOM 0 HE2 PHE A 69 26.462 4.513 14.917 1.00 70.10 H new ATOM 0 HZ PHE A 69 24.717 3.422 13.565 1.00 71.43 H new ATOM 1038 N LEU A 70 30.692 8.525 10.918 1.00 12.55 N ATOM 1039 CA LEU A 70 31.970 9.166 10.629 1.00 24.44 C ATOM 1040 C LEU A 70 32.842 9.229 11.879 1.00 4.23 C ATOM 1041 O LEU A 70 32.336 9.322 12.998 1.00 45.21 O ATOM 1042 CB LEU A 70 31.745 10.575 10.079 1.00 73.22 C ATOM 1043 CG LEU A 70 30.587 11.360 10.697 1.00 22.42 C ATOM 1044 CD1 LEU A 70 30.934 11.795 12.112 1.00 14.34 C ATOM 1045 CD2 LEU A 70 30.240 12.565 9.836 1.00 40.11 C ATOM 0 H LEU A 70 30.104 9.036 11.577 1.00 12.55 H new ATOM 0 HA LEU A 70 32.486 8.568 9.878 1.00 24.44 H new ATOM 0 HB2 LEU A 70 32.661 11.148 10.218 1.00 73.22 H new ATOM 0 HB3 LEU A 70 31.575 10.501 9.005 1.00 73.22 H new ATOM 0 HG LEU A 70 29.714 10.709 10.743 1.00 22.42 H new ATOM 0 HD11 LEU A 70 30.099 12.352 12.536 1.00 14.34 H new ATOM 0 HD12 LEU A 70 31.132 10.916 12.725 1.00 14.34 H new ATOM 0 HD13 LEU A 70 31.820 12.429 12.091 1.00 14.34 H new ATOM 0 HD21 LEU A 70 29.414 13.112 10.291 1.00 40.11 H new ATOM 0 HD22 LEU A 70 31.109 13.219 9.758 1.00 40.11 H new ATOM 0 HD23 LEU A 70 29.948 12.229 8.841 1.00 40.11 H new ATOM 1057 N PHE A 71 34.156 9.181 11.681 1.00 34.44 N ATOM 1058 CA PHE A 71 35.099 9.234 12.792 1.00 34.04 C ATOM 1059 C PHE A 71 36.100 10.369 12.602 1.00 40.43 C ATOM 1060 O PHE A 71 37.003 10.282 11.770 1.00 62.43 O ATOM 1061 CB PHE A 71 35.840 7.902 12.924 1.00 32.15 C ATOM 1062 CG PHE A 71 37.071 7.983 13.781 1.00 42.44 C ATOM 1063 CD1 PHE A 71 37.049 8.667 14.985 1.00 4.34 C ATOM 1064 CD2 PHE A 71 38.251 7.376 13.380 1.00 13.53 C ATOM 1065 CE1 PHE A 71 38.181 8.744 15.776 1.00 73.12 C ATOM 1066 CE2 PHE A 71 39.385 7.449 14.167 1.00 51.33 C ATOM 1067 CZ PHE A 71 39.350 8.135 15.365 1.00 23.13 C ATOM 0 H PHE A 71 34.591 9.106 10.762 1.00 34.44 H new ATOM 0 HA PHE A 71 34.535 9.420 13.706 1.00 34.04 H new ATOM 0 HB2 PHE A 71 35.163 7.159 13.344 1.00 32.15 H new ATOM 0 HB3 PHE A 71 36.121 7.552 11.931 1.00 32.15 H new ATOM 0 HD1 PHE A 71 36.137 9.146 15.310 1.00 4.34 H new ATOM 0 HD2 PHE A 71 38.285 6.840 12.443 1.00 13.53 H new ATOM 0 HE1 PHE A 71 38.151 9.279 16.713 1.00 73.12 H new ATOM 0 HE2 PHE A 71 40.298 6.970 13.845 1.00 51.33 H new ATOM 0 HZ PHE A 71 40.236 8.195 15.980 1.00 23.13 H new ATOM 1077 N ASP A 72 35.932 11.434 13.378 1.00 44.42 N ATOM 1078 CA ASP A 72 36.821 12.588 13.296 1.00 61.33 C ATOM 1079 C ASP A 72 36.874 13.133 11.872 1.00 60.32 C ATOM 1080 O ASP A 72 37.901 13.646 11.431 1.00 42.23 O ATOM 1081 CB ASP A 72 38.227 12.209 13.763 1.00 44.12 C ATOM 1082 CG ASP A 72 38.813 13.228 14.721 1.00 61.32 C ATOM 1083 OD1 ASP A 72 38.491 13.162 15.925 1.00 4.24 O ATOM 1084 OD2 ASP A 72 39.593 14.091 14.266 1.00 53.13 O ATOM 0 H ASP A 72 35.189 11.523 14.071 1.00 44.42 H new ATOM 0 HA ASP A 72 36.427 13.367 13.949 1.00 61.33 H new ATOM 0 HB2 ASP A 72 38.195 11.234 14.249 1.00 44.12 H new ATOM 0 HB3 ASP A 72 38.881 12.111 12.896 1.00 44.12 H new ATOM 1089 N GLY A 73 35.759 13.016 11.157 1.00 60.12 N ATOM 1090 CA GLY A 73 35.700 13.500 9.790 1.00 2.00 C ATOM 1091 C GLY A 73 35.893 12.392 8.774 1.00 52.13 C ATOM 1092 O GLY A 73 36.046 12.653 7.580 1.00 45.20 O ATOM 0 H GLY A 73 34.896 12.595 11.500 1.00 60.12 H new ATOM 0 HA2 GLY A 73 34.737 13.981 9.620 1.00 2.00 H new ATOM 0 HA3 GLY A 73 36.467 14.261 9.644 1.00 2.00 H new ATOM 1096 N THR A 74 35.887 11.150 9.247 1.00 74.55 N ATOM 1097 CA THR A 74 36.065 9.998 8.371 1.00 32.24 C ATOM 1098 C THR A 74 34.768 9.208 8.231 1.00 44.44 C ATOM 1099 O THR A 74 34.540 8.215 8.921 1.00 0.13 O ATOM 1100 CB THR A 74 37.169 9.060 8.895 1.00 42.23 C ATOM 1101 OG1 THR A 74 38.355 9.811 9.180 1.00 53.01 O ATOM 1102 CG2 THR A 74 37.483 7.974 7.878 1.00 64.45 C ATOM 0 H THR A 74 35.761 10.916 10.232 1.00 74.55 H new ATOM 0 HA THR A 74 36.359 10.385 7.395 1.00 32.24 H new ATOM 0 HB THR A 74 36.810 8.587 9.809 1.00 42.23 H new ATOM 0 HG1 THR A 74 38.293 10.191 10.081 1.00 53.01 H new ATOM 0 HG21 THR A 74 38.265 7.324 8.270 1.00 64.45 H new ATOM 0 HG22 THR A 74 36.586 7.386 7.685 1.00 64.45 H new ATOM 0 HG23 THR A 74 37.824 8.432 6.950 1.00 64.45 H new ATOM 1110 N PRO A 75 33.898 9.658 7.315 1.00 74.33 N ATOM 1111 CA PRO A 75 32.609 9.006 7.061 1.00 0.31 C ATOM 1112 C PRO A 75 32.769 7.648 6.386 1.00 13.41 C ATOM 1113 O PRO A 75 32.920 7.565 5.167 1.00 74.11 O ATOM 1114 CB PRO A 75 31.894 9.986 6.128 1.00 53.50 C ATOM 1115 CG PRO A 75 32.990 10.733 5.451 1.00 43.54 C ATOM 1116 CD PRO A 75 34.104 10.836 6.456 1.00 61.33 C ATOM 0 HA PRO A 75 32.067 8.802 7.984 1.00 0.31 H new ATOM 0 HB2 PRO A 75 31.268 9.461 5.406 1.00 53.50 H new ATOM 0 HB3 PRO A 75 31.242 10.659 6.685 1.00 53.50 H new ATOM 0 HG2 PRO A 75 33.321 10.211 4.553 1.00 43.54 H new ATOM 0 HG3 PRO A 75 32.653 11.722 5.139 1.00 43.54 H new ATOM 0 HD2 PRO A 75 35.082 10.817 5.975 1.00 61.33 H new ATOM 0 HD3 PRO A 75 34.047 11.764 7.026 1.00 61.33 H new ATOM 1124 N ILE A 76 32.734 6.588 7.186 1.00 62.33 N ATOM 1125 CA ILE A 76 32.874 5.234 6.664 1.00 34.22 C ATOM 1126 C ILE A 76 32.116 4.231 7.528 1.00 2.22 C ATOM 1127 O ILE A 76 32.031 4.386 8.747 1.00 63.33 O ATOM 1128 CB ILE A 76 34.352 4.811 6.584 1.00 64.03 C ATOM 1129 CG1 ILE A 76 35.142 5.800 5.724 1.00 41.10 C ATOM 1130 CG2 ILE A 76 34.470 3.402 6.023 1.00 25.41 C ATOM 1131 CD1 ILE A 76 36.605 5.443 5.581 1.00 30.42 C ATOM 0 H ILE A 76 32.610 6.640 8.197 1.00 62.33 H new ATOM 0 HA ILE A 76 32.451 5.238 5.659 1.00 34.22 H new ATOM 0 HB ILE A 76 34.771 4.817 7.590 1.00 64.03 H new ATOM 0 HG12 ILE A 76 34.690 5.849 4.733 1.00 41.10 H new ATOM 0 HG13 ILE A 76 35.060 6.795 6.161 1.00 41.10 H new ATOM 0 HG21 ILE A 76 35.521 3.117 5.973 1.00 25.41 H new ATOM 0 HG22 ILE A 76 33.936 2.707 6.671 1.00 25.41 H new ATOM 0 HG23 ILE A 76 34.037 3.371 5.023 1.00 25.41 H new ATOM 0 HD11 ILE A 76 37.102 6.187 4.959 1.00 30.42 H new ATOM 0 HD12 ILE A 76 37.072 5.422 6.565 1.00 30.42 H new ATOM 0 HD13 ILE A 76 36.696 4.462 5.115 1.00 30.42 H new ATOM 1143 N ASP A 77 31.569 3.203 6.890 1.00 71.04 N ATOM 1144 CA ASP A 77 30.821 2.172 7.600 1.00 54.32 C ATOM 1145 C ASP A 77 31.594 0.858 7.623 1.00 25.24 C ATOM 1146 O ASP A 77 31.446 0.024 6.731 1.00 33.53 O ATOM 1147 CB ASP A 77 29.454 1.962 6.946 1.00 40.20 C ATOM 1148 CG ASP A 77 28.592 3.209 6.992 1.00 24.20 C ATOM 1149 OD1 ASP A 77 28.924 4.131 7.766 1.00 11.41 O ATOM 1150 OD2 ASP A 77 27.587 3.262 6.253 1.00 1.34 O ATOM 0 H ASP A 77 31.629 3.061 5.882 1.00 71.04 H new ATOM 0 HA ASP A 77 30.677 2.506 8.628 1.00 54.32 H new ATOM 0 HB2 ASP A 77 29.594 1.659 5.908 1.00 40.20 H new ATOM 0 HB3 ASP A 77 28.935 1.146 7.450 1.00 40.20 H new ATOM 1155 N GLU A 78 32.421 0.682 8.649 1.00 23.04 N ATOM 1156 CA GLU A 78 33.220 -0.530 8.787 1.00 33.41 C ATOM 1157 C GLU A 78 34.065 -0.484 10.056 1.00 3.25 C ATOM 1158 O GLU A 78 34.117 0.536 10.745 1.00 23.22 O ATOM 1159 CB GLU A 78 34.123 -0.714 7.566 1.00 61.12 C ATOM 1160 CG GLU A 78 33.666 -1.822 6.632 1.00 24.51 C ATOM 1161 CD GLU A 78 33.716 -1.413 5.173 1.00 63.42 C ATOM 1162 OE1 GLU A 78 33.367 -0.253 4.870 1.00 21.04 O ATOM 1163 OE2 GLU A 78 34.104 -2.253 4.334 1.00 52.13 O ATOM 0 H GLU A 78 32.555 1.363 9.396 1.00 23.04 H new ATOM 0 HA GLU A 78 32.538 -1.377 8.857 1.00 33.41 H new ATOM 0 HB2 GLU A 78 34.165 0.223 7.011 1.00 61.12 H new ATOM 0 HB3 GLU A 78 35.137 -0.930 7.904 1.00 61.12 H new ATOM 0 HG2 GLU A 78 34.295 -2.700 6.781 1.00 24.51 H new ATOM 0 HG3 GLU A 78 32.647 -2.112 6.889 1.00 24.51 H new ATOM 1170 N THR A 79 34.727 -1.596 10.361 1.00 10.01 N ATOM 1171 CA THR A 79 35.569 -1.684 11.548 1.00 53.15 C ATOM 1172 C THR A 79 37.029 -1.907 11.171 1.00 72.25 C ATOM 1173 O THR A 79 37.860 -2.222 12.023 1.00 51.04 O ATOM 1174 CB THR A 79 35.111 -2.823 12.478 1.00 13.21 C ATOM 1175 OG1 THR A 79 35.768 -2.714 13.746 1.00 50.04 O ATOM 1176 CG2 THR A 79 35.411 -4.180 11.860 1.00 32.24 C ATOM 0 H THR A 79 34.696 -2.449 9.802 1.00 10.01 H new ATOM 0 HA THR A 79 35.474 -0.734 12.074 1.00 53.15 H new ATOM 0 HB THR A 79 34.034 -2.737 12.619 1.00 13.21 H new ATOM 0 HG1 THR A 79 36.713 -2.493 13.607 1.00 50.04 H new ATOM 0 HG21 THR A 79 35.079 -4.969 12.535 1.00 32.24 H new ATOM 0 HG22 THR A 79 34.886 -4.271 10.909 1.00 32.24 H new ATOM 0 HG23 THR A 79 36.484 -4.274 11.692 1.00 32.24 H new ATOM 1184 N LYS A 80 37.336 -1.742 9.888 1.00 12.14 N ATOM 1185 CA LYS A 80 38.697 -1.923 9.398 1.00 72.35 C ATOM 1186 C LYS A 80 39.272 -0.605 8.889 1.00 71.21 C ATOM 1187 O LYS A 80 40.475 -0.360 8.990 1.00 55.00 O ATOM 1188 CB LYS A 80 38.723 -2.968 8.280 1.00 73.32 C ATOM 1189 CG LYS A 80 38.403 -4.375 8.755 1.00 61.10 C ATOM 1190 CD LYS A 80 39.600 -5.019 9.435 1.00 73.54 C ATOM 1191 CE LYS A 80 39.873 -6.410 8.882 1.00 53.12 C ATOM 1192 NZ LYS A 80 38.714 -7.323 9.081 1.00 34.41 N ATOM 0 H LYS A 80 36.660 -1.483 9.169 1.00 12.14 H new ATOM 0 HA LYS A 80 39.312 -2.271 10.228 1.00 72.35 H new ATOM 0 HB2 LYS A 80 38.007 -2.682 7.510 1.00 73.32 H new ATOM 0 HB3 LYS A 80 39.709 -2.966 7.815 1.00 73.32 H new ATOM 0 HG2 LYS A 80 37.563 -4.344 9.448 1.00 61.10 H new ATOM 0 HG3 LYS A 80 38.094 -4.985 7.906 1.00 61.10 H new ATOM 0 HD2 LYS A 80 40.480 -4.392 9.295 1.00 73.54 H new ATOM 0 HD3 LYS A 80 39.420 -5.082 10.508 1.00 73.54 H new ATOM 0 HE2 LYS A 80 40.101 -6.340 7.819 1.00 53.12 H new ATOM 0 HE3 LYS A 80 40.753 -6.829 9.370 1.00 53.12 H new ATOM 0 HZ1 LYS A 80 39.021 -8.308 8.947 1.00 34.41 H new ATOM 0 HZ2 LYS A 80 38.340 -7.205 10.044 1.00 34.41 H new ATOM 0 HZ3 LYS A 80 37.970 -7.095 8.391 1.00 34.41 H new ATOM 1206 N THR A 81 38.405 0.242 8.343 1.00 41.13 N ATOM 1207 CA THR A 81 38.827 1.535 7.819 1.00 52.10 C ATOM 1208 C THR A 81 39.262 2.468 8.943 1.00 10.20 C ATOM 1209 O THR A 81 40.387 2.968 8.967 1.00 51.10 O ATOM 1210 CB THR A 81 37.700 2.210 7.014 1.00 31.23 C ATOM 1211 OG1 THR A 81 36.584 1.321 6.894 1.00 60.45 O ATOM 1212 CG2 THR A 81 38.188 2.610 5.630 1.00 21.21 C ATOM 0 H THR A 81 37.406 0.056 8.252 1.00 41.13 H new ATOM 0 HA THR A 81 39.673 1.347 7.158 1.00 52.10 H new ATOM 0 HB THR A 81 37.392 3.110 7.547 1.00 31.23 H new ATOM 0 HG1 THR A 81 36.367 1.195 5.947 1.00 60.45 H new ATOM 0 HG21 THR A 81 37.375 3.084 5.081 1.00 21.21 H new ATOM 0 HG22 THR A 81 39.018 3.310 5.725 1.00 21.21 H new ATOM 0 HG23 THR A 81 38.521 1.723 5.091 1.00 21.21 H new ATOM 1220 N PRO A 82 38.352 2.710 9.898 1.00 30.24 N ATOM 1221 CA PRO A 82 38.620 3.584 11.044 1.00 22.23 C ATOM 1222 C PRO A 82 39.623 2.973 12.017 1.00 61.00 C ATOM 1223 O PRO A 82 40.338 3.690 12.716 1.00 23.10 O ATOM 1224 CB PRO A 82 37.249 3.727 11.710 1.00 41.14 C ATOM 1225 CG PRO A 82 36.505 2.499 11.313 1.00 62.13 C ATOM 1226 CD PRO A 82 36.991 2.148 9.934 1.00 63.23 C ATOM 0 HA PRO A 82 39.062 4.532 10.738 1.00 22.23 H new ATOM 0 HB2 PRO A 82 37.341 3.801 12.794 1.00 41.14 H new ATOM 0 HB3 PRO A 82 36.736 4.627 11.371 1.00 41.14 H new ATOM 0 HG2 PRO A 82 36.694 1.685 12.012 1.00 62.13 H new ATOM 0 HG3 PRO A 82 35.430 2.677 11.314 1.00 62.13 H new ATOM 0 HD2 PRO A 82 36.997 1.070 9.772 1.00 63.23 H new ATOM 0 HD3 PRO A 82 36.356 2.582 9.162 1.00 63.23 H new ATOM 1234 N GLU A 83 39.670 1.645 12.056 1.00 72.04 N ATOM 1235 CA GLU A 83 40.586 0.939 12.944 1.00 52.02 C ATOM 1236 C GLU A 83 42.010 0.973 12.396 1.00 54.41 C ATOM 1237 O GLU A 83 42.974 1.070 13.154 1.00 64.15 O ATOM 1238 CB GLU A 83 40.134 -0.511 13.131 1.00 63.05 C ATOM 1239 CG GLU A 83 40.746 -1.473 12.126 1.00 21.11 C ATOM 1240 CD GLU A 83 42.149 -1.902 12.509 1.00 21.32 C ATOM 1241 OE1 GLU A 83 42.388 -2.147 13.710 1.00 61.40 O ATOM 1242 OE2 GLU A 83 43.008 -1.993 11.607 1.00 21.21 O ATOM 0 H GLU A 83 39.085 1.037 11.483 1.00 72.04 H new ATOM 0 HA GLU A 83 40.575 1.443 13.910 1.00 52.02 H new ATOM 0 HB2 GLU A 83 40.394 -0.837 14.138 1.00 63.05 H new ATOM 0 HB3 GLU A 83 39.048 -0.558 13.051 1.00 63.05 H new ATOM 0 HG2 GLU A 83 40.111 -2.355 12.040 1.00 21.11 H new ATOM 0 HG3 GLU A 83 40.770 -1.000 11.144 1.00 21.11 H new ATOM 1249 N GLU A 84 42.131 0.893 11.075 1.00 61.05 N ATOM 1250 CA GLU A 84 43.437 0.913 10.426 1.00 53.45 C ATOM 1251 C GLU A 84 43.973 2.339 10.326 1.00 32.35 C ATOM 1252 O GLU A 84 45.184 2.557 10.286 1.00 4.14 O ATOM 1253 CB GLU A 84 43.347 0.292 9.030 1.00 40.51 C ATOM 1254 CG GLU A 84 44.696 -0.093 8.447 1.00 4.23 C ATOM 1255 CD GLU A 84 45.049 0.712 7.211 1.00 22.51 C ATOM 1256 OE1 GLU A 84 44.349 0.563 6.188 1.00 53.12 O ATOM 1257 OE2 GLU A 84 46.025 1.489 7.267 1.00 71.43 O ATOM 0 H GLU A 84 41.342 0.814 10.434 1.00 61.05 H new ATOM 0 HA GLU A 84 44.125 0.326 11.034 1.00 53.45 H new ATOM 0 HB2 GLU A 84 42.714 -0.594 9.076 1.00 40.51 H new ATOM 0 HB3 GLU A 84 42.858 0.998 8.358 1.00 40.51 H new ATOM 0 HG2 GLU A 84 45.468 0.051 9.202 1.00 4.23 H new ATOM 0 HG3 GLU A 84 44.690 -1.154 8.196 1.00 4.23 H new ATOM 1264 N LEU A 85 43.062 3.305 10.287 1.00 45.32 N ATOM 1265 CA LEU A 85 43.442 4.711 10.192 1.00 63.41 C ATOM 1266 C LEU A 85 43.732 5.291 11.572 1.00 21.25 C ATOM 1267 O LEU A 85 44.599 6.150 11.727 1.00 51.15 O ATOM 1268 CB LEU A 85 42.333 5.514 9.511 1.00 0.20 C ATOM 1269 CG LEU A 85 42.752 6.851 8.898 1.00 61.11 C ATOM 1270 CD1 LEU A 85 42.233 6.971 7.474 1.00 54.14 C ATOM 1271 CD2 LEU A 85 42.252 8.008 9.750 1.00 53.55 C ATOM 0 H LEU A 85 42.056 3.141 10.320 1.00 45.32 H new ATOM 0 HA LEU A 85 44.350 4.777 9.593 1.00 63.41 H new ATOM 0 HB2 LEU A 85 41.896 4.898 8.725 1.00 0.20 H new ATOM 0 HB3 LEU A 85 41.547 5.703 10.242 1.00 0.20 H new ATOM 0 HG LEU A 85 43.841 6.891 8.870 1.00 61.11 H new ATOM 0 HD11 LEU A 85 42.541 7.929 7.054 1.00 54.14 H new ATOM 0 HD12 LEU A 85 42.641 6.161 6.869 1.00 54.14 H new ATOM 0 HD13 LEU A 85 41.145 6.909 7.477 1.00 54.14 H new ATOM 0 HD21 LEU A 85 42.559 8.951 9.299 1.00 53.55 H new ATOM 0 HD22 LEU A 85 41.164 7.972 9.810 1.00 53.55 H new ATOM 0 HD23 LEU A 85 42.674 7.931 10.752 1.00 53.55 H new ATOM 1283 N GLY A 86 43.001 4.813 12.575 1.00 21.02 N ATOM 1284 CA GLY A 86 43.196 5.294 13.930 1.00 1.14 C ATOM 1285 C GLY A 86 44.218 4.476 14.695 1.00 74.32 C ATOM 1286 O GLY A 86 45.182 5.020 15.232 1.00 33.33 O ATOM 0 H GLY A 86 42.277 4.101 12.473 1.00 21.02 H new ATOM 0 HA2 GLY A 86 43.518 6.335 13.900 1.00 1.14 H new ATOM 0 HA3 GLY A 86 42.245 5.270 14.461 1.00 1.14 H new ATOM 1290 N MET A 87 44.006 3.165 14.745 1.00 75.31 N ATOM 1291 CA MET A 87 44.916 2.270 15.450 1.00 1.11 C ATOM 1292 C MET A 87 44.940 2.585 16.942 1.00 23.15 C ATOM 1293 O MET A 87 46.003 2.611 17.563 1.00 53.14 O ATOM 1294 CB MET A 87 46.327 2.383 14.870 1.00 3.12 C ATOM 1295 CG MET A 87 46.367 2.319 13.352 1.00 63.20 C ATOM 1296 SD MET A 87 47.923 1.657 12.726 1.00 42.14 S ATOM 1297 CE MET A 87 49.031 3.024 13.059 1.00 3.31 C ATOM 0 H MET A 87 43.212 2.699 14.306 1.00 75.31 H new ATOM 0 HA MET A 87 44.557 1.249 15.318 1.00 1.11 H new ATOM 0 HB2 MET A 87 46.771 3.323 15.198 1.00 3.12 H new ATOM 0 HB3 MET A 87 46.943 1.581 15.276 1.00 3.12 H new ATOM 0 HG2 MET A 87 45.544 1.699 12.996 1.00 63.20 H new ATOM 0 HG3 MET A 87 46.212 3.319 12.946 1.00 63.20 H new ATOM 0 HE1 MET A 87 50.037 2.767 12.727 1.00 3.31 H new ATOM 0 HE2 MET A 87 48.688 3.909 12.524 1.00 3.31 H new ATOM 0 HE3 MET A 87 49.044 3.229 14.129 1.00 3.31 H new ATOM 1307 N GLU A 88 43.763 2.823 17.512 1.00 51.43 N ATOM 1308 CA GLU A 88 43.651 3.138 18.931 1.00 21.43 C ATOM 1309 C GLU A 88 42.393 2.515 19.529 1.00 54.01 C ATOM 1310 O GLU A 88 41.478 2.121 18.805 1.00 62.01 O ATOM 1311 CB GLU A 88 43.633 4.653 19.141 1.00 14.20 C ATOM 1312 CG GLU A 88 43.952 5.074 20.566 1.00 51.44 C ATOM 1313 CD GLU A 88 44.197 6.566 20.692 1.00 34.40 C ATOM 1314 OE1 GLU A 88 43.243 7.343 20.477 1.00 30.11 O ATOM 1315 OE2 GLU A 88 45.341 6.955 21.005 1.00 12.23 O ATOM 0 H GLU A 88 42.874 2.804 17.013 1.00 51.43 H new ATOM 0 HA GLU A 88 44.520 2.719 19.439 1.00 21.43 H new ATOM 0 HB2 GLU A 88 44.354 5.114 18.465 1.00 14.20 H new ATOM 0 HB3 GLU A 88 42.650 5.037 18.869 1.00 14.20 H new ATOM 0 HG2 GLU A 88 43.127 4.789 21.219 1.00 51.44 H new ATOM 0 HG3 GLU A 88 44.834 4.534 20.912 1.00 51.44 H new ATOM 1322 N ASP A 89 42.354 2.430 20.854 1.00 21.40 N ATOM 1323 CA ASP A 89 41.208 1.856 21.550 1.00 25.42 C ATOM 1324 C ASP A 89 40.177 2.931 21.877 1.00 73.32 C ATOM 1325 O ASP A 89 39.337 2.751 22.759 1.00 12.50 O ATOM 1326 CB ASP A 89 41.662 1.159 22.834 1.00 15.13 C ATOM 1327 CG ASP A 89 42.626 2.005 23.642 1.00 23.32 C ATOM 1328 OD1 ASP A 89 43.831 2.008 23.314 1.00 65.40 O ATOM 1329 OD2 ASP A 89 42.176 2.664 24.602 1.00 1.20 O ATOM 0 H ASP A 89 43.103 2.751 21.468 1.00 21.40 H new ATOM 0 HA ASP A 89 40.744 1.122 20.892 1.00 25.42 H new ATOM 0 HB2 ASP A 89 40.790 0.924 23.444 1.00 15.13 H new ATOM 0 HB3 ASP A 89 42.138 0.212 22.581 1.00 15.13 H new ATOM 1334 N ASP A 90 40.247 4.047 21.161 1.00 53.42 N ATOM 1335 CA ASP A 90 39.319 5.152 21.374 1.00 33.03 C ATOM 1336 C ASP A 90 38.637 5.549 20.069 1.00 43.34 C ATOM 1337 O ASP A 90 38.504 6.734 19.762 1.00 41.21 O ATOM 1338 CB ASP A 90 40.053 6.355 21.968 1.00 52.43 C ATOM 1339 CG ASP A 90 40.470 6.127 23.407 1.00 11.02 C ATOM 1340 OD1 ASP A 90 41.062 5.065 23.692 1.00 34.45 O ATOM 1341 OD2 ASP A 90 40.205 7.011 24.248 1.00 24.05 O ATOM 0 H ASP A 90 40.937 4.211 20.428 1.00 53.42 H new ATOM 0 HA ASP A 90 38.554 4.821 22.076 1.00 33.03 H new ATOM 0 HB2 ASP A 90 40.936 6.571 21.367 1.00 52.43 H new ATOM 0 HB3 ASP A 90 39.409 7.233 21.914 1.00 52.43 H new ATOM 1346 N ASP A 91 38.209 4.551 19.303 1.00 11.54 N ATOM 1347 CA ASP A 91 37.541 4.796 18.030 1.00 2.43 C ATOM 1348 C ASP A 91 36.111 5.278 18.251 1.00 53.31 C ATOM 1349 O ASP A 91 35.270 4.544 18.771 1.00 5.21 O ATOM 1350 CB ASP A 91 37.539 3.526 17.178 1.00 1.24 C ATOM 1351 CG ASP A 91 36.637 3.644 15.966 1.00 72.22 C ATOM 1352 OD1 ASP A 91 36.401 4.782 15.510 1.00 2.24 O ATOM 1353 OD2 ASP A 91 36.166 2.597 15.473 1.00 54.43 O ATOM 0 H ASP A 91 38.313 3.565 19.542 1.00 11.54 H new ATOM 0 HA ASP A 91 38.091 5.576 17.503 1.00 2.43 H new ATOM 0 HB2 ASP A 91 38.556 3.310 16.851 1.00 1.24 H new ATOM 0 HB3 ASP A 91 37.215 2.683 17.788 1.00 1.24 H new ATOM 1358 N VAL A 92 35.841 6.517 17.853 1.00 51.45 N ATOM 1359 CA VAL A 92 34.512 7.098 18.006 1.00 23.25 C ATOM 1360 C VAL A 92 33.816 7.241 16.658 1.00 13.40 C ATOM 1361 O VAL A 92 34.448 7.567 15.653 1.00 63.41 O ATOM 1362 CB VAL A 92 34.578 8.478 18.688 1.00 60.35 C ATOM 1363 CG1 VAL A 92 35.484 8.428 19.908 1.00 11.24 C ATOM 1364 CG2 VAL A 92 35.054 9.535 17.703 1.00 52.21 C ATOM 0 H VAL A 92 36.525 7.138 17.422 1.00 51.45 H new ATOM 0 HA VAL A 92 33.939 6.417 18.636 1.00 23.25 H new ATOM 0 HB VAL A 92 33.576 8.748 19.021 1.00 60.35 H new ATOM 0 HG11 VAL A 92 35.518 9.412 20.376 1.00 11.24 H new ATOM 0 HG12 VAL A 92 35.095 7.700 20.620 1.00 11.24 H new ATOM 0 HG13 VAL A 92 36.489 8.136 19.603 1.00 11.24 H new ATOM 0 HG21 VAL A 92 35.095 10.504 18.201 1.00 52.21 H new ATOM 0 HG22 VAL A 92 36.047 9.272 17.339 1.00 52.21 H new ATOM 0 HG23 VAL A 92 34.361 9.588 16.863 1.00 52.21 H new ATOM 1374 N ILE A 93 32.510 6.997 16.644 1.00 13.41 N ATOM 1375 CA ILE A 93 31.727 7.101 15.419 1.00 13.30 C ATOM 1376 C ILE A 93 30.398 7.805 15.674 1.00 42.23 C ATOM 1377 O ILE A 93 29.583 7.344 16.473 1.00 50.31 O ATOM 1378 CB ILE A 93 31.451 5.715 14.808 1.00 63.23 C ATOM 1379 CG1 ILE A 93 31.009 4.733 15.895 1.00 62.35 C ATOM 1380 CG2 ILE A 93 32.689 5.197 14.090 1.00 52.11 C ATOM 1381 CD1 ILE A 93 29.791 3.920 15.516 1.00 53.44 C ATOM 0 H ILE A 93 31.972 6.726 17.467 1.00 13.41 H new ATOM 0 HA ILE A 93 32.318 7.688 14.716 1.00 13.30 H new ATOM 0 HB ILE A 93 30.645 5.809 14.080 1.00 63.23 H new ATOM 0 HG12 ILE A 93 31.833 4.055 16.118 1.00 62.35 H new ATOM 0 HG13 ILE A 93 30.796 5.287 16.809 1.00 62.35 H new ATOM 0 HG21 ILE A 93 32.478 4.216 13.663 1.00 52.11 H new ATOM 0 HG22 ILE A 93 32.963 5.888 13.293 1.00 52.11 H new ATOM 0 HG23 ILE A 93 33.513 5.115 14.799 1.00 52.11 H new ATOM 0 HD11 ILE A 93 29.535 3.246 16.333 1.00 53.44 H new ATOM 0 HD12 ILE A 93 28.953 4.589 15.321 1.00 53.44 H new ATOM 0 HD13 ILE A 93 30.006 3.338 14.620 1.00 53.44 H new ATOM 1393 N ASP A 94 30.186 8.923 14.988 1.00 63.12 N ATOM 1394 CA ASP A 94 28.955 9.690 15.137 1.00 31.21 C ATOM 1395 C ASP A 94 28.021 9.454 13.954 1.00 21.11 C ATOM 1396 O ASP A 94 28.390 9.686 12.803 1.00 1.54 O ATOM 1397 CB ASP A 94 29.270 11.181 15.265 1.00 71.03 C ATOM 1398 CG ASP A 94 28.077 11.986 15.741 1.00 53.14 C ATOM 1399 OD1 ASP A 94 26.936 11.617 15.393 1.00 33.10 O ATOM 1400 OD2 ASP A 94 28.284 12.986 16.460 1.00 70.01 O ATOM 0 H ASP A 94 30.851 9.318 14.323 1.00 63.12 H new ATOM 0 HA ASP A 94 28.454 9.354 16.045 1.00 31.21 H new ATOM 0 HB2 ASP A 94 30.097 11.316 15.962 1.00 71.03 H new ATOM 0 HB3 ASP A 94 29.601 11.564 14.300 1.00 71.03 H new ATOM 1405 N ALA A 95 26.810 8.990 14.246 1.00 64.42 N ATOM 1406 CA ALA A 95 25.824 8.723 13.207 1.00 54.13 C ATOM 1407 C ALA A 95 25.006 9.972 12.892 1.00 24.44 C ATOM 1408 O ALA A 95 24.284 10.483 13.747 1.00 0.22 O ATOM 1409 CB ALA A 95 24.908 7.583 13.628 1.00 43.00 C ATOM 0 H ALA A 95 26.489 8.791 15.194 1.00 64.42 H new ATOM 0 HA ALA A 95 26.357 8.431 12.302 1.00 54.13 H new ATOM 0 HB1 ALA A 95 24.177 7.395 12.842 1.00 43.00 H new ATOM 0 HB2 ALA A 95 25.500 6.683 13.796 1.00 43.00 H new ATOM 0 HB3 ALA A 95 24.390 7.853 14.548 1.00 43.00 H new ATOM 1415 N MET A 96 25.126 10.457 11.661 1.00 4.21 N ATOM 1416 CA MET A 96 24.398 11.646 11.235 1.00 53.33 C ATOM 1417 C MET A 96 23.446 11.319 10.088 1.00 23.22 C ATOM 1418 O MET A 96 23.669 10.370 9.335 1.00 12.44 O ATOM 1419 CB MET A 96 25.375 12.743 10.805 1.00 35.50 C ATOM 1420 CG MET A 96 24.828 14.149 10.987 1.00 12.11 C ATOM 1421 SD MET A 96 25.741 15.095 12.221 1.00 21.10 S ATOM 1422 CE MET A 96 25.576 16.754 11.566 1.00 30.13 C ATOM 0 H MET A 96 25.720 10.045 10.941 1.00 4.21 H new ATOM 0 HA MET A 96 23.811 12.004 12.081 1.00 53.33 H new ATOM 0 HB2 MET A 96 26.296 12.643 11.379 1.00 35.50 H new ATOM 0 HB3 MET A 96 25.635 12.596 9.757 1.00 35.50 H new ATOM 0 HG2 MET A 96 24.863 14.675 10.033 1.00 12.11 H new ATOM 0 HG3 MET A 96 23.780 14.092 11.281 1.00 12.11 H new ATOM 0 HE1 MET A 96 26.091 17.457 12.221 1.00 30.13 H new ATOM 0 HE2 MET A 96 26.017 16.797 10.570 1.00 30.13 H new ATOM 0 HE3 MET A 96 24.520 17.019 11.508 1.00 30.13 H new ATOM 1432 N VAL A 97 22.385 12.109 9.961 1.00 2.42 N ATOM 1433 CA VAL A 97 21.400 11.904 8.906 1.00 65.31 C ATOM 1434 C VAL A 97 21.788 12.657 7.639 1.00 54.45 C ATOM 1435 O VAL A 97 22.104 13.846 7.684 1.00 75.20 O ATOM 1436 CB VAL A 97 19.997 12.357 9.351 1.00 25.03 C ATOM 1437 CG1 VAL A 97 18.954 11.959 8.318 1.00 25.23 C ATOM 1438 CG2 VAL A 97 19.658 11.775 10.715 1.00 1.13 C ATOM 0 H VAL A 97 22.185 12.898 10.576 1.00 2.42 H new ATOM 0 HA VAL A 97 21.378 10.834 8.697 1.00 65.31 H new ATOM 0 HB VAL A 97 19.994 13.444 9.434 1.00 25.03 H new ATOM 0 HG11 VAL A 97 17.969 12.288 8.650 1.00 25.23 H new ATOM 0 HG12 VAL A 97 19.190 12.428 7.363 1.00 25.23 H new ATOM 0 HG13 VAL A 97 18.954 10.875 8.200 1.00 25.23 H new ATOM 0 HG21 VAL A 97 18.663 12.105 11.014 1.00 1.13 H new ATOM 0 HG22 VAL A 97 19.678 10.687 10.661 1.00 1.13 H new ATOM 0 HG23 VAL A 97 20.389 12.116 11.448 1.00 1.13 H new