USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -124:sc= 0.236 USER MOD Set 1.2: A 65 ASN : amide:sc= -0.811 K(o=-0.58,f=-2.2) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.547 X(o=0.55,f=0.1) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 165:sc= 0 (180deg=-0.185) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0171 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 84:sc= 1.29 USER MOD Single : A 57 CYS SG : rot 160:sc= -0.852 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0301 (180deg=-0.363) USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.476) USER MOD Single : A 60 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.5) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 79 THR OG1 : rot -24:sc= -0.584 USER MOD Single : A 80 LYS NZ :NH3+ -106:sc= -0.298 (180deg=-3.59!) USER MOD Single : A 81 THR OG1 : rot -86:sc= -1.43 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 45.551 0.652 27.515 1.00 63.31 N ATOM 299 CA ALA A 25 45.220 1.840 26.739 1.00 5.50 C ATOM 300 C ALA A 25 43.805 2.318 27.043 1.00 14.24 C ATOM 301 O ALA A 25 43.005 1.589 27.631 1.00 20.51 O ATOM 302 CB ALA A 25 45.377 1.560 25.252 1.00 52.43 C ATOM 0 HA ALA A 25 45.912 2.633 27.023 1.00 5.50 H new ATOM 0 HB1 ALA A 25 45.126 2.456 24.685 1.00 52.43 H new ATOM 0 HB2 ALA A 25 46.408 1.274 25.042 1.00 52.43 H new ATOM 0 HB3 ALA A 25 44.709 0.749 24.962 1.00 52.43 H new ATOM 308 N LEU A 26 43.501 3.547 26.641 1.00 53.12 N ATOM 309 CA LEU A 26 42.180 4.123 26.871 1.00 3.02 C ATOM 310 C LEU A 26 41.708 4.907 25.651 1.00 10.42 C ATOM 311 O LEU A 26 42.283 5.939 25.302 1.00 32.34 O ATOM 312 CB LEU A 26 42.207 5.035 28.099 1.00 2.00 C ATOM 313 CG LEU A 26 41.044 6.019 28.230 1.00 43.34 C ATOM 314 CD1 LEU A 26 39.727 5.273 28.374 1.00 1.11 C ATOM 315 CD2 LEU A 26 41.264 6.951 29.413 1.00 63.33 C ATOM 0 H LEU A 26 44.151 4.164 26.154 1.00 53.12 H new ATOM 0 HA LEU A 26 41.480 3.306 27.048 1.00 3.02 H new ATOM 0 HB2 LEU A 26 42.229 4.409 28.991 1.00 2.00 H new ATOM 0 HB3 LEU A 26 43.137 5.603 28.085 1.00 2.00 H new ATOM 0 HG LEU A 26 40.999 6.621 27.323 1.00 43.34 H new ATOM 0 HD11 LEU A 26 38.911 5.990 28.466 1.00 1.11 H new ATOM 0 HD12 LEU A 26 39.564 4.649 27.495 1.00 1.11 H new ATOM 0 HD13 LEU A 26 39.760 4.645 29.264 1.00 1.11 H new ATOM 0 HD21 LEU A 26 40.426 7.644 29.491 1.00 63.33 H new ATOM 0 HD22 LEU A 26 41.336 6.365 30.329 1.00 63.33 H new ATOM 0 HD23 LEU A 26 42.187 7.512 29.267 1.00 63.33 H new ATOM 327 N VAL A 27 40.656 4.413 25.007 1.00 33.21 N ATOM 328 CA VAL A 27 40.103 5.069 23.828 1.00 64.21 C ATOM 329 C VAL A 27 38.592 4.886 23.755 1.00 74.23 C ATOM 330 O VAL A 27 38.069 3.820 24.078 1.00 32.20 O ATOM 331 CB VAL A 27 40.738 4.526 22.534 1.00 25.52 C ATOM 332 CG1 VAL A 27 42.253 4.477 22.662 1.00 4.13 C ATOM 333 CG2 VAL A 27 40.179 3.150 22.203 1.00 11.22 C ATOM 0 H VAL A 27 40.169 3.560 25.282 1.00 33.21 H new ATOM 0 HA VAL A 27 40.333 6.130 23.919 1.00 64.21 H new ATOM 0 HB VAL A 27 40.488 5.202 21.716 1.00 25.52 H new ATOM 0 HG11 VAL A 27 42.684 4.091 21.738 1.00 4.13 H new ATOM 0 HG12 VAL A 27 42.635 5.481 22.849 1.00 4.13 H new ATOM 0 HG13 VAL A 27 42.527 3.824 23.491 1.00 4.13 H new ATOM 0 HG21 VAL A 27 40.639 2.782 21.286 1.00 11.22 H new ATOM 0 HG22 VAL A 27 40.397 2.462 23.020 1.00 11.22 H new ATOM 0 HG23 VAL A 27 39.100 3.219 22.066 1.00 11.22 H new ATOM 343 N ALA A 28 37.894 5.933 23.327 1.00 44.21 N ATOM 344 CA ALA A 28 36.442 5.888 23.208 1.00 23.55 C ATOM 345 C ALA A 28 36.018 5.591 21.774 1.00 35.13 C ATOM 346 O ALA A 28 36.579 6.137 20.824 1.00 21.43 O ATOM 347 CB ALA A 28 35.833 7.199 23.681 1.00 13.10 C ATOM 0 H ALA A 28 38.311 6.824 23.057 1.00 44.21 H new ATOM 0 HA ALA A 28 36.075 5.081 23.842 1.00 23.55 H new ATOM 0 HB1 ALA A 28 34.748 7.151 23.587 1.00 13.10 H new ATOM 0 HB2 ALA A 28 36.099 7.368 24.724 1.00 13.10 H new ATOM 0 HB3 ALA A 28 36.215 8.018 23.072 1.00 13.10 H new ATOM 353 N VAL A 29 35.023 4.722 21.624 1.00 13.22 N ATOM 354 CA VAL A 29 34.522 4.353 20.305 1.00 3.24 C ATOM 355 C VAL A 29 33.025 4.618 20.192 1.00 62.31 C ATOM 356 O VAL A 29 32.273 4.410 21.144 1.00 75.12 O ATOM 357 CB VAL A 29 34.795 2.869 19.997 1.00 42.14 C ATOM 358 CG1 VAL A 29 34.260 2.503 18.621 1.00 62.34 C ATOM 359 CG2 VAL A 29 36.283 2.569 20.096 1.00 3.52 C ATOM 0 H VAL A 29 34.548 4.260 22.400 1.00 13.22 H new ATOM 0 HA VAL A 29 35.052 4.970 19.580 1.00 3.24 H new ATOM 0 HB VAL A 29 34.275 2.261 20.737 1.00 42.14 H new ATOM 0 HG11 VAL A 29 34.462 1.451 18.420 1.00 62.34 H new ATOM 0 HG12 VAL A 29 33.185 2.679 18.590 1.00 62.34 H new ATOM 0 HG13 VAL A 29 34.750 3.117 17.865 1.00 62.34 H new ATOM 0 HG21 VAL A 29 36.457 1.516 19.875 1.00 3.52 H new ATOM 0 HG22 VAL A 29 36.827 3.185 19.380 1.00 3.52 H new ATOM 0 HG23 VAL A 29 36.633 2.791 21.104 1.00 3.52 H new ATOM 369 N LYS A 30 32.598 5.077 19.020 1.00 4.25 N ATOM 370 CA LYS A 30 31.190 5.369 18.780 1.00 43.13 C ATOM 371 C LYS A 30 30.698 4.671 17.516 1.00 44.34 C ATOM 372 O LYS A 30 31.177 4.948 16.416 1.00 72.04 O ATOM 373 CB LYS A 30 30.975 6.879 18.658 1.00 51.40 C ATOM 374 CG LYS A 30 29.553 7.263 18.288 1.00 14.12 C ATOM 375 CD LYS A 30 29.310 8.751 18.476 1.00 53.20 C ATOM 376 CE LYS A 30 29.050 9.445 17.148 1.00 53.51 C ATOM 377 NZ LYS A 30 28.166 10.634 17.307 1.00 60.53 N ATOM 0 H LYS A 30 33.207 5.255 18.222 1.00 4.25 H new ATOM 0 HA LYS A 30 30.617 4.994 19.628 1.00 43.13 H new ATOM 0 HB2 LYS A 30 31.236 7.352 19.605 1.00 51.40 H new ATOM 0 HB3 LYS A 30 31.657 7.275 17.905 1.00 51.40 H new ATOM 0 HG2 LYS A 30 29.360 6.990 17.251 1.00 14.12 H new ATOM 0 HG3 LYS A 30 28.851 6.698 18.902 1.00 14.12 H new ATOM 0 HD2 LYS A 30 28.458 8.901 19.139 1.00 53.20 H new ATOM 0 HD3 LYS A 30 30.175 9.204 18.961 1.00 53.20 H new ATOM 0 HE2 LYS A 30 29.998 9.754 16.708 1.00 53.51 H new ATOM 0 HE3 LYS A 30 28.591 8.741 16.454 1.00 53.51 H new ATOM 0 HZ1 LYS A 30 28.013 11.079 16.380 1.00 60.53 H new ATOM 0 HZ2 LYS A 30 27.252 10.336 17.703 1.00 60.53 H new ATOM 0 HZ3 LYS A 30 28.616 11.318 17.949 1.00 60.53 H new ATOM 391 N VAL A 31 29.739 3.766 17.680 1.00 51.10 N ATOM 392 CA VAL A 31 29.180 3.031 16.552 1.00 63.33 C ATOM 393 C VAL A 31 27.844 3.623 16.117 1.00 64.10 C ATOM 394 O VAL A 31 26.897 3.688 16.901 1.00 62.44 O ATOM 395 CB VAL A 31 28.982 1.542 16.895 1.00 42.33 C ATOM 396 CG1 VAL A 31 28.131 1.391 18.146 1.00 13.20 C ATOM 397 CG2 VAL A 31 28.356 0.804 15.721 1.00 13.42 C ATOM 0 H VAL A 31 29.333 3.524 18.584 1.00 51.10 H new ATOM 0 HA VAL A 31 29.895 3.116 15.734 1.00 63.33 H new ATOM 0 HB VAL A 31 29.958 1.099 17.094 1.00 42.33 H new ATOM 0 HG11 VAL A 31 28.002 0.333 18.373 1.00 13.20 H new ATOM 0 HG12 VAL A 31 28.625 1.884 18.984 1.00 13.20 H new ATOM 0 HG13 VAL A 31 27.155 1.848 17.980 1.00 13.20 H new ATOM 0 HG21 VAL A 31 28.223 -0.246 15.980 1.00 13.42 H new ATOM 0 HG22 VAL A 31 27.387 1.246 15.489 1.00 13.42 H new ATOM 0 HG23 VAL A 31 29.009 0.883 14.852 1.00 13.42 H new ATOM 407 N VAL A 32 27.775 4.054 14.862 1.00 41.35 N ATOM 408 CA VAL A 32 26.554 4.640 14.321 1.00 44.22 C ATOM 409 C VAL A 32 25.960 3.760 13.227 1.00 43.33 C ATOM 410 O VAL A 32 26.681 3.049 12.528 1.00 4.41 O ATOM 411 CB VAL A 32 26.812 6.047 13.749 1.00 4.03 C ATOM 412 CG1 VAL A 32 27.366 6.968 14.826 1.00 33.22 C ATOM 413 CG2 VAL A 32 27.759 5.974 12.561 1.00 24.50 C ATOM 0 H VAL A 32 28.550 4.009 14.200 1.00 41.35 H new ATOM 0 HA VAL A 32 25.847 4.716 15.147 1.00 44.22 H new ATOM 0 HB VAL A 32 25.864 6.459 13.404 1.00 4.03 H new ATOM 0 HG11 VAL A 32 27.542 7.957 14.404 1.00 33.22 H new ATOM 0 HG12 VAL A 32 26.649 7.045 15.643 1.00 33.22 H new ATOM 0 HG13 VAL A 32 28.305 6.563 15.204 1.00 33.22 H new ATOM 0 HG21 VAL A 32 27.930 6.977 12.170 1.00 24.50 H new ATOM 0 HG22 VAL A 32 28.708 5.542 12.878 1.00 24.50 H new ATOM 0 HG23 VAL A 32 27.319 5.351 11.782 1.00 24.50 H new ATOM 423 N ASN A 33 24.640 3.814 13.083 1.00 21.04 N ATOM 424 CA ASN A 33 23.948 3.021 12.074 1.00 50.34 C ATOM 425 C ASN A 33 23.255 3.922 11.056 1.00 51.21 C ATOM 426 O ASN A 33 22.888 5.056 11.364 1.00 71.34 O ATOM 427 CB ASN A 33 22.923 2.097 12.735 1.00 43.22 C ATOM 428 CG ASN A 33 23.574 1.046 13.613 1.00 65.04 C ATOM 429 OD1 ASN A 33 23.593 -0.137 13.273 1.00 23.21 O ATOM 430 ND2 ASN A 33 24.112 1.475 14.749 1.00 63.53 N ATOM 0 H ASN A 33 24.028 4.399 13.652 1.00 21.04 H new ATOM 0 HA ASN A 33 24.689 2.415 11.553 1.00 50.34 H new ATOM 0 HB2 ASN A 33 22.235 2.692 13.335 1.00 43.22 H new ATOM 0 HB3 ASN A 33 22.330 1.606 11.964 1.00 43.22 H new ATOM 0 HD21 ASN A 33 24.565 0.814 15.380 1.00 63.53 H new ATOM 0 HD22 ASN A 33 24.073 2.465 14.990 1.00 63.53 H new ATOM 437 N ALA A 34 23.079 3.409 9.843 1.00 71.03 N ATOM 438 CA ALA A 34 22.428 4.165 8.780 1.00 13.44 C ATOM 439 C ALA A 34 21.040 4.629 9.208 1.00 15.34 C ATOM 440 O ALA A 34 20.516 5.615 8.689 1.00 44.24 O ATOM 441 CB ALA A 34 22.339 3.327 7.514 1.00 51.12 C ATOM 0 H ALA A 34 23.378 2.472 9.572 1.00 71.03 H new ATOM 0 HA ALA A 34 23.031 5.049 8.575 1.00 13.44 H new ATOM 0 HB1 ALA A 34 21.851 3.904 6.729 1.00 51.12 H new ATOM 0 HB2 ALA A 34 23.342 3.050 7.190 1.00 51.12 H new ATOM 0 HB3 ALA A 34 21.760 2.425 7.714 1.00 51.12 H new ATOM 447 N ASP A 35 20.448 3.913 10.158 1.00 60.44 N ATOM 448 CA ASP A 35 19.120 4.251 10.656 1.00 51.32 C ATOM 449 C ASP A 35 19.184 5.442 11.607 1.00 12.11 C ATOM 450 O ASP A 35 18.204 6.166 11.778 1.00 42.42 O ATOM 451 CB ASP A 35 18.496 3.049 11.365 1.00 21.45 C ATOM 452 CG ASP A 35 18.371 1.841 10.457 1.00 12.31 C ATOM 453 OD1 ASP A 35 17.370 1.758 9.715 1.00 52.24 O ATOM 454 OD2 ASP A 35 19.274 0.980 10.488 1.00 62.10 O ATOM 0 H ASP A 35 20.867 3.094 10.599 1.00 60.44 H new ATOM 0 HA ASP A 35 18.497 4.522 9.803 1.00 51.32 H new ATOM 0 HB2 ASP A 35 19.103 2.787 12.232 1.00 21.45 H new ATOM 0 HB3 ASP A 35 17.509 3.323 11.738 1.00 21.45 H new ATOM 459 N GLY A 36 20.345 5.638 12.226 1.00 75.34 N ATOM 460 CA GLY A 36 20.514 6.741 13.153 1.00 22.11 C ATOM 461 C GLY A 36 20.975 6.282 14.522 1.00 35.43 C ATOM 462 O GLY A 36 21.806 6.932 15.155 1.00 33.24 O ATOM 0 H GLY A 36 21.171 5.052 12.102 1.00 75.34 H new ATOM 0 HA2 GLY A 36 21.239 7.446 12.746 1.00 22.11 H new ATOM 0 HA3 GLY A 36 19.570 7.277 13.252 1.00 22.11 H new ATOM 466 N ALA A 37 20.432 5.159 14.981 1.00 31.34 N ATOM 467 CA ALA A 37 20.792 4.613 16.284 1.00 2.12 C ATOM 468 C ALA A 37 22.305 4.487 16.427 1.00 61.40 C ATOM 469 O ALA A 37 22.957 3.805 15.637 1.00 71.13 O ATOM 470 CB ALA A 37 20.126 3.261 16.493 1.00 15.50 C ATOM 0 H ALA A 37 19.741 4.610 14.470 1.00 31.34 H new ATOM 0 HA ALA A 37 20.437 5.303 17.050 1.00 2.12 H new ATOM 0 HB1 ALA A 37 20.404 2.866 17.470 1.00 15.50 H new ATOM 0 HB2 ALA A 37 19.043 3.377 16.443 1.00 15.50 H new ATOM 0 HB3 ALA A 37 20.453 2.570 15.716 1.00 15.50 H new ATOM 476 N GLU A 38 22.857 5.148 17.439 1.00 12.43 N ATOM 477 CA GLU A 38 24.294 5.110 17.683 1.00 11.24 C ATOM 478 C GLU A 38 24.590 5.050 19.179 1.00 4.31 C ATOM 479 O GLU A 38 23.779 5.475 20.001 1.00 52.22 O ATOM 480 CB GLU A 38 24.971 6.336 17.067 1.00 62.13 C ATOM 481 CG GLU A 38 24.360 7.655 17.508 1.00 41.23 C ATOM 482 CD GLU A 38 23.918 8.513 16.338 1.00 1.21 C ATOM 483 OE1 GLU A 38 24.653 8.565 15.330 1.00 62.33 O ATOM 484 OE2 GLU A 38 22.838 9.133 16.431 1.00 61.01 O ATOM 0 H GLU A 38 22.331 5.716 18.103 1.00 12.43 H new ATOM 0 HA GLU A 38 24.693 4.210 17.215 1.00 11.24 H new ATOM 0 HB2 GLU A 38 26.028 6.328 17.332 1.00 62.13 H new ATOM 0 HB3 GLU A 38 24.914 6.264 15.981 1.00 62.13 H new ATOM 0 HG2 GLU A 38 23.504 7.457 18.153 1.00 41.23 H new ATOM 0 HG3 GLU A 38 25.087 8.207 18.104 1.00 41.23 H new ATOM 491 N MET A 39 25.759 4.519 19.524 1.00 52.11 N ATOM 492 CA MET A 39 26.163 4.404 20.920 1.00 21.13 C ATOM 493 C MET A 39 27.679 4.503 21.057 1.00 0.34 C ATOM 494 O MET A 39 28.422 3.837 20.337 1.00 24.51 O ATOM 495 CB MET A 39 25.672 3.080 21.508 1.00 31.42 C ATOM 496 CG MET A 39 26.126 1.860 20.722 1.00 11.32 C ATOM 497 SD MET A 39 25.219 0.368 21.170 1.00 34.11 S ATOM 498 CE MET A 39 26.549 -0.669 21.773 1.00 71.13 C ATOM 0 H MET A 39 26.442 4.162 18.856 1.00 52.11 H new ATOM 0 HA MET A 39 25.711 5.228 21.472 1.00 21.13 H new ATOM 0 HB2 MET A 39 26.028 2.994 22.535 1.00 31.42 H new ATOM 0 HB3 MET A 39 24.583 3.091 21.548 1.00 31.42 H new ATOM 0 HG2 MET A 39 25.999 2.051 19.656 1.00 11.32 H new ATOM 0 HG3 MET A 39 27.190 1.698 20.892 1.00 11.32 H new ATOM 0 HE1 MET A 39 26.132 -1.510 22.328 1.00 71.13 H new ATOM 0 HE2 MET A 39 27.130 -1.043 20.930 1.00 71.13 H new ATOM 0 HE3 MET A 39 27.196 -0.086 22.429 1.00 71.13 H new ATOM 508 N PHE A 40 28.131 5.340 21.986 1.00 62.23 N ATOM 509 CA PHE A 40 29.559 5.527 22.216 1.00 50.12 C ATOM 510 C PHE A 40 29.918 5.235 23.670 1.00 43.51 C ATOM 511 O PHE A 40 29.127 5.487 24.579 1.00 22.21 O ATOM 512 CB PHE A 40 29.973 6.955 21.853 1.00 74.21 C ATOM 513 CG PHE A 40 29.498 7.985 22.837 1.00 13.13 C ATOM 514 CD1 PHE A 40 28.154 8.314 22.922 1.00 45.54 C ATOM 515 CD2 PHE A 40 30.394 8.624 23.679 1.00 63.33 C ATOM 516 CE1 PHE A 40 27.715 9.263 23.826 1.00 61.30 C ATOM 517 CE2 PHE A 40 29.961 9.573 24.586 1.00 73.55 C ATOM 518 CZ PHE A 40 28.619 9.892 24.660 1.00 61.42 C ATOM 0 H PHE A 40 27.529 5.899 22.591 1.00 62.23 H new ATOM 0 HA PHE A 40 30.099 4.827 21.579 1.00 50.12 H new ATOM 0 HB2 PHE A 40 31.060 7.003 21.785 1.00 74.21 H new ATOM 0 HB3 PHE A 40 29.580 7.199 20.866 1.00 74.21 H new ATOM 0 HD1 PHE A 40 27.442 7.823 22.275 1.00 45.54 H new ATOM 0 HD2 PHE A 40 31.444 8.377 23.626 1.00 63.33 H new ATOM 0 HE1 PHE A 40 26.666 9.513 23.880 1.00 61.30 H new ATOM 0 HE2 PHE A 40 30.670 10.064 25.236 1.00 73.55 H new ATOM 0 HZ PHE A 40 28.277 10.632 25.369 1.00 61.42 H new ATOM 528 N PHE A 41 31.117 4.703 23.881 1.00 23.13 N ATOM 529 CA PHE A 41 31.582 4.375 25.224 1.00 22.10 C ATOM 530 C PHE A 41 33.104 4.270 25.262 1.00 30.32 C ATOM 531 O PHE A 41 33.750 4.088 24.230 1.00 23.22 O ATOM 532 CB PHE A 41 30.957 3.061 25.696 1.00 32.24 C ATOM 533 CG PHE A 41 30.267 3.169 27.026 1.00 4.15 C ATOM 534 CD1 PHE A 41 30.983 3.038 28.205 1.00 3.05 C ATOM 535 CD2 PHE A 41 28.903 3.401 27.098 1.00 42.34 C ATOM 536 CE1 PHE A 41 30.352 3.137 29.431 1.00 0.51 C ATOM 537 CE2 PHE A 41 28.267 3.502 28.320 1.00 13.12 C ATOM 538 CZ PHE A 41 28.992 3.369 29.488 1.00 33.24 C ATOM 0 H PHE A 41 31.784 4.490 23.140 1.00 23.13 H new ATOM 0 HA PHE A 41 31.274 5.177 25.894 1.00 22.10 H new ATOM 0 HB2 PHE A 41 30.239 2.721 24.950 1.00 32.24 H new ATOM 0 HB3 PHE A 41 31.735 2.300 25.760 1.00 32.24 H new ATOM 0 HD1 PHE A 41 32.047 2.856 28.166 1.00 3.05 H new ATOM 0 HD2 PHE A 41 28.330 3.504 26.188 1.00 42.34 H new ATOM 0 HE1 PHE A 41 30.922 3.033 30.343 1.00 0.51 H new ATOM 0 HE2 PHE A 41 27.203 3.685 28.362 1.00 13.12 H new ATOM 0 HZ PHE A 41 28.496 3.446 30.444 1.00 33.24 H new ATOM 548 N ARG A 42 33.669 4.386 26.459 1.00 23.13 N ATOM 549 CA ARG A 42 35.115 4.306 26.633 1.00 73.14 C ATOM 550 C ARG A 42 35.548 2.873 26.930 1.00 40.30 C ATOM 551 O ARG A 42 34.911 2.173 27.717 1.00 23.33 O ATOM 552 CB ARG A 42 35.566 5.232 27.764 1.00 61.24 C ATOM 553 CG ARG A 42 35.062 4.810 29.134 1.00 22.31 C ATOM 554 CD ARG A 42 35.363 5.865 30.187 1.00 32.43 C ATOM 555 NE ARG A 42 35.344 5.310 31.538 1.00 13.23 N ATOM 556 CZ ARG A 42 35.429 6.051 32.638 1.00 70.32 C ATOM 557 NH1 ARG A 42 35.538 7.369 32.546 1.00 21.15 N ATOM 558 NH2 ARG A 42 35.405 5.473 33.832 1.00 74.30 N ATOM 0 H ARG A 42 33.148 4.536 27.323 1.00 23.13 H new ATOM 0 HA ARG A 42 35.586 4.624 25.703 1.00 73.14 H new ATOM 0 HB2 ARG A 42 36.655 5.266 27.782 1.00 61.24 H new ATOM 0 HB3 ARG A 42 35.219 6.244 27.554 1.00 61.24 H new ATOM 0 HG2 ARG A 42 33.987 4.635 29.089 1.00 22.31 H new ATOM 0 HG3 ARG A 42 35.527 3.866 29.419 1.00 22.31 H new ATOM 0 HD2 ARG A 42 36.340 6.306 29.990 1.00 32.43 H new ATOM 0 HD3 ARG A 42 34.630 6.669 30.115 1.00 32.43 H new ATOM 0 HE ARG A 42 35.261 4.299 31.643 1.00 13.23 H new ATOM 0 HH11 ARG A 42 35.557 7.816 31.630 1.00 21.15 H new ATOM 0 HH12 ARG A 42 35.603 7.936 33.392 1.00 21.15 H new ATOM 0 HH21 ARG A 42 35.321 4.459 33.906 1.00 74.30 H new ATOM 0 HH22 ARG A 42 35.470 6.042 34.676 1.00 74.30 H new ATOM 572 N ILE A 43 36.634 2.445 26.295 1.00 52.32 N ATOM 573 CA ILE A 43 37.152 1.097 26.492 1.00 52.21 C ATOM 574 C ILE A 43 38.612 1.001 26.062 1.00 74.14 C ATOM 575 O ILE A 43 39.100 1.830 25.294 1.00 63.03 O ATOM 576 CB ILE A 43 36.328 0.057 25.709 1.00 10.55 C ATOM 577 CG1 ILE A 43 36.624 -1.353 26.224 1.00 3.55 C ATOM 578 CG2 ILE A 43 36.626 0.157 24.221 1.00 50.11 C ATOM 579 CD1 ILE A 43 35.635 -2.391 25.745 1.00 33.31 C ATOM 0 H ILE A 43 37.172 3.012 25.640 1.00 52.32 H new ATOM 0 HA ILE A 43 37.075 0.882 27.558 1.00 52.21 H new ATOM 0 HB ILE A 43 35.269 0.264 25.862 1.00 10.55 H new ATOM 0 HG12 ILE A 43 37.626 -1.644 25.907 1.00 3.55 H new ATOM 0 HG13 ILE A 43 36.626 -1.340 27.314 1.00 3.55 H new ATOM 0 HG21 ILE A 43 36.036 -0.584 23.681 1.00 50.11 H new ATOM 0 HG22 ILE A 43 36.369 1.155 23.865 1.00 50.11 H new ATOM 0 HG23 ILE A 43 37.686 -0.028 24.049 1.00 50.11 H new ATOM 0 HD11 ILE A 43 35.907 -3.366 26.149 1.00 33.31 H new ATOM 0 HD12 ILE A 43 34.634 -2.124 26.084 1.00 33.31 H new ATOM 0 HD13 ILE A 43 35.650 -2.432 24.656 1.00 33.31 H new ATOM 591 N LYS A 44 39.304 -0.018 26.560 1.00 14.01 N ATOM 592 CA LYS A 44 40.707 -0.227 26.226 1.00 44.52 C ATOM 593 C LYS A 44 40.884 -0.435 24.725 1.00 21.21 C ATOM 594 O LYS A 44 40.116 -1.162 24.095 1.00 22.43 O ATOM 595 CB LYS A 44 41.261 -1.433 26.988 1.00 53.22 C ATOM 596 CG LYS A 44 41.425 -1.188 28.478 1.00 42.23 C ATOM 597 CD LYS A 44 42.889 -1.182 28.884 1.00 44.55 C ATOM 598 CE LYS A 44 43.270 -2.458 29.618 1.00 71.13 C ATOM 599 NZ LYS A 44 43.126 -2.313 31.093 1.00 63.32 N ATOM 0 H LYS A 44 38.915 -0.713 27.197 1.00 14.01 H new ATOM 0 HA LYS A 44 41.261 0.665 26.519 1.00 44.52 H new ATOM 0 HB2 LYS A 44 40.595 -2.283 26.839 1.00 53.22 H new ATOM 0 HB3 LYS A 44 42.227 -1.707 26.565 1.00 53.22 H new ATOM 0 HG2 LYS A 44 40.969 -0.234 28.743 1.00 42.23 H new ATOM 0 HG3 LYS A 44 40.895 -1.961 29.035 1.00 42.23 H new ATOM 0 HD2 LYS A 44 43.513 -1.071 27.997 1.00 44.55 H new ATOM 0 HD3 LYS A 44 43.087 -0.321 29.522 1.00 44.55 H new ATOM 0 HE2 LYS A 44 42.642 -3.278 29.271 1.00 71.13 H new ATOM 0 HE3 LYS A 44 44.300 -2.722 29.378 1.00 71.13 H new ATOM 0 HZ1 LYS A 44 43.395 -3.204 31.557 1.00 63.32 H new ATOM 0 HZ2 LYS A 44 43.744 -1.547 31.429 1.00 63.32 H new ATOM 0 HZ3 LYS A 44 42.138 -2.087 31.325 1.00 63.32 H new ATOM 613 N SER A 45 41.901 0.206 24.159 1.00 43.23 N ATOM 614 CA SER A 45 42.177 0.092 22.731 1.00 2.44 C ATOM 615 C SER A 45 42.349 -1.368 22.326 1.00 34.40 C ATOM 616 O SER A 45 42.127 -1.734 21.171 1.00 4.43 O ATOM 617 CB SER A 45 43.434 0.885 22.369 1.00 44.13 C ATOM 618 OG SER A 45 44.488 0.021 21.981 1.00 61.45 O ATOM 0 H SER A 45 42.548 0.810 24.667 1.00 43.23 H new ATOM 0 HA SER A 45 41.327 0.504 22.187 1.00 2.44 H new ATOM 0 HB2 SER A 45 43.210 1.577 21.558 1.00 44.13 H new ATOM 0 HB3 SER A 45 43.747 1.485 23.223 1.00 44.13 H new ATOM 0 HG SER A 45 45.279 0.552 21.753 1.00 61.45 H new ATOM 624 N ARG A 46 42.744 -2.199 23.285 1.00 64.33 N ATOM 625 CA ARG A 46 42.947 -3.620 23.029 1.00 62.24 C ATOM 626 C ARG A 46 41.623 -4.311 22.717 1.00 13.11 C ATOM 627 O ARG A 46 41.597 -5.393 22.129 1.00 53.51 O ATOM 628 CB ARG A 46 43.612 -4.288 24.234 1.00 13.30 C ATOM 629 CG ARG A 46 45.131 -4.269 24.180 1.00 15.21 C ATOM 630 CD ARG A 46 45.656 -5.062 22.994 1.00 52.23 C ATOM 631 NE ARG A 46 45.059 -6.392 22.917 1.00 32.52 N ATOM 632 CZ ARG A 46 45.351 -7.378 23.758 1.00 33.42 C ATOM 633 NH1 ARG A 46 46.227 -7.184 24.734 1.00 33.03 N ATOM 634 NH2 ARG A 46 44.765 -8.562 23.624 1.00 45.30 N ATOM 0 H ARG A 46 42.930 -1.913 24.246 1.00 64.33 H new ATOM 0 HA ARG A 46 43.601 -3.717 22.162 1.00 62.24 H new ATOM 0 HB2 ARG A 46 43.283 -3.786 25.144 1.00 13.30 H new ATOM 0 HB3 ARG A 46 43.272 -5.322 24.299 1.00 13.30 H new ATOM 0 HG2 ARG A 46 45.481 -3.239 24.114 1.00 15.21 H new ATOM 0 HG3 ARG A 46 45.534 -4.684 25.104 1.00 15.21 H new ATOM 0 HD2 ARG A 46 45.448 -4.517 22.073 1.00 52.23 H new ATOM 0 HD3 ARG A 46 46.739 -5.155 23.071 1.00 52.23 H new ATOM 0 HE ARG A 46 44.381 -6.574 22.177 1.00 32.52 H new ATOM 0 HH11 ARG A 46 46.679 -6.276 24.841 1.00 33.03 H new ATOM 0 HH12 ARG A 46 46.449 -7.943 25.378 1.00 33.03 H new ATOM 0 HH21 ARG A 46 44.090 -8.715 22.875 1.00 45.30 H new ATOM 0 HH22 ARG A 46 44.990 -9.318 24.270 1.00 45.30 H new ATOM 648 N THR A 47 40.523 -3.679 23.116 1.00 2.12 N ATOM 649 CA THR A 47 39.196 -4.233 22.882 1.00 54.53 C ATOM 650 C THR A 47 38.155 -3.127 22.746 1.00 40.14 C ATOM 651 O THR A 47 37.887 -2.393 23.697 1.00 60.44 O ATOM 652 CB THR A 47 38.774 -5.182 24.019 1.00 12.32 C ATOM 653 OG1 THR A 47 39.609 -4.976 25.164 1.00 61.00 O ATOM 654 CG2 THR A 47 38.864 -6.633 23.574 1.00 74.51 C ATOM 0 H THR A 47 40.526 -2.783 23.603 1.00 2.12 H new ATOM 0 HA THR A 47 39.249 -4.796 21.950 1.00 54.53 H new ATOM 0 HB THR A 47 37.739 -4.963 24.280 1.00 12.32 H new ATOM 0 HG1 THR A 47 39.333 -5.582 25.883 1.00 61.00 H new ATOM 0 HG21 THR A 47 38.561 -7.284 24.394 1.00 74.51 H new ATOM 0 HG22 THR A 47 38.205 -6.793 22.721 1.00 74.51 H new ATOM 0 HG23 THR A 47 39.890 -6.863 23.288 1.00 74.51 H new ATOM 662 N ALA A 48 37.571 -3.013 21.557 1.00 30.52 N ATOM 663 CA ALA A 48 36.557 -1.999 21.298 1.00 3.30 C ATOM 664 C ALA A 48 35.619 -2.433 20.177 1.00 64.31 C ATOM 665 O ALA A 48 34.466 -2.789 20.422 1.00 72.24 O ATOM 666 CB ALA A 48 37.216 -0.671 20.953 1.00 73.10 C ATOM 0 H ALA A 48 37.783 -3.611 20.758 1.00 30.52 H new ATOM 0 HA ALA A 48 35.964 -1.874 22.204 1.00 3.30 H new ATOM 0 HB1 ALA A 48 36.447 0.078 20.762 1.00 73.10 H new ATOM 0 HB2 ALA A 48 37.839 -0.347 21.786 1.00 73.10 H new ATOM 0 HB3 ALA A 48 37.834 -0.792 20.063 1.00 73.10 H new ATOM 672 N LEU A 49 36.121 -2.402 18.947 1.00 14.31 N ATOM 673 CA LEU A 49 35.327 -2.792 17.787 1.00 32.11 C ATOM 674 C LEU A 49 34.962 -4.272 17.850 1.00 45.03 C ATOM 675 O LEU A 49 33.967 -4.703 17.268 1.00 54.32 O ATOM 676 CB LEU A 49 36.094 -2.498 16.497 1.00 63.30 C ATOM 677 CG LEU A 49 35.443 -1.497 15.542 1.00 63.10 C ATOM 678 CD1 LEU A 49 33.999 -1.885 15.265 1.00 1.23 C ATOM 679 CD2 LEU A 49 35.519 -0.089 16.113 1.00 43.51 C ATOM 0 H LEU A 49 37.074 -2.111 18.727 1.00 14.31 H new ATOM 0 HA LEU A 49 34.406 -2.209 17.795 1.00 32.11 H new ATOM 0 HB2 LEU A 49 37.083 -2.125 16.763 1.00 63.30 H new ATOM 0 HB3 LEU A 49 36.240 -3.437 15.963 1.00 63.30 H new ATOM 0 HG LEU A 49 35.989 -1.515 14.599 1.00 63.10 H new ATOM 0 HD11 LEU A 49 33.552 -1.161 14.584 1.00 1.23 H new ATOM 0 HD12 LEU A 49 33.969 -2.876 14.812 1.00 1.23 H new ATOM 0 HD13 LEU A 49 33.439 -1.896 16.200 1.00 1.23 H new ATOM 0 HD21 LEU A 49 35.051 0.610 15.420 1.00 43.51 H new ATOM 0 HD22 LEU A 49 34.998 -0.056 17.070 1.00 43.51 H new ATOM 0 HD23 LEU A 49 36.563 0.189 16.259 1.00 43.51 H new ATOM 691 N LYS A 50 35.775 -5.046 18.561 1.00 34.33 N ATOM 692 CA LYS A 50 35.537 -6.478 18.704 1.00 1.21 C ATOM 693 C LYS A 50 34.291 -6.742 19.543 1.00 54.42 C ATOM 694 O LYS A 50 33.390 -7.469 19.124 1.00 61.23 O ATOM 695 CB LYS A 50 36.750 -7.155 19.347 1.00 73.24 C ATOM 696 CG LYS A 50 38.007 -7.084 18.497 1.00 20.14 C ATOM 697 CD LYS A 50 37.819 -7.787 17.163 1.00 3.03 C ATOM 698 CE LYS A 50 37.500 -9.262 17.351 1.00 64.33 C ATOM 699 NZ LYS A 50 36.131 -9.599 16.871 1.00 24.12 N ATOM 0 H LYS A 50 36.605 -4.706 19.047 1.00 34.33 H new ATOM 0 HA LYS A 50 35.379 -6.896 17.710 1.00 1.21 H new ATOM 0 HB2 LYS A 50 36.947 -6.688 20.312 1.00 73.24 H new ATOM 0 HB3 LYS A 50 36.511 -8.201 19.542 1.00 73.24 H new ATOM 0 HG2 LYS A 50 38.273 -6.041 18.325 1.00 20.14 H new ATOM 0 HG3 LYS A 50 38.838 -7.540 19.036 1.00 20.14 H new ATOM 0 HD2 LYS A 50 37.013 -7.307 16.608 1.00 3.03 H new ATOM 0 HD3 LYS A 50 38.724 -7.683 16.565 1.00 3.03 H new ATOM 0 HE2 LYS A 50 38.232 -9.863 16.812 1.00 64.33 H new ATOM 0 HE3 LYS A 50 37.589 -9.521 18.406 1.00 64.33 H new ATOM 0 HZ1 LYS A 50 35.952 -10.613 17.016 1.00 24.12 H new ATOM 0 HZ2 LYS A 50 35.430 -9.044 17.403 1.00 24.12 H new ATOM 0 HZ3 LYS A 50 36.053 -9.376 15.858 1.00 24.12 H new ATOM 713 N LYS A 51 34.244 -6.145 20.729 1.00 51.31 N ATOM 714 CA LYS A 51 33.107 -6.312 21.626 1.00 32.21 C ATOM 715 C LYS A 51 31.884 -5.567 21.100 1.00 62.10 C ATOM 716 O LYS A 51 30.746 -5.960 21.360 1.00 51.25 O ATOM 717 CB LYS A 51 33.459 -5.810 23.028 1.00 31.32 C ATOM 718 CG LYS A 51 33.288 -6.861 24.111 1.00 33.33 C ATOM 719 CD LYS A 51 34.253 -6.637 25.263 1.00 31.23 C ATOM 720 CE LYS A 51 35.581 -7.338 25.022 1.00 31.42 C ATOM 721 NZ LYS A 51 36.151 -7.894 26.281 1.00 70.55 N ATOM 0 H LYS A 51 34.981 -5.540 21.092 1.00 51.31 H new ATOM 0 HA LYS A 51 32.869 -7.375 21.676 1.00 32.21 H new ATOM 0 HB2 LYS A 51 34.492 -5.462 23.031 1.00 31.32 H new ATOM 0 HB3 LYS A 51 32.832 -4.951 23.265 1.00 31.32 H new ATOM 0 HG2 LYS A 51 32.264 -6.838 24.483 1.00 33.33 H new ATOM 0 HG3 LYS A 51 33.450 -7.852 23.687 1.00 33.33 H new ATOM 0 HD2 LYS A 51 34.423 -5.568 25.394 1.00 31.23 H new ATOM 0 HD3 LYS A 51 33.809 -7.005 26.188 1.00 31.23 H new ATOM 0 HE2 LYS A 51 35.441 -8.143 24.300 1.00 31.42 H new ATOM 0 HE3 LYS A 51 36.288 -6.635 24.582 1.00 31.42 H new ATOM 0 HZ1 LYS A 51 37.056 -8.364 26.075 1.00 70.55 H new ATOM 0 HZ2 LYS A 51 36.308 -7.123 26.961 1.00 70.55 H new ATOM 0 HZ3 LYS A 51 35.487 -8.584 26.687 1.00 70.55 H new ATOM 735 N LEU A 52 32.126 -4.492 20.359 1.00 44.42 N ATOM 736 CA LEU A 52 31.045 -3.692 19.794 1.00 34.04 C ATOM 737 C LEU A 52 30.305 -4.466 18.708 1.00 44.15 C ATOM 738 O LEU A 52 29.082 -4.600 18.750 1.00 0.23 O ATOM 739 CB LEU A 52 31.595 -2.385 19.221 1.00 64.21 C ATOM 740 CG LEU A 52 31.420 -1.142 20.094 1.00 22.43 C ATOM 741 CD1 LEU A 52 29.946 -0.884 20.365 1.00 2.12 C ATOM 742 CD2 LEU A 52 32.185 -1.296 21.401 1.00 64.44 C ATOM 0 H LEU A 52 33.062 -4.154 20.135 1.00 44.42 H new ATOM 0 HA LEU A 52 30.341 -3.462 20.594 1.00 34.04 H new ATOM 0 HB2 LEU A 52 32.658 -2.518 19.023 1.00 64.21 H new ATOM 0 HB3 LEU A 52 31.112 -2.201 18.261 1.00 64.21 H new ATOM 0 HG LEU A 52 31.826 -0.284 19.557 1.00 22.43 H new ATOM 0 HD11 LEU A 52 29.841 0.004 20.988 1.00 2.12 H new ATOM 0 HD12 LEU A 52 29.424 -0.729 19.421 1.00 2.12 H new ATOM 0 HD13 LEU A 52 29.515 -1.742 20.881 1.00 2.12 H new ATOM 0 HD21 LEU A 52 32.049 -0.402 22.010 1.00 64.44 H new ATOM 0 HD22 LEU A 52 31.809 -2.164 21.942 1.00 64.44 H new ATOM 0 HD23 LEU A 52 33.245 -1.432 21.188 1.00 64.44 H new ATOM 754 N ILE A 53 31.056 -4.975 17.736 1.00 11.33 N ATOM 755 CA ILE A 53 30.472 -5.738 16.641 1.00 71.15 C ATOM 756 C ILE A 53 29.959 -7.090 17.125 1.00 62.25 C ATOM 757 O ILE A 53 28.979 -7.619 16.598 1.00 5.35 O ATOM 758 CB ILE A 53 31.489 -5.964 15.506 1.00 3.55 C ATOM 759 CG1 ILE A 53 32.606 -6.900 15.972 1.00 33.42 C ATOM 760 CG2 ILE A 53 32.065 -4.635 15.040 1.00 44.00 C ATOM 761 CD1 ILE A 53 32.364 -8.351 15.619 1.00 72.22 C ATOM 0 H ILE A 53 32.070 -4.872 17.685 1.00 11.33 H new ATOM 0 HA ILE A 53 29.637 -5.151 16.258 1.00 71.15 H new ATOM 0 HB ILE A 53 30.976 -6.431 14.665 1.00 3.55 H new ATOM 0 HG12 ILE A 53 33.548 -6.578 15.527 1.00 33.42 H new ATOM 0 HG13 ILE A 53 32.717 -6.811 17.053 1.00 33.42 H new ATOM 0 HG21 ILE A 53 32.782 -4.810 14.238 1.00 44.00 H new ATOM 0 HG22 ILE A 53 31.260 -3.998 14.674 1.00 44.00 H new ATOM 0 HG23 ILE A 53 32.566 -4.143 15.874 1.00 44.00 H new ATOM 0 HD11 ILE A 53 33.195 -8.957 15.980 1.00 72.22 H new ATOM 0 HD12 ILE A 53 31.439 -8.690 16.086 1.00 72.22 H new ATOM 0 HD13 ILE A 53 32.283 -8.454 14.537 1.00 72.22 H new ATOM 773 N ASP A 54 30.627 -7.644 18.131 1.00 74.03 N ATOM 774 CA ASP A 54 30.237 -8.934 18.689 1.00 40.23 C ATOM 775 C ASP A 54 28.945 -8.811 19.491 1.00 62.13 C ATOM 776 O ASP A 54 28.085 -9.691 19.442 1.00 11.01 O ATOM 777 CB ASP A 54 31.353 -9.487 19.577 1.00 74.33 C ATOM 778 CG ASP A 54 31.007 -10.842 20.163 1.00 3.15 C ATOM 779 OD1 ASP A 54 30.569 -11.726 19.398 1.00 34.10 O ATOM 780 OD2 ASP A 54 31.176 -11.018 21.388 1.00 65.11 O ATOM 0 H ASP A 54 31.441 -7.220 18.577 1.00 74.03 H new ATOM 0 HA ASP A 54 30.066 -9.623 17.862 1.00 40.23 H new ATOM 0 HB2 ASP A 54 32.270 -9.570 18.994 1.00 74.33 H new ATOM 0 HB3 ASP A 54 31.552 -8.784 20.386 1.00 74.33 H new ATOM 785 N THR A 55 28.815 -7.714 20.230 1.00 5.21 N ATOM 786 CA THR A 55 27.630 -7.477 21.045 1.00 44.44 C ATOM 787 C THR A 55 26.438 -7.085 20.179 1.00 31.43 C ATOM 788 O THR A 55 25.308 -7.502 20.437 1.00 64.31 O ATOM 789 CB THR A 55 27.878 -6.371 22.088 1.00 51.20 C ATOM 790 OG1 THR A 55 28.910 -6.775 22.995 1.00 52.13 O ATOM 791 CG2 THR A 55 26.606 -6.064 22.864 1.00 73.34 C ATOM 0 H THR A 55 29.516 -6.975 20.281 1.00 5.21 H new ATOM 0 HA THR A 55 27.409 -8.411 21.562 1.00 44.44 H new ATOM 0 HB THR A 55 28.190 -5.469 21.561 1.00 51.20 H new ATOM 0 HG1 THR A 55 29.786 -6.572 22.605 1.00 52.13 H new ATOM 0 HG21 THR A 55 26.806 -5.280 23.595 1.00 73.34 H new ATOM 0 HG22 THR A 55 25.831 -5.729 22.175 1.00 73.34 H new ATOM 0 HG23 THR A 55 26.268 -6.963 23.380 1.00 73.34 H new ATOM 799 N TYR A 56 26.696 -6.283 19.152 1.00 20.44 N ATOM 800 CA TYR A 56 25.643 -5.835 18.250 1.00 53.44 C ATOM 801 C TYR A 56 25.126 -6.990 17.398 1.00 65.04 C ATOM 802 O TYR A 56 23.920 -7.142 17.203 1.00 12.12 O ATOM 803 CB TYR A 56 26.159 -4.712 17.348 1.00 61.23 C ATOM 804 CG TYR A 56 25.157 -3.602 17.129 1.00 54.25 C ATOM 805 CD1 TYR A 56 23.856 -3.882 16.729 1.00 72.11 C ATOM 806 CD2 TYR A 56 25.510 -2.272 17.322 1.00 22.02 C ATOM 807 CE1 TYR A 56 22.937 -2.871 16.527 1.00 40.42 C ATOM 808 CE2 TYR A 56 24.597 -1.254 17.124 1.00 65.11 C ATOM 809 CZ TYR A 56 23.312 -1.558 16.726 1.00 64.42 C ATOM 810 OH TYR A 56 22.400 -0.548 16.527 1.00 53.01 O ATOM 0 H TYR A 56 27.625 -5.930 18.924 1.00 20.44 H new ATOM 0 HA TYR A 56 24.819 -5.457 18.855 1.00 53.44 H new ATOM 0 HB2 TYR A 56 27.064 -4.292 17.787 1.00 61.23 H new ATOM 0 HB3 TYR A 56 26.439 -5.133 16.382 1.00 61.23 H new ATOM 0 HD1 TYR A 56 23.558 -4.908 16.573 1.00 72.11 H new ATOM 0 HD2 TYR A 56 26.516 -2.030 17.632 1.00 22.02 H new ATOM 0 HE1 TYR A 56 21.930 -3.107 16.215 1.00 40.42 H new ATOM 0 HE2 TYR A 56 24.888 -0.226 17.280 1.00 65.11 H new ATOM 0 HH TYR A 56 22.824 0.316 16.711 1.00 53.01 H new ATOM 820 N CYS A 57 26.049 -7.802 16.893 1.00 54.14 N ATOM 821 CA CYS A 57 25.688 -8.945 16.061 1.00 44.32 C ATOM 822 C CYS A 57 25.007 -10.028 16.891 1.00 65.13 C ATOM 823 O CYS A 57 24.024 -10.630 16.459 1.00 31.13 O ATOM 824 CB CYS A 57 26.931 -9.515 15.376 1.00 61.30 C ATOM 825 SG CYS A 57 27.435 -8.614 13.892 1.00 63.23 S ATOM 0 H CYS A 57 27.051 -7.690 17.045 1.00 54.14 H new ATOM 0 HA CYS A 57 24.987 -8.603 15.300 1.00 44.32 H new ATOM 0 HB2 CYS A 57 27.757 -9.514 16.087 1.00 61.30 H new ATOM 0 HB3 CYS A 57 26.741 -10.555 15.110 1.00 61.30 H new ATOM 0 HG CYS A 57 28.681 -8.874 13.629 1.00 63.23 H new ATOM 831 N LYS A 58 25.538 -10.273 18.084 1.00 62.11 N ATOM 832 CA LYS A 58 24.983 -11.284 18.976 1.00 61.33 C ATOM 833 C LYS A 58 23.621 -10.851 19.508 1.00 31.53 C ATOM 834 O LYS A 58 22.699 -11.660 19.615 1.00 33.21 O ATOM 835 CB LYS A 58 25.939 -11.545 20.142 1.00 60.50 C ATOM 836 CG LYS A 58 25.586 -12.780 20.953 1.00 62.42 C ATOM 837 CD LYS A 58 25.397 -12.447 22.423 1.00 2.11 C ATOM 838 CE LYS A 58 25.148 -13.698 23.251 1.00 73.21 C ATOM 839 NZ LYS A 58 26.302 -14.637 23.198 1.00 22.44 N ATOM 0 H LYS A 58 26.353 -9.785 18.456 1.00 62.11 H new ATOM 0 HA LYS A 58 24.855 -12.205 18.407 1.00 61.33 H new ATOM 0 HB2 LYS A 58 26.952 -11.653 19.753 1.00 60.50 H new ATOM 0 HB3 LYS A 58 25.941 -10.676 20.801 1.00 60.50 H new ATOM 0 HG2 LYS A 58 24.672 -13.226 20.560 1.00 62.42 H new ATOM 0 HG3 LYS A 58 26.375 -13.524 20.846 1.00 62.42 H new ATOM 0 HD2 LYS A 58 26.282 -11.932 22.797 1.00 2.11 H new ATOM 0 HD3 LYS A 58 24.557 -11.761 22.537 1.00 2.11 H new ATOM 0 HE2 LYS A 58 24.957 -13.416 24.286 1.00 73.21 H new ATOM 0 HE3 LYS A 58 24.253 -14.202 22.887 1.00 73.21 H new ATOM 0 HZ1 LYS A 58 26.229 -15.321 23.978 1.00 22.44 H new ATOM 0 HZ2 LYS A 58 26.295 -15.145 22.290 1.00 22.44 H new ATOM 0 HZ3 LYS A 58 27.189 -14.102 23.289 1.00 22.44 H new ATOM 853 N LYS A 59 23.500 -9.571 19.840 1.00 3.51 N ATOM 854 CA LYS A 59 22.250 -9.029 20.359 1.00 41.51 C ATOM 855 C LYS A 59 21.161 -9.054 19.291 1.00 22.00 C ATOM 856 O LYS A 59 20.038 -9.485 19.549 1.00 54.15 O ATOM 857 CB LYS A 59 22.459 -7.596 20.856 1.00 75.13 C ATOM 858 CG LYS A 59 21.246 -7.015 21.562 1.00 50.20 C ATOM 859 CD LYS A 59 21.535 -5.631 22.118 1.00 1.41 C ATOM 860 CE LYS A 59 21.508 -4.574 21.025 1.00 52.33 C ATOM 861 NZ LYS A 59 22.877 -4.233 20.548 1.00 30.21 N ATOM 0 H LYS A 59 24.253 -8.888 19.759 1.00 3.51 H new ATOM 0 HA LYS A 59 21.931 -9.654 21.193 1.00 41.51 H new ATOM 0 HB2 LYS A 59 23.309 -7.577 21.537 1.00 75.13 H new ATOM 0 HB3 LYS A 59 22.715 -6.960 20.009 1.00 75.13 H new ATOM 0 HG2 LYS A 59 20.410 -6.961 20.865 1.00 50.20 H new ATOM 0 HG3 LYS A 59 20.943 -7.678 22.373 1.00 50.20 H new ATOM 0 HD2 LYS A 59 20.799 -5.384 22.883 1.00 1.41 H new ATOM 0 HD3 LYS A 59 22.511 -5.629 22.603 1.00 1.41 H new ATOM 0 HE2 LYS A 59 20.911 -4.933 20.187 1.00 52.33 H new ATOM 0 HE3 LYS A 59 21.020 -3.675 21.402 1.00 52.33 H new ATOM 0 HZ1 LYS A 59 22.838 -3.964 19.544 1.00 30.21 H new ATOM 0 HZ2 LYS A 59 23.251 -3.438 21.105 1.00 30.21 H new ATOM 0 HZ3 LYS A 59 23.500 -5.058 20.661 1.00 30.21 H new ATOM 875 N GLN A 60 21.503 -8.591 18.093 1.00 71.42 N ATOM 876 CA GLN A 60 20.554 -8.563 16.986 1.00 14.54 C ATOM 877 C GLN A 60 20.131 -9.975 16.595 1.00 15.42 C ATOM 878 O GLN A 60 19.100 -10.169 15.952 1.00 42.14 O ATOM 879 CB GLN A 60 21.165 -7.848 15.780 1.00 25.02 C ATOM 880 CG GLN A 60 20.189 -7.646 14.633 1.00 53.10 C ATOM 881 CD GLN A 60 20.760 -6.783 13.525 1.00 64.50 C ATOM 882 OE1 GLN A 60 21.718 -6.038 13.734 1.00 62.41 O ATOM 883 NE2 GLN A 60 20.175 -6.880 12.337 1.00 34.22 N ATOM 0 H GLN A 60 22.429 -8.230 17.864 1.00 71.42 H new ATOM 0 HA GLN A 60 19.670 -8.016 17.313 1.00 14.54 H new ATOM 0 HB2 GLN A 60 21.545 -6.877 16.098 1.00 25.02 H new ATOM 0 HB3 GLN A 60 22.019 -8.423 15.422 1.00 25.02 H new ATOM 0 HG2 GLN A 60 19.909 -8.617 14.224 1.00 53.10 H new ATOM 0 HG3 GLN A 60 19.277 -7.185 15.014 1.00 53.10 H new ATOM 0 HE21 GLN A 60 19.384 -7.510 12.208 1.00 34.22 H new ATOM 0 HE22 GLN A 60 20.517 -6.324 11.553 1.00 34.22 H new ATOM 892 N GLY A 61 20.934 -10.958 16.988 1.00 21.44 N ATOM 893 CA GLY A 61 20.626 -12.340 16.669 1.00 21.11 C ATOM 894 C GLY A 61 21.103 -12.736 15.286 1.00 43.21 C ATOM 895 O GLY A 61 20.485 -13.570 14.624 1.00 20.10 O ATOM 0 H GLY A 61 21.793 -10.823 17.522 1.00 21.44 H new ATOM 0 HA2 GLY A 61 21.088 -12.992 17.410 1.00 21.11 H new ATOM 0 HA3 GLY A 61 19.549 -12.494 16.736 1.00 21.11 H new ATOM 899 N ILE A 62 22.204 -12.135 14.847 1.00 24.34 N ATOM 900 CA ILE A 62 22.763 -12.430 13.534 1.00 51.34 C ATOM 901 C ILE A 62 24.286 -12.484 13.584 1.00 61.35 C ATOM 902 O ILE A 62 24.928 -11.636 14.203 1.00 51.24 O ATOM 903 CB ILE A 62 22.332 -11.381 12.491 1.00 71.42 C ATOM 904 CG1 ILE A 62 22.409 -9.975 13.088 1.00 54.21 C ATOM 905 CG2 ILE A 62 20.924 -11.676 11.994 1.00 4.03 C ATOM 906 CD1 ILE A 62 23.029 -8.956 12.157 1.00 30.32 C ATOM 0 H ILE A 62 22.726 -11.441 15.382 1.00 24.34 H new ATOM 0 HA ILE A 62 22.377 -13.406 13.238 1.00 51.34 H new ATOM 0 HB ILE A 62 23.014 -11.432 11.642 1.00 71.42 H new ATOM 0 HG12 ILE A 62 21.404 -9.647 13.355 1.00 54.21 H new ATOM 0 HG13 ILE A 62 22.988 -10.012 14.011 1.00 54.21 H new ATOM 0 HG21 ILE A 62 20.634 -10.926 11.258 1.00 4.03 H new ATOM 0 HG22 ILE A 62 20.900 -12.664 11.535 1.00 4.03 H new ATOM 0 HG23 ILE A 62 20.229 -11.649 12.833 1.00 4.03 H new ATOM 0 HD11 ILE A 62 23.051 -7.982 12.646 1.00 30.32 H new ATOM 0 HD12 ILE A 62 24.046 -9.261 11.909 1.00 30.32 H new ATOM 0 HD13 ILE A 62 22.437 -8.890 11.244 1.00 30.32 H new ATOM 918 N SER A 63 24.859 -13.487 12.926 1.00 73.42 N ATOM 919 CA SER A 63 26.307 -13.654 12.896 1.00 30.35 C ATOM 920 C SER A 63 26.984 -12.420 12.308 1.00 22.23 C ATOM 921 O SER A 63 26.319 -11.513 11.808 1.00 3.10 O ATOM 922 CB SER A 63 26.682 -14.893 12.081 1.00 24.33 C ATOM 923 OG SER A 63 27.978 -15.355 12.422 1.00 42.40 O ATOM 0 H SER A 63 24.342 -14.196 12.406 1.00 73.42 H new ATOM 0 HA SER A 63 26.654 -13.784 13.921 1.00 30.35 H new ATOM 0 HB2 SER A 63 25.952 -15.683 12.258 1.00 24.33 H new ATOM 0 HB3 SER A 63 26.645 -14.658 11.017 1.00 24.33 H new ATOM 0 HG SER A 63 28.531 -15.404 11.614 1.00 42.40 H new ATOM 929 N ARG A 64 28.311 -12.394 12.373 1.00 64.25 N ATOM 930 CA ARG A 64 29.080 -11.272 11.848 1.00 51.20 C ATOM 931 C ARG A 64 29.350 -11.448 10.356 1.00 10.35 C ATOM 932 O ARG A 64 30.491 -11.353 9.907 1.00 22.11 O ATOM 933 CB ARG A 64 30.403 -11.134 12.604 1.00 73.21 C ATOM 934 CG ARG A 64 31.222 -12.414 12.636 1.00 60.02 C ATOM 935 CD ARG A 64 32.539 -12.251 11.893 1.00 1.14 C ATOM 936 NE ARG A 64 33.651 -11.987 12.803 1.00 60.31 N ATOM 937 CZ ARG A 64 34.855 -11.597 12.398 1.00 33.44 C ATOM 938 NH1 ARG A 64 35.100 -11.426 11.107 1.00 65.32 N ATOM 939 NH2 ARG A 64 35.815 -11.377 13.287 1.00 64.32 N ATOM 0 H ARG A 64 28.876 -13.137 12.784 1.00 64.25 H new ATOM 0 HA ARG A 64 28.493 -10.365 11.989 1.00 51.20 H new ATOM 0 HB2 ARG A 64 30.996 -10.345 12.141 1.00 73.21 H new ATOM 0 HB3 ARG A 64 30.196 -10.819 13.627 1.00 73.21 H new ATOM 0 HG2 ARG A 64 31.419 -12.696 13.670 1.00 60.02 H new ATOM 0 HG3 ARG A 64 30.648 -13.226 12.188 1.00 60.02 H new ATOM 0 HD2 ARG A 64 32.746 -13.155 11.320 1.00 1.14 H new ATOM 0 HD3 ARG A 64 32.453 -11.433 11.178 1.00 1.14 H new ATOM 0 HE ARG A 64 33.495 -12.109 13.804 1.00 60.31 H new ATOM 0 HH11 ARG A 64 34.364 -11.594 10.422 1.00 65.32 H new ATOM 0 HH12 ARG A 64 36.025 -11.127 10.799 1.00 65.32 H new ATOM 0 HH21 ARG A 64 35.629 -11.507 14.281 1.00 64.32 H new ATOM 0 HH22 ARG A 64 36.739 -11.078 12.976 1.00 64.32 H new ATOM 953 N ASN A 65 28.291 -11.705 9.595 1.00 44.41 N ATOM 954 CA ASN A 65 28.414 -11.895 8.154 1.00 5.12 C ATOM 955 C ASN A 65 27.318 -11.139 7.410 1.00 35.41 C ATOM 956 O ASN A 65 26.722 -11.659 6.467 1.00 73.41 O ATOM 957 CB ASN A 65 28.349 -13.384 7.808 1.00 52.30 C ATOM 958 CG ASN A 65 29.008 -14.252 8.862 1.00 64.12 C ATOM 959 OD1 ASN A 65 28.352 -15.069 9.509 1.00 45.42 O ATOM 960 ND2 ASN A 65 30.313 -14.079 9.039 1.00 0.21 N ATOM 0 H ASN A 65 27.339 -11.786 9.952 1.00 44.41 H new ATOM 0 HA ASN A 65 29.380 -11.498 7.841 1.00 5.12 H new ATOM 0 HB2 ASN A 65 27.307 -13.683 7.695 1.00 52.30 H new ATOM 0 HB3 ASN A 65 28.835 -13.552 6.847 1.00 52.30 H new ATOM 0 HD21 ASN A 65 30.812 -14.635 9.734 1.00 0.21 H new ATOM 0 HD22 ASN A 65 30.817 -13.390 8.480 1.00 0.21 H new ATOM 967 N SER A 66 27.057 -9.909 7.841 1.00 31.30 N ATOM 968 CA SER A 66 26.030 -9.083 7.218 1.00 13.31 C ATOM 969 C SER A 66 26.076 -7.658 7.761 1.00 43.43 C ATOM 970 O SER A 66 25.041 -7.016 7.943 1.00 24.34 O ATOM 971 CB SER A 66 24.645 -9.687 7.458 1.00 54.34 C ATOM 972 OG SER A 66 23.872 -9.679 6.269 1.00 4.35 O ATOM 0 H SER A 66 27.543 -9.463 8.619 1.00 31.30 H new ATOM 0 HA SER A 66 26.225 -9.052 6.146 1.00 13.31 H new ATOM 0 HB2 SER A 66 24.749 -10.709 7.821 1.00 54.34 H new ATOM 0 HB3 SER A 66 24.129 -9.123 8.235 1.00 54.34 H new ATOM 0 HG SER A 66 22.992 -10.071 6.448 1.00 4.35 H new ATOM 978 N VAL A 67 27.285 -7.168 8.017 1.00 42.32 N ATOM 979 CA VAL A 67 27.469 -5.818 8.537 1.00 32.35 C ATOM 980 C VAL A 67 28.848 -5.275 8.181 1.00 12.32 C ATOM 981 O VAL A 67 29.869 -5.862 8.538 1.00 21.04 O ATOM 982 CB VAL A 67 27.293 -5.778 10.067 1.00 33.21 C ATOM 983 CG1 VAL A 67 25.817 -5.775 10.435 1.00 32.10 C ATOM 984 CG2 VAL A 67 28.010 -6.952 10.716 1.00 1.05 C ATOM 0 H VAL A 67 28.152 -7.686 7.873 1.00 42.32 H new ATOM 0 HA VAL A 67 26.705 -5.193 8.074 1.00 32.35 H new ATOM 0 HB VAL A 67 27.738 -4.857 10.443 1.00 33.21 H new ATOM 0 HG11 VAL A 67 25.712 -5.747 11.520 1.00 32.10 H new ATOM 0 HG12 VAL A 67 25.336 -4.899 10.001 1.00 32.10 H new ATOM 0 HG13 VAL A 67 25.344 -6.678 10.048 1.00 32.10 H new ATOM 0 HG21 VAL A 67 27.875 -6.908 11.797 1.00 1.05 H new ATOM 0 HG22 VAL A 67 27.596 -7.886 10.336 1.00 1.05 H new ATOM 0 HG23 VAL A 67 29.073 -6.904 10.481 1.00 1.05 H new ATOM 994 N ARG A 68 28.870 -4.149 7.475 1.00 13.23 N ATOM 995 CA ARG A 68 30.124 -3.526 7.070 1.00 53.43 C ATOM 996 C ARG A 68 30.531 -2.433 8.054 1.00 52.44 C ATOM 997 O ARG A 68 29.876 -1.394 8.150 1.00 65.12 O ATOM 998 CB ARG A 68 29.994 -2.938 5.663 1.00 24.12 C ATOM 999 CG ARG A 68 30.084 -3.978 4.558 1.00 1.12 C ATOM 1000 CD ARG A 68 28.782 -4.750 4.412 1.00 12.53 C ATOM 1001 NE ARG A 68 28.649 -5.354 3.089 1.00 12.43 N ATOM 1002 CZ ARG A 68 27.800 -6.337 2.813 1.00 63.53 C ATOM 1003 NH1 ARG A 68 27.014 -6.825 3.762 1.00 75.42 N ATOM 1004 NH2 ARG A 68 27.737 -6.835 1.584 1.00 23.02 N ATOM 0 H ARG A 68 28.034 -3.650 7.172 1.00 13.23 H new ATOM 0 HA ARG A 68 30.898 -4.294 7.066 1.00 53.43 H new ATOM 0 HB2 ARG A 68 29.040 -2.417 5.583 1.00 24.12 H new ATOM 0 HB3 ARG A 68 30.777 -2.194 5.515 1.00 24.12 H new ATOM 0 HG2 ARG A 68 30.326 -3.488 3.615 1.00 1.12 H new ATOM 0 HG3 ARG A 68 30.897 -4.671 4.775 1.00 1.12 H new ATOM 0 HD2 ARG A 68 28.736 -5.529 5.173 1.00 12.53 H new ATOM 0 HD3 ARG A 68 27.941 -4.080 4.591 1.00 12.53 H new ATOM 0 HE ARG A 68 29.240 -5.002 2.336 1.00 12.43 H new ATOM 0 HH11 ARG A 68 27.060 -6.445 4.708 1.00 75.42 H new ATOM 0 HH12 ARG A 68 26.363 -7.580 3.547 1.00 75.42 H new ATOM 0 HH21 ARG A 68 28.341 -6.463 0.851 1.00 23.02 H new ATOM 0 HH22 ARG A 68 27.085 -7.590 1.373 1.00 23.02 H new ATOM 1018 N PHE A 69 31.615 -2.674 8.783 1.00 61.20 N ATOM 1019 CA PHE A 69 32.109 -1.712 9.761 1.00 52.42 C ATOM 1020 C PHE A 69 33.272 -0.905 9.190 1.00 13.15 C ATOM 1021 O PHE A 69 34.391 -1.405 9.073 1.00 70.53 O ATOM 1022 CB PHE A 69 32.550 -2.430 11.038 1.00 74.23 C ATOM 1023 CG PHE A 69 31.488 -3.317 11.623 1.00 24.41 C ATOM 1024 CD1 PHE A 69 30.444 -2.779 12.357 1.00 11.22 C ATOM 1025 CD2 PHE A 69 31.535 -4.690 11.439 1.00 51.22 C ATOM 1026 CE1 PHE A 69 29.467 -3.593 12.897 1.00 33.15 C ATOM 1027 CE2 PHE A 69 30.560 -5.509 11.976 1.00 22.24 C ATOM 1028 CZ PHE A 69 29.524 -4.960 12.706 1.00 41.22 C ATOM 0 H PHE A 69 32.169 -3.528 8.715 1.00 61.20 H new ATOM 0 HA PHE A 69 31.296 -1.026 10.001 1.00 52.42 H new ATOM 0 HB2 PHE A 69 33.434 -3.029 10.822 1.00 74.23 H new ATOM 0 HB3 PHE A 69 32.842 -1.688 11.781 1.00 74.23 H new ATOM 0 HD1 PHE A 69 30.393 -1.711 12.509 1.00 11.22 H new ATOM 0 HD2 PHE A 69 32.343 -5.125 10.869 1.00 51.22 H new ATOM 0 HE1 PHE A 69 28.659 -3.161 13.468 1.00 33.15 H new ATOM 0 HE2 PHE A 69 30.608 -6.577 11.825 1.00 22.24 H new ATOM 0 HZ PHE A 69 28.760 -5.598 13.126 1.00 41.22 H new ATOM 1038 N LEU A 70 32.999 0.346 8.837 1.00 13.34 N ATOM 1039 CA LEU A 70 34.021 1.224 8.278 1.00 22.05 C ATOM 1040 C LEU A 70 34.247 2.437 9.175 1.00 54.41 C ATOM 1041 O LEU A 70 33.371 2.821 9.951 1.00 74.54 O ATOM 1042 CB LEU A 70 33.618 1.680 6.875 1.00 1.21 C ATOM 1043 CG LEU A 70 32.118 1.846 6.628 1.00 22.21 C ATOM 1044 CD1 LEU A 70 31.563 2.989 7.464 1.00 73.34 C ATOM 1045 CD2 LEU A 70 31.844 2.081 5.150 1.00 71.01 C ATOM 0 H LEU A 70 32.078 0.775 8.928 1.00 13.34 H new ATOM 0 HA LEU A 70 34.953 0.663 8.217 1.00 22.05 H new ATOM 0 HB2 LEU A 70 34.107 2.632 6.670 1.00 1.21 H new ATOM 0 HB3 LEU A 70 34.007 0.960 6.155 1.00 1.21 H new ATOM 0 HG LEU A 70 31.615 0.927 6.928 1.00 22.21 H new ATOM 0 HD11 LEU A 70 30.494 3.092 7.275 1.00 73.34 H new ATOM 0 HD12 LEU A 70 31.726 2.779 8.521 1.00 73.34 H new ATOM 0 HD13 LEU A 70 32.070 3.916 7.196 1.00 73.34 H new ATOM 0 HD21 LEU A 70 30.772 2.197 4.993 1.00 71.01 H new ATOM 0 HD22 LEU A 70 32.358 2.985 4.824 1.00 71.01 H new ATOM 0 HD23 LEU A 70 32.205 1.230 4.573 1.00 71.01 H new ATOM 1057 N PHE A 71 35.426 3.039 9.061 1.00 12.44 N ATOM 1058 CA PHE A 71 35.766 4.211 9.861 1.00 62.33 C ATOM 1059 C PHE A 71 36.246 5.355 8.972 1.00 32.32 C ATOM 1060 O PHE A 71 37.394 5.370 8.527 1.00 13.22 O ATOM 1061 CB PHE A 71 36.846 3.859 10.886 1.00 64.44 C ATOM 1062 CG PHE A 71 37.580 5.056 11.418 1.00 23.13 C ATOM 1063 CD1 PHE A 71 36.886 6.170 11.863 1.00 71.54 C ATOM 1064 CD2 PHE A 71 38.965 5.068 11.474 1.00 33.13 C ATOM 1065 CE1 PHE A 71 37.558 7.273 12.354 1.00 62.13 C ATOM 1066 CE2 PHE A 71 39.642 6.168 11.965 1.00 43.12 C ATOM 1067 CZ PHE A 71 38.938 7.272 12.404 1.00 43.41 C ATOM 0 H PHE A 71 36.162 2.735 8.423 1.00 12.44 H new ATOM 0 HA PHE A 71 34.868 4.535 10.387 1.00 62.33 H new ATOM 0 HB2 PHE A 71 36.386 3.326 11.718 1.00 64.44 H new ATOM 0 HB3 PHE A 71 37.563 3.178 10.427 1.00 64.44 H new ATOM 0 HD1 PHE A 71 35.807 6.176 11.826 1.00 71.54 H new ATOM 0 HD2 PHE A 71 39.521 4.208 11.130 1.00 33.13 H new ATOM 0 HE1 PHE A 71 37.005 8.134 12.698 1.00 62.13 H new ATOM 0 HE2 PHE A 71 40.721 6.164 12.005 1.00 43.12 H new ATOM 0 HZ PHE A 71 39.466 8.133 12.786 1.00 43.41 H new ATOM 1077 N ASP A 72 35.359 6.310 8.718 1.00 14.10 N ATOM 1078 CA ASP A 72 35.690 7.459 7.883 1.00 1.02 C ATOM 1079 C ASP A 72 36.226 7.009 6.528 1.00 43.22 C ATOM 1080 O ASP A 72 37.028 7.703 5.905 1.00 42.54 O ATOM 1081 CB ASP A 72 36.720 8.346 8.585 1.00 63.45 C ATOM 1082 CG ASP A 72 36.519 9.818 8.283 1.00 74.44 C ATOM 1083 OD1 ASP A 72 35.870 10.131 7.262 1.00 64.10 O ATOM 1084 OD2 ASP A 72 37.008 10.656 9.067 1.00 3.24 O ATOM 0 H ASP A 72 34.405 6.312 9.078 1.00 14.10 H new ATOM 0 HA ASP A 72 34.778 8.034 7.720 1.00 1.02 H new ATOM 0 HB2 ASP A 72 36.658 8.187 9.662 1.00 63.45 H new ATOM 0 HB3 ASP A 72 37.722 8.048 8.276 1.00 63.45 H new ATOM 1089 N GLY A 73 35.778 5.841 6.078 1.00 41.15 N ATOM 1090 CA GLY A 73 36.225 5.318 4.800 1.00 75.04 C ATOM 1091 C GLY A 73 37.165 4.139 4.952 1.00 31.13 C ATOM 1092 O GLY A 73 37.737 3.660 3.973 1.00 70.43 O ATOM 0 H GLY A 73 35.114 5.248 6.575 1.00 41.15 H new ATOM 0 HA2 GLY A 73 35.359 5.014 4.212 1.00 75.04 H new ATOM 0 HA3 GLY A 73 36.727 6.109 4.243 1.00 75.04 H new ATOM 1096 N THR A 74 37.328 3.670 6.186 1.00 72.45 N ATOM 1097 CA THR A 74 38.207 2.541 6.464 1.00 45.51 C ATOM 1098 C THR A 74 37.407 1.299 6.838 1.00 50.23 C ATOM 1099 O THR A 74 37.192 1.000 8.012 1.00 14.25 O ATOM 1100 CB THR A 74 39.193 2.865 7.603 1.00 51.23 C ATOM 1101 OG1 THR A 74 39.642 4.220 7.492 1.00 51.34 O ATOM 1102 CG2 THR A 74 40.388 1.925 7.568 1.00 62.04 C ATOM 0 H THR A 74 36.863 4.055 7.008 1.00 72.45 H new ATOM 0 HA THR A 74 38.769 2.346 5.551 1.00 45.51 H new ATOM 0 HB THR A 74 38.674 2.732 8.552 1.00 51.23 H new ATOM 0 HG1 THR A 74 38.946 4.824 7.826 1.00 51.34 H new ATOM 0 HG21 THR A 74 41.070 2.173 8.381 1.00 62.04 H new ATOM 0 HG22 THR A 74 40.045 0.897 7.683 1.00 62.04 H new ATOM 0 HG23 THR A 74 40.906 2.031 6.615 1.00 62.04 H new ATOM 1110 N PRO A 75 36.955 0.556 5.817 1.00 41.14 N ATOM 1111 CA PRO A 75 36.172 -0.667 6.014 1.00 70.43 C ATOM 1112 C PRO A 75 37.006 -1.802 6.598 1.00 4.13 C ATOM 1113 O PRO A 75 37.664 -2.542 5.866 1.00 3.21 O ATOM 1114 CB PRO A 75 35.705 -1.021 4.600 1.00 75.03 C ATOM 1115 CG PRO A 75 36.718 -0.402 3.700 1.00 60.51 C ATOM 1116 CD PRO A 75 37.174 0.853 4.391 1.00 62.30 C ATOM 0 HA PRO A 75 35.357 -0.519 6.723 1.00 70.43 H new ATOM 0 HB2 PRO A 75 35.656 -2.101 4.458 1.00 75.03 H new ATOM 0 HB3 PRO A 75 34.708 -0.628 4.403 1.00 75.03 H new ATOM 0 HG2 PRO A 75 37.555 -1.080 3.530 1.00 60.51 H new ATOM 0 HG3 PRO A 75 36.287 -0.176 2.725 1.00 60.51 H new ATOM 0 HD2 PRO A 75 38.222 1.069 4.182 1.00 62.30 H new ATOM 0 HD3 PRO A 75 36.599 1.721 4.068 1.00 62.30 H new ATOM 1124 N ILE A 76 36.975 -1.933 7.920 1.00 34.31 N ATOM 1125 CA ILE A 76 37.727 -2.979 8.602 1.00 61.14 C ATOM 1126 C ILE A 76 36.987 -3.470 9.841 1.00 73.30 C ATOM 1127 O ILE A 76 36.245 -2.718 10.473 1.00 42.53 O ATOM 1128 CB ILE A 76 39.127 -2.487 9.015 1.00 72.31 C ATOM 1129 CG1 ILE A 76 39.823 -1.811 7.832 1.00 1.54 C ATOM 1130 CG2 ILE A 76 39.963 -3.646 9.536 1.00 30.52 C ATOM 1131 CD1 ILE A 76 41.159 -1.196 8.189 1.00 72.44 C ATOM 0 H ILE A 76 36.437 -1.328 8.540 1.00 34.31 H new ATOM 0 HA ILE A 76 37.833 -3.802 7.896 1.00 61.14 H new ATOM 0 HB ILE A 76 39.018 -1.755 9.815 1.00 72.31 H new ATOM 0 HG12 ILE A 76 39.970 -2.545 7.039 1.00 1.54 H new ATOM 0 HG13 ILE A 76 39.170 -1.035 7.431 1.00 1.54 H new ATOM 0 HG21 ILE A 76 40.949 -3.283 9.824 1.00 30.52 H new ATOM 0 HG22 ILE A 76 39.472 -4.088 10.403 1.00 30.52 H new ATOM 0 HG23 ILE A 76 40.067 -4.399 8.755 1.00 30.52 H new ATOM 0 HD11 ILE A 76 41.596 -0.735 7.303 1.00 72.44 H new ATOM 0 HD12 ILE A 76 41.017 -0.439 8.960 1.00 72.44 H new ATOM 0 HD13 ILE A 76 41.829 -1.971 8.562 1.00 72.44 H new ATOM 1143 N ASP A 77 37.194 -4.737 10.184 1.00 4.31 N ATOM 1144 CA ASP A 77 36.549 -5.329 11.350 1.00 0.42 C ATOM 1145 C ASP A 77 37.580 -5.701 12.411 1.00 11.13 C ATOM 1146 O ASP A 77 38.104 -6.814 12.417 1.00 73.31 O ATOM 1147 CB ASP A 77 35.748 -6.566 10.943 1.00 21.31 C ATOM 1148 CG ASP A 77 35.334 -7.406 12.136 1.00 51.14 C ATOM 1149 OD1 ASP A 77 34.470 -6.948 12.912 1.00 41.40 O ATOM 1150 OD2 ASP A 77 35.874 -8.521 12.293 1.00 61.11 O ATOM 0 H ASP A 77 37.804 -5.374 9.671 1.00 4.31 H new ATOM 0 HA ASP A 77 35.870 -4.589 11.773 1.00 0.42 H new ATOM 0 HB2 ASP A 77 34.859 -6.255 10.395 1.00 21.31 H new ATOM 0 HB3 ASP A 77 36.345 -7.174 10.263 1.00 21.31 H new ATOM 1155 N GLU A 78 37.866 -4.761 13.307 1.00 42.24 N ATOM 1156 CA GLU A 78 38.836 -4.991 14.371 1.00 41.41 C ATOM 1157 C GLU A 78 38.949 -3.768 15.278 1.00 73.43 C ATOM 1158 O GLU A 78 38.514 -2.673 14.920 1.00 34.04 O ATOM 1159 CB GLU A 78 40.206 -5.328 13.779 1.00 41.23 C ATOM 1160 CG GLU A 78 40.581 -6.794 13.909 1.00 23.40 C ATOM 1161 CD GLU A 78 41.225 -7.346 12.652 1.00 51.14 C ATOM 1162 OE1 GLU A 78 42.410 -7.037 12.408 1.00 3.13 O ATOM 1163 OE2 GLU A 78 40.544 -8.086 11.911 1.00 11.43 O ATOM 0 H GLU A 78 37.440 -3.834 13.317 1.00 42.24 H new ATOM 0 HA GLU A 78 38.489 -5.834 14.968 1.00 41.41 H new ATOM 0 HB2 GLU A 78 40.215 -5.052 12.725 1.00 41.23 H new ATOM 0 HB3 GLU A 78 40.965 -4.722 14.274 1.00 41.23 H new ATOM 0 HG2 GLU A 78 41.266 -6.917 14.748 1.00 23.40 H new ATOM 0 HG3 GLU A 78 39.688 -7.374 14.140 1.00 23.40 H new ATOM 1170 N THR A 79 39.535 -3.964 16.455 1.00 45.24 N ATOM 1171 CA THR A 79 39.704 -2.880 17.414 1.00 42.31 C ATOM 1172 C THR A 79 41.142 -2.375 17.425 1.00 4.45 C ATOM 1173 O THR A 79 41.490 -1.476 18.192 1.00 52.22 O ATOM 1174 CB THR A 79 39.316 -3.324 18.837 1.00 5.50 C ATOM 1175 OG1 THR A 79 39.497 -2.239 19.755 1.00 63.23 O ATOM 1176 CG2 THR A 79 40.154 -4.514 19.280 1.00 73.04 C ATOM 0 H THR A 79 39.901 -4.864 16.767 1.00 45.24 H new ATOM 0 HA THR A 79 39.042 -2.073 17.100 1.00 42.31 H new ATOM 0 HB THR A 79 38.267 -3.621 18.828 1.00 5.50 H new ATOM 0 HG1 THR A 79 40.156 -1.610 19.393 1.00 63.23 H new ATOM 0 HG21 THR A 79 39.862 -4.810 20.288 1.00 73.04 H new ATOM 0 HG22 THR A 79 39.993 -5.347 18.596 1.00 73.04 H new ATOM 0 HG23 THR A 79 41.209 -4.239 19.274 1.00 73.04 H new ATOM 1184 N LYS A 80 41.976 -2.957 16.571 1.00 61.45 N ATOM 1185 CA LYS A 80 43.378 -2.565 16.480 1.00 34.42 C ATOM 1186 C LYS A 80 43.638 -1.767 15.207 1.00 42.01 C ATOM 1187 O LYS A 80 44.453 -0.844 15.196 1.00 43.21 O ATOM 1188 CB LYS A 80 44.278 -3.803 16.512 1.00 14.21 C ATOM 1189 CG LYS A 80 44.038 -4.698 17.715 1.00 33.51 C ATOM 1190 CD LYS A 80 44.668 -4.124 18.973 1.00 55.32 C ATOM 1191 CE LYS A 80 46.180 -4.281 18.960 1.00 4.52 C ATOM 1192 NZ LYS A 80 46.641 -5.295 19.948 1.00 30.20 N ATOM 0 H LYS A 80 41.705 -3.703 15.931 1.00 61.45 H new ATOM 0 HA LYS A 80 43.609 -1.933 17.337 1.00 34.42 H new ATOM 0 HB2 LYS A 80 44.119 -4.381 15.602 1.00 14.21 H new ATOM 0 HB3 LYS A 80 45.320 -3.484 16.509 1.00 14.21 H new ATOM 0 HG2 LYS A 80 42.966 -4.823 17.868 1.00 33.51 H new ATOM 0 HG3 LYS A 80 44.450 -5.688 17.520 1.00 33.51 H new ATOM 0 HD2 LYS A 80 44.411 -3.068 19.061 1.00 55.32 H new ATOM 0 HD3 LYS A 80 44.257 -4.626 19.849 1.00 55.32 H new ATOM 0 HE2 LYS A 80 46.506 -4.572 17.962 1.00 4.52 H new ATOM 0 HE3 LYS A 80 46.647 -3.321 19.180 1.00 4.52 H new ATOM 0 HZ1 LYS A 80 47.080 -4.815 20.759 1.00 30.20 H new ATOM 0 HZ2 LYS A 80 45.828 -5.855 20.276 1.00 30.20 H new ATOM 0 HZ3 LYS A 80 47.337 -5.924 19.500 1.00 30.20 H new ATOM 1206 N THR A 81 42.940 -2.127 14.134 1.00 12.04 N ATOM 1207 CA THR A 81 43.096 -1.444 12.856 1.00 35.14 C ATOM 1208 C THR A 81 42.755 0.037 12.979 1.00 23.31 C ATOM 1209 O THR A 81 43.584 0.912 12.728 1.00 22.31 O ATOM 1210 CB THR A 81 42.205 -2.076 11.770 1.00 54.51 C ATOM 1211 OG1 THR A 81 41.373 -3.088 12.346 1.00 35.42 O ATOM 1212 CG2 THR A 81 43.051 -2.679 10.659 1.00 1.12 C ATOM 0 H THR A 81 42.261 -2.888 14.125 1.00 12.04 H new ATOM 0 HA THR A 81 44.141 -1.550 12.566 1.00 35.14 H new ATOM 0 HB THR A 81 41.579 -1.292 11.344 1.00 54.51 H new ATOM 0 HG1 THR A 81 41.859 -3.939 12.367 1.00 35.42 H new ATOM 0 HG21 THR A 81 42.400 -3.119 9.904 1.00 1.12 H new ATOM 0 HG22 THR A 81 43.661 -1.900 10.202 1.00 1.12 H new ATOM 0 HG23 THR A 81 43.699 -3.451 11.074 1.00 1.12 H new ATOM 1220 N PRO A 82 41.507 0.327 13.375 1.00 1.11 N ATOM 1221 CA PRO A 82 41.029 1.703 13.541 1.00 22.15 C ATOM 1222 C PRO A 82 41.675 2.401 14.734 1.00 73.51 C ATOM 1223 O PRO A 82 41.768 3.627 14.770 1.00 23.13 O ATOM 1224 CB PRO A 82 39.526 1.531 13.772 1.00 32.21 C ATOM 1225 CG PRO A 82 39.383 0.158 14.332 1.00 23.33 C ATOM 1226 CD PRO A 82 40.466 -0.665 13.691 1.00 23.45 C ATOM 0 HA PRO A 82 41.273 2.326 12.681 1.00 22.15 H new ATOM 0 HB2 PRO A 82 39.143 2.282 14.463 1.00 32.21 H new ATOM 0 HB3 PRO A 82 38.968 1.639 12.842 1.00 32.21 H new ATOM 0 HG2 PRO A 82 39.489 0.166 15.417 1.00 23.33 H new ATOM 0 HG3 PRO A 82 38.398 -0.253 14.111 1.00 23.33 H new ATOM 0 HD2 PRO A 82 40.837 -1.436 14.366 1.00 23.45 H new ATOM 0 HD3 PRO A 82 40.108 -1.172 12.795 1.00 23.45 H new ATOM 1234 N GLU A 83 42.118 1.611 15.707 1.00 64.32 N ATOM 1235 CA GLU A 83 42.755 2.155 16.901 1.00 71.52 C ATOM 1236 C GLU A 83 44.105 2.780 16.561 1.00 73.21 C ATOM 1237 O GLU A 83 44.375 3.927 16.915 1.00 61.11 O ATOM 1238 CB GLU A 83 42.939 1.058 17.952 1.00 14.01 C ATOM 1239 CG GLU A 83 44.209 1.208 18.772 1.00 30.22 C ATOM 1240 CD GLU A 83 44.270 2.527 19.517 1.00 3.20 C ATOM 1241 OE1 GLU A 83 43.242 3.233 19.560 1.00 55.52 O ATOM 1242 OE2 GLU A 83 45.348 2.853 20.058 1.00 61.05 O ATOM 0 H GLU A 83 42.048 0.594 15.692 1.00 64.32 H new ATOM 0 HA GLU A 83 42.106 2.932 17.306 1.00 71.52 H new ATOM 0 HB2 GLU A 83 42.080 1.062 18.623 1.00 14.01 H new ATOM 0 HB3 GLU A 83 42.950 0.088 17.455 1.00 14.01 H new ATOM 0 HG2 GLU A 83 44.274 0.388 19.487 1.00 30.22 H new ATOM 0 HG3 GLU A 83 45.074 1.127 18.114 1.00 30.22 H new ATOM 1249 N GLU A 84 44.948 2.016 15.873 1.00 53.23 N ATOM 1250 CA GLU A 84 46.270 2.495 15.487 1.00 73.05 C ATOM 1251 C GLU A 84 46.178 3.448 14.298 1.00 34.03 C ATOM 1252 O GLU A 84 47.051 4.293 14.096 1.00 15.35 O ATOM 1253 CB GLU A 84 47.182 1.317 15.140 1.00 61.44 C ATOM 1254 CG GLU A 84 46.942 0.750 13.750 1.00 24.34 C ATOM 1255 CD GLU A 84 47.875 1.340 12.711 1.00 63.43 C ATOM 1256 OE1 GLU A 84 49.027 0.867 12.612 1.00 3.31 O ATOM 1257 OE2 GLU A 84 47.454 2.273 11.996 1.00 21.12 O ATOM 0 H GLU A 84 44.739 1.064 15.572 1.00 53.23 H new ATOM 0 HA GLU A 84 46.693 3.037 16.333 1.00 73.05 H new ATOM 0 HB2 GLU A 84 48.221 1.637 15.218 1.00 61.44 H new ATOM 0 HB3 GLU A 84 47.036 0.526 15.876 1.00 61.44 H new ATOM 0 HG2 GLU A 84 47.071 -0.332 13.776 1.00 24.34 H new ATOM 0 HG3 GLU A 84 45.910 0.941 13.457 1.00 24.34 H new ATOM 1264 N LEU A 85 45.115 3.305 13.514 1.00 13.22 N ATOM 1265 CA LEU A 85 44.907 4.152 12.345 1.00 43.41 C ATOM 1266 C LEU A 85 44.445 5.546 12.757 1.00 10.24 C ATOM 1267 O LEU A 85 44.780 6.539 12.112 1.00 23.25 O ATOM 1268 CB LEU A 85 43.879 3.518 11.407 1.00 15.22 C ATOM 1269 CG LEU A 85 43.640 4.244 10.083 1.00 43.04 C ATOM 1270 CD1 LEU A 85 44.932 4.338 9.286 1.00 42.23 C ATOM 1271 CD2 LEU A 85 42.563 3.537 9.273 1.00 13.23 C ATOM 0 H LEU A 85 44.384 2.610 13.667 1.00 13.22 H new ATOM 0 HA LEU A 85 45.858 4.245 11.821 1.00 43.41 H new ATOM 0 HB2 LEU A 85 44.198 2.499 11.187 1.00 15.22 H new ATOM 0 HB3 LEU A 85 42.929 3.448 11.936 1.00 15.22 H new ATOM 0 HG LEU A 85 43.297 5.255 10.302 1.00 43.04 H new ATOM 0 HD11 LEU A 85 44.743 4.858 8.347 1.00 42.23 H new ATOM 0 HD12 LEU A 85 45.676 4.889 9.862 1.00 42.23 H new ATOM 0 HD13 LEU A 85 45.305 3.335 9.077 1.00 42.23 H new ATOM 0 HD21 LEU A 85 42.407 4.068 8.334 1.00 13.23 H new ATOM 0 HD22 LEU A 85 42.878 2.515 9.064 1.00 13.23 H new ATOM 0 HD23 LEU A 85 41.632 3.521 9.840 1.00 13.23 H new ATOM 1283 N GLY A 86 43.674 5.613 13.839 1.00 71.34 N ATOM 1284 CA GLY A 86 43.180 6.890 14.320 1.00 30.41 C ATOM 1285 C GLY A 86 44.121 7.537 15.317 1.00 71.32 C ATOM 1286 O GLY A 86 44.368 8.741 15.256 1.00 71.33 O ATOM 0 H GLY A 86 43.383 4.806 14.390 1.00 71.34 H new ATOM 0 HA2 GLY A 86 43.034 7.562 13.474 1.00 30.41 H new ATOM 0 HA3 GLY A 86 42.205 6.747 14.785 1.00 30.41 H new ATOM 1290 N MET A 87 44.646 6.736 16.238 1.00 1.04 N ATOM 1291 CA MET A 87 45.565 7.239 17.253 1.00 30.11 C ATOM 1292 C MET A 87 44.873 8.253 18.158 1.00 1.14 C ATOM 1293 O MET A 87 45.470 9.254 18.554 1.00 62.34 O ATOM 1294 CB MET A 87 46.788 7.878 16.592 1.00 12.25 C ATOM 1295 CG MET A 87 47.427 7.006 15.524 1.00 0.01 C ATOM 1296 SD MET A 87 48.844 7.797 14.738 1.00 72.11 S ATOM 1297 CE MET A 87 49.836 6.368 14.312 1.00 21.11 C ATOM 0 H MET A 87 44.451 5.737 16.303 1.00 1.04 H new ATOM 0 HA MET A 87 45.890 6.396 17.863 1.00 30.11 H new ATOM 0 HB2 MET A 87 46.495 8.828 16.146 1.00 12.25 H new ATOM 0 HB3 MET A 87 47.530 8.101 17.359 1.00 12.25 H new ATOM 0 HG2 MET A 87 47.744 6.064 15.971 1.00 0.01 H new ATOM 0 HG3 MET A 87 46.683 6.764 14.765 1.00 0.01 H new ATOM 0 HE1 MET A 87 50.750 6.694 13.816 1.00 21.11 H new ATOM 0 HE2 MET A 87 50.091 5.819 15.218 1.00 21.11 H new ATOM 0 HE3 MET A 87 49.271 5.720 13.642 1.00 21.11 H new ATOM 1307 N GLU A 88 43.611 7.987 18.482 1.00 44.10 N ATOM 1308 CA GLU A 88 42.839 8.878 19.340 1.00 44.42 C ATOM 1309 C GLU A 88 41.756 8.109 20.089 1.00 33.53 C ATOM 1310 O GLU A 88 41.585 6.905 19.892 1.00 3.24 O ATOM 1311 CB GLU A 88 42.205 9.997 18.511 1.00 52.11 C ATOM 1312 CG GLU A 88 41.382 9.493 17.337 1.00 14.24 C ATOM 1313 CD GLU A 88 41.083 10.581 16.324 1.00 12.24 C ATOM 1314 OE1 GLU A 88 40.916 11.748 16.737 1.00 32.35 O ATOM 1315 OE2 GLU A 88 41.016 10.265 15.118 1.00 44.52 O ATOM 0 H GLU A 88 43.102 7.162 18.163 1.00 44.10 H new ATOM 0 HA GLU A 88 43.519 9.317 20.070 1.00 44.42 H new ATOM 0 HB2 GLU A 88 41.568 10.601 19.158 1.00 52.11 H new ATOM 0 HB3 GLU A 88 42.992 10.652 18.138 1.00 52.11 H new ATOM 0 HG2 GLU A 88 41.917 8.681 16.845 1.00 14.24 H new ATOM 0 HG3 GLU A 88 40.444 9.079 17.707 1.00 14.24 H new ATOM 1322 N ASP A 89 41.027 8.811 20.949 1.00 12.13 N ATOM 1323 CA ASP A 89 39.959 8.195 21.729 1.00 41.14 C ATOM 1324 C ASP A 89 38.594 8.517 21.129 1.00 33.21 C ATOM 1325 O ASP A 89 37.567 8.394 21.797 1.00 11.12 O ATOM 1326 CB ASP A 89 40.018 8.673 23.180 1.00 32.45 C ATOM 1327 CG ASP A 89 40.304 10.157 23.291 1.00 52.45 C ATOM 1328 OD1 ASP A 89 39.643 10.944 22.580 1.00 71.43 O ATOM 1329 OD2 ASP A 89 41.188 10.533 24.088 1.00 11.30 O ATOM 0 H ASP A 89 41.156 9.808 21.124 1.00 12.13 H new ATOM 0 HA ASP A 89 40.101 7.115 21.705 1.00 41.14 H new ATOM 0 HB2 ASP A 89 39.070 8.451 23.671 1.00 32.45 H new ATOM 0 HB3 ASP A 89 40.790 8.117 23.711 1.00 32.45 H new ATOM 1334 N ASP A 90 38.590 8.930 19.867 1.00 62.35 N ATOM 1335 CA ASP A 90 37.351 9.269 19.177 1.00 41.24 C ATOM 1336 C ASP A 90 37.163 8.399 17.938 1.00 51.12 C ATOM 1337 O ASP A 90 36.777 8.889 16.876 1.00 62.40 O ATOM 1338 CB ASP A 90 37.351 10.747 18.782 1.00 35.10 C ATOM 1339 CG ASP A 90 37.139 11.664 19.971 1.00 61.50 C ATOM 1340 OD1 ASP A 90 35.979 11.806 20.411 1.00 43.44 O ATOM 1341 OD2 ASP A 90 38.134 12.239 20.461 1.00 35.34 O ATOM 0 H ASP A 90 39.431 9.038 19.300 1.00 62.35 H new ATOM 0 HA ASP A 90 36.521 9.082 19.859 1.00 41.24 H new ATOM 0 HB2 ASP A 90 38.299 10.992 18.302 1.00 35.10 H new ATOM 0 HB3 ASP A 90 36.566 10.923 18.046 1.00 35.10 H new ATOM 1346 N ASP A 91 37.439 7.108 18.081 1.00 73.41 N ATOM 1347 CA ASP A 91 37.300 6.169 16.974 1.00 71.24 C ATOM 1348 C ASP A 91 35.829 5.909 16.663 1.00 62.13 C ATOM 1349 O ASP A 91 35.087 5.398 17.502 1.00 42.03 O ATOM 1350 CB ASP A 91 38.005 4.852 17.302 1.00 30.11 C ATOM 1351 CG ASP A 91 37.555 3.715 16.406 1.00 41.03 C ATOM 1352 OD1 ASP A 91 37.438 3.936 15.182 1.00 34.53 O ATOM 1353 OD2 ASP A 91 37.320 2.605 16.928 1.00 74.04 O ATOM 0 H ASP A 91 37.760 6.687 18.953 1.00 73.41 H new ATOM 0 HA ASP A 91 37.766 6.612 16.094 1.00 71.24 H new ATOM 0 HB2 ASP A 91 39.082 4.985 17.202 1.00 30.11 H new ATOM 0 HB3 ASP A 91 37.812 4.589 18.342 1.00 30.11 H new ATOM 1358 N VAL A 92 35.414 6.265 15.451 1.00 12.12 N ATOM 1359 CA VAL A 92 34.032 6.071 15.029 1.00 32.41 C ATOM 1360 C VAL A 92 33.923 4.944 14.008 1.00 54.14 C ATOM 1361 O VAL A 92 34.875 4.656 13.282 1.00 21.14 O ATOM 1362 CB VAL A 92 33.444 7.358 14.422 1.00 51.22 C ATOM 1363 CG1 VAL A 92 33.777 8.560 15.293 1.00 42.04 C ATOM 1364 CG2 VAL A 92 33.955 7.559 13.003 1.00 0.32 C ATOM 0 H VAL A 92 36.015 6.689 14.745 1.00 12.12 H new ATOM 0 HA VAL A 92 33.463 5.807 15.920 1.00 32.41 H new ATOM 0 HB VAL A 92 32.359 7.258 14.382 1.00 51.22 H new ATOM 0 HG11 VAL A 92 33.353 9.460 14.848 1.00 42.04 H new ATOM 0 HG12 VAL A 92 33.358 8.415 16.289 1.00 42.04 H new ATOM 0 HG13 VAL A 92 34.859 8.667 15.367 1.00 42.04 H new ATOM 0 HG21 VAL A 92 33.529 8.473 12.589 1.00 0.32 H new ATOM 0 HG22 VAL A 92 35.042 7.638 13.016 1.00 0.32 H new ATOM 0 HG23 VAL A 92 33.660 6.710 12.386 1.00 0.32 H new ATOM 1374 N ILE A 93 32.756 4.311 13.956 1.00 74.01 N ATOM 1375 CA ILE A 93 32.522 3.217 13.022 1.00 75.22 C ATOM 1376 C ILE A 93 31.054 3.148 12.613 1.00 61.33 C ATOM 1377 O ILE A 93 30.164 3.092 13.462 1.00 63.43 O ATOM 1378 CB ILE A 93 32.939 1.863 13.625 1.00 71.40 C ATOM 1379 CG1 ILE A 93 32.894 0.768 12.557 1.00 43.24 C ATOM 1380 CG2 ILE A 93 32.037 1.504 14.796 1.00 32.13 C ATOM 1381 CD1 ILE A 93 34.250 0.438 11.973 1.00 42.23 C ATOM 0 H ILE A 93 31.958 4.537 14.550 1.00 74.01 H new ATOM 0 HA ILE A 93 33.133 3.417 12.142 1.00 75.22 H new ATOM 0 HB ILE A 93 33.962 1.946 13.991 1.00 71.40 H new ATOM 0 HG12 ILE A 93 32.465 -0.135 12.992 1.00 43.24 H new ATOM 0 HG13 ILE A 93 32.228 1.082 11.753 1.00 43.24 H new ATOM 0 HG21 ILE A 93 32.345 0.544 15.211 1.00 32.13 H new ATOM 0 HG22 ILE A 93 32.114 2.273 15.564 1.00 32.13 H new ATOM 0 HG23 ILE A 93 31.005 1.437 14.453 1.00 32.13 H new ATOM 0 HD11 ILE A 93 34.142 -0.346 11.223 1.00 42.23 H new ATOM 0 HD12 ILE A 93 34.673 1.329 11.509 1.00 42.23 H new ATOM 0 HD13 ILE A 93 34.913 0.093 12.766 1.00 42.23 H new ATOM 1393 N ASP A 94 30.809 3.150 11.307 1.00 0.41 N ATOM 1394 CA ASP A 94 29.449 3.085 10.784 1.00 2.13 C ATOM 1395 C ASP A 94 29.145 1.695 10.234 1.00 12.12 C ATOM 1396 O ASP A 94 29.851 1.195 9.360 1.00 61.44 O ATOM 1397 CB ASP A 94 29.250 4.135 9.690 1.00 13.12 C ATOM 1398 CG ASP A 94 27.862 4.746 9.720 1.00 24.20 C ATOM 1399 OD1 ASP A 94 26.905 4.026 10.073 1.00 22.11 O ATOM 1400 OD2 ASP A 94 27.734 5.943 9.389 1.00 13.34 O ATOM 0 H ASP A 94 31.534 3.196 10.591 1.00 0.41 H new ATOM 0 HA ASP A 94 28.760 3.291 11.603 1.00 2.13 H new ATOM 0 HB2 ASP A 94 29.994 4.923 9.807 1.00 13.12 H new ATOM 0 HB3 ASP A 94 29.422 3.677 8.716 1.00 13.12 H new ATOM 1405 N ALA A 95 28.089 1.077 10.754 1.00 64.21 N ATOM 1406 CA ALA A 95 27.691 -0.255 10.314 1.00 0.43 C ATOM 1407 C ALA A 95 26.633 -0.177 9.219 1.00 62.44 C ATOM 1408 O ALA A 95 25.483 0.177 9.477 1.00 45.20 O ATOM 1409 CB ALA A 95 27.175 -1.067 11.493 1.00 72.04 C ATOM 0 H ALA A 95 27.494 1.477 11.480 1.00 64.21 H new ATOM 0 HA ALA A 95 28.568 -0.752 9.900 1.00 0.43 H new ATOM 0 HB1 ALA A 95 26.881 -2.059 11.151 1.00 72.04 H new ATOM 0 HB2 ALA A 95 27.961 -1.160 12.243 1.00 72.04 H new ATOM 0 HB3 ALA A 95 26.313 -0.564 11.931 1.00 72.04 H new ATOM 1415 N MET A 96 27.030 -0.511 7.995 1.00 41.21 N ATOM 1416 CA MET A 96 26.115 -0.479 6.860 1.00 72.40 C ATOM 1417 C MET A 96 25.583 -1.875 6.552 1.00 71.34 C ATOM 1418 O MET A 96 26.248 -2.877 6.817 1.00 1.41 O ATOM 1419 CB MET A 96 26.816 0.096 5.628 1.00 71.43 C ATOM 1420 CG MET A 96 27.127 1.579 5.743 1.00 43.04 C ATOM 1421 SD MET A 96 27.233 2.393 4.137 1.00 20.11 S ATOM 1422 CE MET A 96 27.128 4.114 4.622 1.00 33.23 C ATOM 0 H MET A 96 27.979 -0.807 7.764 1.00 41.21 H new ATOM 0 HA MET A 96 25.273 0.162 7.122 1.00 72.40 H new ATOM 0 HB2 MET A 96 27.745 -0.450 5.461 1.00 71.43 H new ATOM 0 HB3 MET A 96 26.188 -0.068 4.753 1.00 71.43 H new ATOM 0 HG2 MET A 96 26.355 2.063 6.341 1.00 43.04 H new ATOM 0 HG3 MET A 96 28.070 1.708 6.275 1.00 43.04 H new ATOM 0 HE1 MET A 96 27.180 4.746 3.735 1.00 33.23 H new ATOM 0 HE2 MET A 96 26.184 4.290 5.138 1.00 33.23 H new ATOM 0 HE3 MET A 96 27.956 4.355 5.288 1.00 33.23 H new ATOM 1432 N VAL A 97 24.380 -1.935 5.990 1.00 55.30 N ATOM 1433 CA VAL A 97 23.759 -3.208 5.645 1.00 71.11 C ATOM 1434 C VAL A 97 23.387 -3.255 4.167 1.00 34.43 C ATOM 1435 O VAL A 97 22.644 -2.406 3.677 1.00 15.23 O ATOM 1436 CB VAL A 97 22.497 -3.464 6.490 1.00 74.45 C ATOM 1437 CG1 VAL A 97 21.879 -4.808 6.133 1.00 52.34 C ATOM 1438 CG2 VAL A 97 22.826 -3.397 7.973 1.00 21.11 C ATOM 0 H VAL A 97 23.816 -1.116 5.764 1.00 55.30 H new ATOM 0 HA VAL A 97 24.492 -3.986 5.857 1.00 71.11 H new ATOM 0 HB VAL A 97 21.768 -2.685 6.268 1.00 74.45 H new ATOM 0 HG11 VAL A 97 20.989 -4.972 6.740 1.00 52.34 H new ATOM 0 HG12 VAL A 97 21.605 -4.814 5.078 1.00 52.34 H new ATOM 0 HG13 VAL A 97 22.600 -5.603 6.325 1.00 52.34 H new ATOM 0 HG21 VAL A 97 21.923 -3.580 8.555 1.00 21.11 H new ATOM 0 HG22 VAL A 97 23.573 -4.153 8.215 1.00 21.11 H new ATOM 0 HG23 VAL A 97 23.219 -2.409 8.214 1.00 21.11 H new