USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 ASN : amide:sc= -2.96 K(o=-4.5,f=-5.9!) USER MOD Set 1.2: A 56 TYR OH : rot 50:sc= -1.56 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0695 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 90:sc= 1.24 USER MOD Single : A 57 CYS SG : rot 93:sc= -1.1 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.863 K(o=-0.86,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.687 USER MOD Single : A 79 THR OG1 : rot -19:sc= -0.902 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -68:sc= -1.43 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 168:sc=-0.00374 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 48.063 0.025 25.661 1.00 42.24 N ATOM 299 CA ALA A 25 47.484 1.361 25.736 1.00 21.33 C ATOM 300 C ALA A 25 45.999 1.297 26.076 1.00 30.35 C ATOM 301 O ALA A 25 45.370 0.244 25.963 1.00 63.54 O ATOM 302 CB ALA A 25 47.696 2.103 24.425 1.00 33.11 C ATOM 0 HA ALA A 25 47.990 1.905 26.534 1.00 21.33 H new ATOM 0 HB1 ALA A 25 47.259 3.099 24.496 1.00 33.11 H new ATOM 0 HB2 ALA A 25 48.764 2.189 24.224 1.00 33.11 H new ATOM 0 HB3 ALA A 25 47.218 1.553 23.614 1.00 33.11 H new ATOM 308 N LEU A 26 45.443 2.428 26.495 1.00 44.40 N ATOM 309 CA LEU A 26 44.031 2.501 26.853 1.00 60.12 C ATOM 310 C LEU A 26 43.317 3.574 26.038 1.00 42.44 C ATOM 311 O LEU A 26 43.767 4.718 25.969 1.00 40.32 O ATOM 312 CB LEU A 26 43.877 2.792 28.347 1.00 43.24 C ATOM 313 CG LEU A 26 42.452 3.050 28.837 1.00 22.20 C ATOM 314 CD1 LEU A 26 42.142 2.189 30.051 1.00 34.53 C ATOM 315 CD2 LEU A 26 42.258 4.524 29.163 1.00 65.33 C ATOM 0 H LEU A 26 45.949 3.308 26.595 1.00 44.40 H new ATOM 0 HA LEU A 26 43.575 1.537 26.628 1.00 60.12 H new ATOM 0 HB2 LEU A 26 44.285 1.949 28.905 1.00 43.24 H new ATOM 0 HB3 LEU A 26 44.487 3.661 28.592 1.00 43.24 H new ATOM 0 HG LEU A 26 41.760 2.781 28.039 1.00 22.20 H new ATOM 0 HD11 LEU A 26 41.124 2.386 30.386 1.00 34.53 H new ATOM 0 HD12 LEU A 26 42.239 1.136 29.785 1.00 34.53 H new ATOM 0 HD13 LEU A 26 42.840 2.427 30.853 1.00 34.53 H new ATOM 0 HD21 LEU A 26 41.238 4.689 29.510 1.00 65.33 H new ATOM 0 HD22 LEU A 26 42.959 4.819 29.944 1.00 65.33 H new ATOM 0 HD23 LEU A 26 42.438 5.121 28.269 1.00 65.33 H new ATOM 327 N VAL A 27 42.200 3.198 25.423 1.00 43.43 N ATOM 328 CA VAL A 27 41.422 4.130 24.615 1.00 73.42 C ATOM 329 C VAL A 27 39.931 3.991 24.901 1.00 54.51 C ATOM 330 O VAL A 27 39.401 2.883 24.967 1.00 70.41 O ATOM 331 CB VAL A 27 41.667 3.909 23.110 1.00 22.44 C ATOM 332 CG1 VAL A 27 40.416 4.238 22.311 1.00 73.30 C ATOM 333 CG2 VAL A 27 42.848 4.742 22.636 1.00 52.24 C ATOM 0 H VAL A 27 41.814 2.255 25.469 1.00 43.43 H new ATOM 0 HA VAL A 27 41.750 5.134 24.885 1.00 73.42 H new ATOM 0 HB VAL A 27 41.905 2.858 22.948 1.00 22.44 H new ATOM 0 HG11 VAL A 27 40.609 4.076 21.250 1.00 73.30 H new ATOM 0 HG12 VAL A 27 39.598 3.594 22.634 1.00 73.30 H new ATOM 0 HG13 VAL A 27 40.143 5.281 22.475 1.00 73.30 H new ATOM 0 HG21 VAL A 27 43.007 4.574 21.571 1.00 52.24 H new ATOM 0 HG22 VAL A 27 42.642 5.798 22.810 1.00 52.24 H new ATOM 0 HG23 VAL A 27 43.743 4.452 23.187 1.00 52.24 H new ATOM 343 N ALA A 28 39.259 5.126 25.070 1.00 74.54 N ATOM 344 CA ALA A 28 37.827 5.132 25.346 1.00 25.51 C ATOM 345 C ALA A 28 37.019 5.220 24.056 1.00 64.31 C ATOM 346 O ALA A 28 37.340 6.004 23.163 1.00 42.11 O ATOM 347 CB ALA A 28 37.474 6.286 26.273 1.00 73.55 C ATOM 0 H ALA A 28 39.683 6.052 25.021 1.00 74.54 H new ATOM 0 HA ALA A 28 37.573 4.193 25.839 1.00 25.51 H new ATOM 0 HB1 ALA A 28 36.402 6.279 26.471 1.00 73.55 H new ATOM 0 HB2 ALA A 28 38.017 6.178 27.212 1.00 73.55 H new ATOM 0 HB3 ALA A 28 37.750 7.229 25.801 1.00 73.55 H new ATOM 353 N VAL A 29 35.970 4.409 23.964 1.00 53.31 N ATOM 354 CA VAL A 29 35.115 4.396 22.783 1.00 42.14 C ATOM 355 C VAL A 29 33.690 4.809 23.131 1.00 74.30 C ATOM 356 O VAL A 29 33.181 4.481 24.203 1.00 34.20 O ATOM 357 CB VAL A 29 35.089 3.004 22.124 1.00 32.25 C ATOM 358 CG1 VAL A 29 34.157 2.999 20.922 1.00 43.01 C ATOM 359 CG2 VAL A 29 36.493 2.578 21.723 1.00 30.23 C ATOM 0 H VAL A 29 35.692 3.752 24.693 1.00 53.31 H new ATOM 0 HA VAL A 29 35.536 5.115 22.080 1.00 42.14 H new ATOM 0 HB VAL A 29 34.710 2.285 22.850 1.00 32.25 H new ATOM 0 HG11 VAL A 29 34.152 2.007 20.470 1.00 43.01 H new ATOM 0 HG12 VAL A 29 33.148 3.257 21.243 1.00 43.01 H new ATOM 0 HG13 VAL A 29 34.503 3.730 20.191 1.00 43.01 H new ATOM 0 HG21 VAL A 29 36.456 1.592 21.259 1.00 30.23 H new ATOM 0 HG22 VAL A 29 36.903 3.297 21.014 1.00 30.23 H new ATOM 0 HG23 VAL A 29 37.128 2.539 22.608 1.00 30.23 H new ATOM 369 N LYS A 30 33.048 5.530 22.218 1.00 45.23 N ATOM 370 CA LYS A 30 31.680 5.987 22.426 1.00 54.31 C ATOM 371 C LYS A 30 30.810 5.673 21.213 1.00 65.44 C ATOM 372 O LYS A 30 30.917 6.325 20.174 1.00 62.11 O ATOM 373 CB LYS A 30 31.659 7.492 22.705 1.00 65.04 C ATOM 374 CG LYS A 30 30.263 8.056 22.899 1.00 74.12 C ATOM 375 CD LYS A 30 30.273 9.268 23.815 1.00 41.33 C ATOM 376 CE LYS A 30 30.357 10.564 23.023 1.00 52.21 C ATOM 377 NZ LYS A 30 31.686 11.219 23.170 1.00 11.43 N ATOM 0 H LYS A 30 33.454 5.811 21.326 1.00 45.23 H new ATOM 0 HA LYS A 30 31.275 5.458 23.289 1.00 54.31 H new ATOM 0 HB2 LYS A 30 32.251 7.696 23.597 1.00 65.04 H new ATOM 0 HB3 LYS A 30 32.140 8.013 21.877 1.00 65.04 H new ATOM 0 HG2 LYS A 30 29.844 8.333 21.932 1.00 74.12 H new ATOM 0 HG3 LYS A 30 29.614 7.287 23.319 1.00 74.12 H new ATOM 0 HD2 LYS A 30 29.370 9.271 24.426 1.00 41.33 H new ATOM 0 HD3 LYS A 30 31.120 9.202 24.498 1.00 41.33 H new ATOM 0 HE2 LYS A 30 30.168 10.359 21.969 1.00 52.21 H new ATOM 0 HE3 LYS A 30 29.577 11.246 23.360 1.00 52.21 H new ATOM 0 HZ1 LYS A 30 31.703 12.099 22.615 1.00 11.43 H new ATOM 0 HZ2 LYS A 30 31.856 11.438 24.172 1.00 11.43 H new ATOM 0 HZ3 LYS A 30 32.429 10.578 22.825 1.00 11.43 H new ATOM 391 N VAL A 31 29.949 4.670 21.351 1.00 31.14 N ATOM 392 CA VAL A 31 29.059 4.271 20.267 1.00 23.35 C ATOM 393 C VAL A 31 27.718 4.989 20.364 1.00 3.32 C ATOM 394 O VAL A 31 27.001 4.858 21.356 1.00 22.23 O ATOM 395 CB VAL A 31 28.816 2.750 20.273 1.00 72.25 C ATOM 396 CG1 VAL A 31 27.877 2.355 19.142 1.00 2.44 C ATOM 397 CG2 VAL A 31 30.135 1.999 20.168 1.00 53.12 C ATOM 0 H VAL A 31 29.849 4.119 22.203 1.00 31.14 H new ATOM 0 HA VAL A 31 29.550 4.550 19.335 1.00 23.35 H new ATOM 0 HB VAL A 31 28.344 2.479 21.217 1.00 72.25 H new ATOM 0 HG11 VAL A 31 27.717 1.277 19.162 1.00 2.44 H new ATOM 0 HG12 VAL A 31 26.922 2.866 19.266 1.00 2.44 H new ATOM 0 HG13 VAL A 31 28.319 2.639 18.187 1.00 2.44 H new ATOM 0 HG21 VAL A 31 29.944 0.926 20.174 1.00 53.12 H new ATOM 0 HG22 VAL A 31 30.637 2.273 19.240 1.00 53.12 H new ATOM 0 HG23 VAL A 31 30.770 2.259 21.015 1.00 53.12 H new ATOM 407 N VAL A 32 27.385 5.750 19.326 1.00 15.05 N ATOM 408 CA VAL A 32 26.128 6.489 19.293 1.00 2.20 C ATOM 409 C VAL A 32 25.248 6.025 18.138 1.00 42.22 C ATOM 410 O VAL A 32 25.739 5.475 17.153 1.00 53.33 O ATOM 411 CB VAL A 32 26.372 8.004 19.162 1.00 13.40 C ATOM 412 CG1 VAL A 32 26.869 8.581 20.479 1.00 41.23 C ATOM 413 CG2 VAL A 32 27.357 8.290 18.039 1.00 4.01 C ATOM 0 H VAL A 32 27.968 5.871 18.497 1.00 15.05 H new ATOM 0 HA VAL A 32 25.619 6.291 20.236 1.00 2.20 H new ATOM 0 HB VAL A 32 25.426 8.487 18.916 1.00 13.40 H new ATOM 0 HG11 VAL A 32 27.036 9.652 20.367 1.00 41.23 H new ATOM 0 HG12 VAL A 32 26.124 8.409 21.256 1.00 41.23 H new ATOM 0 HG13 VAL A 32 27.804 8.096 20.759 1.00 41.23 H new ATOM 0 HG21 VAL A 32 27.517 9.365 17.961 1.00 4.01 H new ATOM 0 HG22 VAL A 32 28.305 7.796 18.252 1.00 4.01 H new ATOM 0 HG23 VAL A 32 26.955 7.914 17.098 1.00 4.01 H new ATOM 423 N ASN A 33 23.945 6.251 18.266 1.00 12.41 N ATOM 424 CA ASN A 33 22.995 5.856 17.232 1.00 1.42 C ATOM 425 C ASN A 33 21.976 6.963 16.979 1.00 75.33 C ATOM 426 O ASN A 33 21.683 7.766 17.864 1.00 32.20 O ATOM 427 CB ASN A 33 22.276 4.568 17.636 1.00 21.34 C ATOM 428 CG ASN A 33 23.241 3.435 17.928 1.00 32.50 C ATOM 429 OD1 ASN A 33 24.111 3.552 18.790 1.00 4.15 O ATOM 430 ND2 ASN A 33 23.090 2.329 17.208 1.00 52.12 N ATOM 0 H ASN A 33 23.522 6.706 19.075 1.00 12.41 H new ATOM 0 HA ASN A 33 23.550 5.680 16.311 1.00 1.42 H new ATOM 0 HB2 ASN A 33 21.665 4.758 18.518 1.00 21.34 H new ATOM 0 HB3 ASN A 33 21.598 4.268 16.837 1.00 21.34 H new ATOM 0 HD21 ASN A 33 23.709 1.533 17.360 1.00 52.12 H new ATOM 0 HD22 ASN A 33 22.355 2.276 16.503 1.00 52.12 H new ATOM 437 N ALA A 34 21.438 6.997 15.764 1.00 51.32 N ATOM 438 CA ALA A 34 20.449 8.003 15.394 1.00 23.33 C ATOM 439 C ALA A 34 19.168 7.836 16.204 1.00 73.15 C ATOM 440 O ALA A 34 18.397 8.782 16.366 1.00 40.23 O ATOM 441 CB ALA A 34 20.149 7.925 13.905 1.00 41.23 C ATOM 0 H ALA A 34 21.670 6.340 15.019 1.00 51.32 H new ATOM 0 HA ALA A 34 20.864 8.986 15.618 1.00 23.33 H new ATOM 0 HB1 ALA A 34 19.409 8.681 13.643 1.00 41.23 H new ATOM 0 HB2 ALA A 34 21.064 8.101 13.340 1.00 41.23 H new ATOM 0 HB3 ALA A 34 19.758 6.936 13.664 1.00 41.23 H new ATOM 447 N ASP A 35 18.946 6.627 16.708 1.00 14.45 N ATOM 448 CA ASP A 35 17.757 6.337 17.502 1.00 72.34 C ATOM 449 C ASP A 35 17.886 6.917 18.907 1.00 73.24 C ATOM 450 O ASP A 35 16.887 7.196 19.568 1.00 34.31 O ATOM 451 CB ASP A 35 17.526 4.827 17.579 1.00 71.20 C ATOM 452 CG ASP A 35 16.154 4.424 17.074 1.00 2.24 C ATOM 453 OD1 ASP A 35 15.151 4.800 17.717 1.00 3.11 O ATOM 454 OD2 ASP A 35 16.083 3.734 16.036 1.00 3.13 O ATOM 0 H ASP A 35 19.573 5.832 16.581 1.00 14.45 H new ATOM 0 HA ASP A 35 16.901 6.804 17.014 1.00 72.34 H new ATOM 0 HB2 ASP A 35 18.290 4.315 16.994 1.00 71.20 H new ATOM 0 HB3 ASP A 35 17.641 4.497 18.611 1.00 71.20 H new ATOM 459 N GLY A 36 19.124 7.095 19.357 1.00 62.13 N ATOM 460 CA GLY A 36 19.361 7.639 20.681 1.00 50.51 C ATOM 461 C GLY A 36 20.265 6.757 21.518 1.00 65.44 C ATOM 462 O GLY A 36 21.019 7.247 22.358 1.00 53.52 O ATOM 0 H GLY A 36 19.967 6.872 18.828 1.00 62.13 H new ATOM 0 HA2 GLY A 36 19.809 8.629 20.589 1.00 50.51 H new ATOM 0 HA3 GLY A 36 18.408 7.767 21.194 1.00 50.51 H new ATOM 466 N ALA A 37 20.190 5.450 21.289 1.00 62.51 N ATOM 467 CA ALA A 37 21.009 4.496 22.028 1.00 52.41 C ATOM 468 C ALA A 37 22.482 4.889 21.986 1.00 14.20 C ATOM 469 O ALA A 37 23.072 5.005 20.912 1.00 15.44 O ATOM 470 CB ALA A 37 20.819 3.094 21.470 1.00 34.42 C ATOM 0 H ALA A 37 19.571 5.027 20.598 1.00 62.51 H new ATOM 0 HA ALA A 37 20.686 4.508 23.069 1.00 52.41 H new ATOM 0 HB1 ALA A 37 21.436 2.392 22.031 1.00 34.42 H new ATOM 0 HB2 ALA A 37 19.771 2.806 21.558 1.00 34.42 H new ATOM 0 HB3 ALA A 37 21.113 3.077 20.421 1.00 34.42 H new ATOM 476 N GLU A 38 23.069 5.093 23.161 1.00 13.12 N ATOM 477 CA GLU A 38 24.473 5.475 23.257 1.00 72.41 C ATOM 478 C GLU A 38 25.145 4.785 24.441 1.00 73.45 C ATOM 479 O GLU A 38 24.551 4.644 25.509 1.00 31.02 O ATOM 480 CB GLU A 38 24.603 6.993 23.396 1.00 24.23 C ATOM 481 CG GLU A 38 24.161 7.520 24.751 1.00 60.10 C ATOM 482 CD GLU A 38 23.258 8.733 24.638 1.00 3.15 C ATOM 483 OE1 GLU A 38 23.789 9.857 24.511 1.00 73.42 O ATOM 484 OE2 GLU A 38 22.022 8.559 24.678 1.00 5.53 O ATOM 0 H GLU A 38 22.594 5.000 24.059 1.00 13.12 H new ATOM 0 HA GLU A 38 24.973 5.157 22.342 1.00 72.41 H new ATOM 0 HB2 GLU A 38 25.641 7.277 23.226 1.00 24.23 H new ATOM 0 HB3 GLU A 38 24.010 7.473 22.618 1.00 24.23 H new ATOM 0 HG2 GLU A 38 23.637 6.731 25.291 1.00 60.10 H new ATOM 0 HG3 GLU A 38 25.040 7.780 25.340 1.00 60.10 H new ATOM 491 N MET A 39 26.387 4.356 24.241 1.00 74.42 N ATOM 492 CA MET A 39 27.140 3.681 25.291 1.00 31.34 C ATOM 493 C MET A 39 28.640 3.784 25.037 1.00 43.13 C ATOM 494 O MET A 39 29.116 3.485 23.941 1.00 21.02 O ATOM 495 CB MET A 39 26.726 2.211 25.381 1.00 21.50 C ATOM 496 CG MET A 39 26.893 1.451 24.075 1.00 42.53 C ATOM 497 SD MET A 39 25.846 -0.014 23.984 1.00 42.30 S ATOM 498 CE MET A 39 27.000 -1.286 24.491 1.00 62.31 C ATOM 0 H MET A 39 26.893 4.464 23.362 1.00 74.42 H new ATOM 0 HA MET A 39 26.915 4.173 26.237 1.00 31.34 H new ATOM 0 HB2 MET A 39 27.318 1.722 26.155 1.00 21.50 H new ATOM 0 HB3 MET A 39 25.683 2.154 25.694 1.00 21.50 H new ATOM 0 HG2 MET A 39 26.658 2.113 23.242 1.00 42.53 H new ATOM 0 HG3 MET A 39 27.936 1.155 23.962 1.00 42.53 H new ATOM 0 HE1 MET A 39 26.500 -2.254 24.485 1.00 62.31 H new ATOM 0 HE2 MET A 39 27.843 -1.309 23.800 1.00 62.31 H new ATOM 0 HE3 MET A 39 27.361 -1.070 25.497 1.00 62.31 H new ATOM 508 N PHE A 40 29.381 4.210 26.055 1.00 72.33 N ATOM 509 CA PHE A 40 30.827 4.354 25.940 1.00 25.32 C ATOM 510 C PHE A 40 31.538 3.631 27.081 1.00 70.12 C ATOM 511 O PHE A 40 30.987 3.474 28.170 1.00 34.04 O ATOM 512 CB PHE A 40 31.215 5.834 25.939 1.00 24.22 C ATOM 513 CG PHE A 40 30.921 6.531 27.236 1.00 4.54 C ATOM 514 CD1 PHE A 40 29.674 7.085 27.473 1.00 55.40 C ATOM 515 CD2 PHE A 40 31.893 6.633 28.219 1.00 35.04 C ATOM 516 CE1 PHE A 40 29.401 7.729 28.665 1.00 33.54 C ATOM 517 CE2 PHE A 40 31.625 7.275 29.414 1.00 24.41 C ATOM 518 CZ PHE A 40 30.377 7.822 29.638 1.00 44.23 C ATOM 0 H PHE A 40 29.003 4.461 26.969 1.00 72.33 H new ATOM 0 HA PHE A 40 31.138 3.903 24.998 1.00 25.32 H new ATOM 0 HB2 PHE A 40 32.279 5.922 25.721 1.00 24.22 H new ATOM 0 HB3 PHE A 40 30.682 6.341 25.134 1.00 24.22 H new ATOM 0 HD1 PHE A 40 28.906 7.013 26.717 1.00 55.40 H new ATOM 0 HD2 PHE A 40 32.871 6.206 28.050 1.00 35.04 H new ATOM 0 HE1 PHE A 40 28.425 8.159 28.836 1.00 33.54 H new ATOM 0 HE2 PHE A 40 32.391 7.349 30.172 1.00 24.41 H new ATOM 0 HZ PHE A 40 30.165 8.321 30.572 1.00 44.23 H new ATOM 528 N PHE A 41 32.765 3.192 26.822 1.00 43.04 N ATOM 529 CA PHE A 41 33.552 2.484 27.825 1.00 12.10 C ATOM 530 C PHE A 41 35.039 2.534 27.485 1.00 14.33 C ATOM 531 O PHE A 41 35.416 2.689 26.324 1.00 71.13 O ATOM 532 CB PHE A 41 33.090 1.029 27.932 1.00 4.22 C ATOM 533 CG PHE A 41 33.761 0.268 29.040 1.00 61.35 C ATOM 534 CD1 PHE A 41 33.693 0.718 30.348 1.00 0.11 C ATOM 535 CD2 PHE A 41 34.459 -0.899 28.772 1.00 2.20 C ATOM 536 CE1 PHE A 41 34.310 0.020 31.369 1.00 60.44 C ATOM 537 CE2 PHE A 41 35.078 -1.602 29.789 1.00 51.14 C ATOM 538 CZ PHE A 41 35.002 -1.142 31.089 1.00 62.42 C ATOM 0 H PHE A 41 33.236 3.314 25.926 1.00 43.04 H new ATOM 0 HA PHE A 41 33.400 2.978 28.785 1.00 12.10 H new ATOM 0 HB2 PHE A 41 32.012 1.009 28.089 1.00 4.22 H new ATOM 0 HB3 PHE A 41 33.284 0.524 26.986 1.00 4.22 H new ATOM 0 HD1 PHE A 41 33.151 1.625 30.573 1.00 0.11 H new ATOM 0 HD2 PHE A 41 34.520 -1.263 27.757 1.00 2.20 H new ATOM 0 HE1 PHE A 41 34.251 0.383 32.385 1.00 60.44 H new ATOM 0 HE2 PHE A 41 35.620 -2.509 29.567 1.00 51.14 H new ATOM 0 HZ PHE A 41 35.483 -1.690 31.886 1.00 62.42 H new ATOM 548 N ARG A 42 35.878 2.403 28.508 1.00 53.04 N ATOM 549 CA ARG A 42 37.323 2.435 28.319 1.00 51.14 C ATOM 550 C ARG A 42 37.874 1.029 28.098 1.00 53.20 C ATOM 551 O ARG A 42 37.721 0.152 28.948 1.00 22.24 O ATOM 552 CB ARG A 42 38.003 3.076 29.530 1.00 51.54 C ATOM 553 CG ARG A 42 37.755 2.333 30.832 1.00 51.20 C ATOM 554 CD ARG A 42 38.246 3.130 32.030 1.00 24.24 C ATOM 555 NE ARG A 42 37.151 3.791 32.735 1.00 60.41 N ATOM 556 CZ ARG A 42 36.325 3.162 33.564 1.00 61.11 C ATOM 557 NH1 ARG A 42 36.470 1.864 33.791 1.00 30.32 N ATOM 558 NH2 ARG A 42 35.352 3.832 34.168 1.00 41.12 N ATOM 0 H ARG A 42 35.582 2.274 29.475 1.00 53.04 H new ATOM 0 HA ARG A 42 37.535 3.033 27.433 1.00 51.14 H new ATOM 0 HB2 ARG A 42 39.077 3.126 29.349 1.00 51.54 H new ATOM 0 HB3 ARG A 42 37.649 4.102 29.634 1.00 51.54 H new ATOM 0 HG2 ARG A 42 36.689 2.131 30.940 1.00 51.20 H new ATOM 0 HG3 ARG A 42 38.261 1.368 30.804 1.00 51.20 H new ATOM 0 HD2 ARG A 42 38.770 2.466 32.717 1.00 24.24 H new ATOM 0 HD3 ARG A 42 38.966 3.877 31.697 1.00 24.24 H new ATOM 0 HE ARG A 42 37.013 4.790 32.583 1.00 60.41 H new ATOM 0 HH11 ARG A 42 37.217 1.346 33.329 1.00 30.32 H new ATOM 0 HH12 ARG A 42 35.834 1.384 34.428 1.00 30.32 H new ATOM 0 HH21 ARG A 42 35.238 4.831 33.996 1.00 41.12 H new ATOM 0 HH22 ARG A 42 34.718 3.348 34.804 1.00 41.12 H new ATOM 572 N ILE A 43 38.513 0.823 26.952 1.00 42.13 N ATOM 573 CA ILE A 43 39.087 -0.475 26.620 1.00 34.32 C ATOM 574 C ILE A 43 40.430 -0.319 25.915 1.00 33.21 C ATOM 575 O ILE A 43 40.667 0.667 25.218 1.00 53.34 O ATOM 576 CB ILE A 43 38.141 -1.296 25.723 1.00 10.13 C ATOM 577 CG1 ILE A 43 36.713 -1.245 26.269 1.00 14.53 C ATOM 578 CG2 ILE A 43 38.624 -2.735 25.622 1.00 74.12 C ATOM 579 CD1 ILE A 43 35.893 -0.102 25.711 1.00 2.14 C ATOM 0 H ILE A 43 38.646 1.538 26.237 1.00 42.13 H new ATOM 0 HA ILE A 43 39.233 -1.005 27.561 1.00 34.32 H new ATOM 0 HB ILE A 43 38.143 -0.861 24.723 1.00 10.13 H new ATOM 0 HG12 ILE A 43 36.212 -2.186 26.042 1.00 14.53 H new ATOM 0 HG13 ILE A 43 36.751 -1.158 27.355 1.00 14.53 H new ATOM 0 HG21 ILE A 43 37.946 -3.303 24.985 1.00 74.12 H new ATOM 0 HG22 ILE A 43 39.626 -2.753 25.192 1.00 74.12 H new ATOM 0 HG23 ILE A 43 38.647 -3.182 26.616 1.00 74.12 H new ATOM 0 HD11 ILE A 43 34.892 -0.128 26.142 1.00 2.14 H new ATOM 0 HD12 ILE A 43 36.371 0.845 25.961 1.00 2.14 H new ATOM 0 HD13 ILE A 43 35.824 -0.199 24.627 1.00 2.14 H new ATOM 591 N LYS A 44 41.306 -1.301 26.100 1.00 2.50 N ATOM 592 CA LYS A 44 42.626 -1.276 25.480 1.00 54.52 C ATOM 593 C LYS A 44 42.515 -1.063 23.973 1.00 33.14 C ATOM 594 O LYS A 44 41.713 -1.713 23.303 1.00 53.02 O ATOM 595 CB LYS A 44 43.372 -2.580 25.768 1.00 1.00 C ATOM 596 CG LYS A 44 44.258 -2.514 27.000 1.00 31.41 C ATOM 597 CD LYS A 44 45.696 -2.881 26.673 1.00 32.13 C ATOM 598 CE LYS A 44 45.815 -4.332 26.232 1.00 14.14 C ATOM 599 NZ LYS A 44 47.089 -4.949 26.693 1.00 20.13 N ATOM 0 H LYS A 44 41.126 -2.124 26.674 1.00 2.50 H new ATOM 0 HA LYS A 44 43.185 -0.443 25.907 1.00 54.52 H new ATOM 0 HB2 LYS A 44 42.646 -3.383 25.895 1.00 1.00 H new ATOM 0 HB3 LYS A 44 43.984 -2.837 24.904 1.00 1.00 H new ATOM 0 HG2 LYS A 44 44.225 -1.509 27.420 1.00 31.41 H new ATOM 0 HG3 LYS A 44 43.873 -3.191 27.763 1.00 31.41 H new ATOM 0 HD2 LYS A 44 46.069 -2.228 25.884 1.00 32.13 H new ATOM 0 HD3 LYS A 44 46.323 -2.713 27.548 1.00 32.13 H new ATOM 0 HE2 LYS A 44 44.973 -4.901 26.625 1.00 14.14 H new ATOM 0 HE3 LYS A 44 45.757 -4.387 25.145 1.00 14.14 H new ATOM 0 HZ1 LYS A 44 47.132 -5.937 26.372 1.00 20.13 H new ATOM 0 HZ2 LYS A 44 47.893 -4.421 26.297 1.00 20.13 H new ATOM 0 HZ3 LYS A 44 47.133 -4.920 27.732 1.00 20.13 H new ATOM 613 N SER A 45 43.326 -0.151 23.448 1.00 53.43 N ATOM 614 CA SER A 45 43.317 0.149 22.021 1.00 73.45 C ATOM 615 C SER A 45 43.485 -1.125 21.197 1.00 4.24 C ATOM 616 O SER A 45 42.927 -1.251 20.107 1.00 3.23 O ATOM 617 CB SER A 45 44.429 1.141 21.679 1.00 5.40 C ATOM 618 OG SER A 45 44.683 2.017 22.764 1.00 32.33 O ATOM 0 H SER A 45 43.998 0.393 23.989 1.00 53.43 H new ATOM 0 HA SER A 45 42.354 0.596 21.775 1.00 73.45 H new ATOM 0 HB2 SER A 45 45.339 0.598 21.425 1.00 5.40 H new ATOM 0 HB3 SER A 45 44.147 1.719 20.799 1.00 5.40 H new ATOM 0 HG SER A 45 45.399 2.640 22.521 1.00 32.33 H new ATOM 624 N ARG A 46 44.259 -2.066 21.728 1.00 61.35 N ATOM 625 CA ARG A 46 44.503 -3.330 21.042 1.00 2.14 C ATOM 626 C ARG A 46 43.190 -3.984 20.624 1.00 33.22 C ATOM 627 O ARG A 46 43.136 -4.722 19.640 1.00 63.13 O ATOM 628 CB ARG A 46 45.294 -4.279 21.945 1.00 73.33 C ATOM 629 CG ARG A 46 46.561 -4.817 21.301 1.00 3.01 C ATOM 630 CD ARG A 46 46.266 -5.500 19.975 1.00 42.22 C ATOM 631 NE ARG A 46 45.388 -6.655 20.137 1.00 23.45 N ATOM 632 CZ ARG A 46 45.787 -7.816 20.646 1.00 4.34 C ATOM 633 NH1 ARG A 46 47.044 -7.974 21.040 1.00 15.54 N ATOM 634 NH2 ARG A 46 44.929 -8.821 20.762 1.00 22.05 N ATOM 0 H ARG A 46 44.727 -1.978 22.630 1.00 61.35 H new ATOM 0 HA ARG A 46 45.086 -3.122 20.145 1.00 2.14 H new ATOM 0 HB2 ARG A 46 45.558 -3.757 22.865 1.00 73.33 H new ATOM 0 HB3 ARG A 46 44.655 -5.116 22.226 1.00 73.33 H new ATOM 0 HG2 ARG A 46 47.265 -4.000 21.142 1.00 3.01 H new ATOM 0 HG3 ARG A 46 47.042 -5.524 21.977 1.00 3.01 H new ATOM 0 HD2 ARG A 46 45.803 -4.785 19.295 1.00 42.22 H new ATOM 0 HD3 ARG A 46 47.202 -5.818 19.515 1.00 42.22 H new ATOM 0 HE ARG A 46 44.415 -6.566 19.844 1.00 23.45 H new ATOM 0 HH11 ARG A 46 47.707 -7.203 20.953 1.00 15.54 H new ATOM 0 HH12 ARG A 46 47.348 -8.866 21.430 1.00 15.54 H new ATOM 0 HH21 ARG A 46 43.962 -8.703 20.460 1.00 22.05 H new ATOM 0 HH22 ARG A 46 45.237 -9.712 21.153 1.00 22.05 H new ATOM 648 N THR A 47 42.131 -3.709 21.379 1.00 34.24 N ATOM 649 CA THR A 47 40.818 -4.272 21.089 1.00 50.32 C ATOM 650 C THR A 47 39.714 -3.473 21.772 1.00 51.55 C ATOM 651 O THR A 47 39.710 -3.320 22.993 1.00 52.44 O ATOM 652 CB THR A 47 40.725 -5.742 21.538 1.00 32.13 C ATOM 653 OG1 THR A 47 41.777 -6.039 22.463 1.00 61.33 O ATOM 654 CG2 THR A 47 40.812 -6.680 20.344 1.00 45.34 C ATOM 0 H THR A 47 42.157 -3.099 22.196 1.00 34.24 H new ATOM 0 HA THR A 47 40.684 -4.221 20.008 1.00 50.32 H new ATOM 0 HB THR A 47 39.761 -5.890 22.025 1.00 32.13 H new ATOM 0 HG1 THR A 47 41.710 -6.975 22.745 1.00 61.33 H new ATOM 0 HG21 THR A 47 40.744 -7.712 20.687 1.00 45.34 H new ATOM 0 HG22 THR A 47 39.992 -6.471 19.657 1.00 45.34 H new ATOM 0 HG23 THR A 47 41.762 -6.530 19.832 1.00 45.34 H new ATOM 662 N ALA A 48 38.778 -2.965 20.976 1.00 63.24 N ATOM 663 CA ALA A 48 37.667 -2.184 21.504 1.00 1.13 C ATOM 664 C ALA A 48 36.443 -2.289 20.601 1.00 42.13 C ATOM 665 O ALA A 48 35.389 -2.768 21.020 1.00 54.32 O ATOM 666 CB ALA A 48 38.078 -0.729 21.672 1.00 1.44 C ATOM 0 H ALA A 48 38.768 -3.081 19.963 1.00 63.24 H new ATOM 0 HA ALA A 48 37.401 -2.590 22.480 1.00 1.13 H new ATOM 0 HB1 ALA A 48 37.238 -0.157 22.067 1.00 1.44 H new ATOM 0 HB2 ALA A 48 38.918 -0.666 22.364 1.00 1.44 H new ATOM 0 HB3 ALA A 48 38.373 -0.320 20.705 1.00 1.44 H new ATOM 672 N LEU A 49 36.590 -1.838 19.360 1.00 74.23 N ATOM 673 CA LEU A 49 35.495 -1.881 18.396 1.00 1.12 C ATOM 674 C LEU A 49 34.963 -3.302 18.239 1.00 11.32 C ATOM 675 O LEU A 49 33.810 -3.506 17.858 1.00 22.20 O ATOM 676 CB LEU A 49 35.961 -1.346 17.041 1.00 64.21 C ATOM 677 CG LEU A 49 35.229 -0.110 16.519 1.00 11.52 C ATOM 678 CD1 LEU A 49 33.724 -0.322 16.565 1.00 13.21 C ATOM 679 CD2 LEU A 49 35.621 1.121 17.324 1.00 55.32 C ATOM 0 H LEU A 49 37.456 -1.439 18.998 1.00 74.23 H new ATOM 0 HA LEU A 49 34.689 -1.250 18.771 1.00 1.12 H new ATOM 0 HB2 LEU A 49 37.023 -1.112 17.111 1.00 64.21 H new ATOM 0 HB3 LEU A 49 35.859 -2.142 16.304 1.00 64.21 H new ATOM 0 HG LEU A 49 35.521 0.051 15.481 1.00 11.52 H new ATOM 0 HD11 LEU A 49 33.220 0.568 16.190 1.00 13.21 H new ATOM 0 HD12 LEU A 49 33.458 -1.178 15.945 1.00 13.21 H new ATOM 0 HD13 LEU A 49 33.414 -0.508 17.593 1.00 13.21 H new ATOM 0 HD21 LEU A 49 35.091 1.992 16.939 1.00 55.32 H new ATOM 0 HD22 LEU A 49 35.358 0.970 18.371 1.00 55.32 H new ATOM 0 HD23 LEU A 49 36.695 1.284 17.239 1.00 55.32 H new ATOM 691 N LYS A 50 35.809 -4.281 18.538 1.00 64.43 N ATOM 692 CA LYS A 50 35.425 -5.684 18.434 1.00 53.13 C ATOM 693 C LYS A 50 34.314 -6.018 19.425 1.00 63.45 C ATOM 694 O LYS A 50 33.240 -6.479 19.037 1.00 23.42 O ATOM 695 CB LYS A 50 36.635 -6.586 18.684 1.00 22.13 C ATOM 696 CG LYS A 50 37.865 -6.190 17.885 1.00 33.13 C ATOM 697 CD LYS A 50 37.568 -6.136 16.396 1.00 64.30 C ATOM 698 CE LYS A 50 37.162 -7.500 15.859 1.00 70.10 C ATOM 699 NZ LYS A 50 36.937 -7.472 14.387 1.00 20.11 N ATOM 0 H LYS A 50 36.767 -4.129 18.855 1.00 64.43 H new ATOM 0 HA LYS A 50 35.053 -5.859 17.425 1.00 53.13 H new ATOM 0 HB2 LYS A 50 36.880 -6.565 19.746 1.00 22.13 H new ATOM 0 HB3 LYS A 50 36.368 -7.614 18.439 1.00 22.13 H new ATOM 0 HG2 LYS A 50 38.221 -5.216 18.222 1.00 33.13 H new ATOM 0 HG3 LYS A 50 38.667 -6.904 18.071 1.00 33.13 H new ATOM 0 HD2 LYS A 50 36.770 -5.418 16.209 1.00 64.30 H new ATOM 0 HD3 LYS A 50 38.449 -5.780 15.861 1.00 64.30 H new ATOM 0 HE2 LYS A 50 37.938 -8.228 16.094 1.00 70.10 H new ATOM 0 HE3 LYS A 50 36.252 -7.831 16.359 1.00 70.10 H new ATOM 0 HZ1 LYS A 50 36.662 -8.420 14.060 1.00 20.11 H new ATOM 0 HZ2 LYS A 50 36.179 -6.796 14.164 1.00 20.11 H new ATOM 0 HZ3 LYS A 50 37.813 -7.181 13.907 1.00 20.11 H new ATOM 713 N LYS A 51 34.579 -5.782 20.705 1.00 62.11 N ATOM 714 CA LYS A 51 33.602 -6.055 21.752 1.00 31.30 C ATOM 715 C LYS A 51 32.426 -5.087 21.665 1.00 62.51 C ATOM 716 O LYS A 51 31.307 -5.417 22.061 1.00 3.51 O ATOM 717 CB LYS A 51 34.259 -5.954 23.130 1.00 11.34 C ATOM 718 CG LYS A 51 34.135 -7.221 23.958 1.00 13.04 C ATOM 719 CD LYS A 51 34.659 -7.019 25.370 1.00 43.50 C ATOM 720 CE LYS A 51 34.249 -8.161 26.286 1.00 24.32 C ATOM 721 NZ LYS A 51 34.908 -9.441 25.905 1.00 73.41 N ATOM 0 H LYS A 51 35.463 -5.402 21.043 1.00 62.11 H new ATOM 0 HA LYS A 51 33.227 -7.068 21.609 1.00 31.30 H new ATOM 0 HB2 LYS A 51 35.315 -5.715 23.003 1.00 11.34 H new ATOM 0 HB3 LYS A 51 33.809 -5.126 23.678 1.00 11.34 H new ATOM 0 HG2 LYS A 51 33.090 -7.530 23.997 1.00 13.04 H new ATOM 0 HG3 LYS A 51 34.688 -8.027 23.476 1.00 13.04 H new ATOM 0 HD2 LYS A 51 35.746 -6.941 25.348 1.00 43.50 H new ATOM 0 HD3 LYS A 51 34.280 -6.078 25.768 1.00 43.50 H new ATOM 0 HE2 LYS A 51 34.507 -7.912 27.315 1.00 24.32 H new ATOM 0 HE3 LYS A 51 33.167 -8.285 26.250 1.00 24.32 H new ATOM 0 HZ1 LYS A 51 34.603 -10.195 26.553 1.00 73.41 H new ATOM 0 HZ2 LYS A 51 34.642 -9.692 24.932 1.00 73.41 H new ATOM 0 HZ3 LYS A 51 35.940 -9.331 25.964 1.00 73.41 H new ATOM 735 N LEU A 52 32.686 -3.894 21.143 1.00 0.22 N ATOM 736 CA LEU A 52 31.648 -2.878 21.002 1.00 5.04 C ATOM 737 C LEU A 52 30.581 -3.324 20.008 1.00 2.01 C ATOM 738 O LEU A 52 29.389 -3.312 20.316 1.00 52.25 O ATOM 739 CB LEU A 52 32.263 -1.553 20.548 1.00 12.33 C ATOM 740 CG LEU A 52 32.545 -0.531 21.651 1.00 64.34 C ATOM 741 CD1 LEU A 52 31.264 -0.171 22.385 1.00 13.44 C ATOM 742 CD2 LEU A 52 33.586 -1.069 22.622 1.00 31.21 C ATOM 0 H LEU A 52 33.606 -3.606 20.810 1.00 0.22 H new ATOM 0 HA LEU A 52 31.176 -2.738 21.974 1.00 5.04 H new ATOM 0 HB2 LEU A 52 33.198 -1.768 20.031 1.00 12.33 H new ATOM 0 HB3 LEU A 52 31.594 -1.096 19.819 1.00 12.33 H new ATOM 0 HG LEU A 52 32.941 0.374 21.190 1.00 64.34 H new ATOM 0 HD11 LEU A 52 31.484 0.557 23.166 1.00 13.44 H new ATOM 0 HD12 LEU A 52 30.549 0.256 21.682 1.00 13.44 H new ATOM 0 HD13 LEU A 52 30.838 -1.068 22.835 1.00 13.44 H new ATOM 0 HD21 LEU A 52 33.775 -0.329 23.400 1.00 31.21 H new ATOM 0 HD22 LEU A 52 33.218 -1.989 23.077 1.00 31.21 H new ATOM 0 HD23 LEU A 52 34.512 -1.275 22.085 1.00 31.21 H new ATOM 754 N ILE A 53 31.018 -3.719 18.817 1.00 52.21 N ATOM 755 CA ILE A 53 30.100 -4.172 17.779 1.00 10.02 C ATOM 756 C ILE A 53 29.522 -5.542 18.116 1.00 23.44 C ATOM 757 O ILE A 53 28.387 -5.854 17.757 1.00 71.31 O ATOM 758 CB ILE A 53 30.794 -4.244 16.406 1.00 13.51 C ATOM 759 CG1 ILE A 53 31.798 -5.398 16.377 1.00 13.21 C ATOM 760 CG2 ILE A 53 31.485 -2.925 16.093 1.00 61.04 C ATOM 761 CD1 ILE A 53 32.543 -5.518 15.066 1.00 11.32 C ATOM 0 H ILE A 53 32.001 -3.735 18.547 1.00 52.21 H new ATOM 0 HA ILE A 53 29.293 -3.441 17.731 1.00 10.02 H new ATOM 0 HB ILE A 53 30.038 -4.427 15.642 1.00 13.51 H new ATOM 0 HG12 ILE A 53 32.518 -5.263 17.184 1.00 13.21 H new ATOM 0 HG13 ILE A 53 31.271 -6.332 16.573 1.00 13.21 H new ATOM 0 HG21 ILE A 53 31.971 -2.991 15.120 1.00 61.04 H new ATOM 0 HG22 ILE A 53 30.747 -2.123 16.077 1.00 61.04 H new ATOM 0 HG23 ILE A 53 32.232 -2.715 16.858 1.00 61.04 H new ATOM 0 HD11 ILE A 53 33.237 -6.357 15.117 1.00 11.32 H new ATOM 0 HD12 ILE A 53 31.832 -5.685 14.257 1.00 11.32 H new ATOM 0 HD13 ILE A 53 33.098 -4.599 14.877 1.00 11.32 H new ATOM 773 N ASP A 54 30.311 -6.356 18.810 1.00 34.01 N ATOM 774 CA ASP A 54 29.877 -7.693 19.199 1.00 12.22 C ATOM 775 C ASP A 54 28.831 -7.624 20.308 1.00 42.32 C ATOM 776 O ASP A 54 27.850 -8.367 20.298 1.00 34.33 O ATOM 777 CB ASP A 54 31.073 -8.526 19.661 1.00 63.31 C ATOM 778 CG ASP A 54 30.658 -9.867 20.235 1.00 2.40 C ATOM 779 OD1 ASP A 54 29.986 -10.637 19.518 1.00 55.00 O ATOM 780 OD2 ASP A 54 31.007 -10.146 21.401 1.00 12.41 O ATOM 0 H ASP A 54 31.254 -6.113 19.114 1.00 34.01 H new ATOM 0 HA ASP A 54 29.427 -8.169 18.328 1.00 12.22 H new ATOM 0 HB2 ASP A 54 31.747 -8.687 18.819 1.00 63.31 H new ATOM 0 HB3 ASP A 54 31.631 -7.969 20.414 1.00 63.31 H new ATOM 785 N THR A 55 29.048 -6.726 21.264 1.00 24.13 N ATOM 786 CA THR A 55 28.127 -6.561 22.381 1.00 32.12 C ATOM 787 C THR A 55 26.853 -5.848 21.942 1.00 3.54 C ATOM 788 O THR A 55 25.757 -6.180 22.394 1.00 50.23 O ATOM 789 CB THR A 55 28.775 -5.769 23.532 1.00 2.11 C ATOM 790 OG1 THR A 55 29.936 -6.459 24.009 1.00 41.44 O ATOM 791 CG2 THR A 55 27.791 -5.572 24.675 1.00 20.23 C ATOM 0 H THR A 55 29.854 -6.102 21.287 1.00 24.13 H new ATOM 0 HA THR A 55 27.877 -7.561 22.735 1.00 32.12 H new ATOM 0 HB THR A 55 29.066 -4.790 23.151 1.00 2.11 H new ATOM 0 HG1 THR A 55 30.724 -6.157 23.510 1.00 41.44 H new ATOM 0 HG21 THR A 55 28.271 -5.010 25.476 1.00 20.23 H new ATOM 0 HG22 THR A 55 26.922 -5.021 24.316 1.00 20.23 H new ATOM 0 HG23 THR A 55 27.473 -6.544 25.053 1.00 20.23 H new ATOM 799 N TYR A 56 27.005 -4.866 21.060 1.00 32.30 N ATOM 800 CA TYR A 56 25.866 -4.104 20.561 1.00 21.34 C ATOM 801 C TYR A 56 24.993 -4.963 19.651 1.00 14.55 C ATOM 802 O TYR A 56 23.765 -4.928 19.739 1.00 75.53 O ATOM 803 CB TYR A 56 26.347 -2.865 19.805 1.00 70.04 C ATOM 804 CG TYR A 56 25.338 -1.739 19.783 1.00 73.45 C ATOM 805 CD1 TYR A 56 24.169 -1.842 19.038 1.00 44.33 C ATOM 806 CD2 TYR A 56 25.552 -0.574 20.508 1.00 42.32 C ATOM 807 CE1 TYR A 56 23.245 -0.815 19.014 1.00 21.41 C ATOM 808 CE2 TYR A 56 24.633 0.457 20.491 1.00 14.23 C ATOM 809 CZ TYR A 56 23.481 0.332 19.743 1.00 60.23 C ATOM 810 OH TYR A 56 22.562 1.356 19.723 1.00 20.10 O ATOM 0 H TYR A 56 27.905 -4.579 20.676 1.00 32.30 H new ATOM 0 HA TYR A 56 25.268 -3.790 21.416 1.00 21.34 H new ATOM 0 HB2 TYR A 56 27.269 -2.506 20.262 1.00 70.04 H new ATOM 0 HB3 TYR A 56 26.588 -3.146 18.780 1.00 70.04 H new ATOM 0 HD1 TYR A 56 23.980 -2.740 18.468 1.00 44.33 H new ATOM 0 HD2 TYR A 56 26.453 -0.472 21.095 1.00 42.32 H new ATOM 0 HE1 TYR A 56 22.343 -0.910 18.428 1.00 21.41 H new ATOM 0 HE2 TYR A 56 24.816 1.356 21.060 1.00 14.23 H new ATOM 0 HH TYR A 56 21.669 0.998 19.908 1.00 20.10 H new ATOM 820 N CYS A 57 25.635 -5.731 18.779 1.00 21.55 N ATOM 821 CA CYS A 57 24.918 -6.600 17.852 1.00 2.32 C ATOM 822 C CYS A 57 24.263 -7.762 18.591 1.00 1.15 C ATOM 823 O CYS A 57 23.107 -8.101 18.338 1.00 12.53 O ATOM 824 CB CYS A 57 25.870 -7.133 16.781 1.00 42.24 C ATOM 825 SG CYS A 57 26.275 -5.933 15.490 1.00 62.01 S ATOM 0 H CYS A 57 26.651 -5.770 18.694 1.00 21.55 H new ATOM 0 HA CYS A 57 24.136 -6.011 17.373 1.00 2.32 H new ATOM 0 HB2 CYS A 57 26.793 -7.460 17.260 1.00 42.24 H new ATOM 0 HB3 CYS A 57 25.423 -8.012 16.317 1.00 42.24 H new ATOM 0 HG CYS A 57 27.367 -5.304 15.810 1.00 62.01 H new ATOM 831 N LYS A 58 25.010 -8.371 19.506 1.00 44.11 N ATOM 832 CA LYS A 58 24.504 -9.496 20.283 1.00 70.02 C ATOM 833 C LYS A 58 23.360 -9.058 21.192 1.00 22.42 C ATOM 834 O LYS A 58 22.357 -9.760 21.328 1.00 45.14 O ATOM 835 CB LYS A 58 25.628 -10.112 21.119 1.00 12.45 C ATOM 836 CG LYS A 58 26.583 -10.975 20.314 1.00 72.32 C ATOM 837 CD LYS A 58 27.691 -11.544 21.185 1.00 54.43 C ATOM 838 CE LYS A 58 27.160 -12.597 22.145 1.00 71.23 C ATOM 839 NZ LYS A 58 27.803 -13.922 21.925 1.00 24.12 N ATOM 0 H LYS A 58 25.969 -8.104 19.728 1.00 44.11 H new ATOM 0 HA LYS A 58 24.125 -10.245 19.588 1.00 70.02 H new ATOM 0 HB2 LYS A 58 26.192 -9.312 21.600 1.00 12.45 H new ATOM 0 HB3 LYS A 58 25.189 -10.715 21.914 1.00 12.45 H new ATOM 0 HG2 LYS A 58 26.031 -11.791 19.847 1.00 72.32 H new ATOM 0 HG3 LYS A 58 27.019 -10.383 19.509 1.00 72.32 H new ATOM 0 HD2 LYS A 58 28.463 -11.983 20.553 1.00 54.43 H new ATOM 0 HD3 LYS A 58 28.161 -10.739 21.750 1.00 54.43 H new ATOM 0 HE2 LYS A 58 27.335 -12.274 23.171 1.00 71.23 H new ATOM 0 HE3 LYS A 58 26.081 -12.691 22.020 1.00 71.23 H new ATOM 0 HZ1 LYS A 58 27.414 -14.613 22.599 1.00 24.12 H new ATOM 0 HZ2 LYS A 58 27.615 -14.242 20.954 1.00 24.12 H new ATOM 0 HZ3 LYS A 58 28.830 -13.838 22.069 1.00 24.12 H new ATOM 853 N LYS A 59 23.516 -7.894 21.813 1.00 43.02 N ATOM 854 CA LYS A 59 22.496 -7.360 22.707 1.00 31.44 C ATOM 855 C LYS A 59 21.226 -7.012 21.938 1.00 41.52 C ATOM 856 O LYS A 59 20.122 -7.361 22.354 1.00 21.03 O ATOM 857 CB LYS A 59 23.022 -6.120 23.433 1.00 64.02 C ATOM 858 CG LYS A 59 23.917 -6.442 24.617 1.00 2.02 C ATOM 859 CD LYS A 59 23.105 -6.719 25.871 1.00 74.32 C ATOM 860 CE LYS A 59 23.682 -5.999 27.080 1.00 70.41 C ATOM 861 NZ LYS A 59 24.734 -6.807 27.756 1.00 23.32 N ATOM 0 H LYS A 59 24.340 -7.302 21.713 1.00 43.02 H new ATOM 0 HA LYS A 59 22.255 -8.128 23.442 1.00 31.44 H new ATOM 0 HB2 LYS A 59 23.577 -5.503 22.726 1.00 64.02 H new ATOM 0 HB3 LYS A 59 22.176 -5.526 23.779 1.00 64.02 H new ATOM 0 HG2 LYS A 59 24.534 -7.310 24.383 1.00 2.02 H new ATOM 0 HG3 LYS A 59 24.596 -5.609 24.799 1.00 2.02 H new ATOM 0 HD2 LYS A 59 22.074 -6.402 25.715 1.00 74.32 H new ATOM 0 HD3 LYS A 59 23.083 -7.792 26.062 1.00 74.32 H new ATOM 0 HE2 LYS A 59 24.103 -5.043 26.767 1.00 70.41 H new ATOM 0 HE3 LYS A 59 22.882 -5.779 27.787 1.00 70.41 H new ATOM 0 HZ1 LYS A 59 25.102 -6.282 28.575 1.00 23.32 H new ATOM 0 HZ2 LYS A 59 24.327 -7.708 28.077 1.00 23.32 H new ATOM 0 HZ3 LYS A 59 25.509 -6.996 27.089 1.00 23.32 H new ATOM 875 N GLN A 60 21.391 -6.322 20.813 1.00 25.35 N ATOM 876 CA GLN A 60 20.258 -5.928 19.986 1.00 15.41 C ATOM 877 C GLN A 60 19.525 -7.152 19.446 1.00 3.23 C ATOM 878 O GLN A 60 18.369 -7.065 19.036 1.00 14.04 O ATOM 879 CB GLN A 60 20.727 -5.047 18.827 1.00 60.13 C ATOM 880 CG GLN A 60 19.599 -4.585 17.918 1.00 62.40 C ATOM 881 CD GLN A 60 19.872 -3.233 17.290 1.00 3.10 C ATOM 882 OE1 GLN A 60 19.148 -2.266 17.531 1.00 64.34 O ATOM 883 NE2 GLN A 60 20.922 -3.157 16.480 1.00 74.13 N ATOM 0 H GLN A 60 22.299 -6.025 20.454 1.00 25.35 H new ATOM 0 HA GLN A 60 19.567 -5.360 20.609 1.00 15.41 H new ATOM 0 HB2 GLN A 60 21.239 -4.173 19.230 1.00 60.13 H new ATOM 0 HB3 GLN A 60 21.457 -5.599 18.235 1.00 60.13 H new ATOM 0 HG2 GLN A 60 19.447 -5.323 17.130 1.00 62.40 H new ATOM 0 HG3 GLN A 60 18.673 -4.535 18.491 1.00 62.40 H new ATOM 0 HE21 GLN A 60 21.495 -3.983 16.309 1.00 74.13 H new ATOM 0 HE22 GLN A 60 21.156 -2.272 16.030 1.00 74.13 H new ATOM 892 N GLY A 61 20.208 -8.293 19.449 1.00 1.20 N ATOM 893 CA GLY A 61 19.607 -9.518 18.957 1.00 74.32 C ATOM 894 C GLY A 61 19.707 -9.649 17.450 1.00 50.21 C ATOM 895 O GLY A 61 18.848 -10.261 16.815 1.00 60.41 O ATOM 0 H GLY A 61 21.167 -8.390 19.783 1.00 1.20 H new ATOM 0 HA2 GLY A 61 20.095 -10.372 19.426 1.00 74.32 H new ATOM 0 HA3 GLY A 61 18.558 -9.549 19.252 1.00 74.32 H new ATOM 899 N ILE A 62 20.757 -9.071 16.876 1.00 12.32 N ATOM 900 CA ILE A 62 20.965 -9.125 15.435 1.00 62.24 C ATOM 901 C ILE A 62 22.443 -9.291 15.099 1.00 43.23 C ATOM 902 O ILE A 62 23.303 -8.642 15.695 1.00 34.04 O ATOM 903 CB ILE A 62 20.431 -7.858 14.740 1.00 23.34 C ATOM 904 CG1 ILE A 62 21.126 -6.614 15.298 1.00 51.14 C ATOM 905 CG2 ILE A 62 18.924 -7.753 14.916 1.00 72.40 C ATOM 906 CD1 ILE A 62 22.339 -6.190 14.499 1.00 32.41 C ATOM 0 H ILE A 62 21.477 -8.560 17.387 1.00 12.32 H new ATOM 0 HA ILE A 62 20.412 -9.990 15.069 1.00 62.24 H new ATOM 0 HB ILE A 62 20.649 -7.926 13.674 1.00 23.34 H new ATOM 0 HG12 ILE A 62 20.413 -5.790 15.325 1.00 51.14 H new ATOM 0 HG13 ILE A 62 21.428 -6.807 16.327 1.00 51.14 H new ATOM 0 HG21 ILE A 62 18.562 -6.853 14.420 1.00 72.40 H new ATOM 0 HG22 ILE A 62 18.445 -8.628 14.477 1.00 72.40 H new ATOM 0 HG23 ILE A 62 18.684 -7.703 15.978 1.00 72.40 H new ATOM 0 HD11 ILE A 62 22.781 -5.302 14.952 1.00 32.41 H new ATOM 0 HD12 ILE A 62 23.071 -6.997 14.493 1.00 32.41 H new ATOM 0 HD13 ILE A 62 22.040 -5.964 13.475 1.00 32.41 H new ATOM 918 N SER A 63 22.732 -10.163 14.138 1.00 2.20 N ATOM 919 CA SER A 63 24.107 -10.416 13.723 1.00 1.42 C ATOM 920 C SER A 63 24.774 -9.131 13.242 1.00 4.33 C ATOM 921 O SER A 63 24.125 -8.093 13.111 1.00 44.21 O ATOM 922 CB SER A 63 24.142 -11.468 12.613 1.00 20.03 C ATOM 923 OG SER A 63 23.585 -12.694 13.055 1.00 14.31 O ATOM 0 H SER A 63 22.032 -10.706 13.632 1.00 2.20 H new ATOM 0 HA SER A 63 24.658 -10.790 14.586 1.00 1.42 H new ATOM 0 HB2 SER A 63 23.589 -11.105 11.746 1.00 20.03 H new ATOM 0 HB3 SER A 63 25.171 -11.627 12.291 1.00 20.03 H new ATOM 0 HG SER A 63 23.617 -13.349 12.327 1.00 14.31 H new ATOM 929 N ARG A 64 26.075 -9.209 12.982 1.00 42.25 N ATOM 930 CA ARG A 64 26.832 -8.053 12.516 1.00 10.44 C ATOM 931 C ARG A 64 26.719 -7.902 11.002 1.00 30.22 C ATOM 932 O ARG A 64 27.725 -7.789 10.303 1.00 12.52 O ATOM 933 CB ARG A 64 28.302 -8.183 12.918 1.00 22.44 C ATOM 934 CG ARG A 64 28.503 -8.670 14.344 1.00 32.03 C ATOM 935 CD ARG A 64 28.785 -10.164 14.389 1.00 41.43 C ATOM 936 NE ARG A 64 27.715 -10.903 15.052 1.00 73.41 N ATOM 937 CZ ARG A 64 27.601 -11.007 16.371 1.00 23.33 C ATOM 938 NH1 ARG A 64 28.488 -10.421 17.164 1.00 33.44 N ATOM 939 NH2 ARG A 64 26.599 -11.698 16.900 1.00 2.00 N ATOM 0 H ARG A 64 26.627 -10.060 13.086 1.00 42.25 H new ATOM 0 HA ARG A 64 26.412 -7.163 12.984 1.00 10.44 H new ATOM 0 HB2 ARG A 64 28.797 -8.873 12.234 1.00 22.44 H new ATOM 0 HB3 ARG A 64 28.789 -7.215 12.802 1.00 22.44 H new ATOM 0 HG2 ARG A 64 29.331 -8.129 14.801 1.00 32.03 H new ATOM 0 HG3 ARG A 64 27.613 -8.449 14.934 1.00 32.03 H new ATOM 0 HD2 ARG A 64 28.910 -10.540 13.374 1.00 41.43 H new ATOM 0 HD3 ARG A 64 29.725 -10.340 14.912 1.00 41.43 H new ATOM 0 HE ARG A 64 27.016 -11.365 14.470 1.00 73.41 H new ATOM 0 HH11 ARG A 64 29.260 -9.889 16.761 1.00 33.44 H new ATOM 0 HH12 ARG A 64 28.399 -10.502 18.177 1.00 33.44 H new ATOM 0 HH21 ARG A 64 25.915 -12.150 16.293 1.00 2.00 H new ATOM 0 HH22 ARG A 64 26.513 -11.777 17.913 1.00 2.00 H new ATOM 953 N ASN A 65 25.487 -7.903 10.503 1.00 62.21 N ATOM 954 CA ASN A 65 25.243 -7.768 9.072 1.00 54.05 C ATOM 955 C ASN A 65 24.084 -6.812 8.806 1.00 73.04 C ATOM 956 O ASN A 65 23.224 -7.081 7.966 1.00 0.45 O ATOM 957 CB ASN A 65 24.943 -9.135 8.453 1.00 42.12 C ATOM 958 CG ASN A 65 25.750 -10.248 9.093 1.00 73.43 C ATOM 959 OD1 ASN A 65 25.260 -10.960 9.970 1.00 54.31 O ATOM 960 ND2 ASN A 65 26.994 -10.404 8.656 1.00 71.05 N ATOM 0 H ASN A 65 24.643 -7.996 11.068 1.00 62.21 H new ATOM 0 HA ASN A 65 26.142 -7.358 8.613 1.00 54.05 H new ATOM 0 HB2 ASN A 65 23.880 -9.353 8.558 1.00 42.12 H new ATOM 0 HB3 ASN A 65 25.157 -9.102 7.385 1.00 42.12 H new ATOM 0 HD21 ASN A 65 27.584 -11.137 9.049 1.00 71.05 H new ATOM 0 HD22 ASN A 65 27.359 -9.791 7.927 1.00 71.05 H new ATOM 967 N SER A 66 24.068 -5.695 9.526 1.00 71.11 N ATOM 968 CA SER A 66 23.013 -4.700 9.370 1.00 22.14 C ATOM 969 C SER A 66 23.303 -3.464 10.217 1.00 62.31 C ATOM 970 O SER A 66 22.390 -2.836 10.753 1.00 71.50 O ATOM 971 CB SER A 66 21.660 -5.295 9.763 1.00 34.23 C ATOM 972 OG SER A 66 20.646 -4.901 8.854 1.00 23.35 O ATOM 0 H SER A 66 24.773 -5.456 10.223 1.00 71.11 H new ATOM 0 HA SER A 66 22.980 -4.402 8.322 1.00 22.14 H new ATOM 0 HB2 SER A 66 21.730 -6.383 9.785 1.00 34.23 H new ATOM 0 HB3 SER A 66 21.396 -4.972 10.770 1.00 34.23 H new ATOM 0 HG SER A 66 19.791 -5.296 9.126 1.00 23.35 H new ATOM 978 N VAL A 67 24.582 -3.121 10.332 1.00 1.34 N ATOM 979 CA VAL A 67 24.994 -1.960 11.112 1.00 3.23 C ATOM 980 C VAL A 67 26.309 -1.388 10.594 1.00 61.22 C ATOM 981 O VAL A 67 27.334 -2.070 10.586 1.00 71.34 O ATOM 982 CB VAL A 67 25.153 -2.313 12.603 1.00 0.31 C ATOM 983 CG1 VAL A 67 23.791 -2.476 13.261 1.00 5.54 C ATOM 984 CG2 VAL A 67 25.987 -3.574 12.766 1.00 62.44 C ATOM 0 H VAL A 67 25.350 -3.630 9.895 1.00 1.34 H new ATOM 0 HA VAL A 67 24.208 -1.212 11.005 1.00 3.23 H new ATOM 0 HB VAL A 67 25.674 -1.494 13.099 1.00 0.31 H new ATOM 0 HG11 VAL A 67 23.923 -2.725 14.314 1.00 5.54 H new ATOM 0 HG12 VAL A 67 23.232 -1.544 13.176 1.00 5.54 H new ATOM 0 HG13 VAL A 67 23.241 -3.276 12.765 1.00 5.54 H new ATOM 0 HG21 VAL A 67 26.089 -3.808 13.826 1.00 62.44 H new ATOM 0 HG22 VAL A 67 25.496 -4.403 12.257 1.00 62.44 H new ATOM 0 HG23 VAL A 67 26.975 -3.416 12.333 1.00 62.44 H new ATOM 994 N ARG A 68 26.272 -0.132 10.162 1.00 4.21 N ATOM 995 CA ARG A 68 27.461 0.532 9.641 1.00 2.10 C ATOM 996 C ARG A 68 28.144 1.356 10.728 1.00 4.14 C ATOM 997 O ARG A 68 27.627 2.388 11.158 1.00 70.52 O ATOM 998 CB ARG A 68 27.093 1.432 8.460 1.00 35.01 C ATOM 999 CG ARG A 68 26.873 0.673 7.161 1.00 2.34 C ATOM 1000 CD ARG A 68 26.458 1.606 6.034 1.00 5.35 C ATOM 1001 NE ARG A 68 27.601 2.308 5.456 1.00 3.24 N ATOM 1002 CZ ARG A 68 28.467 1.742 4.623 1.00 75.24 C ATOM 1003 NH1 ARG A 68 28.319 0.472 4.271 1.00 23.10 N ATOM 1004 NH2 ARG A 68 29.481 2.446 4.138 1.00 4.14 N ATOM 0 H ARG A 68 25.432 0.446 10.162 1.00 4.21 H new ATOM 0 HA ARG A 68 28.155 -0.236 9.301 1.00 2.10 H new ATOM 0 HB2 ARG A 68 26.187 1.986 8.705 1.00 35.01 H new ATOM 0 HB3 ARG A 68 27.885 2.166 8.313 1.00 35.01 H new ATOM 0 HG2 ARG A 68 27.789 0.151 6.884 1.00 2.34 H new ATOM 0 HG3 ARG A 68 26.105 -0.086 7.308 1.00 2.34 H new ATOM 0 HD2 ARG A 68 25.953 1.033 5.256 1.00 5.35 H new ATOM 0 HD3 ARG A 68 25.739 2.333 6.411 1.00 5.35 H new ATOM 0 HE ARG A 68 27.742 3.287 5.706 1.00 3.24 H new ATOM 0 HH11 ARG A 68 27.539 -0.072 4.640 1.00 23.10 H new ATOM 0 HH12 ARG A 68 28.985 0.039 3.631 1.00 23.10 H new ATOM 0 HH21 ARG A 68 29.597 3.424 4.405 1.00 4.14 H new ATOM 0 HH22 ARG A 68 30.145 2.010 3.498 1.00 4.14 H new ATOM 1018 N PHE A 69 29.309 0.894 11.170 1.00 23.40 N ATOM 1019 CA PHE A 69 30.063 1.587 12.208 1.00 30.44 C ATOM 1020 C PHE A 69 31.165 2.448 11.598 1.00 73.12 C ATOM 1021 O PHE A 69 32.194 1.937 11.155 1.00 43.12 O ATOM 1022 CB PHE A 69 30.671 0.579 13.186 1.00 71.41 C ATOM 1023 CG PHE A 69 29.739 0.183 14.296 1.00 43.12 C ATOM 1024 CD1 PHE A 69 28.374 0.098 14.075 1.00 62.41 C ATOM 1025 CD2 PHE A 69 30.229 -0.103 15.560 1.00 11.52 C ATOM 1026 CE1 PHE A 69 27.514 -0.266 15.094 1.00 62.40 C ATOM 1027 CE2 PHE A 69 29.374 -0.467 16.583 1.00 71.41 C ATOM 1028 CZ PHE A 69 28.015 -0.548 16.350 1.00 72.21 C ATOM 0 H PHE A 69 29.752 0.042 10.825 1.00 23.40 H new ATOM 0 HA PHE A 69 29.375 2.238 12.748 1.00 30.44 H new ATOM 0 HB2 PHE A 69 30.969 -0.314 12.636 1.00 71.41 H new ATOM 0 HB3 PHE A 69 31.577 1.005 13.618 1.00 71.41 H new ATOM 0 HD1 PHE A 69 27.977 0.319 13.095 1.00 62.41 H new ATOM 0 HD2 PHE A 69 31.291 -0.041 15.748 1.00 11.52 H new ATOM 0 HE1 PHE A 69 26.452 -0.330 14.908 1.00 62.40 H new ATOM 0 HE2 PHE A 69 29.768 -0.688 17.564 1.00 71.41 H new ATOM 0 HZ PHE A 69 27.345 -0.831 17.148 1.00 72.21 H new ATOM 1038 N LEU A 70 30.941 3.757 11.577 1.00 13.12 N ATOM 1039 CA LEU A 70 31.913 4.691 11.021 1.00 43.13 C ATOM 1040 C LEU A 70 32.461 5.616 12.103 1.00 53.33 C ATOM 1041 O LEU A 70 31.816 5.839 13.128 1.00 44.42 O ATOM 1042 CB LEU A 70 31.275 5.517 9.903 1.00 72.04 C ATOM 1043 CG LEU A 70 29.798 5.867 10.086 1.00 13.04 C ATOM 1044 CD1 LEU A 70 29.621 6.849 11.234 1.00 13.01 C ATOM 1045 CD2 LEU A 70 29.221 6.438 8.799 1.00 12.44 C ATOM 0 H LEU A 70 30.094 4.196 11.939 1.00 13.12 H new ATOM 0 HA LEU A 70 32.741 4.113 10.610 1.00 43.13 H new ATOM 0 HB2 LEU A 70 31.837 6.445 9.798 1.00 72.04 H new ATOM 0 HB3 LEU A 70 31.385 4.970 8.967 1.00 72.04 H new ATOM 0 HG LEU A 70 29.255 4.954 10.329 1.00 13.04 H new ATOM 0 HD11 LEU A 70 28.564 7.087 11.350 1.00 13.01 H new ATOM 0 HD12 LEU A 70 29.996 6.403 12.155 1.00 13.01 H new ATOM 0 HD13 LEU A 70 30.177 7.762 11.021 1.00 13.01 H new ATOM 0 HD21 LEU A 70 28.169 6.681 8.948 1.00 12.44 H new ATOM 0 HD22 LEU A 70 29.767 7.341 8.525 1.00 12.44 H new ATOM 0 HD23 LEU A 70 29.313 5.702 8.001 1.00 12.44 H new ATOM 1057 N PHE A 71 33.653 6.154 11.867 1.00 52.14 N ATOM 1058 CA PHE A 71 34.287 7.057 12.820 1.00 32.24 C ATOM 1059 C PHE A 71 34.797 8.314 12.123 1.00 52.42 C ATOM 1060 O PHE A 71 35.807 8.281 11.420 1.00 1.01 O ATOM 1061 CB PHE A 71 35.442 6.351 13.533 1.00 65.35 C ATOM 1062 CG PHE A 71 36.356 7.289 14.268 1.00 31.24 C ATOM 1063 CD1 PHE A 71 35.839 8.325 15.029 1.00 4.22 C ATOM 1064 CD2 PHE A 71 37.731 7.135 14.199 1.00 61.42 C ATOM 1065 CE1 PHE A 71 36.677 9.190 15.708 1.00 41.10 C ATOM 1066 CE2 PHE A 71 38.574 7.996 14.876 1.00 73.04 C ATOM 1067 CZ PHE A 71 38.046 9.026 15.630 1.00 22.31 C ATOM 0 H PHE A 71 34.199 5.980 11.023 1.00 52.14 H new ATOM 0 HA PHE A 71 33.539 7.350 13.557 1.00 32.24 H new ATOM 0 HB2 PHE A 71 35.035 5.627 14.238 1.00 65.35 H new ATOM 0 HB3 PHE A 71 36.023 5.791 12.800 1.00 65.35 H new ATOM 0 HD1 PHE A 71 34.769 8.458 15.093 1.00 4.22 H new ATOM 0 HD2 PHE A 71 38.149 6.333 13.609 1.00 61.42 H new ATOM 0 HE1 PHE A 71 36.261 9.993 16.299 1.00 41.10 H new ATOM 0 HE2 PHE A 71 39.644 7.864 14.816 1.00 73.04 H new ATOM 0 HZ PHE A 71 38.703 9.702 16.158 1.00 22.31 H new ATOM 1077 N ASP A 72 34.090 9.422 12.322 1.00 63.41 N ATOM 1078 CA ASP A 72 34.470 10.691 11.713 1.00 5.00 C ATOM 1079 C ASP A 72 34.525 10.570 10.193 1.00 1.03 C ATOM 1080 O ASP A 72 35.227 11.327 9.525 1.00 44.31 O ATOM 1081 CB ASP A 72 35.826 11.152 12.249 1.00 5.44 C ATOM 1082 CG ASP A 72 36.031 12.647 12.098 1.00 13.03 C ATOM 1083 OD1 ASP A 72 35.599 13.398 12.997 1.00 1.25 O ATOM 1084 OD2 ASP A 72 36.621 13.066 11.081 1.00 64.35 O ATOM 0 H ASP A 72 33.251 9.466 12.900 1.00 63.41 H new ATOM 0 HA ASP A 72 33.714 11.431 11.973 1.00 5.00 H new ATOM 0 HB2 ASP A 72 35.908 10.882 13.302 1.00 5.44 H new ATOM 0 HB3 ASP A 72 36.620 10.624 11.721 1.00 5.44 H new ATOM 1089 N GLY A 73 33.779 9.611 9.654 1.00 61.33 N ATOM 1090 CA GLY A 73 33.758 9.407 8.217 1.00 51.10 C ATOM 1091 C GLY A 73 34.513 8.162 7.797 1.00 71.33 C ATOM 1092 O GLY A 73 34.702 7.913 6.605 1.00 25.05 O ATOM 0 H GLY A 73 33.189 8.972 10.186 1.00 61.33 H new ATOM 0 HA2 GLY A 73 32.724 9.333 7.879 1.00 51.10 H new ATOM 0 HA3 GLY A 73 34.193 10.276 7.723 1.00 51.10 H new ATOM 1096 N THR A 74 34.948 7.376 8.777 1.00 73.10 N ATOM 1097 CA THR A 74 35.689 6.151 8.503 1.00 11.31 C ATOM 1098 C THR A 74 34.844 4.918 8.804 1.00 42.53 C ATOM 1099 O THR A 74 34.869 4.373 9.907 1.00 0.33 O ATOM 1100 CB THR A 74 36.987 6.084 9.329 1.00 23.12 C ATOM 1101 OG1 THR A 74 37.599 7.377 9.386 1.00 4.12 O ATOM 1102 CG2 THR A 74 37.961 5.083 8.726 1.00 31.42 C ATOM 0 H THR A 74 34.800 7.566 9.768 1.00 73.10 H new ATOM 0 HA THR A 74 35.942 6.165 7.443 1.00 11.31 H new ATOM 0 HB THR A 74 36.733 5.758 10.338 1.00 23.12 H new ATOM 0 HG1 THR A 74 37.140 7.927 10.054 1.00 4.12 H new ATOM 0 HG21 THR A 74 38.870 5.053 9.326 1.00 31.42 H new ATOM 0 HG22 THR A 74 37.503 4.094 8.711 1.00 31.42 H new ATOM 0 HG23 THR A 74 38.208 5.384 7.708 1.00 31.42 H new ATOM 1110 N PRO A 75 34.078 4.466 7.800 1.00 10.10 N ATOM 1111 CA PRO A 75 33.212 3.291 7.933 1.00 13.01 C ATOM 1112 C PRO A 75 34.007 1.994 8.041 1.00 15.23 C ATOM 1113 O PRO A 75 34.320 1.362 7.032 1.00 23.24 O ATOM 1114 CB PRO A 75 32.390 3.308 6.642 1.00 53.31 C ATOM 1115 CG PRO A 75 33.239 4.042 5.662 1.00 60.40 C ATOM 1116 CD PRO A 75 33.999 5.067 6.458 1.00 73.42 C ATOM 0 HA PRO A 75 32.608 3.331 8.840 1.00 13.01 H new ATOM 0 HB2 PRO A 75 32.172 2.297 6.298 1.00 53.31 H new ATOM 0 HB3 PRO A 75 31.433 3.808 6.789 1.00 53.31 H new ATOM 0 HG2 PRO A 75 33.920 3.362 5.150 1.00 60.40 H new ATOM 0 HG3 PRO A 75 32.627 4.518 4.896 1.00 60.40 H new ATOM 0 HD2 PRO A 75 34.989 5.248 6.040 1.00 73.42 H new ATOM 0 HD3 PRO A 75 33.481 6.026 6.477 1.00 73.42 H new ATOM 1124 N ILE A 76 34.328 1.604 9.270 1.00 65.22 N ATOM 1125 CA ILE A 76 35.085 0.381 9.509 1.00 43.14 C ATOM 1126 C ILE A 76 34.735 -0.226 10.863 1.00 63.53 C ATOM 1127 O ILE A 76 34.608 0.485 11.860 1.00 63.34 O ATOM 1128 CB ILE A 76 36.603 0.638 9.451 1.00 73.04 C ATOM 1129 CG1 ILE A 76 36.953 1.477 8.220 1.00 3.01 C ATOM 1130 CG2 ILE A 76 37.363 -0.680 9.434 1.00 53.12 C ATOM 1131 CD1 ILE A 76 38.435 1.748 8.075 1.00 35.33 C ATOM 0 H ILE A 76 34.076 2.117 10.115 1.00 65.22 H new ATOM 0 HA ILE A 76 34.813 -0.318 8.719 1.00 43.14 H new ATOM 0 HB ILE A 76 36.897 1.193 10.342 1.00 73.04 H new ATOM 0 HG12 ILE A 76 36.597 0.964 7.327 1.00 3.01 H new ATOM 0 HG13 ILE A 76 36.422 2.427 8.275 1.00 3.01 H new ATOM 0 HG21 ILE A 76 38.434 -0.482 9.393 1.00 53.12 H new ATOM 0 HG22 ILE A 76 37.133 -1.244 10.338 1.00 53.12 H new ATOM 0 HG23 ILE A 76 37.067 -1.259 8.559 1.00 53.12 H new ATOM 0 HD11 ILE A 76 38.610 2.347 7.182 1.00 35.33 H new ATOM 0 HD12 ILE A 76 38.793 2.289 8.951 1.00 35.33 H new ATOM 0 HD13 ILE A 76 38.971 0.803 7.988 1.00 35.33 H new ATOM 1143 N ASP A 77 34.582 -1.546 10.891 1.00 4.31 N ATOM 1144 CA ASP A 77 34.250 -2.251 12.124 1.00 50.43 C ATOM 1145 C ASP A 77 35.447 -3.046 12.634 1.00 20.53 C ATOM 1146 O ASP A 77 35.611 -4.220 12.302 1.00 42.33 O ATOM 1147 CB ASP A 77 33.060 -3.184 11.897 1.00 30.44 C ATOM 1148 CG ASP A 77 33.158 -3.940 10.587 1.00 50.24 C ATOM 1149 OD1 ASP A 77 33.742 -5.044 10.581 1.00 54.42 O ATOM 1150 OD2 ASP A 77 32.652 -3.427 9.566 1.00 12.14 O ATOM 0 H ASP A 77 34.683 -2.149 10.074 1.00 4.31 H new ATOM 0 HA ASP A 77 33.982 -1.510 12.877 1.00 50.43 H new ATOM 0 HB2 ASP A 77 32.998 -3.896 12.720 1.00 30.44 H new ATOM 0 HB3 ASP A 77 32.138 -2.602 11.909 1.00 30.44 H new ATOM 1155 N GLU A 78 36.280 -2.399 13.443 1.00 23.20 N ATOM 1156 CA GLU A 78 37.463 -3.047 13.997 1.00 22.04 C ATOM 1157 C GLU A 78 38.238 -2.088 14.896 1.00 11.34 C ATOM 1158 O GLU A 78 37.928 -0.898 14.968 1.00 31.05 O ATOM 1159 CB GLU A 78 38.369 -3.553 12.873 1.00 71.22 C ATOM 1160 CG GLU A 78 38.728 -2.485 11.853 1.00 21.42 C ATOM 1161 CD GLU A 78 39.158 -3.071 10.522 1.00 12.21 C ATOM 1162 OE1 GLU A 78 38.273 -3.419 9.713 1.00 31.20 O ATOM 1163 OE2 GLU A 78 40.380 -3.180 10.290 1.00 61.13 O ATOM 0 H GLU A 78 36.158 -1.428 13.729 1.00 23.20 H new ATOM 0 HA GLU A 78 37.133 -3.895 14.597 1.00 22.04 H new ATOM 0 HB2 GLU A 78 39.286 -3.951 13.308 1.00 71.22 H new ATOM 0 HB3 GLU A 78 37.874 -4.379 12.363 1.00 71.22 H new ATOM 0 HG2 GLU A 78 37.869 -1.832 11.698 1.00 21.42 H new ATOM 0 HG3 GLU A 78 39.532 -1.865 12.249 1.00 21.42 H new ATOM 1170 N THR A 79 39.248 -2.614 15.582 1.00 43.11 N ATOM 1171 CA THR A 79 40.067 -1.807 16.478 1.00 53.44 C ATOM 1172 C THR A 79 41.518 -1.768 16.012 1.00 73.40 C ATOM 1173 O THR A 79 42.441 -1.720 16.825 1.00 12.42 O ATOM 1174 CB THR A 79 40.017 -2.343 17.921 1.00 54.22 C ATOM 1175 OG1 THR A 79 38.767 -3.002 18.155 1.00 24.32 O ATOM 1176 CG2 THR A 79 40.196 -1.214 18.924 1.00 12.52 C ATOM 0 H THR A 79 39.519 -3.596 15.534 1.00 43.11 H new ATOM 0 HA THR A 79 39.655 -0.798 16.459 1.00 53.44 H new ATOM 0 HB THR A 79 40.833 -3.055 18.050 1.00 54.22 H new ATOM 0 HG1 THR A 79 38.114 -2.714 17.483 1.00 24.32 H new ATOM 0 HG21 THR A 79 40.157 -1.617 19.936 1.00 12.52 H new ATOM 0 HG22 THR A 79 41.160 -0.733 18.762 1.00 12.52 H new ATOM 0 HG23 THR A 79 39.399 -0.482 18.794 1.00 12.52 H new ATOM 1184 N LYS A 80 41.713 -1.790 14.698 1.00 62.21 N ATOM 1185 CA LYS A 80 43.052 -1.756 14.122 1.00 5.15 C ATOM 1186 C LYS A 80 43.218 -0.552 13.201 1.00 2.42 C ATOM 1187 O LYS A 80 44.163 0.226 13.342 1.00 70.14 O ATOM 1188 CB LYS A 80 43.330 -3.046 13.348 1.00 61.23 C ATOM 1189 CG LYS A 80 43.155 -4.305 14.179 1.00 14.15 C ATOM 1190 CD LYS A 80 44.027 -4.278 15.423 1.00 1.42 C ATOM 1191 CE LYS A 80 44.356 -5.683 15.904 1.00 2.50 C ATOM 1192 NZ LYS A 80 45.782 -6.034 15.655 1.00 32.24 N ATOM 0 H LYS A 80 40.960 -1.831 14.011 1.00 62.21 H new ATOM 0 HA LYS A 80 43.769 -1.668 14.938 1.00 5.15 H new ATOM 0 HB2 LYS A 80 42.663 -3.094 12.487 1.00 61.23 H new ATOM 0 HB3 LYS A 80 44.349 -3.015 12.961 1.00 61.23 H new ATOM 0 HG2 LYS A 80 42.109 -4.408 14.469 1.00 14.15 H new ATOM 0 HG3 LYS A 80 43.406 -5.178 13.576 1.00 14.15 H new ATOM 0 HD2 LYS A 80 44.951 -3.740 15.210 1.00 1.42 H new ATOM 0 HD3 LYS A 80 43.515 -3.732 16.215 1.00 1.42 H new ATOM 0 HE2 LYS A 80 44.143 -5.761 16.970 1.00 2.50 H new ATOM 0 HE3 LYS A 80 43.711 -6.401 15.397 1.00 2.50 H new ATOM 0 HZ1 LYS A 80 45.967 -6.999 15.997 1.00 32.24 H new ATOM 0 HZ2 LYS A 80 45.979 -5.984 14.635 1.00 32.24 H new ATOM 0 HZ3 LYS A 80 46.398 -5.364 16.159 1.00 32.24 H new ATOM 1206 N THR A 81 42.293 -0.401 12.258 1.00 31.54 N ATOM 1207 CA THR A 81 42.336 0.708 11.315 1.00 45.25 C ATOM 1208 C THR A 81 42.185 2.045 12.031 1.00 51.34 C ATOM 1209 O THR A 81 43.063 2.907 11.979 1.00 15.35 O ATOM 1210 CB THR A 81 41.232 0.582 10.248 1.00 65.02 C ATOM 1211 OG1 THR A 81 40.447 -0.590 10.492 1.00 62.33 O ATOM 1212 CG2 THR A 81 41.834 0.514 8.852 1.00 12.31 C ATOM 0 H THR A 81 41.504 -1.034 12.128 1.00 31.54 H new ATOM 0 HA THR A 81 43.309 0.669 10.826 1.00 45.25 H new ATOM 0 HB THR A 81 40.595 1.465 10.309 1.00 65.02 H new ATOM 0 HG1 THR A 81 40.993 -1.388 10.335 1.00 62.33 H new ATOM 0 HG21 THR A 81 41.036 0.425 8.115 1.00 12.31 H new ATOM 0 HG22 THR A 81 42.407 1.421 8.658 1.00 12.31 H new ATOM 0 HG23 THR A 81 42.491 -0.353 8.781 1.00 12.31 H new ATOM 1220 N PRO A 82 41.046 2.225 12.716 1.00 72.23 N ATOM 1221 CA PRO A 82 40.753 3.455 13.457 1.00 43.32 C ATOM 1222 C PRO A 82 41.635 3.612 14.691 1.00 42.31 C ATOM 1223 O PRO A 82 41.795 4.714 15.214 1.00 13.51 O ATOM 1224 CB PRO A 82 39.288 3.284 13.865 1.00 20.30 C ATOM 1225 CG PRO A 82 39.074 1.810 13.896 1.00 34.22 C ATOM 1226 CD PRO A 82 39.956 1.240 12.820 1.00 11.11 C ATOM 0 HA PRO A 82 40.941 4.346 12.858 1.00 43.32 H new ATOM 0 HB2 PRO A 82 39.093 3.733 14.839 1.00 20.30 H new ATOM 0 HB3 PRO A 82 38.619 3.766 13.152 1.00 20.30 H new ATOM 0 HG2 PRO A 82 39.333 1.399 14.872 1.00 34.22 H new ATOM 0 HG3 PRO A 82 38.028 1.564 13.714 1.00 34.22 H new ATOM 0 HD2 PRO A 82 40.331 0.252 13.089 1.00 11.11 H new ATOM 0 HD3 PRO A 82 39.421 1.132 11.877 1.00 11.11 H new ATOM 1234 N GLU A 83 42.206 2.503 15.150 1.00 33.20 N ATOM 1235 CA GLU A 83 43.071 2.519 16.323 1.00 4.13 C ATOM 1236 C GLU A 83 44.437 3.109 15.984 1.00 63.54 C ATOM 1237 O GLU A 83 44.933 3.993 16.680 1.00 0.34 O ATOM 1238 CB GLU A 83 43.239 1.104 16.881 1.00 72.02 C ATOM 1239 CG GLU A 83 43.622 1.070 18.351 1.00 54.22 C ATOM 1240 CD GLU A 83 44.817 0.178 18.622 1.00 61.31 C ATOM 1241 OE1 GLU A 83 44.753 -1.021 18.275 1.00 12.54 O ATOM 1242 OE2 GLU A 83 45.816 0.677 19.180 1.00 23.44 O ATOM 0 H GLU A 83 42.085 1.583 14.727 1.00 33.20 H new ATOM 0 HA GLU A 83 42.601 3.147 17.080 1.00 4.13 H new ATOM 0 HB2 GLU A 83 42.307 0.556 16.745 1.00 72.02 H new ATOM 0 HB3 GLU A 83 44.003 0.583 16.303 1.00 72.02 H new ATOM 0 HG2 GLU A 83 43.845 2.082 18.688 1.00 54.22 H new ATOM 0 HG3 GLU A 83 42.772 0.720 18.936 1.00 54.22 H new ATOM 1249 N GLU A 84 45.039 2.610 14.908 1.00 5.41 N ATOM 1250 CA GLU A 84 46.348 3.087 14.477 1.00 65.30 C ATOM 1251 C GLU A 84 46.236 4.452 13.805 1.00 4.44 C ATOM 1252 O GLU A 84 47.138 5.285 13.912 1.00 53.21 O ATOM 1253 CB GLU A 84 46.989 2.084 13.515 1.00 42.11 C ATOM 1254 CG GLU A 84 46.357 2.077 12.133 1.00 34.34 C ATOM 1255 CD GLU A 84 47.023 3.051 11.181 1.00 11.04 C ATOM 1256 OE1 GLU A 84 48.255 2.953 10.999 1.00 34.21 O ATOM 1257 OE2 GLU A 84 46.314 3.911 10.619 1.00 14.33 O ATOM 0 H GLU A 84 44.642 1.877 14.320 1.00 5.41 H new ATOM 0 HA GLU A 84 46.979 3.187 15.360 1.00 65.30 H new ATOM 0 HB2 GLU A 84 48.050 2.313 13.419 1.00 42.11 H new ATOM 0 HB3 GLU A 84 46.916 1.085 13.944 1.00 42.11 H new ATOM 0 HG2 GLU A 84 46.414 1.071 11.717 1.00 34.34 H new ATOM 0 HG3 GLU A 84 45.299 2.326 12.220 1.00 34.34 H new ATOM 1264 N LEU A 85 45.125 4.675 13.113 1.00 14.13 N ATOM 1265 CA LEU A 85 44.893 5.939 12.423 1.00 4.41 C ATOM 1266 C LEU A 85 44.504 7.035 13.410 1.00 54.20 C ATOM 1267 O LEU A 85 44.850 8.201 13.227 1.00 3.33 O ATOM 1268 CB LEU A 85 43.798 5.774 11.368 1.00 1.21 C ATOM 1269 CG LEU A 85 43.652 6.921 10.367 1.00 32.03 C ATOM 1270 CD1 LEU A 85 44.931 7.094 9.563 1.00 73.33 C ATOM 1271 CD2 LEU A 85 42.468 6.675 9.444 1.00 54.12 C ATOM 0 H LEU A 85 44.370 3.997 13.015 1.00 14.13 H new ATOM 0 HA LEU A 85 45.821 6.231 11.931 1.00 4.41 H new ATOM 0 HB2 LEU A 85 43.992 4.856 10.813 1.00 1.21 H new ATOM 0 HB3 LEU A 85 42.845 5.642 11.880 1.00 1.21 H new ATOM 0 HG LEU A 85 43.469 7.841 10.922 1.00 32.03 H new ATOM 0 HD11 LEU A 85 44.808 7.915 8.856 1.00 73.33 H new ATOM 0 HD12 LEU A 85 45.758 7.317 10.238 1.00 73.33 H new ATOM 0 HD13 LEU A 85 45.145 6.175 9.018 1.00 73.33 H new ATOM 0 HD21 LEU A 85 42.379 7.501 8.738 1.00 54.12 H new ATOM 0 HD22 LEU A 85 42.621 5.745 8.897 1.00 54.12 H new ATOM 0 HD23 LEU A 85 41.555 6.603 10.035 1.00 54.12 H new ATOM 1283 N GLY A 86 43.781 6.651 14.458 1.00 5.14 N ATOM 1284 CA GLY A 86 43.358 7.612 15.460 1.00 44.31 C ATOM 1285 C GLY A 86 44.362 7.754 16.587 1.00 15.44 C ATOM 1286 O GLY A 86 44.891 8.840 16.822 1.00 1.15 O ATOM 0 H GLY A 86 43.481 5.692 14.631 1.00 5.14 H new ATOM 0 HA2 GLY A 86 43.207 8.583 14.987 1.00 44.31 H new ATOM 0 HA3 GLY A 86 42.396 7.305 15.871 1.00 44.31 H new ATOM 1290 N MET A 87 44.622 6.655 17.288 1.00 40.34 N ATOM 1291 CA MET A 87 45.568 6.663 18.397 1.00 23.12 C ATOM 1292 C MET A 87 45.090 7.586 19.513 1.00 1.42 C ATOM 1293 O MET A 87 45.897 8.169 20.236 1.00 0.15 O ATOM 1294 CB MET A 87 46.951 7.103 17.913 1.00 23.51 C ATOM 1295 CG MET A 87 47.436 6.344 16.688 1.00 31.12 C ATOM 1296 SD MET A 87 49.157 6.700 16.287 1.00 42.25 S ATOM 1297 CE MET A 87 49.962 5.224 16.904 1.00 75.31 C ATOM 0 H MET A 87 44.191 5.748 17.108 1.00 40.34 H new ATOM 0 HA MET A 87 45.635 5.649 18.792 1.00 23.12 H new ATOM 0 HB2 MET A 87 46.925 8.168 17.683 1.00 23.51 H new ATOM 0 HB3 MET A 87 47.670 6.969 18.722 1.00 23.51 H new ATOM 0 HG2 MET A 87 47.321 5.274 16.859 1.00 31.12 H new ATOM 0 HG3 MET A 87 46.808 6.600 15.835 1.00 31.12 H new ATOM 0 HE1 MET A 87 51.035 5.294 16.728 1.00 75.31 H new ATOM 0 HE2 MET A 87 49.775 5.128 17.974 1.00 75.31 H new ATOM 0 HE3 MET A 87 49.566 4.350 16.386 1.00 75.31 H new ATOM 1307 N GLU A 88 43.774 7.715 19.646 1.00 75.40 N ATOM 1308 CA GLU A 88 43.190 8.569 20.674 1.00 73.44 C ATOM 1309 C GLU A 88 42.187 7.792 21.521 1.00 34.34 C ATOM 1310 O GLU A 88 41.594 6.816 21.062 1.00 74.43 O ATOM 1311 CB GLU A 88 42.505 9.778 20.034 1.00 12.32 C ATOM 1312 CG GLU A 88 41.431 9.407 19.026 1.00 52.04 C ATOM 1313 CD GLU A 88 40.588 10.596 18.606 1.00 45.00 C ATOM 1314 OE1 GLU A 88 41.171 11.662 18.315 1.00 60.34 O ATOM 1315 OE2 GLU A 88 39.348 10.461 18.569 1.00 13.41 O ATOM 0 H GLU A 88 43.092 7.239 19.055 1.00 75.40 H new ATOM 0 HA GLU A 88 43.994 8.917 21.322 1.00 73.44 H new ATOM 0 HB2 GLU A 88 42.059 10.390 20.818 1.00 12.32 H new ATOM 0 HB3 GLU A 88 43.258 10.392 19.540 1.00 12.32 H new ATOM 0 HG2 GLU A 88 41.901 8.970 18.145 1.00 52.04 H new ATOM 0 HG3 GLU A 88 40.784 8.642 19.455 1.00 52.04 H new ATOM 1322 N ASP A 89 42.003 8.232 22.761 1.00 31.33 N ATOM 1323 CA ASP A 89 41.072 7.579 23.674 1.00 32.12 C ATOM 1324 C ASP A 89 39.660 8.130 23.496 1.00 23.44 C ATOM 1325 O ASP A 89 38.769 7.850 24.298 1.00 75.43 O ATOM 1326 CB ASP A 89 41.527 7.767 25.122 1.00 4.11 C ATOM 1327 CG ASP A 89 41.889 9.206 25.433 1.00 45.13 C ATOM 1328 OD1 ASP A 89 41.375 10.109 24.741 1.00 11.42 O ATOM 1329 OD2 ASP A 89 42.688 9.429 26.367 1.00 62.02 O ATOM 0 H ASP A 89 42.486 9.038 23.157 1.00 31.33 H new ATOM 0 HA ASP A 89 41.060 6.514 23.441 1.00 32.12 H new ATOM 0 HB2 ASP A 89 40.733 7.442 25.794 1.00 4.11 H new ATOM 0 HB3 ASP A 89 42.389 7.129 25.315 1.00 4.11 H new ATOM 1334 N ASP A 90 39.466 8.915 22.443 1.00 74.55 N ATOM 1335 CA ASP A 90 38.163 9.505 22.159 1.00 34.03 C ATOM 1336 C ASP A 90 37.601 8.977 20.843 1.00 63.13 C ATOM 1337 O ASP A 90 37.064 9.736 20.036 1.00 3.53 O ATOM 1338 CB ASP A 90 38.270 11.030 22.107 1.00 23.20 C ATOM 1339 CG ASP A 90 38.491 11.642 23.476 1.00 34.24 C ATOM 1340 OD1 ASP A 90 37.497 11.825 24.211 1.00 65.13 O ATOM 1341 OD2 ASP A 90 39.656 11.939 23.814 1.00 61.35 O ATOM 0 H ASP A 90 40.194 9.158 21.771 1.00 74.55 H new ATOM 0 HA ASP A 90 37.482 9.223 22.962 1.00 34.03 H new ATOM 0 HB2 ASP A 90 39.093 11.311 21.449 1.00 23.20 H new ATOM 0 HB3 ASP A 90 37.359 11.441 21.671 1.00 23.20 H new ATOM 1346 N ASP A 91 37.730 7.672 20.632 1.00 64.32 N ATOM 1347 CA ASP A 91 37.236 7.042 19.413 1.00 61.40 C ATOM 1348 C ASP A 91 35.717 6.905 19.449 1.00 22.04 C ATOM 1349 O ASP A 91 35.166 6.217 20.308 1.00 33.33 O ATOM 1350 CB ASP A 91 37.880 5.667 19.227 1.00 60.20 C ATOM 1351 CG ASP A 91 37.286 4.902 18.060 1.00 1.52 C ATOM 1352 OD1 ASP A 91 36.943 5.543 17.045 1.00 51.11 O ATOM 1353 OD2 ASP A 91 37.164 3.664 18.163 1.00 74.33 O ATOM 0 H ASP A 91 38.172 7.030 21.289 1.00 64.32 H new ATOM 0 HA ASP A 91 37.506 7.678 18.570 1.00 61.40 H new ATOM 0 HB2 ASP A 91 38.952 5.789 19.070 1.00 60.20 H new ATOM 0 HB3 ASP A 91 37.756 5.085 20.140 1.00 60.20 H new ATOM 1358 N VAL A 92 35.046 7.566 18.512 1.00 51.23 N ATOM 1359 CA VAL A 92 33.591 7.519 18.436 1.00 33.23 C ATOM 1360 C VAL A 92 33.129 6.695 17.239 1.00 20.04 C ATOM 1361 O VAL A 92 33.808 6.638 16.214 1.00 71.34 O ATOM 1362 CB VAL A 92 32.987 8.932 18.336 1.00 44.41 C ATOM 1363 CG1 VAL A 92 33.591 9.847 19.391 1.00 61.20 C ATOM 1364 CG2 VAL A 92 33.197 9.503 16.941 1.00 32.23 C ATOM 0 H VAL A 92 35.487 8.141 17.794 1.00 51.23 H new ATOM 0 HA VAL A 92 33.242 7.047 19.355 1.00 33.23 H new ATOM 0 HB VAL A 92 31.915 8.864 18.519 1.00 44.41 H new ATOM 0 HG11 VAL A 92 33.152 10.841 19.305 1.00 61.20 H new ATOM 0 HG12 VAL A 92 33.385 9.444 20.383 1.00 61.20 H new ATOM 0 HG13 VAL A 92 34.669 9.912 19.242 1.00 61.20 H new ATOM 0 HG21 VAL A 92 32.764 10.502 16.888 1.00 32.23 H new ATOM 0 HG22 VAL A 92 34.264 9.558 16.727 1.00 32.23 H new ATOM 0 HG23 VAL A 92 32.713 8.858 16.207 1.00 32.23 H new ATOM 1374 N ILE A 93 31.971 6.059 17.377 1.00 14.04 N ATOM 1375 CA ILE A 93 31.417 5.239 16.306 1.00 3.55 C ATOM 1376 C ILE A 93 29.927 5.504 16.126 1.00 55.43 C ATOM 1377 O ILE A 93 29.117 5.175 16.993 1.00 24.12 O ATOM 1378 CB ILE A 93 31.631 3.739 16.578 1.00 24.31 C ATOM 1379 CG1 ILE A 93 33.089 3.469 16.956 1.00 3.42 C ATOM 1380 CG2 ILE A 93 31.234 2.918 15.360 1.00 0.03 C ATOM 1381 CD1 ILE A 93 34.068 3.776 15.844 1.00 23.44 C ATOM 0 H ILE A 93 31.398 6.095 18.220 1.00 14.04 H new ATOM 0 HA ILE A 93 31.945 5.513 15.393 1.00 3.55 H new ATOM 0 HB ILE A 93 30.998 3.443 17.414 1.00 24.31 H new ATOM 0 HG12 ILE A 93 33.346 4.067 17.831 1.00 3.42 H new ATOM 0 HG13 ILE A 93 33.194 2.423 17.243 1.00 3.42 H new ATOM 0 HG21 ILE A 93 31.391 1.860 15.568 1.00 0.03 H new ATOM 0 HG22 ILE A 93 30.182 3.091 15.132 1.00 0.03 H new ATOM 0 HG23 ILE A 93 31.844 3.215 14.507 1.00 0.03 H new ATOM 0 HD11 ILE A 93 35.082 3.561 16.182 1.00 23.44 H new ATOM 0 HD12 ILE A 93 33.837 3.159 14.975 1.00 23.44 H new ATOM 0 HD13 ILE A 93 33.991 4.829 15.572 1.00 23.44 H new ATOM 1393 N ASP A 94 29.570 6.100 14.993 1.00 62.31 N ATOM 1394 CA ASP A 94 28.176 6.406 14.696 1.00 12.51 C ATOM 1395 C ASP A 94 27.534 5.287 13.882 1.00 24.23 C ATOM 1396 O ASP A 94 27.757 5.177 12.677 1.00 73.40 O ATOM 1397 CB ASP A 94 28.073 7.730 13.936 1.00 62.42 C ATOM 1398 CG ASP A 94 27.265 8.768 14.688 1.00 11.41 C ATOM 1399 OD1 ASP A 94 26.264 8.389 15.333 1.00 44.52 O ATOM 1400 OD2 ASP A 94 27.633 9.960 14.633 1.00 42.21 O ATOM 0 H ASP A 94 30.227 6.381 14.265 1.00 62.31 H new ATOM 0 HA ASP A 94 27.641 6.495 15.641 1.00 12.51 H new ATOM 0 HB2 ASP A 94 29.075 8.118 13.751 1.00 62.42 H new ATOM 0 HB3 ASP A 94 27.615 7.552 12.963 1.00 62.42 H new ATOM 1405 N ALA A 95 26.739 4.458 14.550 1.00 32.11 N ATOM 1406 CA ALA A 95 26.065 3.348 13.889 1.00 74.51 C ATOM 1407 C ALA A 95 24.894 3.840 13.045 1.00 50.10 C ATOM 1408 O ALA A 95 23.952 4.439 13.563 1.00 2.41 O ATOM 1409 CB ALA A 95 25.587 2.333 14.917 1.00 74.21 C ATOM 0 H ALA A 95 26.546 4.534 15.549 1.00 32.11 H new ATOM 0 HA ALA A 95 26.781 2.866 13.224 1.00 74.51 H new ATOM 0 HB1 ALA A 95 25.085 1.509 14.409 1.00 74.21 H new ATOM 0 HB2 ALA A 95 26.442 1.949 15.474 1.00 74.21 H new ATOM 0 HB3 ALA A 95 24.891 2.812 15.605 1.00 74.21 H new ATOM 1415 N MET A 96 24.960 3.584 11.743 1.00 44.14 N ATOM 1416 CA MET A 96 23.905 4.002 10.827 1.00 33.33 C ATOM 1417 C MET A 96 23.339 2.806 10.068 1.00 62.13 C ATOM 1418 O MET A 96 24.022 1.799 9.878 1.00 13.01 O ATOM 1419 CB MET A 96 24.438 5.042 9.840 1.00 30.22 C ATOM 1420 CG MET A 96 23.982 6.459 10.145 1.00 12.35 C ATOM 1421 SD MET A 96 25.209 7.698 9.687 1.00 24.12 S ATOM 1422 CE MET A 96 25.521 7.251 7.981 1.00 71.30 C ATOM 0 H MET A 96 25.733 3.089 11.298 1.00 44.14 H new ATOM 0 HA MET A 96 23.104 4.449 11.416 1.00 33.33 H new ATOM 0 HB2 MET A 96 25.528 5.011 9.845 1.00 30.22 H new ATOM 0 HB3 MET A 96 24.116 4.774 8.834 1.00 30.22 H new ATOM 0 HG2 MET A 96 23.052 6.660 9.612 1.00 12.35 H new ATOM 0 HG3 MET A 96 23.764 6.545 11.210 1.00 12.35 H new ATOM 0 HE1 MET A 96 26.091 8.043 7.496 1.00 71.30 H new ATOM 0 HE2 MET A 96 26.089 6.322 7.947 1.00 71.30 H new ATOM 0 HE3 MET A 96 24.573 7.116 7.461 1.00 71.30 H new ATOM 1432 N VAL A 97 22.088 2.923 9.635 1.00 13.11 N ATOM 1433 CA VAL A 97 21.431 1.852 8.896 1.00 71.15 C ATOM 1434 C VAL A 97 21.451 2.127 7.396 1.00 30.21 C ATOM 1435 O VAL A 97 21.188 3.246 6.957 1.00 24.03 O ATOM 1436 CB VAL A 97 19.972 1.667 9.353 1.00 71.31 C ATOM 1437 CG1 VAL A 97 19.352 0.450 8.683 1.00 65.31 C ATOM 1438 CG2 VAL A 97 19.900 1.546 10.868 1.00 61.13 C ATOM 0 H VAL A 97 21.509 3.749 9.783 1.00 13.11 H new ATOM 0 HA VAL A 97 21.987 0.938 9.103 1.00 71.15 H new ATOM 0 HB VAL A 97 19.402 2.546 9.054 1.00 71.31 H new ATOM 0 HG11 VAL A 97 18.321 0.336 9.018 1.00 65.31 H new ATOM 0 HG12 VAL A 97 19.369 0.582 7.601 1.00 65.31 H new ATOM 0 HG13 VAL A 97 19.921 -0.441 8.949 1.00 65.31 H new ATOM 0 HG21 VAL A 97 18.862 1.416 11.174 1.00 61.13 H new ATOM 0 HG22 VAL A 97 20.484 0.685 11.192 1.00 61.13 H new ATOM 0 HG23 VAL A 97 20.302 2.450 11.325 1.00 61.13 H new