USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 57 THR OG1 : rot -31:sc= 0.438 USER MOD Set 1.2: A 59 GLN : amide:sc= -1.13 K(o=-0.69,f=-4.5!) USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= -2.39! (180deg=-5.03!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.746 K(o=-0.75,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.619 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.00467 (180deg=-0.502) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 88:sc= 0.655 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0486) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.819 K(o=0.82,f=-0.89) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.342 USER MOD ----------------------------------------------------------------- ATOM 273 N ARG A 18 -7.839 -9.048 -1.554 1.00 71.34 N ATOM 274 CA ARG A 18 -7.315 -9.340 -0.210 1.00 75.35 C ATOM 275 C ARG A 18 -6.852 -8.056 0.509 1.00 72.34 C ATOM 276 O ARG A 18 -6.635 -7.020 -0.121 1.00 33.31 O ATOM 277 CB ARG A 18 -6.171 -10.361 -0.325 1.00 53.34 C ATOM 278 CG ARG A 18 -5.089 -9.954 -1.322 1.00 25.01 C ATOM 279 CD ARG A 18 -4.138 -11.097 -1.656 1.00 43.11 C ATOM 280 NE ARG A 18 -3.398 -11.564 -0.487 1.00 65.11 N ATOM 281 CZ ARG A 18 -2.155 -11.952 -0.512 1.00 21.35 C ATOM 282 NH1 ARG A 18 -1.461 -11.899 -1.605 1.00 71.12 N ATOM 283 NH2 ARG A 18 -1.602 -12.380 0.575 1.00 14.43 N ATOM 0 HA ARG A 18 -8.114 -9.766 0.396 1.00 75.35 H new ATOM 0 HB2 ARG A 18 -5.717 -10.498 0.656 1.00 53.34 H new ATOM 0 HB3 ARG A 18 -6.584 -11.325 -0.622 1.00 53.34 H new ATOM 0 HG2 ARG A 18 -5.560 -9.599 -2.239 1.00 25.01 H new ATOM 0 HG3 ARG A 18 -4.519 -9.120 -0.913 1.00 25.01 H new ATOM 0 HD2 ARG A 18 -4.705 -11.926 -2.079 1.00 43.11 H new ATOM 0 HD3 ARG A 18 -3.434 -10.769 -2.421 1.00 43.11 H new ATOM 0 HE ARG A 18 -3.887 -11.588 0.408 1.00 65.11 H new ATOM 0 HH11 ARG A 18 -1.887 -11.549 -2.463 1.00 71.12 H new ATOM 0 HH12 ARG A 18 -0.489 -12.207 -1.607 1.00 71.12 H new ATOM 0 HH21 ARG A 18 -2.139 -12.412 1.442 1.00 14.43 H new ATOM 0 HH22 ARG A 18 -0.629 -12.686 0.566 1.00 14.43 H new ATOM 297 N LYS A 19 -6.705 -8.127 1.836 1.00 21.51 N ATOM 298 CA LYS A 19 -6.410 -6.936 2.652 1.00 62.42 C ATOM 299 C LYS A 19 -5.068 -7.053 3.397 1.00 61.30 C ATOM 300 O LYS A 19 -4.692 -8.129 3.869 1.00 71.13 O ATOM 301 CB LYS A 19 -7.542 -6.713 3.666 1.00 13.41 C ATOM 302 CG LYS A 19 -8.917 -6.511 3.027 1.00 51.23 C ATOM 303 CD LYS A 19 -10.037 -6.370 4.064 1.00 34.32 C ATOM 304 CE LYS A 19 -10.297 -7.667 4.836 1.00 24.40 C ATOM 305 NZ LYS A 19 -9.211 -8.001 5.798 1.00 5.32 N ATOM 0 H LYS A 19 -6.784 -8.992 2.370 1.00 21.51 H new ATOM 0 HA LYS A 19 -6.335 -6.086 1.973 1.00 62.42 H new ATOM 0 HB2 LYS A 19 -7.587 -7.569 4.339 1.00 13.41 H new ATOM 0 HB3 LYS A 19 -7.304 -5.841 4.275 1.00 13.41 H new ATOM 0 HG2 LYS A 19 -8.894 -5.620 2.400 1.00 51.23 H new ATOM 0 HG3 LYS A 19 -9.137 -7.355 2.373 1.00 51.23 H new ATOM 0 HD2 LYS A 19 -9.777 -5.579 4.768 1.00 34.32 H new ATOM 0 HD3 LYS A 19 -10.954 -6.061 3.562 1.00 34.32 H new ATOM 0 HE2 LYS A 19 -11.239 -7.578 5.377 1.00 24.40 H new ATOM 0 HE3 LYS A 19 -10.412 -8.488 4.128 1.00 24.40 H new ATOM 0 HZ1 LYS A 19 -9.628 -8.355 6.683 1.00 5.32 H new ATOM 0 HZ2 LYS A 19 -8.596 -8.732 5.387 1.00 5.32 H new ATOM 0 HZ3 LYS A 19 -8.649 -7.149 5.997 1.00 5.32 H new ATOM 319 N VAL A 20 -4.356 -5.932 3.503 1.00 23.25 N ATOM 320 CA VAL A 20 -3.092 -5.871 4.245 1.00 3.32 C ATOM 321 C VAL A 20 -3.040 -4.628 5.151 1.00 71.21 C ATOM 322 O VAL A 20 -3.444 -3.536 4.753 1.00 21.21 O ATOM 323 CB VAL A 20 -1.867 -5.867 3.287 1.00 54.51 C ATOM 324 CG1 VAL A 20 -1.792 -7.174 2.498 1.00 24.40 C ATOM 325 CG2 VAL A 20 -1.909 -4.666 2.339 1.00 34.11 C ATOM 0 H VAL A 20 -4.634 -5.046 3.082 1.00 23.25 H new ATOM 0 HA VAL A 20 -3.045 -6.766 4.866 1.00 3.32 H new ATOM 0 HB VAL A 20 -0.968 -5.781 3.897 1.00 54.51 H new ATOM 0 HG11 VAL A 20 -0.928 -7.149 1.834 1.00 24.40 H new ATOM 0 HG12 VAL A 20 -1.695 -8.011 3.189 1.00 24.40 H new ATOM 0 HG13 VAL A 20 -2.700 -7.295 1.907 1.00 24.40 H new ATOM 0 HG21 VAL A 20 -1.040 -4.691 1.682 1.00 34.11 H new ATOM 0 HG22 VAL A 20 -2.818 -4.707 1.740 1.00 34.11 H new ATOM 0 HG23 VAL A 20 -1.899 -3.744 2.920 1.00 34.11 H new ATOM 335 N ARG A 21 -2.553 -4.801 6.376 1.00 24.43 N ATOM 336 CA ARG A 21 -2.462 -3.696 7.337 1.00 63.51 C ATOM 337 C ARG A 21 -1.057 -3.078 7.349 1.00 63.40 C ATOM 338 O ARG A 21 -0.057 -3.790 7.395 1.00 53.02 O ATOM 339 CB ARG A 21 -2.801 -4.199 8.741 1.00 74.01 C ATOM 340 CG ARG A 21 -2.968 -3.090 9.777 1.00 53.21 C ATOM 341 CD ARG A 21 -2.972 -3.646 11.198 1.00 64.43 C ATOM 342 NE ARG A 21 -3.817 -4.833 11.329 1.00 64.20 N ATOM 343 CZ ARG A 21 -3.899 -5.559 12.410 1.00 21.13 C ATOM 344 NH1 ARG A 21 -3.251 -5.231 13.481 1.00 33.03 N ATOM 345 NH2 ARG A 21 -4.629 -6.621 12.411 1.00 74.45 N ATOM 0 H ARG A 21 -2.214 -5.695 6.731 1.00 24.43 H new ATOM 0 HA ARG A 21 -3.174 -2.930 7.032 1.00 63.51 H new ATOM 0 HB2 ARG A 21 -3.722 -4.780 8.695 1.00 74.01 H new ATOM 0 HB3 ARG A 21 -2.014 -4.876 9.073 1.00 74.01 H new ATOM 0 HG2 ARG A 21 -2.159 -2.367 9.671 1.00 53.21 H new ATOM 0 HG3 ARG A 21 -3.900 -2.556 9.592 1.00 53.21 H new ATOM 0 HD2 ARG A 21 -1.952 -3.895 11.491 1.00 64.43 H new ATOM 0 HD3 ARG A 21 -3.322 -2.876 11.886 1.00 64.43 H new ATOM 0 HE ARG A 21 -4.378 -5.111 10.524 1.00 64.20 H new ATOM 0 HH11 ARG A 21 -2.666 -4.395 13.488 1.00 33.03 H new ATOM 0 HH12 ARG A 21 -3.325 -5.808 14.319 1.00 33.03 H new ATOM 0 HH21 ARG A 21 -5.139 -6.890 11.570 1.00 74.45 H new ATOM 0 HH22 ARG A 21 -4.697 -7.192 13.253 1.00 74.45 H new ATOM 359 N ALA A 22 -0.981 -1.753 7.326 1.00 5.05 N ATOM 360 CA ALA A 22 0.309 -1.059 7.380 1.00 54.13 C ATOM 361 C ALA A 22 0.873 -1.010 8.808 1.00 41.00 C ATOM 362 O ALA A 22 0.146 -0.733 9.761 1.00 24.15 O ATOM 363 CB ALA A 22 0.168 0.354 6.830 1.00 40.44 C ATOM 0 H ALA A 22 -1.791 -1.136 7.271 1.00 5.05 H new ATOM 0 HA ALA A 22 1.010 -1.622 6.764 1.00 54.13 H new ATOM 0 HB1 ALA A 22 1.132 0.860 6.875 1.00 40.44 H new ATOM 0 HB2 ALA A 22 -0.170 0.309 5.795 1.00 40.44 H new ATOM 0 HB3 ALA A 22 -0.559 0.906 7.426 1.00 40.44 H new ATOM 369 N ILE A 23 2.168 -1.287 8.957 1.00 74.20 N ATOM 370 CA ILE A 23 2.844 -1.121 10.253 1.00 34.03 C ATOM 371 C ILE A 23 3.737 0.130 10.252 1.00 65.12 C ATOM 372 O ILE A 23 4.044 0.682 11.305 1.00 54.00 O ATOM 373 CB ILE A 23 3.685 -2.364 10.652 1.00 15.32 C ATOM 374 CG1 ILE A 23 4.687 -2.727 9.543 1.00 12.13 C ATOM 375 CG2 ILE A 23 2.769 -3.549 10.968 1.00 10.31 C ATOM 376 CD1 ILE A 23 5.579 -3.902 9.878 1.00 60.43 C ATOM 0 H ILE A 23 2.770 -1.625 8.206 1.00 74.20 H new ATOM 0 HA ILE A 23 2.055 -1.003 10.996 1.00 34.03 H new ATOM 0 HB ILE A 23 4.253 -2.120 11.550 1.00 15.32 H new ATOM 0 HG12 ILE A 23 4.136 -2.951 8.630 1.00 12.13 H new ATOM 0 HG13 ILE A 23 5.311 -1.858 9.334 1.00 12.13 H new ATOM 0 HG21 ILE A 23 3.374 -4.412 11.246 1.00 10.31 H new ATOM 0 HG22 ILE A 23 2.108 -3.288 11.794 1.00 10.31 H new ATOM 0 HG23 ILE A 23 2.172 -3.792 10.089 1.00 10.31 H new ATOM 0 HD11 ILE A 23 6.256 -4.094 9.046 1.00 60.43 H new ATOM 0 HD12 ILE A 23 6.159 -3.675 10.773 1.00 60.43 H new ATOM 0 HD13 ILE A 23 4.966 -4.785 10.058 1.00 60.43 H new ATOM 388 N TYR A 24 4.137 0.577 9.060 1.00 44.04 N ATOM 389 CA TYR A 24 4.916 1.815 8.909 1.00 41.24 C ATOM 390 C TYR A 24 4.228 2.775 7.927 1.00 75.11 C ATOM 391 O TYR A 24 3.386 2.358 7.129 1.00 24.02 O ATOM 392 CB TYR A 24 6.350 1.497 8.453 1.00 74.11 C ATOM 393 CG TYR A 24 7.111 0.635 9.446 1.00 75.44 C ATOM 394 CD1 TYR A 24 7.282 1.052 10.761 1.00 34.11 C ATOM 395 CD2 TYR A 24 7.640 -0.599 9.077 1.00 63.25 C ATOM 396 CE1 TYR A 24 7.956 0.271 11.675 1.00 23.30 C ATOM 397 CE2 TYR A 24 8.316 -1.387 9.990 1.00 32.44 C ATOM 398 CZ TYR A 24 8.471 -0.949 11.287 1.00 11.25 C ATOM 399 OH TYR A 24 9.144 -1.730 12.201 1.00 11.43 O ATOM 0 H TYR A 24 3.935 0.101 8.181 1.00 44.04 H new ATOM 0 HA TYR A 24 4.969 2.308 9.879 1.00 41.24 H new ATOM 0 HB2 TYR A 24 6.315 0.987 7.490 1.00 74.11 H new ATOM 0 HB3 TYR A 24 6.892 2.430 8.300 1.00 74.11 H new ATOM 0 HD1 TYR A 24 6.880 2.005 11.072 1.00 34.11 H new ATOM 0 HD2 TYR A 24 7.520 -0.946 8.061 1.00 63.25 H new ATOM 0 HE1 TYR A 24 8.081 0.613 12.692 1.00 23.30 H new ATOM 0 HE2 TYR A 24 8.721 -2.342 9.688 1.00 32.44 H new ATOM 0 HH TYR A 24 9.442 -2.557 11.768 1.00 11.43 H new ATOM 409 N ASP A 25 4.582 4.059 7.997 1.00 3.42 N ATOM 410 CA ASP A 25 3.892 5.100 7.222 1.00 62.13 C ATOM 411 C ASP A 25 4.732 5.599 6.030 1.00 74.20 C ATOM 412 O ASP A 25 5.962 5.676 6.106 1.00 34.22 O ATOM 413 CB ASP A 25 3.534 6.271 8.147 1.00 42.25 C ATOM 414 CG ASP A 25 4.753 6.917 8.784 1.00 43.24 C ATOM 415 OD1 ASP A 25 5.418 6.259 9.614 1.00 50.34 O ATOM 416 OD2 ASP A 25 5.046 8.089 8.467 1.00 12.55 O ATOM 0 H ASP A 25 5.342 4.407 8.582 1.00 3.42 H new ATOM 0 HA ASP A 25 2.985 4.660 6.808 1.00 62.13 H new ATOM 0 HB2 ASP A 25 2.987 7.023 7.578 1.00 42.25 H new ATOM 0 HB3 ASP A 25 2.866 5.916 8.932 1.00 42.25 H new ATOM 421 N PHE A 26 4.052 5.950 4.936 1.00 44.24 N ATOM 422 CA PHE A 26 4.723 6.448 3.727 1.00 31.22 C ATOM 423 C PHE A 26 3.719 7.082 2.749 1.00 10.12 C ATOM 424 O PHE A 26 2.736 6.454 2.353 1.00 33.23 O ATOM 425 CB PHE A 26 5.483 5.302 3.039 1.00 72.12 C ATOM 426 CG PHE A 26 6.225 5.704 1.786 1.00 61.32 C ATOM 427 CD1 PHE A 26 7.490 6.271 1.863 1.00 51.33 C ATOM 428 CD2 PHE A 26 5.660 5.509 0.533 1.00 73.31 C ATOM 429 CE1 PHE A 26 8.172 6.637 0.718 1.00 1.51 C ATOM 430 CE2 PHE A 26 6.338 5.873 -0.615 1.00 23.22 C ATOM 431 CZ PHE A 26 7.596 6.439 -0.522 1.00 10.01 C ATOM 0 H PHE A 26 3.036 5.899 4.860 1.00 44.24 H new ATOM 0 HA PHE A 26 5.430 7.221 4.027 1.00 31.22 H new ATOM 0 HB2 PHE A 26 6.195 4.879 3.747 1.00 72.12 H new ATOM 0 HB3 PHE A 26 4.775 4.512 2.789 1.00 72.12 H new ATOM 0 HD1 PHE A 26 7.946 6.428 2.829 1.00 51.33 H new ATOM 0 HD2 PHE A 26 4.678 5.067 0.454 1.00 73.31 H new ATOM 0 HE1 PHE A 26 9.155 7.078 0.793 1.00 1.51 H new ATOM 0 HE2 PHE A 26 5.886 5.716 -1.583 1.00 23.22 H new ATOM 0 HZ PHE A 26 8.128 6.726 -1.417 1.00 10.01 H new ATOM 441 N GLU A 27 3.964 8.336 2.375 1.00 20.20 N ATOM 442 CA GLU A 27 3.141 9.019 1.373 1.00 11.42 C ATOM 443 C GLU A 27 3.694 8.782 -0.042 1.00 75.54 C ATOM 444 O GLU A 27 4.907 8.666 -0.235 1.00 21.40 O ATOM 445 CB GLU A 27 3.060 10.529 1.665 1.00 64.34 C ATOM 446 CG GLU A 27 2.288 10.891 2.940 1.00 52.34 C ATOM 447 CD GLU A 27 3.073 10.658 4.227 1.00 72.15 C ATOM 448 OE1 GLU A 27 3.029 9.539 4.779 1.00 30.10 O ATOM 449 OE2 GLU A 27 3.723 11.605 4.714 1.00 62.41 O ATOM 0 H GLU A 27 4.725 8.902 2.749 1.00 20.20 H new ATOM 0 HA GLU A 27 2.135 8.602 1.427 1.00 11.42 H new ATOM 0 HB2 GLU A 27 4.072 10.926 1.744 1.00 64.34 H new ATOM 0 HB3 GLU A 27 2.588 11.025 0.817 1.00 64.34 H new ATOM 0 HG2 GLU A 27 1.995 11.940 2.890 1.00 52.34 H new ATOM 0 HG3 GLU A 27 1.370 10.305 2.975 1.00 52.34 H new ATOM 456 N ALA A 28 2.800 8.724 -1.029 1.00 1.31 N ATOM 457 CA ALA A 28 3.179 8.416 -2.413 1.00 3.25 C ATOM 458 C ALA A 28 4.212 9.404 -2.976 1.00 52.21 C ATOM 459 O ALA A 28 3.893 10.558 -3.266 1.00 44.34 O ATOM 460 CB ALA A 28 1.941 8.398 -3.303 1.00 33.30 C ATOM 0 H ALA A 28 1.802 8.887 -0.897 1.00 1.31 H new ATOM 0 HA ALA A 28 3.645 7.431 -2.405 1.00 3.25 H new ATOM 0 HB1 ALA A 28 2.233 8.169 -4.328 1.00 33.30 H new ATOM 0 HB2 ALA A 28 1.246 7.638 -2.945 1.00 33.30 H new ATOM 0 HB3 ALA A 28 1.457 9.374 -3.273 1.00 33.30 H new ATOM 466 N ALA A 29 5.454 8.947 -3.115 1.00 41.40 N ATOM 467 CA ALA A 29 6.502 9.751 -3.752 1.00 44.04 C ATOM 468 C ALA A 29 6.211 9.939 -5.250 1.00 33.53 C ATOM 469 O ALA A 29 6.362 11.031 -5.791 1.00 44.53 O ATOM 470 CB ALA A 29 7.865 9.099 -3.548 1.00 60.54 C ATOM 0 H ALA A 29 5.762 8.028 -2.797 1.00 41.40 H new ATOM 0 HA ALA A 29 6.513 10.735 -3.284 1.00 44.04 H new ATOM 0 HB1 ALA A 29 8.634 9.706 -4.026 1.00 60.54 H new ATOM 0 HB2 ALA A 29 8.075 9.021 -2.481 1.00 60.54 H new ATOM 0 HB3 ALA A 29 7.862 8.103 -3.991 1.00 60.54 H new ATOM 476 N GLU A 30 5.787 8.863 -5.910 1.00 42.22 N ATOM 477 CA GLU A 30 5.384 8.914 -7.323 1.00 40.45 C ATOM 478 C GLU A 30 3.859 8.777 -7.466 1.00 74.04 C ATOM 479 O GLU A 30 3.179 8.313 -6.550 1.00 31.42 O ATOM 480 CB GLU A 30 6.078 7.797 -8.118 1.00 75.21 C ATOM 481 CG GLU A 30 7.600 7.881 -8.124 1.00 35.44 C ATOM 482 CD GLU A 30 8.111 9.184 -8.715 1.00 31.33 C ATOM 483 OE1 GLU A 30 7.816 9.463 -9.896 1.00 34.24 O ATOM 484 OE2 GLU A 30 8.801 9.939 -8.000 1.00 74.44 O ATOM 0 H GLU A 30 5.712 7.937 -5.489 1.00 42.22 H new ATOM 0 HA GLU A 30 5.687 9.882 -7.722 1.00 40.45 H new ATOM 0 HB2 GLU A 30 5.781 6.834 -7.703 1.00 75.21 H new ATOM 0 HB3 GLU A 30 5.721 7.824 -9.147 1.00 75.21 H new ATOM 0 HG2 GLU A 30 7.970 7.779 -7.104 1.00 35.44 H new ATOM 0 HG3 GLU A 30 8.004 7.045 -8.694 1.00 35.44 H new ATOM 491 N ASP A 31 3.325 9.167 -8.626 1.00 31.24 N ATOM 492 CA ASP A 31 1.881 9.062 -8.890 1.00 3.43 C ATOM 493 C ASP A 31 1.409 7.597 -8.886 1.00 14.22 C ATOM 494 O ASP A 31 0.244 7.304 -8.607 1.00 41.45 O ATOM 495 CB ASP A 31 1.544 9.715 -10.234 1.00 11.31 C ATOM 496 CG ASP A 31 1.932 11.182 -10.273 1.00 4.31 C ATOM 497 OD1 ASP A 31 1.167 12.019 -9.752 1.00 42.31 O ATOM 498 OD2 ASP A 31 3.002 11.505 -10.835 1.00 63.41 O ATOM 0 H ASP A 31 3.866 9.558 -9.398 1.00 31.24 H new ATOM 0 HA ASP A 31 1.358 9.585 -8.089 1.00 3.43 H new ATOM 0 HB2 ASP A 31 2.060 9.183 -11.034 1.00 11.31 H new ATOM 0 HB3 ASP A 31 0.475 9.619 -10.425 1.00 11.31 H new ATOM 503 N ASN A 32 2.325 6.683 -9.202 1.00 62.13 N ATOM 504 CA ASN A 32 2.028 5.244 -9.205 1.00 54.25 C ATOM 505 C ASN A 32 2.070 4.648 -7.789 1.00 61.12 C ATOM 506 O ASN A 32 1.599 3.538 -7.570 1.00 2.34 O ATOM 507 CB ASN A 32 3.022 4.507 -10.108 1.00 43.52 C ATOM 508 CG ASN A 32 4.460 4.791 -9.723 1.00 70.20 C ATOM 509 OD1 ASN A 32 5.075 5.723 -10.227 1.00 34.52 O ATOM 510 ND2 ASN A 32 4.999 4.014 -8.808 1.00 75.14 N ATOM 0 H ASN A 32 3.285 6.911 -9.461 1.00 62.13 H new ATOM 0 HA ASN A 32 1.016 5.117 -9.590 1.00 54.25 H new ATOM 0 HB2 ASN A 32 2.837 3.434 -10.051 1.00 43.52 H new ATOM 0 HB3 ASN A 32 2.859 4.804 -11.144 1.00 43.52 H new ATOM 0 HD21 ASN A 32 5.957 4.179 -8.498 1.00 75.14 H new ATOM 0 HD22 ASN A 32 4.459 3.246 -8.408 1.00 75.14 H new ATOM 517 N GLU A 33 2.634 5.391 -6.837 1.00 35.43 N ATOM 518 CA GLU A 33 2.779 4.917 -5.453 1.00 54.23 C ATOM 519 C GLU A 33 1.501 5.165 -4.630 1.00 71.52 C ATOM 520 O GLU A 33 0.634 5.950 -5.020 1.00 43.25 O ATOM 521 CB GLU A 33 3.979 5.602 -4.781 1.00 62.35 C ATOM 522 CG GLU A 33 5.314 5.358 -5.483 1.00 64.12 C ATOM 523 CD GLU A 33 5.790 3.912 -5.396 1.00 61.51 C ATOM 524 OE1 GLU A 33 5.395 3.097 -6.254 1.00 22.34 O ATOM 525 OE2 GLU A 33 6.569 3.598 -4.468 1.00 52.50 O ATOM 0 H GLU A 33 3.001 6.329 -6.996 1.00 35.43 H new ATOM 0 HA GLU A 33 2.950 3.841 -5.488 1.00 54.23 H new ATOM 0 HB2 GLU A 33 3.794 6.675 -4.740 1.00 62.35 H new ATOM 0 HB3 GLU A 33 4.053 5.252 -3.752 1.00 62.35 H new ATOM 0 HG2 GLU A 33 5.221 5.639 -6.532 1.00 64.12 H new ATOM 0 HG3 GLU A 33 6.071 6.009 -5.044 1.00 64.12 H new ATOM 532 N LEU A 34 1.391 4.489 -3.488 1.00 61.20 N ATOM 533 CA LEU A 34 0.200 4.586 -2.634 1.00 14.25 C ATOM 534 C LEU A 34 0.476 5.440 -1.380 1.00 73.24 C ATOM 535 O LEU A 34 1.488 5.261 -0.702 1.00 70.13 O ATOM 536 CB LEU A 34 -0.253 3.170 -2.225 1.00 42.54 C ATOM 537 CG LEU A 34 -1.774 2.944 -2.136 1.00 71.45 C ATOM 538 CD1 LEU A 34 -2.075 1.542 -1.617 1.00 45.24 C ATOM 539 CD2 LEU A 34 -2.443 3.997 -1.261 1.00 22.23 C ATOM 0 H LEU A 34 2.113 3.865 -3.128 1.00 61.20 H new ATOM 0 HA LEU A 34 -0.592 5.076 -3.200 1.00 14.25 H new ATOM 0 HB2 LEU A 34 0.158 2.458 -2.941 1.00 42.54 H new ATOM 0 HB3 LEU A 34 0.186 2.936 -1.255 1.00 42.54 H new ATOM 0 HG LEU A 34 -2.186 3.040 -3.141 1.00 71.45 H new ATOM 0 HD11 LEU A 34 -3.154 1.399 -1.560 1.00 45.24 H new ATOM 0 HD12 LEU A 34 -1.646 0.803 -2.294 1.00 45.24 H new ATOM 0 HD13 LEU A 34 -1.640 1.420 -0.625 1.00 45.24 H new ATOM 0 HD21 LEU A 34 -3.516 3.808 -1.220 1.00 22.23 H new ATOM 0 HD22 LEU A 34 -2.028 3.951 -0.254 1.00 22.23 H new ATOM 0 HD23 LEU A 34 -2.265 4.987 -1.682 1.00 22.23 H new ATOM 551 N THR A 35 -0.437 6.368 -1.080 1.00 5.23 N ATOM 552 CA THR A 35 -0.327 7.230 0.112 1.00 14.14 C ATOM 553 C THR A 35 -1.133 6.670 1.296 1.00 55.02 C ATOM 554 O THR A 35 -2.352 6.509 1.202 1.00 12.51 O ATOM 555 CB THR A 35 -0.832 8.668 -0.182 1.00 43.13 C ATOM 556 OG1 THR A 35 -0.037 9.271 -1.212 1.00 20.24 O ATOM 557 CG2 THR A 35 -0.788 9.542 1.072 1.00 65.41 C ATOM 0 H THR A 35 -1.267 6.546 -1.646 1.00 5.23 H new ATOM 0 HA THR A 35 0.731 7.255 0.373 1.00 14.14 H new ATOM 0 HB THR A 35 -1.868 8.593 -0.514 1.00 43.13 H new ATOM 0 HG1 THR A 35 -0.365 10.177 -1.391 1.00 20.24 H new ATOM 0 HG21 THR A 35 -1.148 10.542 0.831 1.00 65.41 H new ATOM 0 HG22 THR A 35 -1.422 9.104 1.843 1.00 65.41 H new ATOM 0 HG23 THR A 35 0.237 9.604 1.437 1.00 65.41 H new ATOM 565 N PHE A 36 -0.448 6.361 2.403 1.00 74.01 N ATOM 566 CA PHE A 36 -1.120 5.930 3.641 1.00 14.42 C ATOM 567 C PHE A 36 -0.171 5.950 4.854 1.00 54.54 C ATOM 568 O PHE A 36 1.051 5.893 4.710 1.00 52.31 O ATOM 569 CB PHE A 36 -1.734 4.531 3.469 1.00 5.15 C ATOM 570 CG PHE A 36 -0.752 3.463 3.049 1.00 61.33 C ATOM 571 CD1 PHE A 36 -0.371 3.337 1.721 1.00 25.35 C ATOM 572 CD2 PHE A 36 -0.225 2.577 3.976 1.00 70.04 C ATOM 573 CE1 PHE A 36 0.516 2.354 1.329 1.00 51.23 C ATOM 574 CE2 PHE A 36 0.657 1.590 3.585 1.00 0.12 C ATOM 575 CZ PHE A 36 1.028 1.479 2.260 1.00 12.30 C ATOM 0 H PHE A 36 0.569 6.400 2.470 1.00 74.01 H new ATOM 0 HA PHE A 36 -1.918 6.647 3.836 1.00 14.42 H new ATOM 0 HB2 PHE A 36 -2.195 4.232 4.410 1.00 5.15 H new ATOM 0 HB3 PHE A 36 -2.530 4.586 2.727 1.00 5.15 H new ATOM 0 HD1 PHE A 36 -0.773 4.017 0.984 1.00 25.35 H new ATOM 0 HD2 PHE A 36 -0.508 2.660 5.015 1.00 70.04 H new ATOM 0 HE1 PHE A 36 0.808 2.272 0.292 1.00 51.23 H new ATOM 0 HE2 PHE A 36 1.057 0.904 4.317 1.00 0.12 H new ATOM 0 HZ PHE A 36 1.719 0.707 1.954 1.00 12.30 H new ATOM 585 N LYS A 37 -0.752 6.038 6.053 1.00 51.13 N ATOM 586 CA LYS A 37 0.024 6.045 7.303 1.00 14.34 C ATOM 587 C LYS A 37 0.032 4.658 7.984 1.00 55.42 C ATOM 588 O LYS A 37 -0.502 3.682 7.455 1.00 13.32 O ATOM 589 CB LYS A 37 -0.544 7.101 8.269 1.00 61.54 C ATOM 590 CG LYS A 37 -0.372 8.547 7.796 1.00 53.43 C ATOM 591 CD LYS A 37 1.102 8.948 7.710 1.00 32.34 C ATOM 592 CE LYS A 37 1.276 10.427 7.376 1.00 71.21 C ATOM 593 NZ LYS A 37 2.711 10.811 7.258 1.00 5.11 N ATOM 0 H LYS A 37 -1.761 6.106 6.188 1.00 51.13 H new ATOM 0 HA LYS A 37 1.054 6.295 7.050 1.00 14.34 H new ATOM 0 HB2 LYS A 37 -1.605 6.905 8.420 1.00 61.54 H new ATOM 0 HB3 LYS A 37 -0.058 6.988 9.238 1.00 61.54 H new ATOM 0 HG2 LYS A 37 -0.838 8.667 6.818 1.00 53.43 H new ATOM 0 HG3 LYS A 37 -0.891 9.217 8.481 1.00 53.43 H new ATOM 0 HD2 LYS A 37 1.592 8.731 8.659 1.00 32.34 H new ATOM 0 HD3 LYS A 37 1.598 8.344 6.950 1.00 32.34 H new ATOM 0 HE2 LYS A 37 0.764 10.649 6.440 1.00 71.21 H new ATOM 0 HE3 LYS A 37 0.802 11.031 8.150 1.00 71.21 H new ATOM 0 HZ1 LYS A 37 2.783 11.766 6.852 1.00 5.11 H new ATOM 0 HZ2 LYS A 37 3.151 10.802 8.200 1.00 5.11 H new ATOM 0 HZ3 LYS A 37 3.202 10.134 6.640 1.00 5.11 H new ATOM 607 N ALA A 38 0.648 4.583 9.165 1.00 45.44 N ATOM 608 CA ALA A 38 0.749 3.325 9.913 1.00 64.30 C ATOM 609 C ALA A 38 -0.592 2.930 10.554 1.00 74.41 C ATOM 610 O ALA A 38 -1.322 3.775 11.072 1.00 64.23 O ATOM 611 CB ALA A 38 1.834 3.443 10.978 1.00 32.34 C ATOM 0 H ALA A 38 1.086 5.380 9.627 1.00 45.44 H new ATOM 0 HA ALA A 38 1.016 2.537 9.209 1.00 64.30 H new ATOM 0 HB1 ALA A 38 1.905 2.506 11.531 1.00 32.34 H new ATOM 0 HB2 ALA A 38 2.791 3.656 10.501 1.00 32.34 H new ATOM 0 HB3 ALA A 38 1.583 4.251 11.665 1.00 32.34 H new ATOM 617 N GLY A 39 -0.912 1.639 10.506 1.00 62.34 N ATOM 618 CA GLY A 39 -2.149 1.133 11.105 1.00 12.32 C ATOM 619 C GLY A 39 -3.316 1.041 10.122 1.00 32.35 C ATOM 620 O GLY A 39 -4.360 0.470 10.446 1.00 34.44 O ATOM 0 H GLY A 39 -0.336 0.925 10.061 1.00 62.34 H new ATOM 0 HA2 GLY A 39 -1.961 0.145 11.525 1.00 12.32 H new ATOM 0 HA3 GLY A 39 -2.433 1.783 11.933 1.00 12.32 H new ATOM 624 N GLU A 40 -3.141 1.594 8.922 1.00 4.03 N ATOM 625 CA GLU A 40 -4.211 1.631 7.916 1.00 74.12 C ATOM 626 C GLU A 40 -4.483 0.250 7.297 1.00 53.12 C ATOM 627 O GLU A 40 -3.608 -0.619 7.268 1.00 24.52 O ATOM 628 CB GLU A 40 -3.854 2.631 6.804 1.00 62.14 C ATOM 629 CG GLU A 40 -3.611 4.052 7.301 1.00 65.20 C ATOM 630 CD GLU A 40 -4.832 4.667 7.969 1.00 23.32 C ATOM 631 OE1 GLU A 40 -5.698 5.211 7.253 1.00 62.15 O ATOM 632 OE2 GLU A 40 -4.930 4.612 9.212 1.00 53.40 O ATOM 0 H GLU A 40 -2.267 2.024 8.619 1.00 4.03 H new ATOM 0 HA GLU A 40 -5.120 1.948 8.428 1.00 74.12 H new ATOM 0 HB2 GLU A 40 -2.961 2.280 6.287 1.00 62.14 H new ATOM 0 HB3 GLU A 40 -4.661 2.647 6.071 1.00 62.14 H new ATOM 0 HG2 GLU A 40 -2.781 4.046 8.008 1.00 65.20 H new ATOM 0 HG3 GLU A 40 -3.310 4.678 6.461 1.00 65.20 H new ATOM 639 N ILE A 41 -5.705 0.062 6.801 1.00 33.01 N ATOM 640 CA ILE A 41 -6.094 -1.178 6.118 1.00 15.22 C ATOM 641 C ILE A 41 -6.094 -0.986 4.590 1.00 45.14 C ATOM 642 O ILE A 41 -6.995 -0.360 4.028 1.00 13.12 O ATOM 643 CB ILE A 41 -7.498 -1.664 6.572 1.00 55.31 C ATOM 644 CG1 ILE A 41 -7.518 -1.937 8.090 1.00 0.34 C ATOM 645 CG2 ILE A 41 -7.920 -2.912 5.789 1.00 44.23 C ATOM 646 CD1 ILE A 41 -6.567 -3.031 8.532 1.00 41.14 C ATOM 0 H ILE A 41 -6.450 0.756 6.859 1.00 33.01 H new ATOM 0 HA ILE A 41 -5.358 -1.935 6.389 1.00 15.22 H new ATOM 0 HB ILE A 41 -8.216 -0.872 6.361 1.00 55.31 H new ATOM 0 HG12 ILE A 41 -7.267 -1.017 8.618 1.00 0.34 H new ATOM 0 HG13 ILE A 41 -8.531 -2.209 8.387 1.00 0.34 H new ATOM 0 HG21 ILE A 41 -8.906 -3.235 6.123 1.00 44.23 H new ATOM 0 HG22 ILE A 41 -7.956 -2.679 4.725 1.00 44.23 H new ATOM 0 HG23 ILE A 41 -7.199 -3.711 5.961 1.00 44.23 H new ATOM 0 HD11 ILE A 41 -6.640 -3.163 9.612 1.00 41.14 H new ATOM 0 HD12 ILE A 41 -6.830 -3.964 8.034 1.00 41.14 H new ATOM 0 HD13 ILE A 41 -5.546 -2.754 8.269 1.00 41.14 H new ATOM 658 N ILE A 42 -5.074 -1.516 3.923 1.00 63.22 N ATOM 659 CA ILE A 42 -4.933 -1.374 2.471 1.00 52.51 C ATOM 660 C ILE A 42 -5.474 -2.612 1.736 1.00 62.35 C ATOM 661 O ILE A 42 -4.948 -3.712 1.888 1.00 65.14 O ATOM 662 CB ILE A 42 -3.448 -1.164 2.052 1.00 1.21 C ATOM 663 CG1 ILE A 42 -2.825 0.056 2.763 1.00 61.20 C ATOM 664 CG2 ILE A 42 -3.338 -1.015 0.533 1.00 25.45 C ATOM 665 CD1 ILE A 42 -2.495 -0.175 4.226 1.00 40.43 C ATOM 0 H ILE A 42 -4.327 -2.052 4.365 1.00 63.22 H new ATOM 0 HA ILE A 42 -5.513 -0.494 2.192 1.00 52.51 H new ATOM 0 HB ILE A 42 -2.888 -2.047 2.360 1.00 1.21 H new ATOM 0 HG12 ILE A 42 -1.914 0.342 2.238 1.00 61.20 H new ATOM 0 HG13 ILE A 42 -3.514 0.897 2.686 1.00 61.20 H new ATOM 0 HG21 ILE A 42 -2.294 -0.869 0.256 1.00 25.45 H new ATOM 0 HG22 ILE A 42 -3.719 -1.915 0.051 1.00 25.45 H new ATOM 0 HG23 ILE A 42 -3.923 -0.154 0.209 1.00 25.45 H new ATOM 0 HD11 ILE A 42 -2.062 0.731 4.649 1.00 40.43 H new ATOM 0 HD12 ILE A 42 -3.406 -0.429 4.769 1.00 40.43 H new ATOM 0 HD13 ILE A 42 -1.780 -0.993 4.313 1.00 40.43 H new ATOM 677 N THR A 43 -6.525 -2.436 0.944 1.00 75.10 N ATOM 678 CA THR A 43 -7.043 -3.533 0.119 1.00 0.30 C ATOM 679 C THR A 43 -6.196 -3.688 -1.151 1.00 14.41 C ATOM 680 O THR A 43 -6.263 -2.850 -2.053 1.00 2.55 O ATOM 681 CB THR A 43 -8.522 -3.299 -0.284 1.00 34.31 C ATOM 682 OG1 THR A 43 -9.338 -3.127 0.887 1.00 72.23 O ATOM 683 CG2 THR A 43 -9.062 -4.465 -1.108 1.00 53.40 C ATOM 0 H THR A 43 -7.034 -1.557 0.852 1.00 75.10 H new ATOM 0 HA THR A 43 -6.988 -4.442 0.718 1.00 0.30 H new ATOM 0 HB THR A 43 -8.559 -2.395 -0.892 1.00 34.31 H new ATOM 0 HG1 THR A 43 -10.269 -2.978 0.618 1.00 72.23 H new ATOM 0 HG21 THR A 43 -10.101 -4.271 -1.375 1.00 53.40 H new ATOM 0 HG22 THR A 43 -8.468 -4.575 -2.015 1.00 53.40 H new ATOM 0 HG23 THR A 43 -9.003 -5.382 -0.522 1.00 53.40 H new ATOM 691 N VAL A 44 -5.394 -4.751 -1.220 1.00 63.11 N ATOM 692 CA VAL A 44 -4.541 -4.992 -2.389 1.00 54.43 C ATOM 693 C VAL A 44 -5.300 -5.781 -3.470 1.00 5.32 C ATOM 694 O VAL A 44 -5.605 -6.966 -3.315 1.00 3.31 O ATOM 695 CB VAL A 44 -3.205 -5.693 -2.005 1.00 51.41 C ATOM 696 CG1 VAL A 44 -3.443 -6.951 -1.185 1.00 33.54 C ATOM 697 CG2 VAL A 44 -2.372 -6.006 -3.247 1.00 64.13 C ATOM 0 H VAL A 44 -5.316 -5.456 -0.487 1.00 63.11 H new ATOM 0 HA VAL A 44 -4.277 -4.019 -2.804 1.00 54.43 H new ATOM 0 HB VAL A 44 -2.643 -4.997 -1.383 1.00 51.41 H new ATOM 0 HG11 VAL A 44 -2.486 -7.410 -0.937 1.00 33.54 H new ATOM 0 HG12 VAL A 44 -3.970 -6.692 -0.266 1.00 33.54 H new ATOM 0 HG13 VAL A 44 -4.044 -7.653 -1.762 1.00 33.54 H new ATOM 0 HG21 VAL A 44 -1.445 -6.495 -2.949 1.00 64.13 H new ATOM 0 HG22 VAL A 44 -2.935 -6.667 -3.906 1.00 64.13 H new ATOM 0 HG23 VAL A 44 -2.141 -5.080 -3.773 1.00 64.13 H new ATOM 707 N LEU A 45 -5.609 -5.093 -4.569 1.00 4.53 N ATOM 708 CA LEU A 45 -6.492 -5.626 -5.614 1.00 13.21 C ATOM 709 C LEU A 45 -5.774 -6.602 -6.557 1.00 45.15 C ATOM 710 O LEU A 45 -6.414 -7.440 -7.199 1.00 71.20 O ATOM 711 CB LEU A 45 -7.089 -4.468 -6.424 1.00 0.32 C ATOM 712 CG LEU A 45 -7.888 -3.440 -5.604 1.00 53.23 C ATOM 713 CD1 LEU A 45 -8.396 -2.309 -6.495 1.00 73.04 C ATOM 714 CD2 LEU A 45 -9.047 -4.117 -4.870 1.00 63.34 C ATOM 0 H LEU A 45 -5.258 -4.155 -4.762 1.00 4.53 H new ATOM 0 HA LEU A 45 -7.282 -6.186 -5.114 1.00 13.21 H new ATOM 0 HB2 LEU A 45 -6.279 -3.949 -6.938 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -7.741 -4.882 -7.193 1.00 0.32 H new ATOM 0 HG LEU A 45 -7.220 -3.007 -4.859 1.00 53.23 H new ATOM 0 HD11 LEU A 45 -8.958 -1.595 -5.892 1.00 73.04 H new ATOM 0 HD12 LEU A 45 -7.549 -1.804 -6.960 1.00 73.04 H new ATOM 0 HD13 LEU A 45 -9.044 -2.719 -7.269 1.00 73.04 H new ATOM 0 HD21 LEU A 45 -9.599 -3.372 -4.296 1.00 63.34 H new ATOM 0 HD22 LEU A 45 -9.714 -4.584 -5.595 1.00 63.34 H new ATOM 0 HD23 LEU A 45 -8.655 -4.878 -4.195 1.00 63.34 H new ATOM 726 N ASP A 46 -4.455 -6.482 -6.653 1.00 12.12 N ATOM 727 CA ASP A 46 -3.673 -7.346 -7.538 1.00 20.22 C ATOM 728 C ASP A 46 -2.196 -7.391 -7.111 1.00 3.01 C ATOM 729 O ASP A 46 -1.487 -6.381 -7.172 1.00 2.23 O ATOM 730 CB ASP A 46 -3.792 -6.854 -8.989 1.00 54.32 C ATOM 731 CG ASP A 46 -3.229 -7.850 -9.991 1.00 1.11 C ATOM 732 OD1 ASP A 46 -3.980 -8.748 -10.423 1.00 52.35 O ATOM 733 OD2 ASP A 46 -2.036 -7.746 -10.346 1.00 62.14 O ATOM 0 H ASP A 46 -3.904 -5.799 -6.133 1.00 12.12 H new ATOM 0 HA ASP A 46 -4.073 -8.358 -7.467 1.00 20.22 H new ATOM 0 HB2 ASP A 46 -4.840 -6.665 -9.220 1.00 54.32 H new ATOM 0 HB3 ASP A 46 -3.267 -5.905 -9.091 1.00 54.32 H new ATOM 738 N ASP A 47 -1.743 -8.560 -6.665 1.00 3.41 N ATOM 739 CA ASP A 47 -0.335 -8.767 -6.325 1.00 73.12 C ATOM 740 C ASP A 47 0.310 -9.818 -7.254 1.00 31.21 C ATOM 741 O ASP A 47 0.338 -11.011 -6.951 1.00 42.13 O ATOM 742 CB ASP A 47 -0.197 -9.159 -4.840 1.00 40.51 C ATOM 743 CG ASP A 47 -1.004 -10.393 -4.457 1.00 34.31 C ATOM 744 OD1 ASP A 47 -2.244 -10.303 -4.383 1.00 45.51 O ATOM 745 OD2 ASP A 47 -0.393 -11.462 -4.223 1.00 51.05 O ATOM 0 H ASP A 47 -2.332 -9.382 -6.530 1.00 3.41 H new ATOM 0 HA ASP A 47 0.202 -7.831 -6.477 1.00 73.12 H new ATOM 0 HB2 ASP A 47 0.855 -9.339 -4.617 1.00 40.51 H new ATOM 0 HB3 ASP A 47 -0.515 -8.320 -4.221 1.00 40.51 H new ATOM 750 N SER A 48 0.802 -9.365 -8.410 1.00 45.03 N ATOM 751 CA SER A 48 1.459 -10.259 -9.378 1.00 12.12 C ATOM 752 C SER A 48 2.810 -10.738 -8.847 1.00 3.13 C ATOM 753 O SER A 48 3.134 -11.925 -8.904 1.00 31.50 O ATOM 754 CB SER A 48 1.664 -9.550 -10.728 1.00 31.54 C ATOM 755 OG SER A 48 2.550 -8.442 -10.605 1.00 33.24 O ATOM 0 H SER A 48 0.760 -8.388 -8.701 1.00 45.03 H new ATOM 0 HA SER A 48 0.807 -11.121 -9.523 1.00 12.12 H new ATOM 0 HB2 SER A 48 2.063 -10.257 -11.455 1.00 31.54 H new ATOM 0 HB3 SER A 48 0.702 -9.208 -11.110 1.00 31.54 H new ATOM 0 HG SER A 48 3.473 -8.746 -10.730 1.00 33.24 H new ATOM 761 N ASP A 49 3.595 -9.800 -8.328 1.00 75.42 N ATOM 762 CA ASP A 49 4.919 -10.100 -7.782 1.00 53.40 C ATOM 763 C ASP A 49 5.067 -9.527 -6.363 1.00 20.51 C ATOM 764 O ASP A 49 4.569 -8.437 -6.079 1.00 4.33 O ATOM 765 CB ASP A 49 5.998 -9.505 -8.694 1.00 11.30 C ATOM 766 CG ASP A 49 5.869 -9.986 -10.128 1.00 45.35 C ATOM 767 OD1 ASP A 49 6.314 -11.114 -10.424 1.00 43.41 O ATOM 768 OD2 ASP A 49 5.322 -9.239 -10.965 1.00 4.01 O ATOM 0 H ASP A 49 3.336 -8.815 -8.273 1.00 75.42 H new ATOM 0 HA ASP A 49 5.036 -11.182 -7.731 1.00 53.40 H new ATOM 0 HB2 ASP A 49 5.931 -8.417 -8.670 1.00 11.30 H new ATOM 0 HB3 ASP A 49 6.983 -9.772 -8.311 1.00 11.30 H new ATOM 773 N PRO A 50 5.787 -10.222 -5.460 1.00 34.41 N ATOM 774 CA PRO A 50 5.997 -9.740 -4.080 1.00 10.23 C ATOM 775 C PRO A 50 6.848 -8.457 -4.024 1.00 35.51 C ATOM 776 O PRO A 50 7.125 -7.925 -2.950 1.00 63.33 O ATOM 777 CB PRO A 50 6.725 -10.912 -3.403 1.00 13.24 C ATOM 778 CG PRO A 50 7.377 -11.656 -4.521 1.00 52.43 C ATOM 779 CD PRO A 50 6.456 -11.516 -5.703 1.00 72.44 C ATOM 0 HA PRO A 50 5.060 -9.468 -3.595 1.00 10.23 H new ATOM 0 HB2 PRO A 50 7.462 -10.556 -2.682 1.00 13.24 H new ATOM 0 HB3 PRO A 50 6.028 -11.549 -2.858 1.00 13.24 H new ATOM 0 HG2 PRO A 50 8.362 -11.244 -4.742 1.00 52.43 H new ATOM 0 HG3 PRO A 50 7.521 -12.705 -4.260 1.00 52.43 H new ATOM 0 HD2 PRO A 50 7.006 -11.514 -6.644 1.00 72.44 H new ATOM 0 HD3 PRO A 50 5.740 -12.336 -5.754 1.00 72.44 H new ATOM 787 N ASN A 51 7.275 -7.981 -5.190 1.00 62.31 N ATOM 788 CA ASN A 51 8.055 -6.747 -5.297 1.00 35.53 C ATOM 789 C ASN A 51 7.154 -5.524 -5.552 1.00 35.45 C ATOM 790 O ASN A 51 7.493 -4.409 -5.162 1.00 74.13 O ATOM 791 CB ASN A 51 9.085 -6.883 -6.420 1.00 43.42 C ATOM 792 CG ASN A 51 10.033 -8.044 -6.187 1.00 60.55 C ATOM 793 OD1 ASN A 51 9.754 -9.177 -6.565 1.00 73.22 O ATOM 794 ND2 ASN A 51 11.164 -7.773 -5.567 1.00 10.04 N ATOM 0 H ASN A 51 7.092 -8.436 -6.085 1.00 62.31 H new ATOM 0 HA ASN A 51 8.566 -6.589 -4.347 1.00 35.53 H new ATOM 0 HB2 ASN A 51 8.569 -7.022 -7.370 1.00 43.42 H new ATOM 0 HB3 ASN A 51 9.657 -5.959 -6.500 1.00 43.42 H new ATOM 0 HD21 ASN A 51 11.839 -8.517 -5.388 1.00 10.04 H new ATOM 0 HD22 ASN A 51 11.365 -6.819 -5.266 1.00 10.04 H new ATOM 801 N TRP A 52 6.005 -5.741 -6.200 1.00 51.51 N ATOM 802 CA TRP A 52 5.089 -4.643 -6.554 1.00 10.41 C ATOM 803 C TRP A 52 3.619 -5.023 -6.295 1.00 22.25 C ATOM 804 O TRP A 52 3.037 -5.832 -7.019 1.00 44.53 O ATOM 805 CB TRP A 52 5.270 -4.240 -8.030 1.00 1.45 C ATOM 806 CG TRP A 52 6.617 -3.649 -8.338 1.00 61.41 C ATOM 807 CD1 TRP A 52 7.732 -4.319 -8.754 1.00 11.53 C ATOM 808 CD2 TRP A 52 6.991 -2.267 -8.256 1.00 73.23 C ATOM 809 NE1 TRP A 52 8.772 -3.439 -8.937 1.00 14.22 N ATOM 810 CE2 TRP A 52 8.343 -2.174 -8.634 1.00 71.32 C ATOM 811 CE3 TRP A 52 6.311 -1.101 -7.897 1.00 60.52 C ATOM 812 CZ2 TRP A 52 9.026 -0.961 -8.665 1.00 14.42 C ATOM 813 CZ3 TRP A 52 6.991 0.103 -7.929 1.00 42.32 C ATOM 814 CH2 TRP A 52 8.336 0.165 -8.309 1.00 51.12 C ATOM 0 H TRP A 52 5.684 -6.664 -6.491 1.00 51.51 H new ATOM 0 HA TRP A 52 5.339 -3.795 -5.916 1.00 10.41 H new ATOM 0 HB2 TRP A 52 5.117 -5.118 -8.658 1.00 1.45 H new ATOM 0 HB3 TRP A 52 4.498 -3.519 -8.297 1.00 1.45 H new ATOM 0 HD1 TRP A 52 7.788 -5.385 -8.916 1.00 11.53 H new ATOM 0 HE1 TRP A 52 9.711 -3.688 -9.248 1.00 14.22 H new ATOM 0 HE3 TRP A 52 5.273 -1.139 -7.600 1.00 60.52 H new ATOM 0 HZ2 TRP A 52 10.064 -0.911 -8.960 1.00 14.42 H new ATOM 0 HZ3 TRP A 52 6.475 1.011 -7.656 1.00 42.32 H new ATOM 0 HH2 TRP A 52 8.839 1.121 -8.321 1.00 51.12 H new ATOM 825 N TRP A 53 3.027 -4.433 -5.256 1.00 33.25 N ATOM 826 CA TRP A 53 1.618 -4.677 -4.904 1.00 33.25 C ATOM 827 C TRP A 53 0.740 -3.443 -5.175 1.00 41.43 C ATOM 828 O TRP A 53 1.102 -2.323 -4.808 1.00 13.52 O ATOM 829 CB TRP A 53 1.503 -5.074 -3.422 1.00 11.04 C ATOM 830 CG TRP A 53 1.948 -6.480 -3.124 1.00 11.33 C ATOM 831 CD1 TRP A 53 2.607 -7.336 -3.961 1.00 13.20 C ATOM 832 CD2 TRP A 53 1.755 -7.191 -1.897 1.00 24.23 C ATOM 833 NE1 TRP A 53 2.823 -8.536 -3.332 1.00 20.42 N ATOM 834 CE2 TRP A 53 2.312 -8.473 -2.064 1.00 14.13 C ATOM 835 CE3 TRP A 53 1.161 -6.867 -0.677 1.00 51.11 C ATOM 836 CZ2 TRP A 53 2.293 -9.428 -1.049 1.00 13.34 C ATOM 837 CZ3 TRP A 53 1.143 -7.813 0.328 1.00 43.22 C ATOM 838 CH2 TRP A 53 1.704 -9.081 0.137 1.00 34.42 C ATOM 0 H TRP A 53 3.502 -3.777 -4.636 1.00 33.25 H new ATOM 0 HA TRP A 53 1.260 -5.492 -5.533 1.00 33.25 H new ATOM 0 HB2 TRP A 53 2.098 -4.382 -2.825 1.00 11.04 H new ATOM 0 HB3 TRP A 53 0.466 -4.958 -3.106 1.00 11.04 H new ATOM 0 HD1 TRP A 53 2.913 -7.102 -4.970 1.00 13.20 H new ATOM 0 HE1 TRP A 53 3.289 -9.345 -3.743 1.00 20.42 H new ATOM 0 HE3 TRP A 53 0.723 -5.892 -0.521 1.00 51.11 H new ATOM 0 HZ2 TRP A 53 2.727 -10.406 -1.193 1.00 13.34 H new ATOM 0 HZ3 TRP A 53 0.689 -7.571 1.277 1.00 43.22 H new ATOM 0 HH2 TRP A 53 1.672 -9.800 0.942 1.00 34.42 H new ATOM 849 N LYS A 54 -0.416 -3.660 -5.810 1.00 31.14 N ATOM 850 CA LYS A 54 -1.374 -2.577 -6.090 1.00 0.25 C ATOM 851 C LYS A 54 -2.536 -2.596 -5.081 1.00 71.11 C ATOM 852 O LYS A 54 -3.333 -3.537 -5.057 1.00 51.41 O ATOM 853 CB LYS A 54 -1.928 -2.709 -7.519 1.00 72.13 C ATOM 854 CG LYS A 54 -2.929 -1.618 -7.894 1.00 62.32 C ATOM 855 CD LYS A 54 -3.515 -1.837 -9.286 1.00 43.33 C ATOM 856 CE LYS A 54 -4.500 -0.736 -9.670 1.00 53.02 C ATOM 857 NZ LYS A 54 -3.833 0.583 -9.855 1.00 4.13 N ATOM 0 H LYS A 54 -0.715 -4.577 -6.142 1.00 31.14 H new ATOM 0 HA LYS A 54 -0.845 -1.629 -5.995 1.00 0.25 H new ATOM 0 HB2 LYS A 54 -1.097 -2.685 -8.225 1.00 72.13 H new ATOM 0 HB3 LYS A 54 -2.408 -3.682 -7.624 1.00 72.13 H new ATOM 0 HG2 LYS A 54 -3.735 -1.597 -7.160 1.00 62.32 H new ATOM 0 HG3 LYS A 54 -2.438 -0.646 -7.856 1.00 62.32 H new ATOM 0 HD2 LYS A 54 -2.708 -1.873 -10.018 1.00 43.33 H new ATOM 0 HD3 LYS A 54 -4.019 -2.803 -9.320 1.00 43.33 H new ATOM 0 HE2 LYS A 54 -5.011 -1.014 -10.592 1.00 53.02 H new ATOM 0 HE3 LYS A 54 -5.263 -0.649 -8.897 1.00 53.02 H new ATOM 0 HZ1 LYS A 54 -4.519 1.270 -10.229 1.00 4.13 H new ATOM 0 HZ2 LYS A 54 -3.469 0.919 -8.941 1.00 4.13 H new ATOM 0 HZ3 LYS A 54 -3.044 0.482 -10.525 1.00 4.13 H new ATOM 871 N GLY A 55 -2.644 -1.545 -4.270 1.00 51.11 N ATOM 872 CA GLY A 55 -3.665 -1.506 -3.225 1.00 14.02 C ATOM 873 C GLY A 55 -4.526 -0.247 -3.237 1.00 61.44 C ATOM 874 O GLY A 55 -4.278 0.688 -4.003 1.00 63.31 O ATOM 0 H GLY A 55 -2.046 -0.720 -4.315 1.00 51.11 H new ATOM 0 HA2 GLY A 55 -4.312 -2.376 -3.333 1.00 14.02 H new ATOM 0 HA3 GLY A 55 -3.178 -1.590 -2.254 1.00 14.02 H new ATOM 878 N GLU A 56 -5.537 -0.225 -2.367 1.00 13.03 N ATOM 879 CA GLU A 56 -6.484 0.893 -2.285 1.00 14.42 C ATOM 880 C GLU A 56 -6.548 1.501 -0.870 1.00 73.20 C ATOM 881 O GLU A 56 -6.686 0.784 0.127 1.00 4.24 O ATOM 882 CB GLU A 56 -7.895 0.418 -2.676 1.00 70.20 C ATOM 883 CG GLU A 56 -8.961 1.509 -2.568 1.00 33.44 C ATOM 884 CD GLU A 56 -10.362 0.952 -2.385 1.00 62.13 C ATOM 885 OE1 GLU A 56 -11.037 0.664 -3.397 1.00 62.43 O ATOM 886 OE2 GLU A 56 -10.796 0.798 -1.222 1.00 25.33 O ATOM 0 H GLU A 56 -5.724 -0.976 -1.702 1.00 13.03 H new ATOM 0 HA GLU A 56 -6.129 1.659 -2.974 1.00 14.42 H new ATOM 0 HB2 GLU A 56 -7.873 0.044 -3.700 1.00 70.20 H new ATOM 0 HB3 GLU A 56 -8.178 -0.419 -2.037 1.00 70.20 H new ATOM 0 HG2 GLU A 56 -8.722 2.161 -1.728 1.00 33.44 H new ATOM 0 HG3 GLU A 56 -8.935 2.125 -3.467 1.00 33.44 H new ATOM 893 N THR A 57 -6.443 2.825 -0.793 1.00 61.22 N ATOM 894 CA THR A 57 -6.772 3.572 0.430 1.00 34.20 C ATOM 895 C THR A 57 -7.675 4.757 0.082 1.00 30.00 C ATOM 896 O THR A 57 -7.813 5.115 -1.090 1.00 41.30 O ATOM 897 CB THR A 57 -5.519 4.115 1.167 1.00 44.44 C ATOM 898 OG1 THR A 57 -4.891 5.148 0.392 1.00 5.53 O ATOM 899 CG2 THR A 57 -4.518 2.999 1.450 1.00 51.24 C ATOM 0 H THR A 57 -6.131 3.412 -1.567 1.00 61.22 H new ATOM 0 HA THR A 57 -7.274 2.870 1.095 1.00 34.20 H new ATOM 0 HB THR A 57 -5.848 4.531 2.119 1.00 44.44 H new ATOM 0 HG1 THR A 57 -5.036 4.975 -0.562 1.00 5.53 H new ATOM 0 HG21 THR A 57 -3.651 3.410 1.967 1.00 51.24 H new ATOM 0 HG22 THR A 57 -4.987 2.240 2.076 1.00 51.24 H new ATOM 0 HG23 THR A 57 -4.200 2.549 0.510 1.00 51.24 H new ATOM 907 N HIS A 58 -8.304 5.368 1.078 1.00 2.35 N ATOM 908 CA HIS A 58 -9.121 6.561 0.831 1.00 11.41 C ATOM 909 C HIS A 58 -8.240 7.796 0.591 1.00 45.45 C ATOM 910 O HIS A 58 -8.730 8.872 0.245 1.00 12.42 O ATOM 911 CB HIS A 58 -10.097 6.800 1.986 1.00 42.44 C ATOM 912 CG HIS A 58 -11.129 5.719 2.112 1.00 1.02 C ATOM 913 ND1 HIS A 58 -12.005 5.401 1.097 1.00 44.41 N ATOM 914 CD2 HIS A 58 -11.409 4.864 3.124 1.00 72.01 C ATOM 915 CE1 HIS A 58 -12.776 4.404 1.476 1.00 63.25 C ATOM 916 NE2 HIS A 58 -12.437 4.058 2.699 1.00 43.53 N ATOM 0 H HIS A 58 -8.269 5.067 2.052 1.00 2.35 H new ATOM 0 HA HIS A 58 -9.703 6.388 -0.074 1.00 11.41 H new ATOM 0 HB2 HIS A 58 -9.538 6.872 2.919 1.00 42.44 H new ATOM 0 HB3 HIS A 58 -10.597 7.757 1.840 1.00 42.44 H new ATOM 0 HD2 HIS A 58 -10.917 4.823 4.084 1.00 72.01 H new ATOM 0 HE1 HIS A 58 -13.555 3.947 0.883 1.00 63.25 H new ATOM 0 HE2 HIS A 58 -12.868 3.311 3.244 1.00 43.53 H new ATOM 925 N GLN A 59 -6.934 7.626 0.775 1.00 53.30 N ATOM 926 CA GLN A 59 -5.953 8.665 0.444 1.00 34.23 C ATOM 927 C GLN A 59 -5.524 8.556 -1.032 1.00 34.11 C ATOM 928 O GLN A 59 -5.115 9.543 -1.651 1.00 43.14 O ATOM 929 CB GLN A 59 -4.722 8.556 1.362 1.00 70.33 C ATOM 930 CG GLN A 59 -5.003 8.845 2.840 1.00 52.44 C ATOM 931 CD GLN A 59 -5.935 7.834 3.493 1.00 61.02 C ATOM 932 OE1 GLN A 59 -5.966 6.662 3.129 1.00 52.55 O ATOM 933 NE2 GLN A 59 -6.713 8.284 4.456 1.00 45.24 N ATOM 0 H GLN A 59 -6.524 6.773 1.155 1.00 53.30 H new ATOM 0 HA GLN A 59 -6.421 9.637 0.599 1.00 34.23 H new ATOM 0 HB2 GLN A 59 -4.307 7.552 1.274 1.00 70.33 H new ATOM 0 HB3 GLN A 59 -3.958 9.249 1.008 1.00 70.33 H new ATOM 0 HG2 GLN A 59 -4.059 8.860 3.384 1.00 52.44 H new ATOM 0 HG3 GLN A 59 -5.439 9.840 2.930 1.00 52.44 H new ATOM 0 HE21 GLN A 59 -6.664 9.264 4.736 1.00 45.24 H new ATOM 0 HE22 GLN A 59 -7.365 7.653 4.922 1.00 45.24 H new ATOM 942 N GLY A 60 -5.616 7.343 -1.585 1.00 1.32 N ATOM 943 CA GLY A 60 -5.301 7.120 -2.992 1.00 22.23 C ATOM 944 C GLY A 60 -5.163 5.641 -3.355 1.00 63.01 C ATOM 945 O GLY A 60 -5.129 4.777 -2.484 1.00 54.43 O ATOM 0 H GLY A 60 -5.905 6.506 -1.079 1.00 1.32 H new ATOM 0 HA2 GLY A 60 -6.082 7.566 -3.607 1.00 22.23 H new ATOM 0 HA3 GLY A 60 -4.371 7.635 -3.235 1.00 22.23 H new ATOM 949 N ILE A 61 -5.109 5.350 -4.653 1.00 41.43 N ATOM 950 CA ILE A 61 -4.886 3.980 -5.143 1.00 10.13 C ATOM 951 C ILE A 61 -3.544 3.899 -5.888 1.00 33.03 C ATOM 952 O ILE A 61 -3.279 4.709 -6.778 1.00 42.33 O ATOM 953 CB ILE A 61 -6.027 3.500 -6.093 1.00 31.51 C ATOM 954 CG1 ILE A 61 -7.373 3.379 -5.346 1.00 74.43 C ATOM 955 CG2 ILE A 61 -5.664 2.161 -6.743 1.00 74.33 C ATOM 956 CD1 ILE A 61 -8.021 4.702 -4.987 1.00 63.42 C ATOM 0 H ILE A 61 -5.217 6.044 -5.392 1.00 41.43 H new ATOM 0 HA ILE A 61 -4.875 3.326 -4.271 1.00 10.13 H new ATOM 0 HB ILE A 61 -6.140 4.253 -6.873 1.00 31.51 H new ATOM 0 HG12 ILE A 61 -8.065 2.807 -5.964 1.00 74.43 H new ATOM 0 HG13 ILE A 61 -7.215 2.808 -4.431 1.00 74.43 H new ATOM 0 HG21 ILE A 61 -6.473 1.845 -7.401 1.00 74.33 H new ATOM 0 HG22 ILE A 61 -4.748 2.274 -7.323 1.00 74.33 H new ATOM 0 HG23 ILE A 61 -5.512 1.410 -5.968 1.00 74.33 H new ATOM 0 HD11 ILE A 61 -8.960 4.517 -4.466 1.00 63.42 H new ATOM 0 HD12 ILE A 61 -7.353 5.271 -4.340 1.00 63.42 H new ATOM 0 HD13 ILE A 61 -8.216 5.270 -5.896 1.00 63.42 H new ATOM 968 N GLY A 62 -2.704 2.928 -5.537 1.00 51.13 N ATOM 969 CA GLY A 62 -1.389 2.830 -6.163 1.00 0.52 C ATOM 970 C GLY A 62 -0.571 1.627 -5.700 1.00 61.31 C ATOM 971 O GLY A 62 -1.119 0.612 -5.271 1.00 53.04 O ATOM 0 H GLY A 62 -2.904 2.213 -4.838 1.00 51.13 H new ATOM 0 HA2 GLY A 62 -1.515 2.776 -7.244 1.00 0.52 H new ATOM 0 HA3 GLY A 62 -0.828 3.741 -5.952 1.00 0.52 H new ATOM 975 N LEU A 63 0.748 1.754 -5.791 1.00 73.15 N ATOM 976 CA LEU A 63 1.676 0.670 -5.460 1.00 11.44 C ATOM 977 C LEU A 63 2.418 0.950 -4.144 1.00 11.05 C ATOM 978 O LEU A 63 2.649 2.103 -3.780 1.00 24.41 O ATOM 979 CB LEU A 63 2.700 0.510 -6.595 1.00 52.14 C ATOM 980 CG LEU A 63 2.108 0.248 -7.994 1.00 40.42 C ATOM 981 CD1 LEU A 63 3.196 0.318 -9.066 1.00 52.45 C ATOM 982 CD2 LEU A 63 1.398 -1.102 -8.037 1.00 74.41 C ATOM 0 H LEU A 63 1.208 2.611 -6.096 1.00 73.15 H new ATOM 0 HA LEU A 63 1.098 -0.246 -5.339 1.00 11.44 H new ATOM 0 HB2 LEU A 63 3.309 1.413 -6.641 1.00 52.14 H new ATOM 0 HB3 LEU A 63 3.369 -0.313 -6.343 1.00 52.14 H new ATOM 0 HG LEU A 63 1.374 1.027 -8.202 1.00 40.42 H new ATOM 0 HD11 LEU A 63 2.755 0.130 -10.045 1.00 52.45 H new ATOM 0 HD12 LEU A 63 3.652 1.308 -9.058 1.00 52.45 H new ATOM 0 HD13 LEU A 63 3.958 -0.434 -8.861 1.00 52.45 H new ATOM 0 HD21 LEU A 63 0.988 -1.266 -9.034 1.00 74.41 H new ATOM 0 HD22 LEU A 63 2.109 -1.894 -7.802 1.00 74.41 H new ATOM 0 HD23 LEU A 63 0.589 -1.111 -7.306 1.00 74.41 H new ATOM 994 N PHE A 64 2.783 -0.111 -3.430 1.00 61.34 N ATOM 995 CA PHE A 64 3.611 0.016 -2.221 1.00 12.40 C ATOM 996 C PHE A 64 4.693 -1.084 -2.167 1.00 70.34 C ATOM 997 O PHE A 64 4.604 -2.034 -1.391 1.00 72.43 O ATOM 998 CB PHE A 64 2.737 0.021 -0.947 1.00 15.12 C ATOM 999 CG PHE A 64 1.753 -1.124 -0.838 1.00 65.13 C ATOM 1000 CD1 PHE A 64 0.599 -1.142 -1.613 1.00 25.33 C ATOM 1001 CD2 PHE A 64 1.971 -2.172 0.048 1.00 4.03 C ATOM 1002 CE1 PHE A 64 -0.307 -2.179 -1.512 1.00 22.13 C ATOM 1003 CE2 PHE A 64 1.067 -3.210 0.153 1.00 50.42 C ATOM 1004 CZ PHE A 64 -0.072 -3.214 -0.628 1.00 73.32 C ATOM 0 H PHE A 64 2.522 -1.069 -3.662 1.00 61.34 H new ATOM 0 HA PHE A 64 4.127 0.975 -2.266 1.00 12.40 H new ATOM 0 HB2 PHE A 64 3.392 0.001 -0.076 1.00 15.12 H new ATOM 0 HB3 PHE A 64 2.184 0.960 -0.908 1.00 15.12 H new ATOM 0 HD1 PHE A 64 0.409 -0.334 -2.304 1.00 25.33 H new ATOM 0 HD2 PHE A 64 2.859 -2.175 0.662 1.00 4.03 H new ATOM 0 HE1 PHE A 64 -1.198 -2.181 -2.123 1.00 22.13 H new ATOM 0 HE2 PHE A 64 1.250 -4.018 0.845 1.00 50.42 H new ATOM 0 HZ PHE A 64 -0.779 -4.026 -0.548 1.00 73.32 H new ATOM 1014 N PRO A 65 5.751 -0.945 -2.999 1.00 31.42 N ATOM 1015 CA PRO A 65 6.807 -1.975 -3.145 1.00 21.14 C ATOM 1016 C PRO A 65 7.675 -2.160 -1.887 1.00 2.31 C ATOM 1017 O PRO A 65 8.374 -3.167 -1.744 1.00 42.20 O ATOM 1018 CB PRO A 65 7.657 -1.440 -4.308 1.00 53.01 C ATOM 1019 CG PRO A 65 7.438 0.035 -4.291 1.00 33.25 C ATOM 1020 CD PRO A 65 6.008 0.229 -3.861 1.00 54.00 C ATOM 0 HA PRO A 65 6.375 -2.961 -3.315 1.00 21.14 H new ATOM 0 HB2 PRO A 65 8.711 -1.685 -4.174 1.00 53.01 H new ATOM 0 HB3 PRO A 65 7.347 -1.875 -5.258 1.00 53.01 H new ATOM 0 HG2 PRO A 65 8.124 0.525 -3.600 1.00 33.25 H new ATOM 0 HG3 PRO A 65 7.613 0.468 -5.276 1.00 33.25 H new ATOM 0 HD2 PRO A 65 5.875 1.164 -3.317 1.00 54.00 H new ATOM 0 HD3 PRO A 65 5.331 0.257 -4.715 1.00 54.00 H new ATOM 1028 N SER A 66 7.629 -1.187 -0.980 1.00 52.22 N ATOM 1029 CA SER A 66 8.427 -1.236 0.259 1.00 25.21 C ATOM 1030 C SER A 66 7.974 -2.375 1.191 1.00 75.34 C ATOM 1031 O SER A 66 8.732 -2.822 2.049 1.00 14.13 O ATOM 1032 CB SER A 66 8.346 0.108 0.992 1.00 23.31 C ATOM 1033 OG SER A 66 8.731 1.183 0.147 1.00 31.30 O ATOM 0 H SER A 66 7.050 -0.352 -1.073 1.00 52.22 H new ATOM 0 HA SER A 66 9.461 -1.434 -0.024 1.00 25.21 H new ATOM 0 HB2 SER A 66 7.328 0.269 1.348 1.00 23.31 H new ATOM 0 HB3 SER A 66 8.991 0.085 1.870 1.00 23.31 H new ATOM 0 HG SER A 66 8.668 2.027 0.641 1.00 31.30 H new ATOM 1039 N ASN A 67 6.727 -2.830 1.018 1.00 33.50 N ATOM 1040 CA ASN A 67 6.187 -3.992 1.754 1.00 65.43 C ATOM 1041 C ASN A 67 6.293 -3.862 3.289 1.00 1.52 C ATOM 1042 O ASN A 67 6.395 -4.865 4.000 1.00 70.34 O ATOM 1043 CB ASN A 67 6.882 -5.276 1.284 1.00 51.21 C ATOM 1044 CG ASN A 67 6.626 -5.557 -0.183 1.00 2.44 C ATOM 1045 OD1 ASN A 67 5.593 -5.186 -0.723 1.00 51.33 O ATOM 1046 ND2 ASN A 67 7.552 -6.225 -0.836 1.00 2.34 N ATOM 0 H ASN A 67 6.063 -2.409 0.368 1.00 33.50 H new ATOM 0 HA ASN A 67 5.122 -4.032 1.526 1.00 65.43 H new ATOM 0 HB2 ASN A 67 7.955 -5.190 1.455 1.00 51.21 H new ATOM 0 HB3 ASN A 67 6.530 -6.118 1.881 1.00 51.21 H new ATOM 0 HD21 ASN A 67 7.420 -6.448 -1.822 1.00 2.34 H new ATOM 0 HD22 ASN A 67 8.402 -6.520 -0.356 1.00 2.34 H new ATOM 1053 N PHE A 68 6.226 -2.637 3.800 1.00 40.31 N ATOM 1054 CA PHE A 68 6.212 -2.399 5.254 1.00 23.55 C ATOM 1055 C PHE A 68 4.818 -2.688 5.857 1.00 53.53 C ATOM 1056 O PHE A 68 4.317 -1.939 6.701 1.00 50.24 O ATOM 1057 CB PHE A 68 6.649 -0.950 5.556 1.00 5.14 C ATOM 1058 CG PHE A 68 5.976 0.093 4.696 1.00 10.41 C ATOM 1059 CD1 PHE A 68 4.597 0.247 4.705 1.00 72.40 C ATOM 1060 CD2 PHE A 68 6.726 0.920 3.873 1.00 11.23 C ATOM 1061 CE1 PHE A 68 3.986 1.193 3.914 1.00 4.13 C ATOM 1062 CE2 PHE A 68 6.116 1.871 3.081 1.00 0.31 C ATOM 1063 CZ PHE A 68 4.744 2.005 3.101 1.00 73.35 C ATOM 0 H PHE A 68 6.180 -1.789 3.236 1.00 40.31 H new ATOM 0 HA PHE A 68 6.919 -3.085 5.720 1.00 23.55 H new ATOM 0 HB2 PHE A 68 6.440 -0.731 6.603 1.00 5.14 H new ATOM 0 HB3 PHE A 68 7.728 -0.873 5.423 1.00 5.14 H new ATOM 0 HD1 PHE A 68 3.995 -0.384 5.342 1.00 72.40 H new ATOM 0 HD2 PHE A 68 7.801 0.818 3.852 1.00 11.23 H new ATOM 0 HE1 PHE A 68 2.911 1.298 3.931 1.00 4.13 H new ATOM 0 HE2 PHE A 68 6.712 2.510 2.446 1.00 0.31 H new ATOM 0 HZ PHE A 68 4.264 2.746 2.479 1.00 73.35 H new ATOM 1073 N VAL A 69 4.212 -3.800 5.440 1.00 2.20 N ATOM 1074 CA VAL A 69 2.834 -4.134 5.820 1.00 60.24 C ATOM 1075 C VAL A 69 2.700 -5.600 6.271 1.00 25.31 C ATOM 1076 O VAL A 69 3.648 -6.384 6.185 1.00 50.33 O ATOM 1077 CB VAL A 69 1.853 -3.882 4.638 1.00 54.51 C ATOM 1078 CG1 VAL A 69 1.841 -2.409 4.233 1.00 41.41 C ATOM 1079 CG2 VAL A 69 2.212 -4.765 3.443 1.00 73.31 C ATOM 0 H VAL A 69 4.655 -4.491 4.835 1.00 2.20 H new ATOM 0 HA VAL A 69 2.578 -3.484 6.657 1.00 60.24 H new ATOM 0 HB VAL A 69 0.850 -4.145 4.974 1.00 54.51 H new ATOM 0 HG11 VAL A 69 1.147 -2.265 3.405 1.00 41.41 H new ATOM 0 HG12 VAL A 69 1.526 -1.801 5.081 1.00 41.41 H new ATOM 0 HG13 VAL A 69 2.842 -2.109 3.923 1.00 41.41 H new ATOM 0 HG21 VAL A 69 1.515 -4.574 2.627 1.00 73.31 H new ATOM 0 HG22 VAL A 69 3.226 -4.538 3.114 1.00 73.31 H new ATOM 0 HG23 VAL A 69 2.151 -5.814 3.734 1.00 73.31 H new ATOM 1089 N THR A 70 1.512 -5.951 6.751 1.00 31.43 N ATOM 1090 CA THR A 70 1.179 -7.329 7.145 1.00 3.30 C ATOM 1091 C THR A 70 -0.166 -7.744 6.534 1.00 4.35 C ATOM 1092 O THR A 70 -0.899 -6.902 6.026 1.00 3.52 O ATOM 1093 CB THR A 70 1.119 -7.493 8.682 1.00 51.02 C ATOM 1094 OG1 THR A 70 0.616 -8.794 9.025 1.00 70.31 O ATOM 1095 CG2 THR A 70 0.249 -6.416 9.326 1.00 44.30 C ATOM 0 H THR A 70 0.745 -5.291 6.881 1.00 31.43 H new ATOM 0 HA THR A 70 1.973 -7.974 6.768 1.00 3.30 H new ATOM 0 HB THR A 70 2.134 -7.384 9.065 1.00 51.02 H new ATOM 0 HG1 THR A 70 0.585 -8.886 10.000 1.00 70.31 H new ATOM 0 HG21 THR A 70 0.229 -6.562 10.406 1.00 44.30 H new ATOM 0 HG22 THR A 70 0.661 -5.432 9.100 1.00 44.30 H new ATOM 0 HG23 THR A 70 -0.765 -6.484 8.932 1.00 44.30 H new ATOM 1103 N ALA A 71 -0.496 -9.031 6.581 1.00 60.40 N ATOM 1104 CA ALA A 71 -1.690 -9.543 5.887 1.00 11.45 C ATOM 1105 C ALA A 71 -2.830 -9.918 6.852 1.00 53.50 C ATOM 1106 O ALA A 71 -2.704 -10.852 7.647 1.00 24.14 O ATOM 1107 CB ALA A 71 -1.315 -10.744 5.028 1.00 2.12 C ATOM 0 H ALA A 71 0.037 -9.739 7.086 1.00 60.40 H new ATOM 0 HA ALA A 71 -2.063 -8.736 5.257 1.00 11.45 H new ATOM 0 HB1 ALA A 71 -2.203 -11.118 4.518 1.00 2.12 H new ATOM 0 HB2 ALA A 71 -0.571 -10.445 4.290 1.00 2.12 H new ATOM 0 HB3 ALA A 71 -0.903 -11.530 5.661 1.00 2.12 H new