USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 675 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 180:sc= 0 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0.0442 USER MOD Set 2.1: A 27 THR OG1 : rot 151:sc= 0.952 USER MOD Set 2.2: A 31 THR OG1 : rot 48:sc= 0.734 USER MOD Set 3.1: A 19 THR OG1 : rot -170:sc= -0.698 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.699 X(o=-1.4,f=-1.8) USER MOD Single : A 21 THR OG1 : rot 121:sc= 1.12 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.0459 (180deg=-0.895) USER MOD Single : A 50 GLN : amide:sc= -1.74 X(o=-1.7,f=-2!) USER MOD Single : A 51 MET CE :methyl -135:sc= -1.07 (180deg=-2.78!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.021) USER MOD Single : A 66 THR OG1 : rot 90:sc= -0.339 USER MOD Single : A 68 ASN : amide:sc= -0.628 K(o=-0.63,f=-3.5!) USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.0506 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 77 ASN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 78 SER OG : rot 84:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 142:sc= -1.6! (180deg=-3.58!) USER MOD Single : A 80 MET CE :methyl -155:sc= -0.051 (180deg=-0.684) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 37:sc= 1.08 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.73) USER MOD Single : A 105 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-1.8!) USER MOD Single : A 107 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.670 -25.077 -23.865 1.00 11.12 N ATOM 257 CA ALA A 17 17.097 -23.936 -24.665 1.00 62.12 C ATOM 258 C ALA A 17 15.956 -22.943 -24.858 1.00 44.14 C ATOM 259 O ALA A 17 14.859 -23.316 -25.274 1.00 41.31 O ATOM 260 CB ALA A 17 17.625 -24.405 -26.013 1.00 22.21 C ATOM 0 HA ALA A 17 17.899 -23.428 -24.130 1.00 62.12 H new ATOM 0 HB1 ALA A 17 17.940 -23.543 -26.600 1.00 22.21 H new ATOM 0 HB2 ALA A 17 18.475 -25.070 -25.859 1.00 22.21 H new ATOM 0 HB3 ALA A 17 16.838 -24.939 -26.546 1.00 22.21 H new ATOM 266 N PHE A 18 16.222 -21.677 -24.553 1.00 61.14 N ATOM 267 CA PHE A 18 15.216 -20.630 -24.691 1.00 21.33 C ATOM 268 C PHE A 18 15.628 -19.616 -25.753 1.00 43.15 C ATOM 269 O PHE A 18 16.811 -19.474 -26.068 1.00 55.40 O ATOM 270 CB PHE A 18 14.999 -19.923 -23.351 1.00 44.03 C ATOM 271 CG PHE A 18 14.157 -20.709 -22.388 1.00 31.02 C ATOM 272 CD1 PHE A 18 14.731 -21.326 -21.288 1.00 63.03 C ATOM 273 CD2 PHE A 18 12.790 -20.831 -22.582 1.00 64.30 C ATOM 274 CE1 PHE A 18 13.959 -22.050 -20.399 1.00 51.25 C ATOM 275 CE2 PHE A 18 12.013 -21.553 -21.696 1.00 71.34 C ATOM 276 CZ PHE A 18 12.598 -22.164 -20.605 1.00 31.44 C ATOM 0 H PHE A 18 17.125 -21.351 -24.209 1.00 61.14 H new ATOM 0 HA PHE A 18 14.282 -21.097 -25.004 1.00 21.33 H new ATOM 0 HB2 PHE A 18 15.968 -19.723 -22.894 1.00 44.03 H new ATOM 0 HB3 PHE A 18 14.526 -18.958 -23.531 1.00 44.03 H new ATOM 0 HD1 PHE A 18 15.795 -21.240 -21.123 1.00 63.03 H new ATOM 0 HD2 PHE A 18 12.327 -20.357 -23.435 1.00 64.30 H new ATOM 0 HE1 PHE A 18 14.419 -22.525 -19.545 1.00 51.25 H new ATOM 0 HE2 PHE A 18 10.949 -21.639 -21.857 1.00 71.34 H new ATOM 0 HZ PHE A 18 11.992 -22.731 -19.913 1.00 31.44 H new ATOM 286 N THR A 19 14.644 -18.912 -26.305 1.00 23.13 N ATOM 287 CA THR A 19 14.903 -17.913 -27.333 1.00 53.53 C ATOM 288 C THR A 19 13.713 -16.974 -27.500 1.00 32.43 C ATOM 289 O THR A 19 12.560 -17.405 -27.464 1.00 70.30 O ATOM 290 CB THR A 19 15.217 -18.571 -28.690 1.00 54.21 C ATOM 291 OG1 THR A 19 14.582 -19.852 -28.772 1.00 15.42 O ATOM 292 CG2 THR A 19 16.717 -18.730 -28.880 1.00 25.31 C ATOM 0 H THR A 19 13.660 -19.016 -26.057 1.00 23.13 H new ATOM 0 HA THR A 19 15.771 -17.341 -27.005 1.00 53.53 H new ATOM 0 HB THR A 19 14.833 -17.925 -29.480 1.00 54.21 H new ATOM 0 HG1 THR A 19 14.910 -20.330 -29.562 1.00 15.42 H new ATOM 0 HG21 THR A 19 16.914 -19.197 -29.845 1.00 25.31 H new ATOM 0 HG22 THR A 19 17.194 -17.750 -28.847 1.00 25.31 H new ATOM 0 HG23 THR A 19 17.120 -19.357 -28.085 1.00 25.31 H new ATOM 300 N PHE A 20 13.999 -15.690 -27.682 1.00 41.42 N ATOM 301 CA PHE A 20 12.952 -14.690 -27.854 1.00 54.15 C ATOM 302 C PHE A 20 12.261 -14.853 -29.205 1.00 74.31 C ATOM 303 O PHE A 20 12.911 -15.080 -30.226 1.00 4.22 O ATOM 304 CB PHE A 20 13.537 -13.281 -27.736 1.00 20.24 C ATOM 305 CG PHE A 20 13.705 -12.820 -26.316 1.00 45.12 C ATOM 306 CD1 PHE A 20 12.643 -12.866 -25.428 1.00 61.10 C ATOM 307 CD2 PHE A 20 14.926 -12.339 -25.870 1.00 62.43 C ATOM 308 CE1 PHE A 20 12.795 -12.443 -24.121 1.00 53.30 C ATOM 309 CE2 PHE A 20 15.084 -11.915 -24.564 1.00 70.14 C ATOM 310 CZ PHE A 20 14.017 -11.966 -23.689 1.00 53.41 C ATOM 0 H PHE A 20 14.948 -15.317 -27.714 1.00 41.42 H new ATOM 0 HA PHE A 20 12.213 -14.836 -27.066 1.00 54.15 H new ATOM 0 HB2 PHE A 20 14.506 -13.255 -28.235 1.00 20.24 H new ATOM 0 HB3 PHE A 20 12.888 -12.581 -28.263 1.00 20.24 H new ATOM 0 HD1 PHE A 20 11.685 -13.237 -25.761 1.00 61.10 H new ATOM 0 HD2 PHE A 20 15.763 -12.295 -26.551 1.00 62.43 H new ATOM 0 HE1 PHE A 20 11.959 -12.485 -23.438 1.00 53.30 H new ATOM 0 HE2 PHE A 20 16.041 -11.544 -24.228 1.00 70.14 H new ATOM 0 HZ PHE A 20 14.138 -11.633 -22.669 1.00 53.41 H new ATOM 320 N THR A 21 10.936 -14.737 -29.204 1.00 22.45 N ATOM 321 CA THR A 21 10.155 -14.875 -30.426 1.00 44.25 C ATOM 322 C THR A 21 9.375 -13.600 -30.727 1.00 31.34 C ATOM 323 O THR A 21 9.276 -13.177 -31.879 1.00 1.15 O ATOM 324 CB THR A 21 9.171 -16.056 -30.335 1.00 24.30 C ATOM 325 OG1 THR A 21 8.589 -16.109 -29.028 1.00 24.13 O ATOM 326 CG2 THR A 21 9.875 -17.371 -30.636 1.00 30.11 C ATOM 0 H THR A 21 10.382 -14.548 -28.369 1.00 22.45 H new ATOM 0 HA THR A 21 10.863 -15.064 -31.233 1.00 44.25 H new ATOM 0 HB THR A 21 8.386 -15.904 -31.076 1.00 24.30 H new ATOM 0 HG1 THR A 21 7.615 -16.024 -29.100 1.00 24.13 H new ATOM 0 HG21 THR A 21 9.160 -18.191 -30.566 1.00 30.11 H new ATOM 0 HG22 THR A 21 10.292 -17.338 -31.643 1.00 30.11 H new ATOM 0 HG23 THR A 21 10.678 -17.527 -29.916 1.00 30.11 H new ATOM 334 N LYS A 22 8.822 -12.991 -29.683 1.00 72.23 N ATOM 335 CA LYS A 22 8.052 -11.762 -29.834 1.00 35.51 C ATOM 336 C LYS A 22 8.739 -10.599 -29.126 1.00 71.21 C ATOM 337 O LYS A 22 8.741 -10.523 -27.897 1.00 44.31 O ATOM 338 CB LYS A 22 6.639 -11.950 -29.276 1.00 30.02 C ATOM 339 CG LYS A 22 5.641 -10.928 -29.792 1.00 35.33 C ATOM 340 CD LYS A 22 4.219 -11.461 -29.736 1.00 55.11 C ATOM 341 CE LYS A 22 3.866 -12.242 -30.993 1.00 24.12 C ATOM 342 NZ LYS A 22 3.485 -11.342 -32.116 1.00 71.45 N ATOM 0 H LYS A 22 8.893 -13.329 -28.723 1.00 72.23 H new ATOM 0 HA LYS A 22 7.989 -11.530 -30.897 1.00 35.51 H new ATOM 0 HB2 LYS A 22 6.287 -12.950 -29.530 1.00 30.02 H new ATOM 0 HB3 LYS A 22 6.676 -11.892 -28.188 1.00 30.02 H new ATOM 0 HG2 LYS A 22 5.713 -10.016 -29.199 1.00 35.33 H new ATOM 0 HG3 LYS A 22 5.890 -10.661 -30.819 1.00 35.33 H new ATOM 0 HD2 LYS A 22 4.104 -12.104 -28.863 1.00 55.11 H new ATOM 0 HD3 LYS A 22 3.523 -10.631 -29.615 1.00 55.11 H new ATOM 0 HE2 LYS A 22 4.717 -12.854 -31.291 1.00 24.12 H new ATOM 0 HE3 LYS A 22 3.043 -12.923 -30.778 1.00 24.12 H new ATOM 0 HZ1 LYS A 22 3.252 -11.912 -32.954 1.00 71.45 H new ATOM 0 HZ2 LYS A 22 2.657 -10.775 -31.841 1.00 71.45 H new ATOM 0 HZ3 LYS A 22 4.280 -10.709 -32.338 1.00 71.45 H new ATOM 356 N ILE A 23 9.319 -9.696 -29.909 1.00 1.10 N ATOM 357 CA ILE A 23 10.006 -8.535 -29.356 1.00 65.52 C ATOM 358 C ILE A 23 9.091 -7.745 -28.427 1.00 62.31 C ATOM 359 O ILE A 23 7.940 -7.453 -28.750 1.00 73.33 O ATOM 360 CB ILE A 23 10.519 -7.602 -30.469 1.00 24.22 C ATOM 361 CG1 ILE A 23 11.425 -8.371 -31.432 1.00 64.44 C ATOM 362 CG2 ILE A 23 11.261 -6.418 -29.867 1.00 23.22 C ATOM 363 CD1 ILE A 23 11.913 -7.539 -32.598 1.00 22.15 C ATOM 0 H ILE A 23 9.327 -9.746 -30.928 1.00 1.10 H new ATOM 0 HA ILE A 23 10.857 -8.912 -28.789 1.00 65.52 H new ATOM 0 HB ILE A 23 9.664 -7.224 -31.029 1.00 24.22 H new ATOM 0 HG12 ILE A 23 12.286 -8.752 -30.882 1.00 64.44 H new ATOM 0 HG13 ILE A 23 10.883 -9.236 -31.815 1.00 64.44 H new ATOM 0 HG21 ILE A 23 11.618 -5.768 -30.666 1.00 23.22 H new ATOM 0 HG22 ILE A 23 10.588 -5.859 -29.217 1.00 23.22 H new ATOM 0 HG23 ILE A 23 12.110 -6.778 -29.286 1.00 23.22 H new ATOM 0 HD11 ILE A 23 12.550 -8.149 -33.239 1.00 22.15 H new ATOM 0 HD12 ILE A 23 11.059 -7.180 -33.172 1.00 22.15 H new ATOM 0 HD13 ILE A 23 12.483 -6.688 -32.225 1.00 22.15 H new ATOM 375 N PRO A 24 9.614 -7.388 -27.245 1.00 30.44 N ATOM 376 CA PRO A 24 8.862 -6.624 -26.245 1.00 31.42 C ATOM 377 C PRO A 24 8.615 -5.184 -26.681 1.00 20.31 C ATOM 378 O PRO A 24 9.495 -4.539 -27.249 1.00 50.52 O ATOM 379 CB PRO A 24 9.770 -6.662 -25.013 1.00 51.10 C ATOM 380 CG PRO A 24 11.142 -6.858 -25.560 1.00 11.54 C ATOM 381 CD PRO A 24 10.980 -7.703 -26.793 1.00 12.33 C ATOM 0 HA PRO A 24 7.870 -7.043 -26.073 1.00 31.42 H new ATOM 0 HB2 PRO A 24 9.700 -5.737 -24.441 1.00 51.10 H new ATOM 0 HB3 PRO A 24 9.492 -7.474 -24.341 1.00 51.10 H new ATOM 0 HG2 PRO A 24 11.606 -5.902 -25.801 1.00 11.54 H new ATOM 0 HG3 PRO A 24 11.786 -7.351 -24.831 1.00 11.54 H new ATOM 0 HD2 PRO A 24 11.722 -7.453 -27.552 1.00 12.33 H new ATOM 0 HD3 PRO A 24 11.095 -8.764 -26.571 1.00 12.33 H new ATOM 389 N ALA A 25 7.413 -4.687 -26.411 1.00 14.02 N ATOM 390 CA ALA A 25 7.052 -3.322 -26.772 1.00 11.40 C ATOM 391 C ALA A 25 5.964 -2.779 -25.851 1.00 61.31 C ATOM 392 O ALA A 25 4.967 -3.452 -25.591 1.00 2.03 O ATOM 393 CB ALA A 25 6.596 -3.262 -28.222 1.00 62.24 C ATOM 0 H ALA A 25 6.672 -5.209 -25.943 1.00 14.02 H new ATOM 0 HA ALA A 25 7.937 -2.696 -26.654 1.00 11.40 H new ATOM 0 HB1 ALA A 25 6.330 -2.236 -28.477 1.00 62.24 H new ATOM 0 HB2 ALA A 25 7.403 -3.600 -28.872 1.00 62.24 H new ATOM 0 HB3 ALA A 25 5.728 -3.907 -28.357 1.00 62.24 H new ATOM 399 N GLU A 26 6.164 -1.560 -25.361 1.00 53.20 N ATOM 400 CA GLU A 26 5.200 -0.929 -24.467 1.00 35.30 C ATOM 401 C GLU A 26 3.907 -0.597 -25.207 1.00 62.24 C ATOM 402 O GLU A 26 3.910 -0.384 -26.420 1.00 53.33 O ATOM 403 CB GLU A 26 5.792 0.343 -23.857 1.00 61.31 C ATOM 404 CG GLU A 26 5.289 0.636 -22.454 1.00 2.33 C ATOM 405 CD GLU A 26 6.409 0.991 -21.495 1.00 2.11 C ATOM 406 OE1 GLU A 26 7.500 0.395 -21.612 1.00 23.44 O ATOM 407 OE2 GLU A 26 6.195 1.864 -20.628 1.00 51.25 O ATOM 0 H GLU A 26 6.984 -0.990 -25.568 1.00 53.20 H new ATOM 0 HA GLU A 26 4.970 -1.634 -23.668 1.00 35.30 H new ATOM 0 HB2 GLU A 26 6.878 0.253 -23.833 1.00 61.31 H new ATOM 0 HB3 GLU A 26 5.556 1.189 -24.502 1.00 61.31 H new ATOM 0 HG2 GLU A 26 4.574 1.458 -22.493 1.00 2.33 H new ATOM 0 HG3 GLU A 26 4.753 -0.234 -22.075 1.00 2.33 H new ATOM 414 N THR A 27 2.803 -0.556 -24.469 1.00 14.02 N ATOM 415 CA THR A 27 1.503 -0.252 -25.054 1.00 32.22 C ATOM 416 C THR A 27 0.879 0.976 -24.401 1.00 5.22 C ATOM 417 O THR A 27 1.518 1.655 -23.595 1.00 72.01 O ATOM 418 CB THR A 27 0.533 -1.441 -24.916 1.00 11.23 C ATOM 419 OG1 THR A 27 0.207 -1.650 -23.537 1.00 50.50 O ATOM 420 CG2 THR A 27 1.144 -2.708 -25.495 1.00 12.10 C ATOM 0 H THR A 27 2.783 -0.730 -23.464 1.00 14.02 H new ATOM 0 HA THR A 27 1.672 -0.051 -26.112 1.00 32.22 H new ATOM 0 HB THR A 27 -0.375 -1.207 -25.472 1.00 11.23 H new ATOM 0 HG1 THR A 27 -0.690 -2.038 -23.468 1.00 50.50 H new ATOM 0 HG21 THR A 27 0.441 -3.534 -25.386 1.00 12.10 H new ATOM 0 HG22 THR A 27 1.364 -2.556 -26.552 1.00 12.10 H new ATOM 0 HG23 THR A 27 2.066 -2.944 -24.963 1.00 12.10 H new ATOM 428 N LEU A 28 -0.370 1.257 -24.752 1.00 75.21 N ATOM 429 CA LEU A 28 -1.081 2.404 -24.199 1.00 14.41 C ATOM 430 C LEU A 28 -1.147 2.322 -22.677 1.00 50.42 C ATOM 431 O LEU A 28 -1.116 3.343 -21.988 1.00 63.51 O ATOM 432 CB LEU A 28 -2.495 2.481 -24.778 1.00 41.44 C ATOM 433 CG LEU A 28 -3.063 3.887 -24.977 1.00 71.14 C ATOM 434 CD1 LEU A 28 -3.165 4.615 -23.646 1.00 71.11 C ATOM 435 CD2 LEU A 28 -2.204 4.676 -25.954 1.00 41.15 C ATOM 0 H LEU A 28 -0.912 0.706 -25.418 1.00 75.21 H new ATOM 0 HA LEU A 28 -0.533 3.306 -24.473 1.00 14.41 H new ATOM 0 HB2 LEU A 28 -2.500 1.969 -25.740 1.00 41.44 H new ATOM 0 HB3 LEU A 28 -3.166 1.929 -24.120 1.00 41.44 H new ATOM 0 HG LEU A 28 -4.065 3.797 -25.396 1.00 71.14 H new ATOM 0 HD11 LEU A 28 -3.571 5.614 -23.808 1.00 71.11 H new ATOM 0 HD12 LEU A 28 -3.823 4.060 -22.977 1.00 71.11 H new ATOM 0 HD13 LEU A 28 -2.175 4.694 -23.198 1.00 71.11 H new ATOM 0 HD21 LEU A 28 -2.623 5.674 -26.083 1.00 41.15 H new ATOM 0 HD22 LEU A 28 -1.189 4.756 -25.564 1.00 41.15 H new ATOM 0 HD23 LEU A 28 -2.183 4.164 -26.916 1.00 41.15 H new ATOM 447 N HIS A 29 -1.236 1.102 -22.159 1.00 32.33 N ATOM 448 CA HIS A 29 -1.304 0.886 -20.718 1.00 14.23 C ATOM 449 C HIS A 29 0.083 0.622 -20.142 1.00 24.23 C ATOM 450 O HIS A 29 0.222 -0.002 -19.090 1.00 75.25 O ATOM 451 CB HIS A 29 -2.233 -0.286 -20.399 1.00 52.24 C ATOM 452 CG HIS A 29 -2.893 -0.180 -19.059 1.00 74.02 C ATOM 453 ND1 HIS A 29 -3.876 0.745 -18.775 1.00 71.32 N ATOM 454 CD2 HIS A 29 -2.708 -0.891 -17.922 1.00 51.04 C ATOM 455 CE1 HIS A 29 -4.265 0.599 -17.521 1.00 54.23 C ATOM 456 NE2 HIS A 29 -3.572 -0.387 -16.982 1.00 33.24 N ATOM 0 H HIS A 29 -1.263 0.247 -22.715 1.00 32.33 H new ATOM 0 HA HIS A 29 -1.703 1.791 -20.259 1.00 14.23 H new ATOM 0 HB2 HIS A 29 -3.002 -0.350 -21.169 1.00 52.24 H new ATOM 0 HB3 HIS A 29 -1.662 -1.213 -20.441 1.00 52.24 H new ATOM 0 HD2 HIS A 29 -2.011 -1.703 -17.781 1.00 51.04 H new ATOM 0 HE1 HIS A 29 -5.021 1.186 -17.022 1.00 54.23 H new ATOM 0 HE2 HIS A 29 -3.664 -0.720 -16.022 1.00 33.24 H new ATOM 464 N GLY A 30 1.110 1.101 -20.839 1.00 35.24 N ATOM 465 CA GLY A 30 2.473 0.905 -20.382 1.00 32.44 C ATOM 466 C GLY A 30 2.796 -0.555 -20.130 1.00 14.10 C ATOM 467 O GLY A 30 3.572 -0.882 -19.232 1.00 1.34 O ATOM 0 H GLY A 30 1.022 1.621 -21.712 1.00 35.24 H new ATOM 0 HA2 GLY A 30 3.163 1.303 -21.126 1.00 32.44 H new ATOM 0 HA3 GLY A 30 2.631 1.472 -19.465 1.00 32.44 H new ATOM 471 N THR A 31 2.197 -1.437 -20.924 1.00 61.32 N ATOM 472 CA THR A 31 2.424 -2.870 -20.782 1.00 75.05 C ATOM 473 C THR A 31 3.273 -3.408 -21.928 1.00 21.41 C ATOM 474 O THR A 31 3.165 -2.948 -23.064 1.00 52.44 O ATOM 475 CB THR A 31 1.094 -3.647 -20.735 1.00 43.12 C ATOM 476 OG1 THR A 31 0.028 -2.823 -21.219 1.00 12.11 O ATOM 477 CG2 THR A 31 0.785 -4.105 -19.318 1.00 2.22 C ATOM 0 H THR A 31 1.551 -1.184 -21.672 1.00 61.32 H new ATOM 0 HA THR A 31 2.955 -3.015 -19.841 1.00 75.05 H new ATOM 0 HB THR A 31 1.190 -4.527 -21.371 1.00 43.12 H new ATOM 0 HG1 THR A 31 0.297 -2.401 -22.061 1.00 12.11 H new ATOM 0 HG21 THR A 31 -0.158 -4.651 -19.310 1.00 2.22 H new ATOM 0 HG22 THR A 31 1.584 -4.756 -18.964 1.00 2.22 H new ATOM 0 HG23 THR A 31 0.707 -3.237 -18.664 1.00 2.22 H new ATOM 485 N VAL A 32 4.119 -4.387 -21.622 1.00 72.41 N ATOM 486 CA VAL A 32 4.985 -4.991 -22.627 1.00 45.23 C ATOM 487 C VAL A 32 4.769 -6.498 -22.706 1.00 43.11 C ATOM 488 O VAL A 32 4.803 -7.196 -21.692 1.00 14.53 O ATOM 489 CB VAL A 32 6.470 -4.711 -22.329 1.00 24.11 C ATOM 490 CG1 VAL A 32 6.859 -5.278 -20.972 1.00 35.02 C ATOM 491 CG2 VAL A 32 7.352 -5.286 -23.428 1.00 14.23 C ATOM 0 H VAL A 32 4.223 -4.778 -20.686 1.00 72.41 H new ATOM 0 HA VAL A 32 4.722 -4.539 -23.584 1.00 45.23 H new ATOM 0 HB VAL A 32 6.619 -3.632 -22.302 1.00 24.11 H new ATOM 0 HG11 VAL A 32 7.912 -5.070 -20.779 1.00 35.02 H new ATOM 0 HG12 VAL A 32 6.250 -4.815 -20.196 1.00 35.02 H new ATOM 0 HG13 VAL A 32 6.695 -6.356 -20.967 1.00 35.02 H new ATOM 0 HG21 VAL A 32 8.398 -5.079 -23.201 1.00 14.23 H new ATOM 0 HG22 VAL A 32 7.201 -6.364 -23.490 1.00 14.23 H new ATOM 0 HG23 VAL A 32 7.090 -4.828 -24.382 1.00 14.23 H new ATOM 501 N THR A 33 4.548 -6.996 -23.919 1.00 11.03 N ATOM 502 CA THR A 33 4.328 -8.421 -24.131 1.00 52.11 C ATOM 503 C THR A 33 5.648 -9.160 -24.313 1.00 65.11 C ATOM 504 O THR A 33 6.558 -8.671 -24.983 1.00 2.12 O ATOM 505 CB THR A 33 3.437 -8.674 -25.362 1.00 31.41 C ATOM 506 OG1 THR A 33 4.180 -8.435 -26.562 1.00 62.53 O ATOM 507 CG2 THR A 33 2.208 -7.779 -25.334 1.00 13.41 C ATOM 0 H THR A 33 4.517 -6.433 -24.769 1.00 11.03 H new ATOM 0 HA THR A 33 3.823 -8.799 -23.242 1.00 52.11 H new ATOM 0 HB THR A 33 3.110 -9.714 -25.338 1.00 31.41 H new ATOM 0 HG1 THR A 33 3.607 -8.600 -27.340 1.00 62.53 H new ATOM 0 HG21 THR A 33 1.594 -7.976 -26.213 1.00 13.41 H new ATOM 0 HG22 THR A 33 1.629 -7.984 -24.434 1.00 13.41 H new ATOM 0 HG23 THR A 33 2.519 -6.734 -25.335 1.00 13.41 H new ATOM 515 N VAL A 34 5.747 -10.342 -23.713 1.00 63.21 N ATOM 516 CA VAL A 34 6.957 -11.150 -23.810 1.00 70.25 C ATOM 517 C VAL A 34 6.644 -12.547 -24.335 1.00 21.11 C ATOM 518 O VAL A 34 5.653 -13.161 -23.941 1.00 11.52 O ATOM 519 CB VAL A 34 7.662 -11.272 -22.446 1.00 40.25 C ATOM 520 CG1 VAL A 34 6.837 -12.123 -21.493 1.00 1.42 C ATOM 521 CG2 VAL A 34 9.058 -11.851 -22.619 1.00 2.44 C ATOM 0 H VAL A 34 5.004 -10.761 -23.154 1.00 63.21 H new ATOM 0 HA VAL A 34 7.621 -10.642 -24.509 1.00 70.25 H new ATOM 0 HB VAL A 34 7.757 -10.276 -22.015 1.00 40.25 H new ATOM 0 HG11 VAL A 34 7.351 -12.198 -20.535 1.00 1.42 H new ATOM 0 HG12 VAL A 34 5.860 -11.662 -21.346 1.00 1.42 H new ATOM 0 HG13 VAL A 34 6.708 -13.120 -21.914 1.00 1.42 H new ATOM 0 HG21 VAL A 34 9.542 -11.930 -21.646 1.00 2.44 H new ATOM 0 HG22 VAL A 34 8.988 -12.840 -23.071 1.00 2.44 H new ATOM 0 HG23 VAL A 34 9.645 -11.198 -23.264 1.00 2.44 H new ATOM 531 N GLU A 35 7.497 -13.044 -25.226 1.00 11.34 N ATOM 532 CA GLU A 35 7.311 -14.370 -25.803 1.00 51.44 C ATOM 533 C GLU A 35 8.655 -15.039 -26.072 1.00 65.41 C ATOM 534 O GLU A 35 9.593 -14.404 -26.555 1.00 72.01 O ATOM 535 CB GLU A 35 6.507 -14.276 -27.102 1.00 32.21 C ATOM 536 CG GLU A 35 5.544 -15.434 -27.306 1.00 41.22 C ATOM 537 CD GLU A 35 5.233 -15.682 -28.769 1.00 75.22 C ATOM 538 OE1 GLU A 35 4.113 -16.149 -29.066 1.00 15.33 O ATOM 539 OE2 GLU A 35 6.108 -15.411 -29.617 1.00 51.22 O ATOM 0 H GLU A 35 8.322 -12.549 -25.563 1.00 11.34 H new ATOM 0 HA GLU A 35 6.760 -14.977 -25.085 1.00 51.44 H new ATOM 0 HB2 GLU A 35 5.945 -13.342 -27.105 1.00 32.21 H new ATOM 0 HB3 GLU A 35 7.197 -14.235 -27.945 1.00 32.21 H new ATOM 0 HG2 GLU A 35 5.971 -16.338 -26.871 1.00 41.22 H new ATOM 0 HG3 GLU A 35 4.617 -15.229 -26.771 1.00 41.22 H new ATOM 546 N VAL A 36 8.742 -16.327 -25.755 1.00 22.42 N ATOM 547 CA VAL A 36 9.970 -17.085 -25.964 1.00 23.14 C ATOM 548 C VAL A 36 9.667 -18.515 -26.397 1.00 52.11 C ATOM 549 O VAL A 36 8.506 -18.891 -26.559 1.00 44.03 O ATOM 550 CB VAL A 36 10.832 -17.119 -24.688 1.00 25.22 C ATOM 551 CG1 VAL A 36 11.426 -15.747 -24.407 1.00 71.03 C ATOM 552 CG2 VAL A 36 10.012 -17.606 -23.503 1.00 74.43 C ATOM 0 H VAL A 36 7.976 -16.867 -25.352 1.00 22.42 H new ATOM 0 HA VAL A 36 10.523 -16.579 -26.755 1.00 23.14 H new ATOM 0 HB VAL A 36 11.653 -17.819 -24.845 1.00 25.22 H new ATOM 0 HG11 VAL A 36 12.032 -15.791 -23.502 1.00 71.03 H new ATOM 0 HG12 VAL A 36 12.050 -15.442 -25.247 1.00 71.03 H new ATOM 0 HG13 VAL A 36 10.622 -15.023 -24.271 1.00 71.03 H new ATOM 0 HG21 VAL A 36 10.637 -17.624 -22.610 1.00 74.43 H new ATOM 0 HG22 VAL A 36 9.169 -16.933 -23.343 1.00 74.43 H new ATOM 0 HG23 VAL A 36 9.641 -18.611 -23.706 1.00 74.43 H new ATOM 562 N GLN A 37 10.718 -19.307 -26.582 1.00 51.15 N ATOM 563 CA GLN A 37 10.563 -20.696 -26.997 1.00 63.23 C ATOM 564 C GLN A 37 10.880 -21.646 -25.847 1.00 30.20 C ATOM 565 O GLN A 37 11.995 -21.655 -25.325 1.00 61.01 O ATOM 566 CB GLN A 37 11.473 -20.999 -28.189 1.00 53.25 C ATOM 567 CG GLN A 37 11.384 -19.965 -29.300 1.00 50.22 C ATOM 568 CD GLN A 37 12.320 -20.266 -30.454 1.00 50.01 C ATOM 569 OE1 GLN A 37 12.552 -21.427 -30.794 1.00 11.43 O ATOM 570 NE2 GLN A 37 12.864 -19.219 -31.064 1.00 72.42 N ATOM 0 H GLN A 37 11.685 -19.011 -26.451 1.00 51.15 H new ATOM 0 HA GLN A 37 9.525 -20.846 -27.294 1.00 63.23 H new ATOM 0 HB2 GLN A 37 12.505 -21.060 -27.842 1.00 53.25 H new ATOM 0 HB3 GLN A 37 11.215 -21.978 -28.593 1.00 53.25 H new ATOM 0 HG2 GLN A 37 10.360 -19.922 -29.670 1.00 50.22 H new ATOM 0 HG3 GLN A 37 11.618 -18.981 -28.895 1.00 50.22 H new ATOM 0 HE21 GLN A 37 12.644 -18.274 -30.749 1.00 72.42 H new ATOM 0 HE22 GLN A 37 13.502 -19.360 -31.847 1.00 72.42 H new ATOM 579 N TYR A 38 9.892 -22.444 -25.456 1.00 64.05 N ATOM 580 CA TYR A 38 10.065 -23.395 -24.365 1.00 35.21 C ATOM 581 C TYR A 38 10.437 -24.775 -24.898 1.00 65.03 C ATOM 582 O TYR A 38 9.715 -25.356 -25.708 1.00 1.12 O ATOM 583 CB TYR A 38 8.784 -23.487 -23.533 1.00 51.44 C ATOM 584 CG TYR A 38 8.828 -24.561 -22.470 1.00 54.22 C ATOM 585 CD1 TYR A 38 8.106 -25.740 -22.616 1.00 3.51 C ATOM 586 CD2 TYR A 38 9.589 -24.397 -21.320 1.00 1.12 C ATOM 587 CE1 TYR A 38 8.143 -26.724 -21.647 1.00 15.51 C ATOM 588 CE2 TYR A 38 9.632 -25.376 -20.346 1.00 65.03 C ATOM 589 CZ TYR A 38 8.907 -26.537 -20.514 1.00 64.33 C ATOM 590 OH TYR A 38 8.947 -27.514 -19.546 1.00 72.52 O ATOM 0 H TYR A 38 8.964 -22.451 -25.878 1.00 64.05 H new ATOM 0 HA TYR A 38 10.878 -23.038 -23.732 1.00 35.21 H new ATOM 0 HB2 TYR A 38 8.600 -22.524 -23.057 1.00 51.44 H new ATOM 0 HB3 TYR A 38 7.942 -23.680 -24.198 1.00 51.44 H new ATOM 0 HD1 TYR A 38 7.506 -25.889 -23.502 1.00 3.51 H new ATOM 0 HD2 TYR A 38 10.157 -23.488 -21.185 1.00 1.12 H new ATOM 0 HE1 TYR A 38 7.577 -27.635 -21.776 1.00 15.51 H new ATOM 0 HE2 TYR A 38 10.230 -25.233 -19.458 1.00 65.03 H new ATOM 0 HH TYR A 38 9.532 -27.226 -18.814 1.00 72.52 H new ATOM 600 N ALA A 39 11.571 -25.294 -24.437 1.00 51.25 N ATOM 601 CA ALA A 39 12.041 -26.605 -24.867 1.00 30.13 C ATOM 602 C ALA A 39 12.300 -27.514 -23.670 1.00 74.31 C ATOM 603 O ALA A 39 13.373 -28.103 -23.546 1.00 75.20 O ATOM 604 CB ALA A 39 13.301 -26.465 -25.708 1.00 2.24 C ATOM 0 H ALA A 39 12.181 -24.826 -23.766 1.00 51.25 H new ATOM 0 HA ALA A 39 11.261 -27.062 -25.476 1.00 30.13 H new ATOM 0 HB1 ALA A 39 13.640 -27.452 -26.022 1.00 2.24 H new ATOM 0 HB2 ALA A 39 13.086 -25.858 -26.588 1.00 2.24 H new ATOM 0 HB3 ALA A 39 14.081 -25.984 -25.118 1.00 2.24 H new ATOM 675 N LYS A 46 6.391 -23.571 -15.331 1.00 13.13 N ATOM 676 CA LYS A 46 6.543 -22.128 -15.478 1.00 21.31 C ATOM 677 C LYS A 46 7.975 -21.769 -15.860 1.00 4.31 C ATOM 678 O LYS A 46 8.929 -22.215 -15.222 1.00 42.20 O ATOM 679 CB LYS A 46 6.157 -21.419 -14.178 1.00 42.31 C ATOM 680 CG LYS A 46 4.681 -21.531 -13.839 1.00 51.11 C ATOM 681 CD LYS A 46 4.445 -21.445 -12.340 1.00 72.45 C ATOM 682 CE LYS A 46 4.432 -20.002 -11.860 1.00 20.43 C ATOM 683 NZ LYS A 46 5.809 -19.461 -11.692 1.00 63.32 N ATOM 0 HA LYS A 46 5.879 -21.797 -16.276 1.00 21.31 H new ATOM 0 HB2 LYS A 46 6.742 -21.837 -13.359 1.00 42.31 H new ATOM 0 HB3 LYS A 46 6.424 -20.365 -14.256 1.00 42.31 H new ATOM 0 HG2 LYS A 46 4.130 -20.736 -14.341 1.00 51.11 H new ATOM 0 HG3 LYS A 46 4.291 -22.476 -14.216 1.00 51.11 H new ATOM 0 HD2 LYS A 46 3.496 -21.921 -12.092 1.00 72.45 H new ATOM 0 HD3 LYS A 46 5.225 -21.997 -11.816 1.00 72.45 H new ATOM 0 HE2 LYS A 46 3.885 -19.387 -12.574 1.00 20.43 H new ATOM 0 HE3 LYS A 46 3.899 -19.940 -10.911 1.00 20.43 H new ATOM 0 HZ1 LYS A 46 5.811 -18.745 -10.937 1.00 63.32 H new ATOM 0 HZ2 LYS A 46 6.457 -20.234 -11.438 1.00 63.32 H new ATOM 0 HZ3 LYS A 46 6.122 -19.025 -12.583 1.00 63.32 H new ATOM 697 N VAL A 47 8.119 -20.958 -16.904 1.00 20.33 N ATOM 698 CA VAL A 47 9.435 -20.536 -17.368 1.00 51.12 C ATOM 699 C VAL A 47 9.896 -19.277 -16.642 1.00 22.42 C ATOM 700 O VAL A 47 9.092 -18.477 -16.164 1.00 4.50 O ATOM 701 CB VAL A 47 9.436 -20.269 -18.885 1.00 73.22 C ATOM 702 CG1 VAL A 47 9.255 -21.568 -19.656 1.00 21.01 C ATOM 703 CG2 VAL A 47 8.351 -19.268 -19.250 1.00 55.42 C ATOM 0 H VAL A 47 7.340 -20.580 -17.444 1.00 20.33 H new ATOM 0 HA VAL A 47 10.124 -21.352 -17.149 1.00 51.12 H new ATOM 0 HB VAL A 47 10.400 -19.842 -19.161 1.00 73.22 H new ATOM 0 HG11 VAL A 47 9.258 -21.360 -20.726 1.00 21.01 H new ATOM 0 HG12 VAL A 47 10.071 -22.250 -19.417 1.00 21.01 H new ATOM 0 HG13 VAL A 47 8.306 -22.027 -19.379 1.00 21.01 H new ATOM 0 HG21 VAL A 47 8.366 -19.091 -20.325 1.00 55.42 H new ATOM 0 HG22 VAL A 47 7.378 -19.665 -18.961 1.00 55.42 H new ATOM 0 HG23 VAL A 47 8.530 -18.330 -18.725 1.00 55.42 H new ATOM 713 N PRO A 48 11.222 -19.096 -16.556 1.00 25.42 N ATOM 714 CA PRO A 48 11.822 -17.936 -15.889 1.00 75.42 C ATOM 715 C PRO A 48 11.597 -16.642 -16.664 1.00 35.51 C ATOM 716 O PRO A 48 11.635 -16.630 -17.894 1.00 1.32 O ATOM 717 CB PRO A 48 13.312 -18.282 -15.847 1.00 61.21 C ATOM 718 CG PRO A 48 13.515 -19.223 -16.984 1.00 40.12 C ATOM 719 CD PRO A 48 12.239 -20.010 -17.103 1.00 63.12 C ATOM 0 HA PRO A 48 11.384 -17.759 -14.907 1.00 75.42 H new ATOM 0 HB2 PRO A 48 13.929 -17.390 -15.957 1.00 61.21 H new ATOM 0 HB3 PRO A 48 13.585 -18.743 -14.898 1.00 61.21 H new ATOM 0 HG2 PRO A 48 13.727 -18.681 -17.906 1.00 40.12 H new ATOM 0 HG3 PRO A 48 14.364 -19.881 -16.799 1.00 40.12 H new ATOM 0 HD2 PRO A 48 12.026 -20.275 -18.138 1.00 63.12 H new ATOM 0 HD3 PRO A 48 12.287 -20.941 -16.539 1.00 63.12 H new ATOM 727 N ALA A 49 11.362 -15.556 -15.936 1.00 50.50 N ATOM 728 CA ALA A 49 11.135 -14.256 -16.555 1.00 53.24 C ATOM 729 C ALA A 49 11.441 -13.123 -15.582 1.00 43.31 C ATOM 730 O ALA A 49 10.854 -13.043 -14.504 1.00 32.43 O ATOM 731 CB ALA A 49 9.701 -14.152 -17.054 1.00 71.31 C ATOM 0 H ALA A 49 11.324 -15.550 -14.917 1.00 50.50 H new ATOM 0 HA ALA A 49 11.812 -14.163 -17.404 1.00 53.24 H new ATOM 0 HB1 ALA A 49 9.546 -13.176 -17.514 1.00 71.31 H new ATOM 0 HB2 ALA A 49 9.514 -14.934 -17.790 1.00 71.31 H new ATOM 0 HB3 ALA A 49 9.015 -14.271 -16.216 1.00 71.31 H new ATOM 737 N GLN A 50 12.365 -12.249 -15.970 1.00 71.21 N ATOM 738 CA GLN A 50 12.750 -11.121 -15.130 1.00 31.52 C ATOM 739 C GLN A 50 13.745 -10.219 -15.852 1.00 71.11 C ATOM 740 O GLN A 50 14.311 -10.599 -16.877 1.00 1.43 O ATOM 741 CB GLN A 50 13.356 -11.620 -13.817 1.00 34.13 C ATOM 742 CG GLN A 50 14.578 -12.504 -14.007 1.00 51.33 C ATOM 743 CD GLN A 50 15.852 -11.704 -14.195 1.00 62.33 C ATOM 744 OE1 GLN A 50 16.252 -11.408 -15.321 1.00 43.24 O ATOM 745 NE2 GLN A 50 16.498 -11.350 -13.090 1.00 72.42 N ATOM 0 H GLN A 50 12.860 -12.301 -16.860 1.00 71.21 H new ATOM 0 HA GLN A 50 11.854 -10.540 -14.911 1.00 31.52 H new ATOM 0 HB2 GLN A 50 13.631 -10.762 -13.204 1.00 34.13 H new ATOM 0 HB3 GLN A 50 12.598 -12.176 -13.265 1.00 34.13 H new ATOM 0 HG2 GLN A 50 14.688 -13.157 -13.141 1.00 51.33 H new ATOM 0 HG3 GLN A 50 14.426 -13.147 -14.874 1.00 51.33 H new ATOM 0 HE21 GLN A 50 16.130 -11.617 -12.177 1.00 72.42 H new ATOM 0 HE22 GLN A 50 17.362 -10.811 -13.155 1.00 72.42 H new ATOM 754 N MET A 51 13.952 -9.023 -15.311 1.00 63.01 N ATOM 755 CA MET A 51 14.880 -8.067 -15.904 1.00 51.15 C ATOM 756 C MET A 51 16.161 -7.969 -15.081 1.00 75.35 C ATOM 757 O MET A 51 16.292 -8.615 -14.042 1.00 40.02 O ATOM 758 CB MET A 51 14.224 -6.689 -16.015 1.00 4.15 C ATOM 759 CG MET A 51 13.628 -6.407 -17.384 1.00 72.40 C ATOM 760 SD MET A 51 12.284 -5.207 -17.323 1.00 12.12 S ATOM 761 CE MET A 51 10.859 -6.289 -17.409 1.00 61.02 C ATOM 0 H MET A 51 13.490 -8.693 -14.464 1.00 63.01 H new ATOM 0 HA MET A 51 15.138 -8.420 -16.902 1.00 51.15 H new ATOM 0 HB2 MET A 51 13.439 -6.608 -15.263 1.00 4.15 H new ATOM 0 HB3 MET A 51 14.965 -5.923 -15.786 1.00 4.15 H new ATOM 0 HG2 MET A 51 14.410 -6.037 -18.047 1.00 72.40 H new ATOM 0 HG3 MET A 51 13.259 -7.338 -17.814 1.00 72.40 H new ATOM 0 HE1 MET A 51 10.138 -5.885 -18.120 1.00 61.02 H new ATOM 0 HE2 MET A 51 11.174 -7.280 -17.735 1.00 61.02 H new ATOM 0 HE3 MET A 51 10.397 -6.361 -16.424 1.00 61.02 H new ATOM 771 N ALA A 52 17.102 -7.158 -15.554 1.00 32.54 N ATOM 772 CA ALA A 52 18.371 -6.976 -14.860 1.00 52.13 C ATOM 773 C ALA A 52 19.166 -5.824 -15.465 1.00 11.41 C ATOM 774 O ALA A 52 19.809 -5.977 -16.503 1.00 72.34 O ATOM 775 CB ALA A 52 19.185 -8.261 -14.902 1.00 52.42 C ATOM 0 H ALA A 52 17.010 -6.617 -16.414 1.00 32.54 H new ATOM 0 HA ALA A 52 18.156 -6.729 -13.820 1.00 52.13 H new ATOM 0 HB1 ALA A 52 20.130 -8.110 -14.380 1.00 52.42 H new ATOM 0 HB2 ALA A 52 18.626 -9.062 -14.417 1.00 52.42 H new ATOM 0 HB3 ALA A 52 19.383 -8.533 -15.939 1.00 52.42 H new ATOM 781 N VAL A 53 19.117 -4.669 -14.809 1.00 2.43 N ATOM 782 CA VAL A 53 19.835 -3.490 -15.281 1.00 34.31 C ATOM 783 C VAL A 53 21.330 -3.764 -15.390 1.00 23.54 C ATOM 784 O VAL A 53 21.989 -3.308 -16.324 1.00 2.20 O ATOM 785 CB VAL A 53 19.611 -2.286 -14.347 1.00 41.34 C ATOM 786 CG1 VAL A 53 18.167 -1.813 -14.422 1.00 45.52 C ATOM 787 CG2 VAL A 53 19.991 -2.642 -12.918 1.00 74.30 C ATOM 0 H VAL A 53 18.588 -4.524 -13.949 1.00 2.43 H new ATOM 0 HA VAL A 53 19.440 -3.253 -16.269 1.00 34.31 H new ATOM 0 HB VAL A 53 20.253 -1.469 -14.676 1.00 41.34 H new ATOM 0 HG11 VAL A 53 18.028 -0.962 -13.755 1.00 45.52 H new ATOM 0 HG12 VAL A 53 17.934 -1.515 -15.444 1.00 45.52 H new ATOM 0 HG13 VAL A 53 17.503 -2.623 -14.120 1.00 45.52 H new ATOM 0 HG21 VAL A 53 19.826 -1.780 -12.272 1.00 74.30 H new ATOM 0 HG22 VAL A 53 19.377 -3.475 -12.575 1.00 74.30 H new ATOM 0 HG23 VAL A 53 21.042 -2.927 -12.881 1.00 74.30 H new ATOM 797 N ASP A 54 21.860 -4.513 -14.429 1.00 22.23 N ATOM 798 CA ASP A 54 23.279 -4.849 -14.416 1.00 3.33 C ATOM 799 C ASP A 54 23.485 -6.349 -14.596 1.00 74.52 C ATOM 800 O ASP A 54 22.707 -7.157 -14.089 1.00 71.44 O ATOM 801 CB ASP A 54 23.922 -4.387 -13.107 1.00 23.11 C ATOM 802 CG ASP A 54 23.966 -2.877 -12.984 1.00 54.33 C ATOM 803 OD1 ASP A 54 23.496 -2.192 -13.917 1.00 51.41 O ATOM 804 OD2 ASP A 54 24.468 -2.380 -11.955 1.00 45.42 O ATOM 0 H ASP A 54 21.328 -4.899 -13.649 1.00 22.23 H new ATOM 0 HA ASP A 54 23.756 -4.333 -15.249 1.00 3.33 H new ATOM 0 HB2 ASP A 54 23.365 -4.801 -12.266 1.00 23.11 H new ATOM 0 HB3 ASP A 54 24.935 -4.783 -13.044 1.00 23.11 H new ATOM 809 N MET A 55 24.536 -6.715 -15.322 1.00 50.45 N ATOM 810 CA MET A 55 24.842 -8.119 -15.571 1.00 4.43 C ATOM 811 C MET A 55 25.826 -8.652 -14.534 1.00 0.11 C ATOM 812 O MET A 55 26.456 -9.689 -14.740 1.00 1.32 O ATOM 813 CB MET A 55 25.419 -8.296 -16.977 1.00 21.04 C ATOM 814 CG MET A 55 26.820 -7.728 -17.135 1.00 23.22 C ATOM 815 SD MET A 55 27.249 -7.405 -18.856 1.00 75.22 S ATOM 816 CE MET A 55 28.618 -6.268 -18.657 1.00 30.12 C ATOM 0 H MET A 55 25.190 -6.059 -15.748 1.00 50.45 H new ATOM 0 HA MET A 55 23.915 -8.687 -15.493 1.00 4.43 H new ATOM 0 HB2 MET A 55 25.437 -9.358 -17.223 1.00 21.04 H new ATOM 0 HB3 MET A 55 24.757 -7.813 -17.696 1.00 21.04 H new ATOM 0 HG2 MET A 55 26.899 -6.802 -16.565 1.00 23.22 H new ATOM 0 HG3 MET A 55 27.541 -8.426 -16.710 1.00 23.22 H new ATOM 0 HE1 MET A 55 28.993 -5.975 -19.638 1.00 30.12 H new ATOM 0 HE2 MET A 55 28.280 -5.382 -18.119 1.00 30.12 H new ATOM 0 HE3 MET A 55 29.415 -6.753 -18.093 1.00 30.12 H new ATOM 826 N GLN A 56 25.952 -7.936 -13.421 1.00 72.30 N ATOM 827 CA GLN A 56 26.860 -8.339 -12.353 1.00 53.53 C ATOM 828 C GLN A 56 26.149 -9.231 -11.342 1.00 33.43 C ATOM 829 O GLN A 56 26.725 -10.193 -10.833 1.00 21.33 O ATOM 830 CB GLN A 56 27.432 -7.106 -11.650 1.00 72.33 C ATOM 831 CG GLN A 56 28.552 -7.428 -10.674 1.00 35.12 C ATOM 832 CD GLN A 56 29.836 -7.832 -11.371 1.00 34.32 C ATOM 833 OE1 GLN A 56 30.598 -6.983 -11.835 1.00 35.54 O ATOM 834 NE2 GLN A 56 30.083 -9.135 -11.448 1.00 52.31 N ATOM 0 H GLN A 56 25.438 -7.075 -13.235 1.00 72.30 H new ATOM 0 HA GLN A 56 27.677 -8.906 -12.799 1.00 53.53 H new ATOM 0 HB2 GLN A 56 27.805 -6.410 -12.401 1.00 72.33 H new ATOM 0 HB3 GLN A 56 26.630 -6.598 -11.115 1.00 72.33 H new ATOM 0 HG2 GLN A 56 28.743 -6.558 -10.046 1.00 35.12 H new ATOM 0 HG3 GLN A 56 28.233 -8.234 -10.014 1.00 35.12 H new ATOM 0 HE21 GLN A 56 29.424 -9.803 -11.050 1.00 52.31 H new ATOM 0 HE22 GLN A 56 30.932 -9.467 -11.906 1.00 52.31 H new ATOM 843 N THR A 57 24.892 -8.907 -11.053 1.00 41.33 N ATOM 844 CA THR A 57 24.102 -9.678 -10.102 1.00 24.21 C ATOM 845 C THR A 57 22.850 -10.245 -10.760 1.00 34.35 C ATOM 846 O THR A 57 22.366 -11.313 -10.380 1.00 15.50 O ATOM 847 CB THR A 57 23.690 -8.822 -8.890 1.00 34.12 C ATOM 848 OG1 THR A 57 23.262 -7.527 -9.327 1.00 72.53 O ATOM 849 CG2 THR A 57 24.845 -8.676 -7.912 1.00 24.25 C ATOM 0 H THR A 57 24.399 -8.115 -11.465 1.00 41.33 H new ATOM 0 HA THR A 57 24.732 -10.499 -9.759 1.00 24.21 H new ATOM 0 HB THR A 57 22.867 -9.324 -8.382 1.00 34.12 H new ATOM 0 HG1 THR A 57 23.000 -6.990 -8.550 1.00 72.53 H new ATOM 0 HG21 THR A 57 24.529 -8.067 -7.065 1.00 24.25 H new ATOM 0 HG22 THR A 57 25.149 -9.661 -7.558 1.00 24.25 H new ATOM 0 HG23 THR A 57 25.686 -8.195 -8.411 1.00 24.25 H new ATOM 857 N LEU A 58 22.329 -9.526 -11.747 1.00 75.14 N ATOM 858 CA LEU A 58 21.131 -9.959 -12.460 1.00 0.35 C ATOM 859 C LEU A 58 19.962 -10.141 -11.497 1.00 75.35 C ATOM 860 O LEU A 58 19.144 -11.048 -11.661 1.00 1.12 O ATOM 861 CB LEU A 58 21.402 -11.266 -13.205 1.00 73.54 C ATOM 862 CG LEU A 58 22.286 -11.160 -14.449 1.00 15.44 C ATOM 863 CD1 LEU A 58 21.754 -10.091 -15.391 1.00 72.13 C ATOM 864 CD2 LEU A 58 23.725 -10.859 -14.056 1.00 15.43 C ATOM 0 H LEU A 58 22.716 -8.640 -12.073 1.00 75.14 H new ATOM 0 HA LEU A 58 20.867 -9.186 -13.181 1.00 0.35 H new ATOM 0 HB2 LEU A 58 21.868 -11.966 -12.512 1.00 73.54 H new ATOM 0 HB3 LEU A 58 20.446 -11.698 -13.499 1.00 73.54 H new ATOM 0 HG LEU A 58 22.265 -12.117 -14.970 1.00 15.44 H new ATOM 0 HD11 LEU A 58 22.395 -10.029 -16.270 1.00 72.13 H new ATOM 0 HD12 LEU A 58 20.740 -10.348 -15.698 1.00 72.13 H new ATOM 0 HD13 LEU A 58 21.745 -9.128 -14.880 1.00 72.13 H new ATOM 0 HD21 LEU A 58 24.340 -10.787 -14.953 1.00 15.43 H new ATOM 0 HD22 LEU A 58 23.764 -9.915 -13.513 1.00 15.43 H new ATOM 0 HD23 LEU A 58 24.104 -11.659 -13.420 1.00 15.43 H new ATOM 876 N THR A 59 19.886 -9.272 -10.494 1.00 70.40 N ATOM 877 CA THR A 59 18.815 -9.336 -9.507 1.00 44.32 C ATOM 878 C THR A 59 17.447 -9.263 -10.175 1.00 40.30 C ATOM 879 O THR A 59 17.284 -8.685 -11.250 1.00 62.21 O ATOM 880 CB THR A 59 18.933 -8.197 -8.477 1.00 52.51 C ATOM 881 OG1 THR A 59 19.510 -7.039 -9.091 1.00 2.32 O ATOM 882 CG2 THR A 59 19.783 -8.625 -7.291 1.00 21.23 C ATOM 0 H THR A 59 20.553 -8.515 -10.344 1.00 70.40 H new ATOM 0 HA THR A 59 18.914 -10.292 -8.993 1.00 44.32 H new ATOM 0 HB THR A 59 17.932 -7.957 -8.118 1.00 52.51 H new ATOM 0 HG1 THR A 59 19.580 -6.319 -8.430 1.00 2.32 H new ATOM 0 HG21 THR A 59 19.852 -7.804 -6.577 1.00 21.23 H new ATOM 0 HG22 THR A 59 19.325 -9.488 -6.808 1.00 21.23 H new ATOM 0 HG23 THR A 59 20.782 -8.890 -7.636 1.00 21.23 H new ATOM 890 N PRO A 60 16.438 -9.861 -9.525 1.00 13.21 N ATOM 891 CA PRO A 60 15.064 -9.874 -10.037 1.00 21.15 C ATOM 892 C PRO A 60 14.412 -8.497 -9.983 1.00 1.43 C ATOM 893 O PRO A 60 14.292 -7.897 -8.914 1.00 50.24 O ATOM 894 CB PRO A 60 14.344 -10.843 -9.095 1.00 64.44 C ATOM 895 CG PRO A 60 15.131 -10.798 -7.831 1.00 12.20 C ATOM 896 CD PRO A 60 16.560 -10.570 -8.240 1.00 13.30 C ATOM 0 HA PRO A 60 15.023 -10.167 -11.086 1.00 21.15 H new ATOM 0 HB2 PRO A 60 13.311 -10.539 -8.929 1.00 64.44 H new ATOM 0 HB3 PRO A 60 14.317 -11.851 -9.509 1.00 64.44 H new ATOM 0 HG2 PRO A 60 14.779 -9.997 -7.181 1.00 12.20 H new ATOM 0 HG3 PRO A 60 15.028 -11.729 -7.274 1.00 12.20 H new ATOM 0 HD2 PRO A 60 17.099 -9.975 -7.503 1.00 13.30 H new ATOM 0 HD3 PRO A 60 17.102 -11.510 -8.349 1.00 13.30 H new ATOM 904 N VAL A 61 13.992 -8.000 -11.142 1.00 71.20 N ATOM 905 CA VAL A 61 13.352 -6.693 -11.227 1.00 35.13 C ATOM 906 C VAL A 61 12.175 -6.719 -12.196 1.00 20.31 C ATOM 907 O VAL A 61 12.246 -7.335 -13.259 1.00 3.23 O ATOM 908 CB VAL A 61 14.348 -5.608 -11.676 1.00 1.25 C ATOM 909 CG1 VAL A 61 14.999 -5.993 -12.995 1.00 72.03 C ATOM 910 CG2 VAL A 61 13.652 -4.260 -11.788 1.00 41.22 C ATOM 0 H VAL A 61 14.084 -8.483 -12.036 1.00 71.20 H new ATOM 0 HA VAL A 61 12.991 -6.453 -10.227 1.00 35.13 H new ATOM 0 HB VAL A 61 15.132 -5.525 -10.923 1.00 1.25 H new ATOM 0 HG11 VAL A 61 15.700 -5.214 -13.296 1.00 72.03 H new ATOM 0 HG12 VAL A 61 15.534 -6.935 -12.876 1.00 72.03 H new ATOM 0 HG13 VAL A 61 14.231 -6.106 -13.760 1.00 72.03 H new ATOM 0 HG21 VAL A 61 14.371 -3.505 -12.106 1.00 41.22 H new ATOM 0 HG22 VAL A 61 12.847 -4.326 -12.520 1.00 41.22 H new ATOM 0 HG23 VAL A 61 13.239 -3.982 -10.818 1.00 41.22 H new ATOM 920 N GLY A 62 11.091 -6.046 -11.821 1.00 45.35 N ATOM 921 CA GLY A 62 9.914 -6.005 -12.668 1.00 52.15 C ATOM 922 C GLY A 62 8.735 -6.737 -12.058 1.00 61.01 C ATOM 923 O GLY A 62 8.906 -7.562 -11.160 1.00 55.40 O ATOM 0 H GLY A 62 11.008 -5.529 -10.946 1.00 45.35 H new ATOM 0 HA2 GLY A 62 9.638 -4.967 -12.851 1.00 52.15 H new ATOM 0 HA3 GLY A 62 10.151 -6.447 -13.636 1.00 52.15 H new ATOM 927 N ARG A 63 7.536 -6.434 -12.545 1.00 61.51 N ATOM 928 CA ARG A 63 6.324 -7.068 -12.040 1.00 22.22 C ATOM 929 C ARG A 63 5.425 -7.516 -13.189 1.00 2.43 C ATOM 930 O ARG A 63 4.841 -6.690 -13.892 1.00 35.14 O ATOM 931 CB ARG A 63 5.562 -6.106 -11.127 1.00 43.40 C ATOM 932 CG ARG A 63 6.175 -5.965 -9.743 1.00 43.44 C ATOM 933 CD ARG A 63 5.680 -4.711 -9.040 1.00 2.32 C ATOM 934 NE ARG A 63 6.092 -3.494 -9.735 1.00 72.22 N ATOM 935 CZ ARG A 63 5.814 -2.270 -9.301 1.00 43.10 C ATOM 936 NH1 ARG A 63 5.129 -2.100 -8.179 1.00 75.40 N ATOM 937 NH2 ARG A 63 6.223 -1.212 -9.989 1.00 44.15 N ATOM 0 H ARG A 63 7.378 -5.754 -13.288 1.00 61.51 H new ATOM 0 HA ARG A 63 6.616 -7.948 -11.466 1.00 22.22 H new ATOM 0 HB2 ARG A 63 5.523 -5.124 -11.599 1.00 43.40 H new ATOM 0 HB3 ARG A 63 4.533 -6.452 -11.026 1.00 43.40 H new ATOM 0 HG2 ARG A 63 5.928 -6.841 -9.143 1.00 43.44 H new ATOM 0 HG3 ARG A 63 7.261 -5.932 -9.827 1.00 43.44 H new ATOM 0 HD2 ARG A 63 4.592 -4.739 -8.972 1.00 2.32 H new ATOM 0 HD3 ARG A 63 6.063 -4.693 -8.020 1.00 2.32 H new ATOM 0 HE ARG A 63 6.622 -3.590 -10.601 1.00 72.22 H new ATOM 0 HH11 ARG A 63 4.814 -2.911 -7.646 1.00 75.40 H new ATOM 0 HH12 ARG A 63 4.917 -1.159 -7.848 1.00 75.40 H new ATOM 0 HH21 ARG A 63 6.752 -1.338 -10.852 1.00 44.15 H new ATOM 0 HH22 ARG A 63 6.009 -0.272 -9.655 1.00 44.15 H new ATOM 951 N LEU A 64 5.320 -8.827 -13.374 1.00 53.23 N ATOM 952 CA LEU A 64 4.491 -9.385 -14.437 1.00 41.24 C ATOM 953 C LEU A 64 3.019 -9.056 -14.210 1.00 1.01 C ATOM 954 O LEU A 64 2.626 -8.651 -13.116 1.00 14.42 O ATOM 955 CB LEU A 64 4.681 -10.901 -14.516 1.00 54.32 C ATOM 956 CG LEU A 64 3.899 -11.729 -13.496 1.00 13.32 C ATOM 957 CD1 LEU A 64 4.036 -13.213 -13.796 1.00 33.33 C ATOM 958 CD2 LEU A 64 4.374 -11.422 -12.083 1.00 44.02 C ATOM 0 H LEU A 64 5.798 -9.523 -12.802 1.00 53.23 H new ATOM 0 HA LEU A 64 4.802 -8.936 -15.380 1.00 41.24 H new ATOM 0 HB2 LEU A 64 4.398 -11.231 -15.516 1.00 54.32 H new ATOM 0 HB3 LEU A 64 5.742 -11.121 -14.396 1.00 54.32 H new ATOM 0 HG LEU A 64 2.845 -11.460 -13.570 1.00 13.32 H new ATOM 0 HD11 LEU A 64 3.473 -13.787 -13.060 1.00 33.33 H new ATOM 0 HD12 LEU A 64 3.646 -13.420 -14.793 1.00 33.33 H new ATOM 0 HD13 LEU A 64 5.087 -13.498 -13.751 1.00 33.33 H new ATOM 0 HD21 LEU A 64 3.806 -12.020 -11.370 1.00 44.02 H new ATOM 0 HD22 LEU A 64 5.434 -11.662 -11.995 1.00 44.02 H new ATOM 0 HD23 LEU A 64 4.223 -10.364 -11.870 1.00 44.02 H new ATOM 970 N ILE A 65 2.211 -9.235 -15.249 1.00 72.31 N ATOM 971 CA ILE A 65 0.782 -8.960 -15.161 1.00 60.42 C ATOM 972 C ILE A 65 -0.032 -10.246 -15.261 1.00 53.24 C ATOM 973 O ILE A 65 -1.047 -10.407 -14.582 1.00 3.42 O ATOM 974 CB ILE A 65 0.326 -7.990 -16.267 1.00 4.11 C ATOM 975 CG1 ILE A 65 1.099 -6.673 -16.170 1.00 2.10 C ATOM 976 CG2 ILE A 65 -1.171 -7.740 -16.168 1.00 71.12 C ATOM 977 CD1 ILE A 65 0.949 -5.981 -14.833 1.00 71.03 C ATOM 0 H ILE A 65 2.521 -9.569 -16.161 1.00 72.31 H new ATOM 0 HA ILE A 65 0.609 -8.497 -14.189 1.00 60.42 H new ATOM 0 HB ILE A 65 0.536 -8.443 -17.236 1.00 4.11 H new ATOM 0 HG12 ILE A 65 2.156 -6.867 -16.353 1.00 2.10 H new ATOM 0 HG13 ILE A 65 0.757 -6.002 -16.958 1.00 2.10 H new ATOM 0 HG21 ILE A 65 -1.478 -7.053 -16.956 1.00 71.12 H new ATOM 0 HG22 ILE A 65 -1.706 -8.683 -16.281 1.00 71.12 H new ATOM 0 HG23 ILE A 65 -1.404 -7.305 -15.196 1.00 71.12 H new ATOM 0 HD11 ILE A 65 1.524 -5.055 -14.836 1.00 71.03 H new ATOM 0 HD12 ILE A 65 -0.103 -5.755 -14.656 1.00 71.03 H new ATOM 0 HD13 ILE A 65 1.318 -6.634 -14.042 1.00 71.03 H new ATOM 989 N THR A 66 0.420 -11.161 -16.113 1.00 34.41 N ATOM 990 CA THR A 66 -0.267 -12.433 -16.303 1.00 42.14 C ATOM 991 C THR A 66 -0.519 -13.127 -14.970 1.00 4.13 C ATOM 992 O THR A 66 0.090 -12.785 -13.957 1.00 5.14 O ATOM 993 CB THR A 66 0.540 -13.376 -17.216 1.00 2.14 C ATOM 994 OG1 THR A 66 1.224 -12.619 -18.220 1.00 43.22 O ATOM 995 CG2 THR A 66 -0.370 -14.399 -17.877 1.00 35.30 C ATOM 0 H THR A 66 1.258 -11.045 -16.682 1.00 34.41 H new ATOM 0 HA THR A 66 -1.222 -12.208 -16.778 1.00 42.14 H new ATOM 0 HB THR A 66 1.268 -13.905 -16.602 1.00 2.14 H new ATOM 0 HG1 THR A 66 2.110 -12.362 -17.889 1.00 43.22 H new ATOM 0 HG21 THR A 66 0.222 -15.053 -18.517 1.00 35.30 H new ATOM 0 HG22 THR A 66 -0.867 -14.994 -17.110 1.00 35.30 H new ATOM 0 HG23 THR A 66 -1.119 -13.885 -18.479 1.00 35.30 H new ATOM 1003 N ALA A 67 -1.419 -14.104 -14.977 1.00 74.02 N ATOM 1004 CA ALA A 67 -1.750 -14.848 -13.768 1.00 3.21 C ATOM 1005 C ALA A 67 -0.796 -16.021 -13.567 1.00 75.15 C ATOM 1006 O ALA A 67 -0.159 -16.143 -12.522 1.00 71.44 O ATOM 1007 CB ALA A 67 -3.189 -15.338 -13.827 1.00 23.54 C ATOM 0 H ALA A 67 -1.933 -14.399 -15.807 1.00 74.02 H new ATOM 0 HA ALA A 67 -1.642 -14.176 -12.916 1.00 3.21 H new ATOM 0 HB1 ALA A 67 -3.422 -15.892 -12.918 1.00 23.54 H new ATOM 0 HB2 ALA A 67 -3.861 -14.484 -13.914 1.00 23.54 H new ATOM 0 HB3 ALA A 67 -3.316 -15.990 -14.691 1.00 23.54 H new ATOM 1013 N ASN A 68 -0.705 -16.882 -14.576 1.00 21.01 N ATOM 1014 CA ASN A 68 0.170 -18.047 -14.509 1.00 42.22 C ATOM 1015 C ASN A 68 0.373 -18.655 -15.894 1.00 3.42 C ATOM 1016 O ASN A 68 -0.167 -19.712 -16.220 1.00 51.55 O ATOM 1017 CB ASN A 68 -0.413 -19.096 -13.560 1.00 54.52 C ATOM 1018 CG ASN A 68 0.449 -20.340 -13.474 1.00 34.25 C ATOM 1019 OD1 ASN A 68 1.559 -20.378 -14.003 1.00 5.42 O ATOM 1020 ND2 ASN A 68 -0.061 -21.367 -12.804 1.00 33.33 N ATOM 0 H ASN A 68 -1.226 -16.795 -15.449 1.00 21.01 H new ATOM 0 HA ASN A 68 1.138 -17.721 -14.129 1.00 42.22 H new ATOM 0 HB2 ASN A 68 -0.521 -18.663 -12.566 1.00 54.52 H new ATOM 0 HB3 ASN A 68 -1.412 -19.372 -13.897 1.00 54.52 H new ATOM 0 HD21 ASN A 68 0.472 -22.232 -12.712 1.00 33.33 H new ATOM 0 HD22 ASN A 68 -0.986 -21.291 -12.381 1.00 33.33 H new ATOM 1027 N PRO A 69 1.172 -17.972 -16.728 1.00 74.22 N ATOM 1028 CA PRO A 69 1.466 -18.427 -18.090 1.00 41.55 C ATOM 1029 C PRO A 69 2.347 -19.671 -18.109 1.00 32.22 C ATOM 1030 O PRO A 69 3.450 -19.672 -17.562 1.00 50.44 O ATOM 1031 CB PRO A 69 2.207 -17.238 -18.708 1.00 60.13 C ATOM 1032 CG PRO A 69 2.809 -16.522 -17.549 1.00 31.55 C ATOM 1033 CD PRO A 69 1.849 -16.705 -16.406 1.00 13.02 C ATOM 0 HA PRO A 69 0.562 -18.711 -18.629 1.00 41.55 H new ATOM 0 HB2 PRO A 69 2.973 -17.570 -19.409 1.00 60.13 H new ATOM 0 HB3 PRO A 69 1.526 -16.592 -19.262 1.00 60.13 H new ATOM 0 HG2 PRO A 69 3.790 -16.930 -17.304 1.00 31.55 H new ATOM 0 HG3 PRO A 69 2.951 -15.465 -17.774 1.00 31.55 H new ATOM 0 HD2 PRO A 69 2.369 -16.759 -15.449 1.00 13.02 H new ATOM 0 HD3 PRO A 69 1.142 -15.878 -16.338 1.00 13.02 H new ATOM 1041 N VAL A 70 1.853 -20.731 -18.741 1.00 53.13 N ATOM 1042 CA VAL A 70 2.596 -21.982 -18.832 1.00 35.22 C ATOM 1043 C VAL A 70 2.279 -22.717 -20.130 1.00 10.43 C ATOM 1044 O VAL A 70 1.286 -22.422 -20.795 1.00 53.41 O ATOM 1045 CB VAL A 70 2.283 -22.908 -17.641 1.00 75.24 C ATOM 1046 CG1 VAL A 70 2.554 -22.196 -16.325 1.00 65.30 C ATOM 1047 CG2 VAL A 70 0.842 -23.392 -17.708 1.00 12.23 C ATOM 0 H VAL A 70 0.941 -20.748 -19.198 1.00 53.13 H new ATOM 0 HA VAL A 70 3.655 -21.723 -18.814 1.00 35.22 H new ATOM 0 HB VAL A 70 2.938 -23.778 -17.697 1.00 75.24 H new ATOM 0 HG11 VAL A 70 2.327 -22.866 -15.496 1.00 65.30 H new ATOM 0 HG12 VAL A 70 3.603 -21.904 -16.279 1.00 65.30 H new ATOM 0 HG13 VAL A 70 1.926 -21.308 -16.256 1.00 65.30 H new ATOM 0 HG21 VAL A 70 0.638 -24.045 -16.859 1.00 12.23 H new ATOM 0 HG22 VAL A 70 0.169 -22.535 -17.677 1.00 12.23 H new ATOM 0 HG23 VAL A 70 0.686 -23.943 -18.635 1.00 12.23 H new ATOM 1057 N ILE A 71 3.129 -23.674 -20.484 1.00 22.33 N ATOM 1058 CA ILE A 71 2.939 -24.452 -21.702 1.00 4.30 C ATOM 1059 C ILE A 71 2.114 -25.705 -21.431 1.00 52.14 C ATOM 1060 O ILE A 71 2.622 -26.695 -20.905 1.00 32.44 O ATOM 1061 CB ILE A 71 4.287 -24.863 -22.323 1.00 44.22 C ATOM 1062 CG1 ILE A 71 5.209 -23.647 -22.447 1.00 34.41 C ATOM 1063 CG2 ILE A 71 4.069 -25.509 -23.683 1.00 73.10 C ATOM 1064 CD1 ILE A 71 4.618 -22.523 -23.269 1.00 24.11 C ATOM 0 H ILE A 71 3.956 -23.930 -19.945 1.00 22.33 H new ATOM 0 HA ILE A 71 2.404 -23.813 -22.404 1.00 4.30 H new ATOM 0 HB ILE A 71 4.764 -25.592 -21.668 1.00 44.22 H new ATOM 0 HG12 ILE A 71 5.441 -23.274 -21.450 1.00 34.41 H new ATOM 0 HG13 ILE A 71 6.151 -23.960 -22.898 1.00 34.41 H new ATOM 0 HG21 ILE A 71 5.031 -25.794 -24.109 1.00 73.10 H new ATOM 0 HG22 ILE A 71 3.446 -26.396 -23.569 1.00 73.10 H new ATOM 0 HG23 ILE A 71 3.574 -24.801 -24.347 1.00 73.10 H new ATOM 0 HD11 ILE A 71 5.325 -21.695 -23.315 1.00 24.11 H new ATOM 0 HD12 ILE A 71 4.412 -22.880 -24.278 1.00 24.11 H new ATOM 0 HD13 ILE A 71 3.691 -22.183 -22.807 1.00 24.11 H new ATOM 1076 N THR A 72 0.837 -25.656 -21.797 1.00 15.00 N ATOM 1077 CA THR A 72 -0.060 -26.787 -21.596 1.00 62.40 C ATOM 1078 C THR A 72 0.048 -27.785 -22.743 1.00 64.24 C ATOM 1079 O THR A 72 -0.055 -28.994 -22.538 1.00 3.12 O ATOM 1080 CB THR A 72 -1.524 -26.328 -21.467 1.00 14.22 C ATOM 1081 OG1 THR A 72 -1.743 -25.159 -22.264 1.00 50.41 O ATOM 1082 CG2 THR A 72 -1.872 -26.031 -20.016 1.00 54.10 C ATOM 0 H THR A 72 0.401 -24.844 -22.234 1.00 15.00 H new ATOM 0 HA THR A 72 0.245 -27.270 -20.667 1.00 62.40 H new ATOM 0 HB THR A 72 -2.167 -27.134 -21.821 1.00 14.22 H new ATOM 0 HG1 THR A 72 -1.303 -25.268 -23.133 1.00 50.41 H new ATOM 0 HG21 THR A 72 -2.911 -25.709 -19.950 1.00 54.10 H new ATOM 0 HG22 THR A 72 -1.732 -26.931 -19.417 1.00 54.10 H new ATOM 0 HG23 THR A 72 -1.222 -25.241 -19.640 1.00 54.10 H new ATOM 1090 N GLU A 73 0.257 -27.271 -23.951 1.00 44.23 N ATOM 1091 CA GLU A 73 0.378 -28.119 -25.131 1.00 40.34 C ATOM 1092 C GLU A 73 1.423 -29.209 -24.913 1.00 60.14 C ATOM 1093 O GLU A 73 2.340 -29.052 -24.108 1.00 24.42 O ATOM 1094 CB GLU A 73 0.750 -27.278 -26.355 1.00 33.12 C ATOM 1095 CG GLU A 73 -0.370 -26.369 -26.831 1.00 53.44 C ATOM 1096 CD GLU A 73 -1.374 -27.090 -27.709 1.00 72.24 C ATOM 1097 OE1 GLU A 73 -0.964 -27.628 -28.759 1.00 73.23 O ATOM 1098 OE2 GLU A 73 -2.569 -27.117 -27.347 1.00 42.22 O ATOM 0 H GLU A 73 0.346 -26.272 -24.138 1.00 44.23 H new ATOM 0 HA GLU A 73 -0.587 -28.595 -25.305 1.00 40.34 H new ATOM 0 HB2 GLU A 73 1.623 -26.671 -26.116 1.00 33.12 H new ATOM 0 HB3 GLU A 73 1.037 -27.943 -27.169 1.00 33.12 H new ATOM 0 HG2 GLU A 73 -0.884 -25.950 -25.966 1.00 53.44 H new ATOM 0 HG3 GLU A 73 0.057 -25.533 -27.385 1.00 53.44 H new ATOM 1105 N SER A 74 1.276 -30.314 -25.637 1.00 62.40 N ATOM 1106 CA SER A 74 2.204 -31.433 -25.521 1.00 5.01 C ATOM 1107 C SER A 74 3.374 -31.271 -26.487 1.00 2.31 C ATOM 1108 O SER A 74 4.510 -31.626 -26.171 1.00 43.11 O ATOM 1109 CB SER A 74 1.482 -32.753 -25.794 1.00 72.45 C ATOM 1110 OG SER A 74 0.793 -32.711 -27.032 1.00 64.04 O ATOM 0 H SER A 74 0.523 -30.458 -26.310 1.00 62.40 H new ATOM 0 HA SER A 74 2.594 -31.445 -24.503 1.00 5.01 H new ATOM 0 HB2 SER A 74 2.203 -33.570 -25.803 1.00 72.45 H new ATOM 0 HB3 SER A 74 0.777 -32.959 -24.989 1.00 72.45 H new ATOM 0 HG SER A 74 0.341 -33.567 -27.184 1.00 64.04 H new ATOM 1116 N THR A 75 3.088 -30.731 -27.668 1.00 30.02 N ATOM 1117 CA THR A 75 4.114 -30.522 -28.682 1.00 30.34 C ATOM 1118 C THR A 75 5.295 -29.742 -28.116 1.00 23.30 C ATOM 1119 O THR A 75 5.240 -29.244 -26.992 1.00 40.24 O ATOM 1120 CB THR A 75 3.553 -29.768 -29.902 1.00 33.50 C ATOM 1121 OG1 THR A 75 2.517 -28.870 -29.489 1.00 2.20 O ATOM 1122 CG2 THR A 75 3.004 -30.742 -30.934 1.00 63.12 C ATOM 0 H THR A 75 2.154 -30.430 -27.946 1.00 30.02 H new ATOM 0 HA THR A 75 4.452 -31.509 -28.998 1.00 30.34 H new ATOM 0 HB THR A 75 4.366 -29.201 -30.356 1.00 33.50 H new ATOM 0 HG1 THR A 75 2.167 -28.393 -30.270 1.00 2.20 H new ATOM 0 HG21 THR A 75 2.613 -30.187 -31.787 1.00 63.12 H new ATOM 0 HG22 THR A 75 3.801 -31.406 -31.268 1.00 63.12 H new ATOM 0 HG23 THR A 75 2.204 -31.332 -30.488 1.00 63.12 H new ATOM 1130 N GLU A 76 6.362 -29.640 -28.902 1.00 63.53 N ATOM 1131 CA GLU A 76 7.557 -28.920 -28.478 1.00 50.00 C ATOM 1132 C GLU A 76 7.642 -27.558 -29.160 1.00 52.34 C ATOM 1133 O GLU A 76 6.870 -27.258 -30.070 1.00 72.52 O ATOM 1134 CB GLU A 76 8.811 -29.738 -28.791 1.00 63.51 C ATOM 1135 CG GLU A 76 9.130 -30.790 -27.741 1.00 41.52 C ATOM 1136 CD GLU A 76 10.310 -31.661 -28.127 1.00 55.22 C ATOM 1137 OE1 GLU A 76 10.083 -32.821 -28.529 1.00 35.52 O ATOM 1138 OE2 GLU A 76 11.459 -31.183 -28.028 1.00 13.24 O ATOM 0 H GLU A 76 6.423 -30.047 -29.835 1.00 63.53 H new ATOM 0 HA GLU A 76 7.493 -28.765 -27.401 1.00 50.00 H new ATOM 0 HB2 GLU A 76 8.684 -30.228 -29.757 1.00 63.51 H new ATOM 0 HB3 GLU A 76 9.661 -29.062 -28.886 1.00 63.51 H new ATOM 0 HG2 GLU A 76 9.342 -30.298 -26.792 1.00 41.52 H new ATOM 0 HG3 GLU A 76 8.254 -31.420 -27.585 1.00 41.52 H new ATOM 1145 N ASN A 77 8.586 -26.736 -28.713 1.00 32.11 N ATOM 1146 CA ASN A 77 8.772 -25.405 -29.279 1.00 53.01 C ATOM 1147 C ASN A 77 7.489 -24.586 -29.175 1.00 51.41 C ATOM 1148 O ASN A 77 7.121 -23.869 -30.106 1.00 1.55 O ATOM 1149 CB ASN A 77 9.208 -25.507 -30.742 1.00 41.40 C ATOM 1150 CG ASN A 77 10.677 -25.857 -30.884 1.00 53.33 C ATOM 1151 OD1 ASN A 77 11.495 -25.012 -31.248 1.00 62.35 O ATOM 1152 ND2 ASN A 77 11.017 -27.108 -30.597 1.00 0.21 N ATOM 0 H ASN A 77 9.234 -26.968 -27.960 1.00 32.11 H new ATOM 0 HA ASN A 77 9.552 -24.900 -28.709 1.00 53.01 H new ATOM 0 HB2 ASN A 77 8.607 -26.264 -31.246 1.00 41.40 H new ATOM 0 HB3 ASN A 77 9.013 -24.559 -31.243 1.00 41.40 H new ATOM 0 HD21 ASN A 77 11.990 -27.402 -30.675 1.00 0.21 H new ATOM 0 HD22 ASN A 77 10.305 -27.775 -30.299 1.00 0.21 H new ATOM 1159 N SER A 78 6.813 -24.697 -28.036 1.00 74.33 N ATOM 1160 CA SER A 78 5.569 -23.970 -27.812 1.00 34.34 C ATOM 1161 C SER A 78 5.847 -22.511 -27.465 1.00 3.11 C ATOM 1162 O SER A 78 6.982 -22.136 -27.168 1.00 31.54 O ATOM 1163 CB SER A 78 4.764 -24.628 -26.689 1.00 22.41 C ATOM 1164 OG SER A 78 4.583 -26.012 -26.935 1.00 72.11 O ATOM 0 H SER A 78 7.106 -25.283 -27.254 1.00 74.33 H new ATOM 0 HA SER A 78 4.988 -24.002 -28.734 1.00 34.34 H new ATOM 0 HB2 SER A 78 5.279 -24.489 -25.738 1.00 22.41 H new ATOM 0 HB3 SER A 78 3.793 -24.141 -26.600 1.00 22.41 H new ATOM 0 HG SER A 78 5.368 -26.506 -26.618 1.00 72.11 H new ATOM 1170 N LYS A 79 4.803 -21.690 -27.505 1.00 62.14 N ATOM 1171 CA LYS A 79 4.932 -20.271 -27.195 1.00 63.22 C ATOM 1172 C LYS A 79 3.957 -19.864 -26.095 1.00 43.23 C ATOM 1173 O LYS A 79 3.040 -20.612 -25.758 1.00 51.41 O ATOM 1174 CB LYS A 79 4.684 -19.429 -28.449 1.00 21.41 C ATOM 1175 CG LYS A 79 5.404 -19.948 -29.682 1.00 2.42 C ATOM 1176 CD LYS A 79 6.912 -19.827 -29.539 1.00 1.21 C ATOM 1177 CE LYS A 79 7.623 -20.150 -30.844 1.00 24.11 C ATOM 1178 NZ LYS A 79 7.498 -19.044 -31.833 1.00 14.01 N ATOM 0 H LYS A 79 3.857 -21.983 -27.749 1.00 62.14 H new ATOM 0 HA LYS A 79 5.947 -20.093 -26.841 1.00 63.22 H new ATOM 0 HB2 LYS A 79 3.613 -19.398 -28.650 1.00 21.41 H new ATOM 0 HB3 LYS A 79 5.002 -18.404 -28.257 1.00 21.41 H new ATOM 0 HG2 LYS A 79 5.136 -20.991 -29.849 1.00 2.42 H new ATOM 0 HG3 LYS A 79 5.075 -19.390 -30.559 1.00 2.42 H new ATOM 0 HD2 LYS A 79 7.169 -18.816 -29.224 1.00 1.21 H new ATOM 0 HD3 LYS A 79 7.260 -20.502 -28.757 1.00 1.21 H new ATOM 0 HE2 LYS A 79 8.677 -20.342 -30.645 1.00 24.11 H new ATOM 0 HE3 LYS A 79 7.207 -21.064 -31.267 1.00 24.11 H new ATOM 0 HZ1 LYS A 79 8.391 -18.945 -32.357 1.00 14.01 H new ATOM 0 HZ2 LYS A 79 6.728 -19.258 -32.498 1.00 14.01 H new ATOM 0 HZ3 LYS A 79 7.288 -18.155 -31.335 1.00 14.01 H new ATOM 1192 N MET A 80 4.162 -18.673 -25.541 1.00 35.42 N ATOM 1193 CA MET A 80 3.297 -18.166 -24.481 1.00 44.24 C ATOM 1194 C MET A 80 3.242 -16.642 -24.509 1.00 14.32 C ATOM 1195 O MET A 80 4.255 -15.978 -24.724 1.00 64.34 O ATOM 1196 CB MET A 80 3.793 -18.645 -23.116 1.00 23.22 C ATOM 1197 CG MET A 80 2.745 -18.547 -22.020 1.00 13.03 C ATOM 1198 SD MET A 80 1.373 -19.691 -22.267 1.00 13.54 S ATOM 1199 CE MET A 80 -0.005 -18.550 -22.364 1.00 31.20 C ATOM 0 H MET A 80 4.918 -18.042 -25.808 1.00 35.42 H new ATOM 0 HA MET A 80 2.292 -18.552 -24.650 1.00 44.24 H new ATOM 0 HB2 MET A 80 4.122 -19.681 -23.201 1.00 23.22 H new ATOM 0 HB3 MET A 80 4.664 -18.056 -22.828 1.00 23.22 H new ATOM 0 HG2 MET A 80 3.213 -18.749 -21.056 1.00 13.03 H new ATOM 0 HG3 MET A 80 2.361 -17.528 -21.980 1.00 13.03 H new ATOM 0 HE1 MET A 80 -0.922 -19.062 -22.074 1.00 31.20 H new ATOM 0 HE2 MET A 80 0.170 -17.710 -21.692 1.00 31.20 H new ATOM 0 HE3 MET A 80 -0.102 -18.183 -23.386 1.00 31.20 H new ATOM 1209 N MET A 81 2.051 -16.094 -24.289 1.00 50.54 N ATOM 1210 CA MET A 81 1.864 -14.647 -24.289 1.00 64.20 C ATOM 1211 C MET A 81 1.659 -14.126 -22.870 1.00 42.23 C ATOM 1212 O MET A 81 0.737 -14.547 -22.171 1.00 1.05 O ATOM 1213 CB MET A 81 0.668 -14.266 -25.163 1.00 41.41 C ATOM 1214 CG MET A 81 0.269 -12.804 -25.043 1.00 2.24 C ATOM 1215 SD MET A 81 -1.107 -12.368 -26.123 1.00 35.35 S ATOM 1216 CE MET A 81 -2.489 -12.535 -24.994 1.00 44.24 C ATOM 0 H MET A 81 1.202 -16.629 -24.109 1.00 50.54 H new ATOM 0 HA MET A 81 2.764 -14.189 -24.699 1.00 64.20 H new ATOM 0 HB2 MET A 81 0.905 -14.485 -26.204 1.00 41.41 H new ATOM 0 HB3 MET A 81 -0.183 -14.890 -24.891 1.00 41.41 H new ATOM 0 HG2 MET A 81 -0.003 -12.590 -24.010 1.00 2.24 H new ATOM 0 HG3 MET A 81 1.127 -12.176 -25.283 1.00 2.24 H new ATOM 0 HE1 MET A 81 -3.416 -12.297 -25.516 1.00 44.24 H new ATOM 0 HE2 MET A 81 -2.534 -13.559 -24.623 1.00 44.24 H new ATOM 0 HE3 MET A 81 -2.359 -11.850 -24.156 1.00 44.24 H new ATOM 1226 N LEU A 82 2.524 -13.208 -22.451 1.00 75.23 N ATOM 1227 CA LEU A 82 2.438 -12.630 -21.115 1.00 13.03 C ATOM 1228 C LEU A 82 2.886 -11.172 -21.122 1.00 63.22 C ATOM 1229 O LEU A 82 3.770 -10.789 -21.888 1.00 73.13 O ATOM 1230 CB LEU A 82 3.293 -13.434 -20.134 1.00 43.30 C ATOM 1231 CG LEU A 82 4.426 -14.256 -20.749 1.00 72.55 C ATOM 1232 CD1 LEU A 82 5.563 -14.428 -19.754 1.00 41.54 C ATOM 1233 CD2 LEU A 82 3.910 -15.612 -21.211 1.00 43.22 C ATOM 0 H LEU A 82 3.292 -12.849 -23.017 1.00 75.23 H new ATOM 0 HA LEU A 82 1.397 -12.669 -20.796 1.00 13.03 H new ATOM 0 HB2 LEU A 82 3.724 -12.744 -19.409 1.00 43.30 H new ATOM 0 HB3 LEU A 82 2.639 -14.109 -19.582 1.00 43.30 H new ATOM 0 HG LEU A 82 4.809 -13.719 -21.617 1.00 72.55 H new ATOM 0 HD11 LEU A 82 6.360 -15.016 -20.210 1.00 41.54 H new ATOM 0 HD12 LEU A 82 5.950 -13.449 -19.471 1.00 41.54 H new ATOM 0 HD13 LEU A 82 5.195 -14.943 -18.866 1.00 41.54 H new ATOM 0 HD21 LEU A 82 4.729 -16.184 -21.646 1.00 43.22 H new ATOM 0 HD22 LEU A 82 3.501 -16.155 -20.359 1.00 43.22 H new ATOM 0 HD23 LEU A 82 3.130 -15.469 -21.959 1.00 43.22 H new ATOM 1245 N GLU A 83 2.272 -10.365 -20.263 1.00 3.13 N ATOM 1246 CA GLU A 83 2.610 -8.949 -20.171 1.00 31.33 C ATOM 1247 C GLU A 83 3.401 -8.660 -18.898 1.00 62.32 C ATOM 1248 O GLU A 83 3.270 -9.367 -17.898 1.00 22.20 O ATOM 1249 CB GLU A 83 1.340 -8.096 -20.199 1.00 71.43 C ATOM 1250 CG GLU A 83 0.505 -8.289 -21.454 1.00 64.24 C ATOM 1251 CD GLU A 83 -0.304 -7.058 -21.812 1.00 2.31 C ATOM 1252 OE1 GLU A 83 -1.285 -6.765 -21.096 1.00 43.13 O ATOM 1253 OE2 GLU A 83 0.043 -6.387 -22.806 1.00 61.24 O ATOM 0 H GLU A 83 1.539 -10.667 -19.621 1.00 3.13 H new ATOM 0 HA GLU A 83 3.230 -8.693 -21.030 1.00 31.33 H new ATOM 0 HB2 GLU A 83 0.731 -8.337 -19.327 1.00 71.43 H new ATOM 0 HB3 GLU A 83 1.616 -7.045 -20.115 1.00 71.43 H new ATOM 0 HG2 GLU A 83 1.161 -8.543 -22.287 1.00 64.24 H new ATOM 0 HG3 GLU A 83 -0.169 -9.133 -21.311 1.00 64.24 H new ATOM 1260 N LEU A 84 4.223 -7.617 -18.944 1.00 32.52 N ATOM 1261 CA LEU A 84 5.036 -7.234 -17.795 1.00 43.32 C ATOM 1262 C LEU A 84 4.899 -5.743 -17.505 1.00 10.44 C ATOM 1263 O LEU A 84 4.646 -4.945 -18.407 1.00 51.25 O ATOM 1264 CB LEU A 84 6.504 -7.583 -18.046 1.00 23.04 C ATOM 1265 CG LEU A 84 6.824 -9.071 -18.197 1.00 52.35 C ATOM 1266 CD1 LEU A 84 6.498 -9.546 -19.605 1.00 12.41 C ATOM 1267 CD2 LEU A 84 8.285 -9.339 -17.867 1.00 52.21 C ATOM 0 H LEU A 84 4.344 -7.022 -19.764 1.00 32.52 H new ATOM 0 HA LEU A 84 4.680 -7.789 -16.927 1.00 43.32 H new ATOM 0 HB2 LEU A 84 6.830 -7.068 -18.950 1.00 23.04 H new ATOM 0 HB3 LEU A 84 7.097 -7.186 -17.222 1.00 23.04 H new ATOM 0 HG LEU A 84 6.206 -9.629 -17.494 1.00 52.35 H new ATOM 0 HD11 LEU A 84 6.732 -10.607 -19.694 1.00 12.41 H new ATOM 0 HD12 LEU A 84 5.438 -9.390 -19.805 1.00 12.41 H new ATOM 0 HD13 LEU A 84 7.090 -8.982 -20.326 1.00 12.41 H new ATOM 0 HD21 LEU A 84 8.494 -10.403 -17.980 1.00 52.21 H new ATOM 0 HD22 LEU A 84 8.921 -8.770 -18.545 1.00 52.21 H new ATOM 0 HD23 LEU A 84 8.487 -9.036 -16.840 1.00 52.21 H new ATOM 1279 N ASP A 85 5.070 -5.374 -16.240 1.00 14.40 N ATOM 1280 CA ASP A 85 4.966 -3.978 -15.830 1.00 44.22 C ATOM 1281 C ASP A 85 6.191 -3.556 -15.023 1.00 74.54 C ATOM 1282 O ASP A 85 6.127 -3.359 -13.810 1.00 13.41 O ATOM 1283 CB ASP A 85 3.697 -3.759 -15.006 1.00 52.40 C ATOM 1284 CG ASP A 85 3.346 -2.291 -14.863 1.00 13.30 C ATOM 1285 OD1 ASP A 85 4.227 -1.442 -15.115 1.00 20.21 O ATOM 1286 OD2 ASP A 85 2.189 -1.990 -14.500 1.00 25.31 O ATOM 0 H ASP A 85 5.281 -6.022 -15.481 1.00 14.40 H new ATOM 0 HA ASP A 85 4.916 -3.364 -16.729 1.00 44.22 H new ATOM 0 HB2 ASP A 85 2.866 -4.284 -15.477 1.00 52.40 H new ATOM 0 HB3 ASP A 85 3.830 -4.196 -14.016 1.00 52.40 H new ATOM 1291 N PRO A 86 7.334 -3.417 -15.711 1.00 54.42 N ATOM 1292 CA PRO A 86 8.594 -3.018 -15.079 1.00 25.25 C ATOM 1293 C PRO A 86 8.578 -1.564 -14.619 1.00 65.22 C ATOM 1294 O PRO A 86 7.694 -0.785 -14.975 1.00 32.41 O ATOM 1295 CB PRO A 86 9.627 -3.216 -16.191 1.00 25.34 C ATOM 1296 CG PRO A 86 8.851 -3.088 -17.456 1.00 4.12 C ATOM 1297 CD PRO A 86 7.483 -3.636 -17.160 1.00 31.24 C ATOM 0 HA PRO A 86 8.800 -3.598 -14.179 1.00 25.25 H new ATOM 0 HB2 PRO A 86 10.418 -2.468 -16.134 1.00 25.34 H new ATOM 0 HB3 PRO A 86 10.106 -4.192 -16.117 1.00 25.34 H new ATOM 0 HG2 PRO A 86 8.794 -2.047 -17.775 1.00 4.12 H new ATOM 0 HG3 PRO A 86 9.327 -3.643 -18.264 1.00 4.12 H new ATOM 0 HD2 PRO A 86 6.711 -3.116 -17.727 1.00 31.24 H new ATOM 0 HD3 PRO A 86 7.409 -4.693 -17.416 1.00 31.24 H new ATOM 1305 N PRO A 87 9.580 -1.187 -13.810 1.00 72.32 N ATOM 1306 CA PRO A 87 9.703 0.176 -13.286 1.00 1.03 C ATOM 1307 C PRO A 87 10.069 1.184 -14.370 1.00 63.51 C ATOM 1308 O PRO A 87 10.068 0.860 -15.558 1.00 71.01 O ATOM 1309 CB PRO A 87 10.833 0.060 -12.260 1.00 2.33 C ATOM 1310 CG PRO A 87 11.642 -1.104 -12.717 1.00 31.45 C ATOM 1311 CD PRO A 87 10.669 -2.063 -13.346 1.00 11.22 C ATOM 0 HA PRO A 87 8.764 0.538 -12.868 1.00 1.03 H new ATOM 0 HB2 PRO A 87 11.432 0.970 -12.227 1.00 2.33 H new ATOM 0 HB3 PRO A 87 10.441 -0.100 -11.256 1.00 2.33 H new ATOM 0 HG2 PRO A 87 12.402 -0.794 -13.434 1.00 31.45 H new ATOM 0 HG3 PRO A 87 12.163 -1.569 -11.881 1.00 31.45 H new ATOM 0 HD2 PRO A 87 11.122 -2.612 -14.171 1.00 11.22 H new ATOM 0 HD3 PRO A 87 10.312 -2.802 -12.629 1.00 11.22 H new ATOM 1319 N PHE A 88 10.383 2.406 -13.954 1.00 20.00 N ATOM 1320 CA PHE A 88 10.753 3.461 -14.890 1.00 73.14 C ATOM 1321 C PHE A 88 12.264 3.503 -15.094 1.00 24.44 C ATOM 1322 O PHE A 88 13.033 3.417 -14.137 1.00 20.51 O ATOM 1323 CB PHE A 88 10.257 4.817 -14.385 1.00 41.40 C ATOM 1324 CG PHE A 88 10.791 5.184 -13.030 1.00 32.44 C ATOM 1325 CD1 PHE A 88 10.074 4.881 -11.883 1.00 52.23 C ATOM 1326 CD2 PHE A 88 12.009 5.831 -12.902 1.00 63.30 C ATOM 1327 CE1 PHE A 88 10.562 5.216 -10.634 1.00 42.44 C ATOM 1328 CE2 PHE A 88 12.503 6.168 -11.656 1.00 31.01 C ATOM 1329 CZ PHE A 88 11.778 5.862 -10.521 1.00 31.42 C ATOM 0 H PHE A 88 10.389 2.690 -12.974 1.00 20.00 H new ATOM 0 HA PHE A 88 10.281 3.243 -15.848 1.00 73.14 H new ATOM 0 HB2 PHE A 88 10.542 5.589 -15.100 1.00 41.40 H new ATOM 0 HB3 PHE A 88 9.168 4.805 -14.346 1.00 41.40 H new ATOM 0 HD1 PHE A 88 9.122 4.377 -11.966 1.00 52.23 H new ATOM 0 HD2 PHE A 88 12.579 6.075 -13.786 1.00 63.30 H new ATOM 0 HE1 PHE A 88 9.994 4.973 -9.748 1.00 42.44 H new ATOM 0 HE2 PHE A 88 13.455 6.670 -11.570 1.00 31.01 H new ATOM 0 HZ PHE A 88 12.161 6.127 -9.547 1.00 31.42 H new ATOM 1339 N GLY A 89 12.684 3.635 -16.349 1.00 33.15 N ATOM 1340 CA GLY A 89 14.101 3.686 -16.656 1.00 21.43 C ATOM 1341 C GLY A 89 14.507 2.657 -17.693 1.00 12.14 C ATOM 1342 O GLY A 89 13.733 2.337 -18.595 1.00 42.44 O ATOM 0 H GLY A 89 12.068 3.707 -17.158 1.00 33.15 H new ATOM 0 HA2 GLY A 89 14.356 4.682 -17.018 1.00 21.43 H new ATOM 0 HA3 GLY A 89 14.674 3.523 -15.743 1.00 21.43 H new ATOM 1346 N ASP A 90 15.723 2.139 -17.565 1.00 23.10 N ATOM 1347 CA ASP A 90 16.231 1.141 -18.500 1.00 2.25 C ATOM 1348 C ASP A 90 16.375 -0.217 -17.820 1.00 1.24 C ATOM 1349 O ASP A 90 16.505 -0.300 -16.598 1.00 54.03 O ATOM 1350 CB ASP A 90 17.579 1.585 -19.070 1.00 1.31 C ATOM 1351 CG ASP A 90 18.525 2.088 -17.997 1.00 32.44 C ATOM 1352 OD1 ASP A 90 19.317 1.275 -17.476 1.00 24.31 O ATOM 1353 OD2 ASP A 90 18.473 3.294 -17.678 1.00 31.30 O ATOM 0 H ASP A 90 16.376 2.393 -16.823 1.00 23.10 H new ATOM 0 HA ASP A 90 15.514 1.045 -19.315 1.00 2.25 H new ATOM 0 HB2 ASP A 90 18.041 0.749 -19.595 1.00 1.31 H new ATOM 0 HB3 ASP A 90 17.417 2.373 -19.806 1.00 1.31 H new ATOM 1358 N SER A 91 16.351 -1.279 -18.619 1.00 15.43 N ATOM 1359 CA SER A 91 16.473 -2.633 -18.094 1.00 25.43 C ATOM 1360 C SER A 91 16.786 -3.623 -19.212 1.00 72.10 C ATOM 1361 O SER A 91 16.829 -3.257 -20.387 1.00 12.54 O ATOM 1362 CB SER A 91 15.185 -3.045 -17.378 1.00 42.33 C ATOM 1363 OG SER A 91 15.206 -2.644 -16.019 1.00 43.33 O ATOM 0 H SER A 91 16.248 -1.227 -19.632 1.00 15.43 H new ATOM 0 HA SER A 91 17.296 -2.646 -17.380 1.00 25.43 H new ATOM 0 HB2 SER A 91 14.327 -2.597 -17.879 1.00 42.33 H new ATOM 0 HB3 SER A 91 15.061 -4.126 -17.439 1.00 42.33 H new ATOM 0 HG SER A 91 15.650 -1.774 -15.942 1.00 43.33 H new ATOM 1369 N TYR A 92 17.003 -4.879 -18.838 1.00 60.11 N ATOM 1370 CA TYR A 92 17.314 -5.923 -19.808 1.00 54.50 C ATOM 1371 C TYR A 92 16.495 -7.181 -19.535 1.00 42.13 C ATOM 1372 O TYR A 92 16.793 -7.940 -18.612 1.00 55.04 O ATOM 1373 CB TYR A 92 18.806 -6.254 -19.772 1.00 4.22 C ATOM 1374 CG TYR A 92 19.665 -5.261 -20.523 1.00 23.53 C ATOM 1375 CD1 TYR A 92 20.286 -4.209 -19.860 1.00 74.15 C ATOM 1376 CD2 TYR A 92 19.856 -5.375 -21.894 1.00 73.42 C ATOM 1377 CE1 TYR A 92 21.071 -3.300 -20.542 1.00 53.44 C ATOM 1378 CE2 TYR A 92 20.640 -4.472 -22.584 1.00 2.50 C ATOM 1379 CZ TYR A 92 21.245 -3.435 -21.904 1.00 23.32 C ATOM 1380 OH TYR A 92 22.026 -2.532 -22.588 1.00 3.04 O ATOM 0 H TYR A 92 16.969 -5.199 -17.870 1.00 60.11 H new ATOM 0 HA TYR A 92 17.056 -5.551 -20.800 1.00 54.50 H new ATOM 0 HB2 TYR A 92 19.136 -6.295 -18.734 1.00 4.22 H new ATOM 0 HB3 TYR A 92 18.960 -7.247 -20.194 1.00 4.22 H new ATOM 0 HD1 TYR A 92 20.152 -4.101 -18.794 1.00 74.15 H new ATOM 0 HD2 TYR A 92 19.383 -6.184 -22.430 1.00 73.42 H new ATOM 0 HE1 TYR A 92 21.546 -2.488 -20.012 1.00 53.44 H new ATOM 0 HE2 TYR A 92 20.779 -4.577 -23.650 1.00 2.50 H new ATOM 0 HH TYR A 92 22.046 -2.771 -23.538 1.00 3.04 H new ATOM 1390 N ILE A 93 15.464 -7.395 -20.345 1.00 52.12 N ATOM 1391 CA ILE A 93 14.603 -8.561 -20.193 1.00 13.02 C ATOM 1392 C ILE A 93 15.350 -9.845 -20.538 1.00 13.13 C ATOM 1393 O ILE A 93 15.647 -10.109 -21.703 1.00 31.22 O ATOM 1394 CB ILE A 93 13.349 -8.455 -21.081 1.00 62.24 C ATOM 1395 CG1 ILE A 93 12.558 -7.192 -20.737 1.00 1.34 C ATOM 1396 CG2 ILE A 93 12.479 -9.692 -20.919 1.00 70.41 C ATOM 1397 CD1 ILE A 93 11.588 -6.772 -21.819 1.00 2.12 C ATOM 0 H ILE A 93 15.205 -6.776 -21.113 1.00 52.12 H new ATOM 0 HA ILE A 93 14.296 -8.592 -19.148 1.00 13.02 H new ATOM 0 HB ILE A 93 13.664 -8.390 -22.122 1.00 62.24 H new ATOM 0 HG12 ILE A 93 12.007 -7.359 -19.812 1.00 1.34 H new ATOM 0 HG13 ILE A 93 13.256 -6.376 -20.549 1.00 1.34 H new ATOM 0 HG21 ILE A 93 11.597 -9.602 -21.553 1.00 70.41 H new ATOM 0 HG22 ILE A 93 13.046 -10.576 -21.210 1.00 70.41 H new ATOM 0 HG23 ILE A 93 12.170 -9.786 -19.878 1.00 70.41 H new ATOM 0 HD11 ILE A 93 11.062 -5.870 -21.506 1.00 2.12 H new ATOM 0 HD12 ILE A 93 12.135 -6.572 -22.740 1.00 2.12 H new ATOM 0 HD13 ILE A 93 10.867 -7.571 -21.991 1.00 2.12 H new ATOM 1409 N VAL A 94 15.649 -10.641 -19.516 1.00 62.45 N ATOM 1410 CA VAL A 94 16.360 -11.900 -19.711 1.00 55.31 C ATOM 1411 C VAL A 94 15.458 -13.092 -19.411 1.00 10.23 C ATOM 1412 O VAL A 94 14.604 -13.030 -18.526 1.00 1.44 O ATOM 1413 CB VAL A 94 17.613 -11.980 -18.820 1.00 31.44 C ATOM 1414 CG1 VAL A 94 18.410 -13.238 -19.131 1.00 34.33 C ATOM 1415 CG2 VAL A 94 18.473 -10.738 -18.996 1.00 15.20 C ATOM 0 H VAL A 94 15.410 -10.437 -18.546 1.00 62.45 H new ATOM 0 HA VAL A 94 16.665 -11.934 -20.757 1.00 55.31 H new ATOM 0 HB VAL A 94 17.294 -12.028 -17.779 1.00 31.44 H new ATOM 0 HG11 VAL A 94 19.292 -13.277 -18.492 1.00 34.33 H new ATOM 0 HG12 VAL A 94 17.790 -14.116 -18.949 1.00 34.33 H new ATOM 0 HG13 VAL A 94 18.720 -13.223 -20.176 1.00 34.33 H new ATOM 0 HG21 VAL A 94 19.354 -10.812 -18.359 1.00 15.20 H new ATOM 0 HG22 VAL A 94 18.784 -10.656 -20.037 1.00 15.20 H new ATOM 0 HG23 VAL A 94 17.898 -9.855 -18.718 1.00 15.20 H new ATOM 1425 N ILE A 95 15.654 -14.177 -20.153 1.00 10.54 N ATOM 1426 CA ILE A 95 14.860 -15.384 -19.964 1.00 72.20 C ATOM 1427 C ILE A 95 15.753 -16.599 -19.736 1.00 34.21 C ATOM 1428 O ILE A 95 16.535 -16.980 -20.606 1.00 34.21 O ATOM 1429 CB ILE A 95 13.947 -15.652 -21.175 1.00 33.31 C ATOM 1430 CG1 ILE A 95 12.985 -14.481 -21.385 1.00 34.20 C ATOM 1431 CG2 ILE A 95 13.176 -16.950 -20.980 1.00 40.51 C ATOM 1432 CD1 ILE A 95 11.997 -14.300 -20.254 1.00 20.04 C ATOM 0 H ILE A 95 16.356 -14.244 -20.890 1.00 10.54 H new ATOM 0 HA ILE A 95 14.241 -15.220 -19.082 1.00 72.20 H new ATOM 0 HB ILE A 95 14.568 -15.751 -22.065 1.00 33.31 H new ATOM 0 HG12 ILE A 95 13.562 -13.564 -21.503 1.00 34.20 H new ATOM 0 HG13 ILE A 95 12.437 -14.634 -22.315 1.00 34.20 H new ATOM 0 HG21 ILE A 95 12.535 -17.126 -21.844 1.00 40.51 H new ATOM 0 HG22 ILE A 95 13.878 -17.778 -20.874 1.00 40.51 H new ATOM 0 HG23 ILE A 95 12.562 -16.877 -20.082 1.00 40.51 H new ATOM 0 HD11 ILE A 95 11.347 -13.452 -20.471 1.00 20.04 H new ATOM 0 HD12 ILE A 95 11.394 -15.202 -20.150 1.00 20.04 H new ATOM 0 HD13 ILE A 95 12.537 -14.115 -19.325 1.00 20.04 H new ATOM 1444 N GLY A 96 15.629 -17.205 -18.559 1.00 32.41 N ATOM 1445 CA GLY A 96 16.430 -18.372 -18.237 1.00 41.23 C ATOM 1446 C GLY A 96 17.914 -18.063 -18.198 1.00 74.22 C ATOM 1447 O GLY A 96 18.333 -16.951 -18.520 1.00 74.32 O ATOM 0 H GLY A 96 14.988 -16.909 -17.823 1.00 32.41 H new ATOM 0 HA2 GLY A 96 16.119 -18.767 -17.270 1.00 41.23 H new ATOM 0 HA3 GLY A 96 16.244 -19.152 -18.975 1.00 41.23 H new ATOM 1451 N VAL A 97 18.711 -19.049 -17.801 1.00 24.40 N ATOM 1452 CA VAL A 97 20.157 -18.878 -17.720 1.00 41.13 C ATOM 1453 C VAL A 97 20.881 -19.907 -18.580 1.00 64.43 C ATOM 1454 O VAL A 97 20.322 -20.948 -18.925 1.00 5.22 O ATOM 1455 CB VAL A 97 20.656 -18.996 -16.268 1.00 21.00 C ATOM 1456 CG1 VAL A 97 22.061 -18.429 -16.138 1.00 44.42 C ATOM 1457 CG2 VAL A 97 19.699 -18.293 -15.317 1.00 73.43 C ATOM 0 H VAL A 97 18.380 -19.975 -17.530 1.00 24.40 H new ATOM 0 HA VAL A 97 20.379 -17.878 -18.092 1.00 41.13 H new ATOM 0 HB VAL A 97 20.690 -20.052 -15.999 1.00 21.00 H new ATOM 0 HG11 VAL A 97 22.396 -18.521 -15.105 1.00 44.42 H new ATOM 0 HG12 VAL A 97 22.738 -18.981 -16.790 1.00 44.42 H new ATOM 0 HG13 VAL A 97 22.057 -17.378 -16.426 1.00 44.42 H new ATOM 0 HG21 VAL A 97 20.067 -18.386 -14.295 1.00 73.43 H new ATOM 0 HG22 VAL A 97 19.631 -17.238 -15.583 1.00 73.43 H new ATOM 0 HG23 VAL A 97 18.712 -18.750 -15.390 1.00 73.43 H new ATOM 1467 N GLY A 98 22.131 -19.610 -18.924 1.00 50.30 N ATOM 1468 CA GLY A 98 22.912 -20.519 -19.742 1.00 50.12 C ATOM 1469 C GLY A 98 23.908 -19.794 -20.625 1.00 43.01 C ATOM 1470 O GLY A 98 24.184 -18.613 -20.419 1.00 41.44 O ATOM 0 H GLY A 98 22.616 -18.756 -18.650 1.00 50.30 H new ATOM 0 HA2 GLY A 98 23.445 -21.217 -19.096 1.00 50.12 H new ATOM 0 HA3 GLY A 98 22.241 -21.110 -20.366 1.00 50.12 H new ATOM 1474 N GLU A 99 24.450 -20.504 -21.610 1.00 5.23 N ATOM 1475 CA GLU A 99 25.422 -19.919 -22.526 1.00 63.44 C ATOM 1476 C GLU A 99 24.722 -19.171 -23.657 1.00 1.32 C ATOM 1477 O GLU A 99 25.202 -18.137 -24.124 1.00 21.53 O ATOM 1478 CB GLU A 99 26.329 -21.008 -23.105 1.00 51.54 C ATOM 1479 CG GLU A 99 27.496 -20.462 -23.912 1.00 34.32 C ATOM 1480 CD GLU A 99 28.486 -19.693 -23.059 1.00 35.24 C ATOM 1481 OE1 GLU A 99 28.675 -18.486 -23.314 1.00 44.54 O ATOM 1482 OE2 GLU A 99 29.070 -20.298 -22.136 1.00 63.31 O ATOM 0 H GLU A 99 24.233 -21.484 -21.794 1.00 5.23 H new ATOM 0 HA GLU A 99 26.030 -19.209 -21.966 1.00 63.44 H new ATOM 0 HB2 GLU A 99 26.716 -21.618 -22.289 1.00 51.54 H new ATOM 0 HB3 GLU A 99 25.734 -21.665 -23.740 1.00 51.54 H new ATOM 0 HG2 GLU A 99 28.010 -21.287 -24.404 1.00 34.32 H new ATOM 0 HG3 GLU A 99 27.116 -19.810 -24.698 1.00 34.32 H new ATOM 1489 N LYS A 100 23.584 -19.700 -24.093 1.00 0.21 N ATOM 1490 CA LYS A 100 22.816 -19.084 -25.168 1.00 51.33 C ATOM 1491 C LYS A 100 21.717 -18.187 -24.607 1.00 40.22 C ATOM 1492 O LYS A 100 20.634 -18.079 -25.184 1.00 5.23 O ATOM 1493 CB LYS A 100 22.202 -20.160 -26.066 1.00 35.44 C ATOM 1494 CG LYS A 100 23.196 -20.795 -27.022 1.00 61.21 C ATOM 1495 CD LYS A 100 23.912 -21.973 -26.382 1.00 1.53 C ATOM 1496 CE LYS A 100 24.644 -22.811 -27.419 1.00 1.34 C ATOM 1497 NZ LYS A 100 24.855 -24.209 -26.953 1.00 34.41 N ATOM 0 H LYS A 100 23.173 -20.555 -23.718 1.00 0.21 H new ATOM 0 HA LYS A 100 23.495 -18.470 -25.760 1.00 51.33 H new ATOM 0 HB2 LYS A 100 21.765 -20.938 -25.440 1.00 35.44 H new ATOM 0 HB3 LYS A 100 21.388 -19.720 -26.642 1.00 35.44 H new ATOM 0 HG2 LYS A 100 22.676 -21.129 -27.920 1.00 61.21 H new ATOM 0 HG3 LYS A 100 23.928 -20.050 -27.335 1.00 61.21 H new ATOM 0 HD2 LYS A 100 24.622 -21.609 -25.640 1.00 1.53 H new ATOM 0 HD3 LYS A 100 23.190 -22.595 -25.854 1.00 1.53 H new ATOM 0 HE2 LYS A 100 24.073 -22.820 -28.348 1.00 1.34 H new ATOM 0 HE3 LYS A 100 25.608 -22.353 -27.642 1.00 1.34 H new ATOM 0 HZ1 LYS A 100 25.357 -24.748 -27.688 1.00 34.41 H new ATOM 0 HZ2 LYS A 100 25.421 -24.202 -26.081 1.00 34.41 H new ATOM 0 HZ3 LYS A 100 23.934 -24.655 -26.765 1.00 34.41 H new ATOM 1511 N LYS A 101 22.002 -17.544 -23.480 1.00 44.20 N ATOM 1512 CA LYS A 101 21.041 -16.652 -22.843 1.00 34.34 C ATOM 1513 C LYS A 101 20.504 -15.630 -23.839 1.00 15.42 C ATOM 1514 O LYS A 101 21.099 -15.405 -24.893 1.00 54.30 O ATOM 1515 CB LYS A 101 21.688 -15.934 -21.657 1.00 4.41 C ATOM 1516 CG LYS A 101 21.599 -16.708 -20.354 1.00 20.35 C ATOM 1517 CD LYS A 101 22.551 -16.152 -19.308 1.00 21.31 C ATOM 1518 CE LYS A 101 22.126 -14.766 -18.848 1.00 61.20 C ATOM 1519 NZ LYS A 101 23.297 -13.912 -18.507 1.00 40.30 N ATOM 0 H LYS A 101 22.892 -17.624 -22.988 1.00 44.20 H new ATOM 0 HA LYS A 101 20.207 -17.255 -22.483 1.00 34.34 H new ATOM 0 HB2 LYS A 101 22.737 -15.745 -21.886 1.00 4.41 H new ATOM 0 HB3 LYS A 101 21.210 -14.963 -21.526 1.00 4.41 H new ATOM 0 HG2 LYS A 101 20.578 -16.668 -19.975 1.00 20.35 H new ATOM 0 HG3 LYS A 101 21.831 -17.757 -20.537 1.00 20.35 H new ATOM 0 HD2 LYS A 101 22.586 -16.826 -18.452 1.00 21.31 H new ATOM 0 HD3 LYS A 101 23.559 -16.107 -19.720 1.00 21.31 H new ATOM 0 HE2 LYS A 101 21.543 -14.286 -19.633 1.00 61.20 H new ATOM 0 HE3 LYS A 101 21.476 -14.856 -17.978 1.00 61.20 H new ATOM 0 HZ1 LYS A 101 22.966 -12.976 -18.198 1.00 40.30 H new ATOM 0 HZ2 LYS A 101 23.840 -14.358 -17.740 1.00 40.30 H new ATOM 0 HZ3 LYS A 101 23.904 -13.805 -19.344 1.00 40.30 H new ATOM 1533 N ILE A 102 19.377 -15.013 -23.497 1.00 44.32 N ATOM 1534 CA ILE A 102 18.763 -14.012 -24.361 1.00 10.03 C ATOM 1535 C ILE A 102 18.424 -12.746 -23.581 1.00 25.13 C ATOM 1536 O ILE A 102 17.966 -12.810 -22.439 1.00 51.15 O ATOM 1537 CB ILE A 102 17.482 -14.551 -25.024 1.00 13.12 C ATOM 1538 CG1 ILE A 102 16.398 -14.791 -23.970 1.00 42.44 C ATOM 1539 CG2 ILE A 102 17.779 -15.833 -25.787 1.00 22.02 C ATOM 1540 CD1 ILE A 102 15.098 -15.305 -24.547 1.00 53.43 C ATOM 0 H ILE A 102 18.871 -15.189 -22.629 1.00 44.32 H new ATOM 0 HA ILE A 102 19.492 -13.774 -25.136 1.00 10.03 H new ATOM 0 HB ILE A 102 17.116 -13.807 -25.732 1.00 13.12 H new ATOM 0 HG12 ILE A 102 16.768 -15.507 -23.236 1.00 42.44 H new ATOM 0 HG13 ILE A 102 16.207 -13.859 -23.438 1.00 42.44 H new ATOM 0 HG21 ILE A 102 16.863 -16.201 -26.250 1.00 22.02 H new ATOM 0 HG22 ILE A 102 18.521 -15.633 -26.560 1.00 22.02 H new ATOM 0 HG23 ILE A 102 18.166 -16.585 -25.099 1.00 22.02 H new ATOM 0 HD11 ILE A 102 14.376 -15.452 -23.744 1.00 53.43 H new ATOM 0 HD12 ILE A 102 14.705 -14.580 -25.260 1.00 53.43 H new ATOM 0 HD13 ILE A 102 15.275 -16.253 -25.054 1.00 53.43 H new ATOM 1552 N THR A 103 18.652 -11.594 -24.205 1.00 31.44 N ATOM 1553 CA THR A 103 18.372 -10.313 -23.570 1.00 1.25 C ATOM 1554 C THR A 103 17.825 -9.308 -24.577 1.00 5.31 C ATOM 1555 O THR A 103 17.928 -9.509 -25.788 1.00 14.35 O ATOM 1556 CB THR A 103 19.634 -9.726 -22.909 1.00 12.11 C ATOM 1557 OG1 THR A 103 20.675 -9.584 -23.881 1.00 41.24 O ATOM 1558 CG2 THR A 103 20.113 -10.616 -21.772 1.00 11.42 C ATOM 0 H THR A 103 19.030 -11.523 -25.150 1.00 31.44 H new ATOM 0 HA THR A 103 17.621 -10.498 -22.802 1.00 1.25 H new ATOM 0 HB THR A 103 19.382 -8.747 -22.502 1.00 12.11 H new ATOM 0 HG1 THR A 103 21.473 -9.209 -23.453 1.00 41.24 H new ATOM 0 HG21 THR A 103 21.005 -10.181 -21.321 1.00 11.42 H new ATOM 0 HG22 THR A 103 19.329 -10.698 -21.019 1.00 11.42 H new ATOM 0 HG23 THR A 103 20.349 -11.607 -22.160 1.00 11.42 H new ATOM 1566 N HIS A 104 17.245 -8.224 -24.070 1.00 23.51 N ATOM 1567 CA HIS A 104 16.684 -7.186 -24.927 1.00 2.14 C ATOM 1568 C HIS A 104 16.987 -5.799 -24.368 1.00 52.30 C ATOM 1569 O HIS A 104 16.961 -5.587 -23.155 1.00 61.41 O ATOM 1570 CB HIS A 104 15.173 -7.373 -25.068 1.00 63.00 C ATOM 1571 CG HIS A 104 14.784 -8.251 -26.217 1.00 55.44 C ATOM 1572 ND1 HIS A 104 15.381 -8.176 -27.458 1.00 1.31 N ATOM 1573 CD2 HIS A 104 13.851 -9.228 -26.309 1.00 2.41 C ATOM 1574 CE1 HIS A 104 14.832 -9.067 -28.263 1.00 70.52 C ATOM 1575 NE2 HIS A 104 13.901 -9.719 -27.590 1.00 70.31 N ATOM 0 H HIS A 104 17.152 -8.042 -23.071 1.00 23.51 H new ATOM 0 HA HIS A 104 17.146 -7.272 -25.910 1.00 2.14 H new ATOM 0 HB2 HIS A 104 14.780 -7.800 -24.145 1.00 63.00 H new ATOM 0 HB3 HIS A 104 14.704 -6.397 -25.192 1.00 63.00 H new ATOM 0 HD2 HIS A 104 13.191 -9.559 -25.521 1.00 2.41 H new ATOM 0 HE1 HIS A 104 15.099 -9.234 -29.296 1.00 70.52 H new ATOM 0 HE2 HIS A 104 13.314 -10.466 -27.962 1.00 70.31 H new ATOM 1583 N HIS A 105 17.274 -4.856 -25.260 1.00 61.34 N ATOM 1584 CA HIS A 105 17.580 -3.489 -24.856 1.00 52.55 C ATOM 1585 C HIS A 105 16.300 -2.699 -24.599 1.00 72.12 C ATOM 1586 O HIS A 105 15.530 -2.429 -25.521 1.00 43.32 O ATOM 1587 CB HIS A 105 18.415 -2.792 -25.931 1.00 4.33 C ATOM 1588 CG HIS A 105 17.793 -2.830 -27.292 1.00 53.13 C ATOM 1589 ND1 HIS A 105 17.863 -3.929 -28.122 1.00 24.23 N ATOM 1590 CD2 HIS A 105 17.083 -1.896 -27.968 1.00 2.22 C ATOM 1591 CE1 HIS A 105 17.226 -3.669 -29.249 1.00 71.11 C ATOM 1592 NE2 HIS A 105 16.743 -2.442 -29.181 1.00 12.30 N ATOM 0 H HIS A 105 17.301 -5.014 -26.267 1.00 61.34 H new ATOM 0 HA HIS A 105 18.154 -3.530 -23.930 1.00 52.55 H new ATOM 0 HB2 HIS A 105 18.571 -1.753 -25.641 1.00 4.33 H new ATOM 0 HB3 HIS A 105 19.398 -3.261 -25.977 1.00 4.33 H new ATOM 0 HD2 HIS A 105 16.831 -0.906 -27.618 1.00 2.22 H new ATOM 0 HE1 HIS A 105 17.118 -4.345 -30.084 1.00 71.11 H new ATOM 0 HE2 HIS A 105 16.205 -1.976 -29.911 1.00 12.30 H new ATOM 1600 N TRP A 106 16.079 -2.334 -23.342 1.00 11.43 N ATOM 1601 CA TRP A 106 14.891 -1.576 -22.964 1.00 21.34 C ATOM 1602 C TRP A 106 15.274 -0.282 -22.253 1.00 73.55 C ATOM 1603 O TRP A 106 15.865 -0.307 -21.173 1.00 71.05 O ATOM 1604 CB TRP A 106 13.989 -2.420 -22.062 1.00 32.13 C ATOM 1605 CG TRP A 106 12.552 -1.996 -22.095 1.00 73.03 C ATOM 1606 CD1 TRP A 106 11.762 -1.691 -21.024 1.00 0.43 C ATOM 1607 CD2 TRP A 106 11.733 -1.833 -23.259 1.00 4.43 C ATOM 1608 NE1 TRP A 106 10.502 -1.347 -21.451 1.00 30.31 N ATOM 1609 CE2 TRP A 106 10.459 -1.426 -22.818 1.00 11.42 C ATOM 1610 CE3 TRP A 106 11.954 -1.988 -24.630 1.00 34.42 C ATOM 1611 CZ2 TRP A 106 9.412 -1.175 -23.700 1.00 55.41 C ATOM 1612 CZ3 TRP A 106 10.913 -1.739 -25.504 1.00 71.11 C ATOM 1613 CH2 TRP A 106 9.655 -1.335 -25.037 1.00 61.10 C ATOM 0 H TRP A 106 16.706 -2.550 -22.567 1.00 11.43 H new ATOM 0 HA TRP A 106 14.348 -1.321 -23.874 1.00 21.34 H new ATOM 0 HB2 TRP A 106 14.059 -3.465 -22.365 1.00 32.13 H new ATOM 0 HB3 TRP A 106 14.354 -2.360 -21.037 1.00 32.13 H new ATOM 0 HD1 TRP A 106 12.081 -1.716 -19.992 1.00 0.43 H new ATOM 0 HE1 TRP A 106 9.725 -1.077 -20.848 1.00 30.31 H new ATOM 0 HE3 TRP A 106 12.921 -2.297 -25.000 1.00 34.42 H new ATOM 0 HZ2 TRP A 106 8.442 -0.865 -23.342 1.00 55.41 H new ATOM 0 HZ3 TRP A 106 11.072 -1.858 -26.566 1.00 71.11 H new ATOM 0 HH2 TRP A 106 8.862 -1.146 -25.746 1.00 61.10 H new ATOM 1624 N HIS A 107 14.933 0.847 -22.866 1.00 12.00 N ATOM 1625 CA HIS A 107 15.242 2.152 -22.291 1.00 75.42 C ATOM 1626 C HIS A 107 14.019 3.064 -22.327 1.00 21.25 C ATOM 1627 O HIS A 107 13.552 3.451 -23.398 1.00 21.41 O ATOM 1628 CB HIS A 107 16.401 2.803 -23.046 1.00 13.43 C ATOM 1629 CG HIS A 107 16.958 4.012 -22.359 1.00 22.12 C ATOM 1630 ND1 HIS A 107 16.193 5.112 -22.032 1.00 64.22 N ATOM 1631 CD2 HIS A 107 18.213 4.289 -21.935 1.00 4.02 C ATOM 1632 CE1 HIS A 107 16.954 6.014 -21.439 1.00 24.14 C ATOM 1633 NE2 HIS A 107 18.185 5.539 -21.367 1.00 33.13 N ATOM 0 H HIS A 107 14.443 0.885 -23.760 1.00 12.00 H new ATOM 0 HA HIS A 107 15.533 2.005 -21.251 1.00 75.42 H new ATOM 0 HB2 HIS A 107 17.197 2.070 -23.176 1.00 13.43 H new ATOM 0 HB3 HIS A 107 16.062 3.085 -24.043 1.00 13.43 H new ATOM 0 HD2 HIS A 107 19.076 3.646 -22.026 1.00 4.02 H new ATOM 0 HE1 HIS A 107 16.626 6.976 -21.075 1.00 24.14 H new ATOM 0 HE2 HIS A 107 18.984 6.022 -20.956 1.00 33.13 H new ATOM 1641 N ARG A 108 13.505 3.403 -21.149 1.00 25.24 N ATOM 1642 CA ARG A 108 12.337 4.269 -21.045 1.00 61.42 C ATOM 1643 C ARG A 108 12.747 5.696 -20.695 1.00 23.13 C ATOM 1644 O ARG A 108 13.343 5.941 -19.646 1.00 11.42 O ATOM 1645 CB ARG A 108 11.369 3.731 -19.989 1.00 63.15 C ATOM 1646 CG ARG A 108 10.133 4.595 -19.800 1.00 70.33 C ATOM 1647 CD ARG A 108 9.153 4.424 -20.950 1.00 51.15 C ATOM 1648 NE ARG A 108 8.321 5.609 -21.141 1.00 41.21 N ATOM 1649 CZ ARG A 108 7.396 5.713 -22.088 1.00 74.13 C ATOM 1650 NH1 ARG A 108 7.185 4.707 -22.926 1.00 54.45 N ATOM 1651 NH2 ARG A 108 6.679 6.824 -22.198 1.00 74.13 N ATOM 0 H ARG A 108 13.879 3.091 -20.253 1.00 25.24 H new ATOM 0 HA ARG A 108 11.837 4.281 -22.014 1.00 61.42 H new ATOM 0 HB2 ARG A 108 11.059 2.725 -20.271 1.00 63.15 H new ATOM 0 HB3 ARG A 108 11.893 3.648 -19.037 1.00 63.15 H new ATOM 0 HG2 ARG A 108 9.644 4.332 -18.862 1.00 70.33 H new ATOM 0 HG3 ARG A 108 10.427 5.642 -19.724 1.00 70.33 H new ATOM 0 HD2 ARG A 108 9.704 4.216 -21.867 1.00 51.15 H new ATOM 0 HD3 ARG A 108 8.516 3.561 -20.758 1.00 51.15 H new ATOM 0 HE ARG A 108 8.458 6.400 -20.512 1.00 41.21 H new ATOM 0 HH11 ARG A 108 7.734 3.851 -22.844 1.00 54.45 H new ATOM 0 HH12 ARG A 108 6.474 4.789 -23.653 1.00 54.45 H new ATOM 0 HH21 ARG A 108 6.838 7.599 -21.555 1.00 74.13 H new ATOM 0 HH22 ARG A 108 5.969 6.903 -22.926 1.00 74.13 H new