USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 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 51 MET CE :methyl 146:sc= -0.17 (180deg=-2.2!) USER MOD Set 1.2: A 91 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 27 THR OG1 : rot 171:sc= 0.93 USER MOD Set 2.2: A 31 THR OG1 : rot 50:sc= 0.555 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.026) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.038) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.754 USER MOD Single : A 68 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.19) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 78 SER OG : rot 62:sc= 0.833 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -151:sc= -0.0973 (180deg=-0.607) USER MOD Single : A 81 MET CE :methyl 166:sc= -0.142 (180deg=-0.62) 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= -0.0323 (180deg=-0.0323) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-4!) USER MOD Single : A 105 HIS : no HD1:sc= -0.746 X(o=-0.75,f=-0.93) USER MOD Single : A 107 HIS : no HD1:sc=-0.000868 X(o=-0.00087,f=0) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 15.990 -23.950 -21.329 1.00 24.51 N ATOM 257 CA ALA A 17 16.668 -22.848 -22.000 1.00 73.35 C ATOM 258 C ALA A 17 15.685 -22.016 -22.818 1.00 22.43 C ATOM 259 O ALA A 17 15.016 -22.531 -23.714 1.00 32.02 O ATOM 260 CB ALA A 17 17.782 -23.378 -22.891 1.00 2.32 C ATOM 0 HA ALA A 17 17.104 -22.203 -21.237 1.00 73.35 H new ATOM 0 HB1 ALA A 17 18.280 -22.544 -23.386 1.00 2.32 H new ATOM 0 HB2 ALA A 17 18.505 -23.924 -22.284 1.00 2.32 H new ATOM 0 HB3 ALA A 17 17.361 -24.046 -23.642 1.00 2.32 H new ATOM 266 N PHE A 18 15.603 -20.728 -22.503 1.00 10.02 N ATOM 267 CA PHE A 18 14.701 -19.825 -23.208 1.00 10.32 C ATOM 268 C PHE A 18 15.468 -18.954 -24.199 1.00 20.31 C ATOM 269 O PHE A 18 16.673 -18.744 -24.056 1.00 62.34 O ATOM 270 CB PHE A 18 13.949 -18.941 -22.211 1.00 53.50 C ATOM 271 CG PHE A 18 13.289 -19.712 -21.104 1.00 72.33 C ATOM 272 CD1 PHE A 18 13.834 -19.726 -19.831 1.00 12.45 C ATOM 273 CD2 PHE A 18 12.124 -20.425 -21.338 1.00 13.11 C ATOM 274 CE1 PHE A 18 13.229 -20.435 -18.810 1.00 11.53 C ATOM 275 CE2 PHE A 18 11.514 -21.135 -20.321 1.00 61.10 C ATOM 276 CZ PHE A 18 12.068 -21.141 -19.056 1.00 20.03 C ATOM 0 H PHE A 18 16.150 -20.286 -21.764 1.00 10.02 H new ATOM 0 HA PHE A 18 13.982 -20.429 -23.762 1.00 10.32 H new ATOM 0 HB2 PHE A 18 14.645 -18.223 -21.778 1.00 53.50 H new ATOM 0 HB3 PHE A 18 13.191 -18.368 -22.745 1.00 53.50 H new ATOM 0 HD1 PHE A 18 14.743 -19.176 -19.633 1.00 12.45 H new ATOM 0 HD2 PHE A 18 11.688 -20.426 -22.326 1.00 13.11 H new ATOM 0 HE1 PHE A 18 13.664 -20.437 -17.821 1.00 11.53 H new ATOM 0 HE2 PHE A 18 10.605 -21.685 -20.515 1.00 61.10 H new ATOM 0 HZ PHE A 18 11.594 -21.697 -18.261 1.00 20.03 H new ATOM 286 N THR A 19 14.761 -18.450 -25.205 1.00 52.23 N ATOM 287 CA THR A 19 15.374 -17.604 -26.222 1.00 15.25 C ATOM 288 C THR A 19 14.345 -16.676 -26.858 1.00 31.01 C ATOM 289 O THR A 19 13.313 -17.126 -27.356 1.00 52.32 O ATOM 290 CB THR A 19 16.041 -18.445 -27.325 1.00 63.53 C ATOM 291 OG1 THR A 19 15.381 -19.710 -27.444 1.00 32.51 O ATOM 292 CG2 THR A 19 17.516 -18.664 -27.022 1.00 32.12 C ATOM 0 H THR A 19 13.763 -18.613 -25.338 1.00 52.23 H new ATOM 0 HA THR A 19 16.136 -17.008 -25.720 1.00 15.25 H new ATOM 0 HB THR A 19 15.956 -17.901 -28.266 1.00 63.53 H new ATOM 0 HG1 THR A 19 15.811 -20.238 -28.149 1.00 32.51 H new ATOM 0 HG21 THR A 19 17.966 -19.261 -27.815 1.00 32.12 H new ATOM 0 HG22 THR A 19 18.022 -17.700 -26.962 1.00 32.12 H new ATOM 0 HG23 THR A 19 17.618 -19.188 -26.072 1.00 32.12 H new ATOM 300 N PHE A 20 14.633 -15.379 -26.839 1.00 10.13 N ATOM 301 CA PHE A 20 13.732 -14.387 -27.414 1.00 70.10 C ATOM 302 C PHE A 20 13.411 -14.722 -28.868 1.00 5.12 C ATOM 303 O PHE A 20 14.294 -15.096 -29.641 1.00 4.32 O ATOM 304 CB PHE A 20 14.352 -12.991 -27.325 1.00 62.12 C ATOM 305 CG PHE A 20 14.431 -12.458 -25.923 1.00 71.31 C ATOM 306 CD1 PHE A 20 13.282 -12.282 -25.169 1.00 71.23 C ATOM 307 CD2 PHE A 20 15.654 -12.133 -25.359 1.00 41.12 C ATOM 308 CE1 PHE A 20 13.351 -11.792 -23.879 1.00 32.45 C ATOM 309 CE2 PHE A 20 15.729 -11.643 -24.069 1.00 62.20 C ATOM 310 CZ PHE A 20 14.576 -11.472 -23.328 1.00 41.52 C ATOM 0 H PHE A 20 15.483 -14.990 -26.432 1.00 10.13 H new ATOM 0 HA PHE A 20 12.804 -14.401 -26.843 1.00 70.10 H new ATOM 0 HB2 PHE A 20 15.355 -13.020 -27.751 1.00 62.12 H new ATOM 0 HB3 PHE A 20 13.766 -12.303 -27.934 1.00 62.12 H new ATOM 0 HD1 PHE A 20 12.321 -12.531 -25.595 1.00 71.23 H new ATOM 0 HD2 PHE A 20 16.559 -12.264 -25.934 1.00 41.12 H new ATOM 0 HE1 PHE A 20 12.448 -11.659 -23.302 1.00 32.45 H new ATOM 0 HE2 PHE A 20 16.689 -11.394 -23.641 1.00 62.20 H new ATOM 0 HZ PHE A 20 14.632 -11.089 -22.320 1.00 41.52 H new ATOM 320 N THR A 21 12.141 -14.586 -29.234 1.00 53.30 N ATOM 321 CA THR A 21 11.702 -14.874 -30.593 1.00 71.55 C ATOM 322 C THR A 21 11.094 -13.640 -31.249 1.00 13.22 C ATOM 323 O THR A 21 11.343 -13.360 -32.422 1.00 2.35 O ATOM 324 CB THR A 21 10.669 -16.017 -30.620 1.00 1.03 C ATOM 325 OG1 THR A 21 10.069 -16.105 -31.917 1.00 23.50 O ATOM 326 CG2 THR A 21 9.590 -15.795 -29.571 1.00 20.24 C ATOM 0 H THR A 21 11.398 -14.278 -28.607 1.00 53.30 H new ATOM 0 HA THR A 21 12.587 -15.180 -31.151 1.00 71.55 H new ATOM 0 HB THR A 21 11.186 -16.950 -30.396 1.00 1.03 H new ATOM 0 HG1 THR A 21 9.415 -16.835 -31.926 1.00 23.50 H new ATOM 0 HG21 THR A 21 8.872 -16.614 -29.609 1.00 20.24 H new ATOM 0 HG22 THR A 21 10.046 -15.758 -28.582 1.00 20.24 H new ATOM 0 HG23 THR A 21 9.077 -14.854 -29.770 1.00 20.24 H new ATOM 334 N LYS A 22 10.295 -12.903 -30.485 1.00 35.14 N ATOM 335 CA LYS A 22 9.652 -11.695 -30.989 1.00 63.34 C ATOM 336 C LYS A 22 10.157 -10.461 -30.249 1.00 52.21 C ATOM 337 O LYS A 22 9.820 -10.243 -29.085 1.00 22.33 O ATOM 338 CB LYS A 22 8.132 -11.803 -30.846 1.00 65.22 C ATOM 339 CG LYS A 22 7.367 -10.851 -31.749 1.00 64.10 C ATOM 340 CD LYS A 22 7.459 -11.270 -33.207 1.00 35.43 C ATOM 341 CE LYS A 22 6.538 -10.437 -34.085 1.00 41.10 C ATOM 342 NZ LYS A 22 5.122 -10.887 -33.989 1.00 12.04 N ATOM 0 H LYS A 22 10.077 -13.122 -29.513 1.00 35.14 H new ATOM 0 HA LYS A 22 9.904 -11.593 -32.044 1.00 63.34 H new ATOM 0 HB2 LYS A 22 7.826 -12.825 -31.068 1.00 65.22 H new ATOM 0 HB3 LYS A 22 7.858 -11.606 -29.809 1.00 65.22 H new ATOM 0 HG2 LYS A 22 6.321 -10.820 -31.444 1.00 64.10 H new ATOM 0 HG3 LYS A 22 7.763 -9.842 -31.634 1.00 64.10 H new ATOM 0 HD2 LYS A 22 8.487 -11.164 -33.553 1.00 35.43 H new ATOM 0 HD3 LYS A 22 7.198 -12.324 -33.301 1.00 35.43 H new ATOM 0 HE2 LYS A 22 6.607 -9.389 -33.792 1.00 41.10 H new ATOM 0 HE3 LYS A 22 6.869 -10.500 -35.121 1.00 41.10 H new ATOM 0 HZ1 LYS A 22 4.527 -10.294 -34.602 1.00 12.04 H new ATOM 0 HZ2 LYS A 22 5.052 -11.879 -34.293 1.00 12.04 H new ATOM 0 HZ3 LYS A 22 4.797 -10.803 -33.005 1.00 12.04 H new ATOM 356 N ILE A 23 10.964 -9.656 -30.932 1.00 13.31 N ATOM 357 CA ILE A 23 11.512 -8.442 -30.339 1.00 73.10 C ATOM 358 C ILE A 23 10.403 -7.546 -29.798 1.00 41.30 C ATOM 359 O ILE A 23 9.398 -7.290 -30.462 1.00 3.52 O ATOM 360 CB ILE A 23 12.349 -7.646 -31.358 1.00 32.33 C ATOM 361 CG1 ILE A 23 13.460 -8.526 -31.936 1.00 14.53 C ATOM 362 CG2 ILE A 23 12.935 -6.403 -30.705 1.00 61.15 C ATOM 363 CD1 ILE A 23 14.412 -9.062 -30.890 1.00 35.13 C ATOM 0 H ILE A 23 11.253 -9.822 -31.896 1.00 13.31 H new ATOM 0 HA ILE A 23 12.156 -8.755 -29.517 1.00 73.10 H new ATOM 0 HB ILE A 23 11.699 -7.331 -32.175 1.00 32.33 H new ATOM 0 HG12 ILE A 23 13.009 -9.363 -32.468 1.00 14.53 H new ATOM 0 HG13 ILE A 23 14.025 -7.950 -32.669 1.00 14.53 H new ATOM 0 HG21 ILE A 23 13.524 -5.851 -31.437 1.00 61.15 H new ATOM 0 HG22 ILE A 23 12.127 -5.770 -30.337 1.00 61.15 H new ATOM 0 HG23 ILE A 23 13.574 -6.696 -29.872 1.00 61.15 H new ATOM 0 HD11 ILE A 23 15.173 -9.677 -31.371 1.00 35.13 H new ATOM 0 HD12 ILE A 23 14.891 -8.230 -30.373 1.00 35.13 H new ATOM 0 HD13 ILE A 23 13.859 -9.666 -30.170 1.00 35.13 H new ATOM 375 N PRO A 24 10.589 -7.055 -28.564 1.00 14.24 N ATOM 376 CA PRO A 24 9.616 -6.176 -27.907 1.00 4.11 C ATOM 377 C PRO A 24 9.554 -4.796 -28.552 1.00 52.14 C ATOM 378 O PRO A 24 10.544 -4.310 -29.099 1.00 32.44 O ATOM 379 CB PRO A 24 10.143 -6.072 -26.473 1.00 64.45 C ATOM 380 CG PRO A 24 11.605 -6.336 -26.587 1.00 62.24 C ATOM 381 CD PRO A 24 11.762 -7.319 -27.714 1.00 60.43 C ATOM 0 HA PRO A 24 8.601 -6.568 -27.976 1.00 4.11 H new ATOM 0 HB2 PRO A 24 9.950 -5.086 -26.051 1.00 64.45 H new ATOM 0 HB3 PRO A 24 9.659 -6.798 -25.820 1.00 64.45 H new ATOM 0 HG2 PRO A 24 12.153 -5.416 -26.792 1.00 62.24 H new ATOM 0 HG3 PRO A 24 12.002 -6.742 -25.657 1.00 62.24 H new ATOM 0 HD2 PRO A 24 12.694 -7.163 -28.256 1.00 60.43 H new ATOM 0 HD3 PRO A 24 11.772 -8.347 -27.352 1.00 60.43 H new ATOM 389 N ALA A 25 8.384 -4.169 -28.485 1.00 51.22 N ATOM 390 CA ALA A 25 8.193 -2.844 -29.062 1.00 42.20 C ATOM 391 C ALA A 25 6.903 -2.206 -28.558 1.00 30.20 C ATOM 392 O ALA A 25 5.885 -2.880 -28.409 1.00 35.33 O ATOM 393 CB ALA A 25 8.185 -2.926 -30.581 1.00 43.23 C ATOM 0 H ALA A 25 7.554 -4.557 -28.037 1.00 51.22 H new ATOM 0 HA ALA A 25 9.026 -2.215 -28.747 1.00 42.20 H new ATOM 0 HB1 ALA A 25 8.042 -1.929 -30.998 1.00 43.23 H new ATOM 0 HB2 ALA A 25 9.135 -3.332 -30.928 1.00 43.23 H new ATOM 0 HB3 ALA A 25 7.373 -3.576 -30.906 1.00 43.23 H new ATOM 399 N GLU A 26 6.955 -0.904 -28.297 1.00 14.40 N ATOM 400 CA GLU A 26 5.789 -0.176 -27.810 1.00 34.23 C ATOM 401 C GLU A 26 4.717 -0.078 -28.892 1.00 31.43 C ATOM 402 O GLU A 26 5.019 -0.102 -30.085 1.00 73.44 O ATOM 403 CB GLU A 26 6.191 1.226 -27.347 1.00 61.30 C ATOM 404 CG GLU A 26 5.731 1.557 -25.937 1.00 61.13 C ATOM 405 CD GLU A 26 5.750 3.046 -25.652 1.00 42.11 C ATOM 406 OE1 GLU A 26 5.256 3.818 -26.500 1.00 41.24 O ATOM 407 OE2 GLU A 26 6.259 3.439 -24.582 1.00 11.32 O ATOM 0 H GLU A 26 7.791 -0.332 -28.414 1.00 14.40 H new ATOM 0 HA GLU A 26 5.378 -0.726 -26.964 1.00 34.23 H new ATOM 0 HB2 GLU A 26 7.276 1.319 -27.397 1.00 61.30 H new ATOM 0 HB3 GLU A 26 5.776 1.960 -28.037 1.00 61.30 H new ATOM 0 HG2 GLU A 26 4.721 1.175 -25.789 1.00 61.13 H new ATOM 0 HG3 GLU A 26 6.373 1.045 -25.220 1.00 61.13 H new ATOM 414 N THR A 27 3.462 0.031 -28.466 1.00 3.34 N ATOM 415 CA THR A 27 2.345 0.129 -29.396 1.00 50.12 C ATOM 416 C THR A 27 1.603 1.450 -29.228 1.00 3.22 C ATOM 417 O THR A 27 2.040 2.329 -28.483 1.00 32.53 O ATOM 418 CB THR A 27 1.351 -1.032 -29.205 1.00 64.32 C ATOM 419 OG1 THR A 27 0.717 -0.929 -27.926 1.00 1.05 O ATOM 420 CG2 THR A 27 2.059 -2.374 -29.319 1.00 61.11 C ATOM 0 H THR A 27 3.194 0.054 -27.482 1.00 3.34 H new ATOM 0 HA THR A 27 2.765 0.077 -30.400 1.00 50.12 H new ATOM 0 HB THR A 27 0.597 -0.968 -29.990 1.00 64.32 H new ATOM 0 HG1 THR A 27 -0.013 -1.580 -27.869 1.00 1.05 H new ATOM 0 HG21 THR A 27 1.337 -3.179 -29.181 1.00 61.11 H new ATOM 0 HG22 THR A 27 2.516 -2.462 -30.305 1.00 61.11 H new ATOM 0 HG23 THR A 27 2.832 -2.444 -28.553 1.00 61.11 H new ATOM 428 N LEU A 28 0.480 1.585 -29.924 1.00 13.25 N ATOM 429 CA LEU A 28 -0.324 2.801 -29.851 1.00 21.53 C ATOM 430 C LEU A 28 -0.695 3.122 -28.407 1.00 2.54 C ATOM 431 O LEU A 28 -0.783 4.289 -28.022 1.00 45.24 O ATOM 432 CB LEU A 28 -1.592 2.648 -30.693 1.00 43.41 C ATOM 433 CG LEU A 28 -2.660 3.725 -30.498 1.00 34.51 C ATOM 434 CD1 LEU A 28 -2.090 5.103 -30.792 1.00 4.23 C ATOM 435 CD2 LEU A 28 -3.867 3.445 -31.383 1.00 25.04 C ATOM 0 H LEU A 28 0.105 0.868 -30.545 1.00 13.25 H new ATOM 0 HA LEU A 28 0.270 3.625 -30.246 1.00 21.53 H new ATOM 0 HB2 LEU A 28 -1.306 2.634 -31.745 1.00 43.41 H new ATOM 0 HB3 LEU A 28 -2.037 1.678 -30.471 1.00 43.41 H new ATOM 0 HG LEU A 28 -2.984 3.704 -29.457 1.00 34.51 H new ATOM 0 HD11 LEU A 28 -2.865 5.856 -30.648 1.00 4.23 H new ATOM 0 HD12 LEU A 28 -1.258 5.304 -30.117 1.00 4.23 H new ATOM 0 HD13 LEU A 28 -1.737 5.138 -31.823 1.00 4.23 H new ATOM 0 HD21 LEU A 28 -4.617 4.221 -31.231 1.00 25.04 H new ATOM 0 HD22 LEU A 28 -3.558 3.438 -32.428 1.00 25.04 H new ATOM 0 HD23 LEU A 28 -4.291 2.475 -31.124 1.00 25.04 H new ATOM 447 N HIS A 29 -0.910 2.080 -27.610 1.00 3.42 N ATOM 448 CA HIS A 29 -1.267 2.252 -26.206 1.00 52.22 C ATOM 449 C HIS A 29 -0.028 2.189 -25.318 1.00 51.43 C ATOM 450 O HIS A 29 -0.117 1.870 -24.134 1.00 3.25 O ATOM 451 CB HIS A 29 -2.270 1.180 -25.779 1.00 11.24 C ATOM 452 CG HIS A 29 -3.120 1.586 -24.614 1.00 21.52 C ATOM 453 ND1 HIS A 29 -4.081 2.571 -24.690 1.00 53.14 N ATOM 454 CD2 HIS A 29 -3.150 1.131 -23.339 1.00 41.02 C ATOM 455 CE1 HIS A 29 -4.665 2.707 -23.513 1.00 24.51 C ATOM 456 NE2 HIS A 29 -4.118 1.844 -22.675 1.00 61.24 N ATOM 0 H HIS A 29 -0.843 1.108 -27.912 1.00 3.42 H new ATOM 0 HA HIS A 29 -1.725 3.234 -26.091 1.00 52.22 H new ATOM 0 HB2 HIS A 29 -2.916 0.941 -26.624 1.00 11.24 H new ATOM 0 HB3 HIS A 29 -1.729 0.269 -25.524 1.00 11.24 H new ATOM 0 HD2 HIS A 29 -2.528 0.352 -22.922 1.00 41.02 H new ATOM 0 HE1 HIS A 29 -5.455 3.404 -23.276 1.00 24.51 H new ATOM 0 HE2 HIS A 29 -4.373 1.726 -21.694 1.00 61.24 H new ATOM 464 N GLY A 30 1.128 2.496 -25.900 1.00 75.34 N ATOM 465 CA GLY A 30 2.368 2.467 -25.148 1.00 31.24 C ATOM 466 C GLY A 30 2.600 1.134 -24.464 1.00 65.13 C ATOM 467 O GLY A 30 3.173 1.077 -23.375 1.00 71.33 O ATOM 0 H GLY A 30 1.227 2.764 -26.879 1.00 75.34 H new ATOM 0 HA2 GLY A 30 3.201 2.678 -25.819 1.00 31.24 H new ATOM 0 HA3 GLY A 30 2.354 3.259 -24.399 1.00 31.24 H new ATOM 471 N THR A 31 2.154 0.057 -25.103 1.00 61.04 N ATOM 472 CA THR A 31 2.313 -1.281 -24.549 1.00 34.43 C ATOM 473 C THR A 31 3.352 -2.080 -25.328 1.00 13.25 C ATOM 474 O THR A 31 3.475 -1.938 -26.544 1.00 54.32 O ATOM 475 CB THR A 31 0.979 -2.053 -24.554 1.00 24.03 C ATOM 476 OG1 THR A 31 0.024 -1.376 -25.378 1.00 45.22 O ATOM 477 CG2 THR A 31 0.430 -2.193 -23.142 1.00 53.51 C ATOM 0 H THR A 31 1.679 0.086 -26.005 1.00 61.04 H new ATOM 0 HA THR A 31 2.650 -1.158 -23.520 1.00 34.43 H new ATOM 0 HB THR A 31 1.163 -3.049 -24.956 1.00 24.03 H new ATOM 0 HG1 THR A 31 0.429 -1.170 -26.246 1.00 45.22 H new ATOM 0 HG21 THR A 31 -0.512 -2.741 -23.170 1.00 53.51 H new ATOM 0 HG22 THR A 31 1.147 -2.735 -22.525 1.00 53.51 H new ATOM 0 HG23 THR A 31 0.261 -1.203 -22.718 1.00 53.51 H new ATOM 485 N VAL A 32 4.098 -2.921 -24.619 1.00 30.13 N ATOM 486 CA VAL A 32 5.126 -3.744 -25.244 1.00 45.32 C ATOM 487 C VAL A 32 4.869 -5.226 -24.999 1.00 21.23 C ATOM 488 O VAL A 32 4.568 -5.639 -23.878 1.00 41.20 O ATOM 489 CB VAL A 32 6.529 -3.384 -24.720 1.00 2.34 C ATOM 490 CG1 VAL A 32 6.650 -3.723 -23.242 1.00 21.12 C ATOM 491 CG2 VAL A 32 7.600 -4.099 -25.529 1.00 21.41 C ATOM 0 H VAL A 32 4.009 -3.050 -23.611 1.00 30.13 H new ATOM 0 HA VAL A 32 5.083 -3.543 -26.315 1.00 45.32 H new ATOM 0 HB VAL A 32 6.676 -2.310 -24.835 1.00 2.34 H new ATOM 0 HG11 VAL A 32 7.648 -3.462 -22.889 1.00 21.12 H new ATOM 0 HG12 VAL A 32 5.907 -3.160 -22.678 1.00 21.12 H new ATOM 0 HG13 VAL A 32 6.482 -4.790 -23.099 1.00 21.12 H new ATOM 0 HG21 VAL A 32 8.585 -3.833 -25.145 1.00 21.41 H new ATOM 0 HG22 VAL A 32 7.458 -5.177 -25.448 1.00 21.41 H new ATOM 0 HG23 VAL A 32 7.526 -3.801 -26.575 1.00 21.41 H new ATOM 501 N THR A 33 4.990 -6.025 -26.054 1.00 73.15 N ATOM 502 CA THR A 33 4.769 -7.462 -25.955 1.00 24.34 C ATOM 503 C THR A 33 6.090 -8.223 -25.967 1.00 23.13 C ATOM 504 O THR A 33 7.045 -7.818 -26.630 1.00 24.53 O ATOM 505 CB THR A 33 3.884 -7.976 -27.105 1.00 75.12 C ATOM 506 OG1 THR A 33 4.630 -7.995 -28.327 1.00 72.21 O ATOM 507 CG2 THR A 33 2.651 -7.100 -27.272 1.00 32.55 C ATOM 0 H THR A 33 5.240 -5.701 -26.988 1.00 73.15 H new ATOM 0 HA THR A 33 4.259 -7.638 -25.008 1.00 24.34 H new ATOM 0 HB THR A 33 3.561 -8.988 -26.861 1.00 75.12 H new ATOM 0 HG1 THR A 33 4.060 -8.325 -29.053 1.00 72.21 H new ATOM 0 HG21 THR A 33 2.041 -7.483 -28.090 1.00 32.55 H new ATOM 0 HG22 THR A 33 2.070 -7.111 -26.350 1.00 32.55 H new ATOM 0 HG23 THR A 33 2.958 -6.078 -27.495 1.00 32.55 H new ATOM 515 N VAL A 34 6.138 -9.328 -25.229 1.00 62.24 N ATOM 516 CA VAL A 34 7.342 -10.148 -25.158 1.00 12.00 C ATOM 517 C VAL A 34 7.034 -11.605 -25.484 1.00 23.24 C ATOM 518 O VAL A 34 6.008 -12.141 -25.067 1.00 54.33 O ATOM 519 CB VAL A 34 7.991 -10.071 -23.764 1.00 23.05 C ATOM 520 CG1 VAL A 34 6.992 -10.463 -22.686 1.00 73.12 C ATOM 521 CG2 VAL A 34 9.228 -10.955 -23.703 1.00 34.34 C ATOM 0 H VAL A 34 5.357 -9.676 -24.672 1.00 62.24 H new ATOM 0 HA VAL A 34 8.039 -9.753 -25.897 1.00 12.00 H new ATOM 0 HB VAL A 34 8.299 -9.041 -23.582 1.00 23.05 H new ATOM 0 HG11 VAL A 34 7.469 -10.402 -21.708 1.00 73.12 H new ATOM 0 HG12 VAL A 34 6.139 -9.785 -22.716 1.00 73.12 H new ATOM 0 HG13 VAL A 34 6.650 -11.483 -22.860 1.00 73.12 H new ATOM 0 HG21 VAL A 34 9.674 -10.889 -22.711 1.00 34.34 H new ATOM 0 HG22 VAL A 34 8.947 -11.988 -23.906 1.00 34.34 H new ATOM 0 HG23 VAL A 34 9.950 -10.622 -24.449 1.00 34.34 H new ATOM 531 N GLU A 35 7.932 -12.241 -26.230 1.00 73.32 N ATOM 532 CA GLU A 35 7.755 -13.638 -26.612 1.00 2.52 C ATOM 533 C GLU A 35 9.097 -14.363 -26.657 1.00 10.01 C ATOM 534 O GLU A 35 10.077 -13.847 -27.195 1.00 75.25 O ATOM 535 CB GLU A 35 7.065 -13.734 -27.974 1.00 50.30 C ATOM 536 CG GLU A 35 6.325 -15.043 -28.190 1.00 55.21 C ATOM 537 CD GLU A 35 5.939 -15.262 -29.640 1.00 34.30 C ATOM 538 OE1 GLU A 35 4.737 -15.472 -29.908 1.00 71.41 O ATOM 539 OE2 GLU A 35 6.837 -15.224 -30.506 1.00 62.41 O ATOM 0 H GLU A 35 8.788 -11.812 -26.582 1.00 73.32 H new ATOM 0 HA GLU A 35 7.127 -14.117 -25.861 1.00 2.52 H new ATOM 0 HB2 GLU A 35 6.361 -12.908 -28.074 1.00 50.30 H new ATOM 0 HB3 GLU A 35 7.811 -13.614 -28.759 1.00 50.30 H new ATOM 0 HG2 GLU A 35 6.952 -15.870 -27.856 1.00 55.21 H new ATOM 0 HG3 GLU A 35 5.427 -15.054 -27.573 1.00 55.21 H new ATOM 546 N VAL A 36 9.134 -15.563 -26.087 1.00 34.14 N ATOM 547 CA VAL A 36 10.354 -16.361 -26.061 1.00 51.43 C ATOM 548 C VAL A 36 10.072 -17.809 -26.446 1.00 2.31 C ATOM 549 O VAL A 36 8.937 -18.168 -26.758 1.00 45.05 O ATOM 550 CB VAL A 36 11.016 -16.330 -24.671 1.00 11.32 C ATOM 551 CG1 VAL A 36 11.553 -14.940 -24.366 1.00 4.11 C ATOM 552 CG2 VAL A 36 10.030 -16.775 -23.602 1.00 33.33 C ATOM 0 H VAL A 36 8.332 -16.004 -25.637 1.00 34.14 H new ATOM 0 HA VAL A 36 11.035 -15.921 -26.789 1.00 51.43 H new ATOM 0 HB VAL A 36 11.855 -17.026 -24.672 1.00 11.32 H new ATOM 0 HG11 VAL A 36 12.017 -14.938 -23.380 1.00 4.11 H new ATOM 0 HG12 VAL A 36 12.294 -14.663 -25.116 1.00 4.11 H new ATOM 0 HG13 VAL A 36 10.733 -14.222 -24.383 1.00 4.11 H new ATOM 0 HG21 VAL A 36 10.514 -16.747 -22.626 1.00 33.33 H new ATOM 0 HG22 VAL A 36 9.170 -16.106 -23.599 1.00 33.33 H new ATOM 0 HG23 VAL A 36 9.698 -17.792 -23.813 1.00 33.33 H new ATOM 562 N GLN A 37 11.113 -18.635 -26.420 1.00 33.21 N ATOM 563 CA GLN A 37 10.976 -20.045 -26.765 1.00 22.42 C ATOM 564 C GLN A 37 10.856 -20.903 -25.510 1.00 33.53 C ATOM 565 O GLN A 37 11.798 -21.009 -24.725 1.00 3.23 O ATOM 566 CB GLN A 37 12.173 -20.506 -27.599 1.00 73.20 C ATOM 567 CG GLN A 37 12.260 -19.835 -28.960 1.00 72.23 C ATOM 568 CD GLN A 37 13.338 -20.438 -29.840 1.00 14.51 C ATOM 569 OE1 GLN A 37 13.842 -21.527 -29.566 1.00 75.11 O ATOM 570 NE2 GLN A 37 13.697 -19.730 -30.904 1.00 42.15 N ATOM 0 H GLN A 37 12.059 -18.353 -26.164 1.00 33.21 H new ATOM 0 HA GLN A 37 10.065 -20.163 -27.352 1.00 22.42 H new ATOM 0 HB2 GLN A 37 13.090 -20.306 -27.045 1.00 73.20 H new ATOM 0 HB3 GLN A 37 12.114 -21.585 -27.738 1.00 73.20 H new ATOM 0 HG2 GLN A 37 11.297 -19.917 -29.464 1.00 72.23 H new ATOM 0 HG3 GLN A 37 12.459 -18.772 -28.825 1.00 72.23 H new ATOM 0 HE21 GLN A 37 13.252 -18.832 -31.093 1.00 42.15 H new ATOM 0 HE22 GLN A 37 14.418 -20.084 -31.533 1.00 42.15 H new ATOM 579 N TYR A 38 9.690 -21.514 -25.327 1.00 25.43 N ATOM 580 CA TYR A 38 9.446 -22.362 -24.165 1.00 52.45 C ATOM 581 C TYR A 38 9.840 -23.807 -24.453 1.00 74.21 C ATOM 582 O TYR A 38 9.097 -24.548 -25.096 1.00 71.32 O ATOM 583 CB TYR A 38 7.973 -22.294 -23.760 1.00 15.43 C ATOM 584 CG TYR A 38 7.736 -22.566 -22.291 1.00 53.24 C ATOM 585 CD1 TYR A 38 7.198 -23.775 -21.867 1.00 11.31 C ATOM 586 CD2 TYR A 38 8.049 -21.614 -21.329 1.00 34.22 C ATOM 587 CE1 TYR A 38 6.979 -24.028 -20.526 1.00 41.35 C ATOM 588 CE2 TYR A 38 7.835 -21.859 -19.986 1.00 74.02 C ATOM 589 CZ TYR A 38 7.299 -23.067 -19.590 1.00 65.01 C ATOM 590 OH TYR A 38 7.083 -23.314 -18.254 1.00 24.23 O ATOM 0 H TYR A 38 8.900 -21.438 -25.968 1.00 25.43 H new ATOM 0 HA TYR A 38 10.060 -21.995 -23.343 1.00 52.45 H new ATOM 0 HB2 TYR A 38 7.582 -21.307 -24.006 1.00 15.43 H new ATOM 0 HB3 TYR A 38 7.409 -23.016 -24.350 1.00 15.43 H new ATOM 0 HD1 TYR A 38 6.947 -24.530 -22.598 1.00 11.31 H new ATOM 0 HD2 TYR A 38 8.467 -20.666 -21.636 1.00 34.22 H new ATOM 0 HE1 TYR A 38 6.560 -24.973 -20.213 1.00 41.35 H new ATOM 0 HE2 TYR A 38 8.086 -21.109 -19.250 1.00 74.02 H new ATOM 0 HH TYR A 38 7.363 -22.536 -17.728 1.00 24.23 H new ATOM 600 N ALA A 39 11.014 -24.201 -23.971 1.00 13.21 N ATOM 601 CA ALA A 39 11.506 -25.558 -24.172 1.00 32.13 C ATOM 602 C ALA A 39 12.354 -26.015 -22.989 1.00 74.25 C ATOM 603 O ALA A 39 13.189 -25.266 -22.486 1.00 25.01 O ATOM 604 CB ALA A 39 12.307 -25.643 -25.462 1.00 71.44 C ATOM 0 H ALA A 39 11.642 -23.599 -23.438 1.00 13.21 H new ATOM 0 HA ALA A 39 10.646 -26.223 -24.247 1.00 32.13 H new ATOM 0 HB1 ALA A 39 12.668 -26.662 -25.599 1.00 71.44 H new ATOM 0 HB2 ALA A 39 11.672 -25.367 -26.304 1.00 71.44 H new ATOM 0 HB3 ALA A 39 13.156 -24.961 -25.409 1.00 71.44 H new ATOM 675 N LYS A 46 5.526 -21.983 -14.216 1.00 30.11 N ATOM 676 CA LYS A 46 5.488 -20.530 -14.104 1.00 1.12 C ATOM 677 C LYS A 46 6.502 -19.885 -15.043 1.00 61.13 C ATOM 678 O LYS A 46 7.656 -20.309 -15.113 1.00 73.25 O ATOM 679 CB LYS A 46 5.769 -20.102 -12.662 1.00 12.53 C ATOM 680 CG LYS A 46 7.170 -20.446 -12.187 1.00 12.04 C ATOM 681 CD LYS A 46 7.332 -20.190 -10.698 1.00 24.03 C ATOM 682 CE LYS A 46 6.793 -21.347 -9.871 1.00 73.10 C ATOM 683 NZ LYS A 46 7.075 -21.171 -8.420 1.00 11.25 N ATOM 0 HA LYS A 46 4.491 -20.195 -14.389 1.00 1.12 H new ATOM 0 HB2 LYS A 46 5.619 -19.026 -12.576 1.00 12.53 H new ATOM 0 HB3 LYS A 46 5.044 -20.579 -12.003 1.00 12.53 H new ATOM 0 HG2 LYS A 46 7.381 -21.493 -12.402 1.00 12.04 H new ATOM 0 HG3 LYS A 46 7.899 -19.854 -12.740 1.00 12.04 H new ATOM 0 HD2 LYS A 46 8.386 -20.036 -10.467 1.00 24.03 H new ATOM 0 HD3 LYS A 46 6.809 -19.273 -10.427 1.00 24.03 H new ATOM 0 HE2 LYS A 46 5.717 -21.432 -10.024 1.00 73.10 H new ATOM 0 HE3 LYS A 46 7.239 -22.279 -10.217 1.00 73.10 H new ATOM 0 HZ1 LYS A 46 6.692 -21.980 -7.891 1.00 11.25 H new ATOM 0 HZ2 LYS A 46 8.103 -21.115 -8.270 1.00 11.25 H new ATOM 0 HZ3 LYS A 46 6.628 -20.294 -8.083 1.00 11.25 H new ATOM 697 N VAL A 47 6.065 -18.857 -15.763 1.00 52.32 N ATOM 698 CA VAL A 47 6.935 -18.151 -16.696 1.00 24.12 C ATOM 699 C VAL A 47 7.238 -16.740 -16.205 1.00 53.31 C ATOM 700 O VAL A 47 6.501 -15.791 -16.475 1.00 44.34 O ATOM 701 CB VAL A 47 6.307 -18.071 -18.100 1.00 14.04 C ATOM 702 CG1 VAL A 47 7.256 -17.388 -19.072 1.00 40.10 C ATOM 703 CG2 VAL A 47 5.931 -19.459 -18.595 1.00 21.53 C ATOM 0 H VAL A 47 5.113 -18.494 -15.718 1.00 52.32 H new ATOM 0 HA VAL A 47 7.863 -18.719 -16.754 1.00 24.12 H new ATOM 0 HB VAL A 47 5.397 -17.474 -18.038 1.00 14.04 H new ATOM 0 HG11 VAL A 47 6.795 -17.341 -20.058 1.00 40.10 H new ATOM 0 HG12 VAL A 47 7.470 -16.378 -18.723 1.00 40.10 H new ATOM 0 HG13 VAL A 47 8.185 -17.955 -19.133 1.00 40.10 H new ATOM 0 HG21 VAL A 47 5.489 -19.384 -19.588 1.00 21.53 H new ATOM 0 HG22 VAL A 47 6.824 -20.083 -18.642 1.00 21.53 H new ATOM 0 HG23 VAL A 47 5.211 -19.907 -17.910 1.00 21.53 H new ATOM 713 N PRO A 48 8.348 -16.595 -15.466 1.00 34.30 N ATOM 714 CA PRO A 48 8.775 -15.302 -14.924 1.00 64.14 C ATOM 715 C PRO A 48 9.258 -14.349 -16.012 1.00 51.14 C ATOM 716 O PRO A 48 9.972 -14.751 -16.931 1.00 11.33 O ATOM 717 CB PRO A 48 9.929 -15.673 -13.989 1.00 34.33 C ATOM 718 CG PRO A 48 10.456 -16.958 -14.529 1.00 1.43 C ATOM 719 CD PRO A 48 9.271 -17.683 -15.103 1.00 31.53 C ATOM 0 HA PRO A 48 7.958 -14.778 -14.428 1.00 64.14 H new ATOM 0 HB2 PRO A 48 10.698 -14.901 -13.984 1.00 34.33 H new ATOM 0 HB3 PRO A 48 9.585 -15.787 -12.961 1.00 34.33 H new ATOM 0 HG2 PRO A 48 11.212 -16.779 -15.294 1.00 1.43 H new ATOM 0 HG3 PRO A 48 10.930 -17.546 -13.743 1.00 1.43 H new ATOM 0 HD2 PRO A 48 9.548 -18.281 -15.971 1.00 31.53 H new ATOM 0 HD3 PRO A 48 8.825 -18.362 -14.377 1.00 31.53 H new ATOM 727 N ALA A 49 8.864 -13.085 -15.902 1.00 53.55 N ATOM 728 CA ALA A 49 9.260 -12.074 -16.875 1.00 12.51 C ATOM 729 C ALA A 49 9.177 -10.674 -16.276 1.00 54.51 C ATOM 730 O ALA A 49 8.113 -10.241 -15.834 1.00 11.32 O ATOM 731 CB ALA A 49 8.391 -12.170 -18.120 1.00 14.30 C ATOM 0 H ALA A 49 8.271 -12.736 -15.149 1.00 53.55 H new ATOM 0 HA ALA A 49 10.297 -12.261 -17.154 1.00 12.51 H new ATOM 0 HB1 ALA A 49 8.698 -11.409 -18.838 1.00 14.30 H new ATOM 0 HB2 ALA A 49 8.504 -13.157 -18.567 1.00 14.30 H new ATOM 0 HB3 ALA A 49 7.347 -12.012 -17.848 1.00 14.30 H new ATOM 737 N GLN A 50 10.305 -9.972 -16.265 1.00 41.42 N ATOM 738 CA GLN A 50 10.359 -8.621 -15.719 1.00 13.24 C ATOM 739 C GLN A 50 11.555 -7.856 -16.275 1.00 10.41 C ATOM 740 O GLN A 50 12.443 -8.439 -16.896 1.00 73.11 O ATOM 741 CB GLN A 50 10.434 -8.668 -14.192 1.00 20.54 C ATOM 742 CG GLN A 50 11.545 -9.562 -13.665 1.00 4.12 C ATOM 743 CD GLN A 50 12.054 -9.121 -12.306 1.00 62.15 C ATOM 744 OE1 GLN A 50 11.407 -9.349 -11.284 1.00 73.03 O ATOM 745 NE2 GLN A 50 13.220 -8.486 -12.288 1.00 42.24 N ATOM 0 H GLN A 50 11.194 -10.316 -16.628 1.00 41.42 H new ATOM 0 HA GLN A 50 9.448 -8.100 -16.015 1.00 13.24 H new ATOM 0 HB2 GLN A 50 10.582 -7.657 -13.812 1.00 20.54 H new ATOM 0 HB3 GLN A 50 9.479 -9.019 -13.800 1.00 20.54 H new ATOM 0 HG2 GLN A 50 11.180 -10.587 -13.597 1.00 4.12 H new ATOM 0 HG3 GLN A 50 12.372 -9.565 -14.375 1.00 4.12 H new ATOM 0 HE21 GLN A 50 13.723 -8.318 -13.159 1.00 42.24 H new ATOM 0 HE22 GLN A 50 13.613 -8.166 -11.403 1.00 42.24 H new ATOM 754 N MET A 51 11.571 -6.546 -16.048 1.00 22.33 N ATOM 755 CA MET A 51 12.660 -5.702 -16.525 1.00 52.43 C ATOM 756 C MET A 51 13.747 -5.564 -15.464 1.00 62.54 C ATOM 757 O MET A 51 13.464 -5.575 -14.267 1.00 32.30 O ATOM 758 CB MET A 51 12.130 -4.319 -16.911 1.00 33.22 C ATOM 759 CG MET A 51 13.226 -3.312 -17.217 1.00 0.42 C ATOM 760 SD MET A 51 12.577 -1.674 -17.599 1.00 52.52 S ATOM 761 CE MET A 51 13.456 -0.673 -16.401 1.00 54.03 C ATOM 0 H MET A 51 10.843 -6.047 -15.537 1.00 22.33 H new ATOM 0 HA MET A 51 13.095 -6.176 -17.405 1.00 52.43 H new ATOM 0 HB2 MET A 51 11.484 -4.417 -17.784 1.00 33.22 H new ATOM 0 HB3 MET A 51 11.512 -3.936 -16.099 1.00 33.22 H new ATOM 0 HG2 MET A 51 13.899 -3.242 -16.362 1.00 0.42 H new ATOM 0 HG3 MET A 51 13.818 -3.670 -18.060 1.00 0.42 H new ATOM 0 HE1 MET A 51 13.666 0.307 -16.830 1.00 54.03 H new ATOM 0 HE2 MET A 51 12.844 -0.554 -15.507 1.00 54.03 H new ATOM 0 HE3 MET A 51 14.393 -1.162 -16.136 1.00 54.03 H new ATOM 771 N ALA A 52 14.992 -5.436 -15.912 1.00 52.03 N ATOM 772 CA ALA A 52 16.121 -5.296 -15.001 1.00 51.12 C ATOM 773 C ALA A 52 16.967 -4.079 -15.358 1.00 51.45 C ATOM 774 O ALA A 52 17.594 -4.035 -16.417 1.00 10.30 O ATOM 775 CB ALA A 52 16.973 -6.557 -15.019 1.00 13.54 C ATOM 0 H ALA A 52 15.244 -5.426 -16.900 1.00 52.03 H new ATOM 0 HA ALA A 52 15.728 -5.150 -13.995 1.00 51.12 H new ATOM 0 HB1 ALA A 52 17.813 -6.439 -14.334 1.00 13.54 H new ATOM 0 HB2 ALA A 52 16.368 -7.409 -14.708 1.00 13.54 H new ATOM 0 HB3 ALA A 52 17.349 -6.728 -16.028 1.00 13.54 H new ATOM 781 N VAL A 53 16.980 -3.091 -14.469 1.00 13.20 N ATOM 782 CA VAL A 53 17.749 -1.872 -14.691 1.00 31.22 C ATOM 783 C VAL A 53 19.233 -2.181 -14.856 1.00 75.33 C ATOM 784 O VAL A 53 19.923 -1.552 -15.658 1.00 54.23 O ATOM 785 CB VAL A 53 17.570 -0.876 -13.530 1.00 34.13 C ATOM 786 CG1 VAL A 53 16.141 -0.356 -13.488 1.00 33.33 C ATOM 787 CG2 VAL A 53 17.948 -1.526 -12.207 1.00 63.15 C ATOM 0 H VAL A 53 16.467 -3.111 -13.588 1.00 13.20 H new ATOM 0 HA VAL A 53 17.370 -1.421 -15.608 1.00 31.22 H new ATOM 0 HB VAL A 53 18.235 -0.029 -13.696 1.00 34.13 H new ATOM 0 HG11 VAL A 53 16.034 0.346 -12.661 1.00 33.33 H new ATOM 0 HG12 VAL A 53 15.910 0.149 -14.426 1.00 33.33 H new ATOM 0 HG13 VAL A 53 15.454 -1.190 -13.347 1.00 33.33 H new ATOM 0 HG21 VAL A 53 17.815 -0.808 -11.398 1.00 63.15 H new ATOM 0 HG22 VAL A 53 17.310 -2.392 -12.032 1.00 63.15 H new ATOM 0 HG23 VAL A 53 18.990 -1.844 -12.243 1.00 63.15 H new ATOM 797 N ASP A 54 19.717 -3.155 -14.093 1.00 10.40 N ATOM 798 CA ASP A 54 21.120 -3.549 -14.155 1.00 53.31 C ATOM 799 C ASP A 54 21.288 -5.018 -13.782 1.00 23.15 C ATOM 800 O ASP A 54 20.310 -5.722 -13.535 1.00 75.24 O ATOM 801 CB ASP A 54 21.959 -2.673 -13.223 1.00 62.14 C ATOM 802 CG ASP A 54 21.995 -1.224 -13.667 1.00 12.10 C ATOM 803 OD1 ASP A 54 22.886 -0.869 -14.467 1.00 23.52 O ATOM 804 OD2 ASP A 54 21.131 -0.444 -13.215 1.00 75.21 O ATOM 0 H ASP A 54 19.159 -3.686 -13.425 1.00 10.40 H new ATOM 0 HA ASP A 54 21.466 -3.411 -15.179 1.00 53.31 H new ATOM 0 HB2 ASP A 54 21.554 -2.730 -12.213 1.00 62.14 H new ATOM 0 HB3 ASP A 54 22.976 -3.062 -13.181 1.00 62.14 H new ATOM 809 N MET A 55 22.536 -5.474 -13.742 1.00 41.05 N ATOM 810 CA MET A 55 22.833 -6.860 -13.399 1.00 15.23 C ATOM 811 C MET A 55 23.414 -6.959 -11.992 1.00 12.52 C ATOM 812 O MET A 55 24.028 -7.963 -11.634 1.00 60.22 O ATOM 813 CB MET A 55 23.810 -7.461 -14.410 1.00 42.24 C ATOM 814 CG MET A 55 25.150 -6.745 -14.459 1.00 63.14 C ATOM 815 SD MET A 55 26.527 -7.816 -14.001 1.00 53.11 S ATOM 816 CE MET A 55 27.905 -6.684 -14.164 1.00 42.13 C ATOM 0 H MET A 55 23.358 -4.904 -13.943 1.00 41.05 H new ATOM 0 HA MET A 55 21.900 -7.423 -13.429 1.00 15.23 H new ATOM 0 HB2 MET A 55 23.976 -8.510 -14.163 1.00 42.24 H new ATOM 0 HB3 MET A 55 23.357 -7.435 -15.401 1.00 42.24 H new ATOM 0 HG2 MET A 55 25.314 -6.358 -15.465 1.00 63.14 H new ATOM 0 HG3 MET A 55 25.124 -5.887 -13.788 1.00 63.14 H new ATOM 0 HE1 MET A 55 28.832 -7.200 -13.913 1.00 42.13 H new ATOM 0 HE2 MET A 55 27.958 -6.321 -15.190 1.00 42.13 H new ATOM 0 HE3 MET A 55 27.765 -5.841 -13.488 1.00 42.13 H new ATOM 826 N GLN A 56 23.216 -5.910 -11.200 1.00 12.14 N ATOM 827 CA GLN A 56 23.722 -5.880 -9.833 1.00 1.55 C ATOM 828 C GLN A 56 22.701 -6.462 -8.861 1.00 23.51 C ATOM 829 O GLN A 56 23.022 -7.340 -8.059 1.00 31.24 O ATOM 830 CB GLN A 56 24.070 -4.446 -9.427 1.00 35.24 C ATOM 831 CG GLN A 56 25.319 -3.908 -10.105 1.00 52.40 C ATOM 832 CD GLN A 56 26.591 -4.524 -9.558 1.00 45.32 C ATOM 833 OE1 GLN A 56 27.297 -5.246 -10.262 1.00 63.43 O ATOM 834 NE2 GLN A 56 26.892 -4.240 -8.296 1.00 71.32 N ATOM 0 H GLN A 56 22.709 -5.071 -11.481 1.00 12.14 H new ATOM 0 HA GLN A 56 24.624 -6.491 -9.793 1.00 1.55 H new ATOM 0 HB2 GLN A 56 23.229 -3.795 -9.665 1.00 35.24 H new ATOM 0 HB3 GLN A 56 24.208 -4.406 -8.346 1.00 35.24 H new ATOM 0 HG2 GLN A 56 25.258 -4.101 -11.176 1.00 52.40 H new ATOM 0 HG3 GLN A 56 25.360 -2.826 -9.978 1.00 52.40 H new ATOM 0 HE21 GLN A 56 26.278 -3.637 -7.749 1.00 71.32 H new ATOM 0 HE22 GLN A 56 27.737 -4.625 -7.874 1.00 71.32 H new ATOM 843 N THR A 57 21.469 -5.969 -8.938 1.00 3.34 N ATOM 844 CA THR A 57 20.402 -6.439 -8.064 1.00 74.33 C ATOM 845 C THR A 57 19.250 -7.027 -8.872 1.00 12.23 C ATOM 846 O THR A 57 18.615 -7.996 -8.453 1.00 1.23 O ATOM 847 CB THR A 57 19.863 -5.304 -7.174 1.00 13.21 C ATOM 848 OG1 THR A 57 19.196 -4.325 -7.978 1.00 55.14 O ATOM 849 CG2 THR A 57 20.991 -4.644 -6.396 1.00 22.33 C ATOM 0 H THR A 57 21.186 -5.244 -9.597 1.00 3.34 H new ATOM 0 HA THR A 57 20.831 -7.214 -7.430 1.00 74.33 H new ATOM 0 HB THR A 57 19.156 -5.734 -6.464 1.00 13.21 H new ATOM 0 HG1 THR A 57 18.855 -3.608 -7.404 1.00 55.14 H new ATOM 0 HG21 THR A 57 20.586 -3.845 -5.775 1.00 22.33 H new ATOM 0 HG22 THR A 57 21.478 -5.385 -5.762 1.00 22.33 H new ATOM 0 HG23 THR A 57 21.719 -4.228 -7.093 1.00 22.33 H new ATOM 857 N LEU A 58 18.985 -6.436 -10.031 1.00 55.24 N ATOM 858 CA LEU A 58 17.908 -6.901 -10.899 1.00 31.42 C ATOM 859 C LEU A 58 16.563 -6.830 -10.183 1.00 53.45 C ATOM 860 O LEU A 58 15.813 -7.806 -10.146 1.00 65.43 O ATOM 861 CB LEU A 58 18.179 -8.336 -11.356 1.00 42.45 C ATOM 862 CG LEU A 58 19.524 -8.578 -12.043 1.00 53.14 C ATOM 863 CD1 LEU A 58 20.468 -9.330 -11.118 1.00 74.55 C ATOM 864 CD2 LEU A 58 19.328 -9.342 -13.345 1.00 14.22 C ATOM 0 H LEU A 58 19.501 -5.634 -10.392 1.00 55.24 H new ATOM 0 HA LEU A 58 17.870 -6.249 -11.771 1.00 31.42 H new ATOM 0 HB2 LEU A 58 18.114 -8.991 -10.487 1.00 42.45 H new ATOM 0 HB3 LEU A 58 17.385 -8.634 -12.040 1.00 42.45 H new ATOM 0 HG LEU A 58 19.971 -7.611 -12.276 1.00 53.14 H new ATOM 0 HD11 LEU A 58 21.420 -9.493 -11.624 1.00 74.55 H new ATOM 0 HD12 LEU A 58 20.633 -8.745 -10.213 1.00 74.55 H new ATOM 0 HD13 LEU A 58 20.028 -10.292 -10.853 1.00 74.55 H new ATOM 0 HD21 LEU A 58 20.295 -9.505 -13.820 1.00 14.22 H new ATOM 0 HD22 LEU A 58 18.860 -10.304 -13.136 1.00 14.22 H new ATOM 0 HD23 LEU A 58 18.689 -8.765 -14.013 1.00 14.22 H new ATOM 876 N THR A 59 16.260 -5.665 -9.617 1.00 65.34 N ATOM 877 CA THR A 59 15.005 -5.465 -8.904 1.00 64.12 C ATOM 878 C THR A 59 13.819 -5.497 -9.860 1.00 54.34 C ATOM 879 O THR A 59 13.934 -5.172 -11.042 1.00 60.04 O ATOM 880 CB THR A 59 15.000 -4.127 -8.141 1.00 51.14 C ATOM 881 OG1 THR A 59 15.796 -3.162 -8.838 1.00 63.45 O ATOM 882 CG2 THR A 59 15.534 -4.307 -6.729 1.00 21.25 C ATOM 0 H THR A 59 16.867 -4.846 -9.639 1.00 65.34 H new ATOM 0 HA THR A 59 14.913 -6.283 -8.189 1.00 64.12 H new ATOM 0 HB THR A 59 13.971 -3.773 -8.081 1.00 51.14 H new ATOM 0 HG1 THR A 59 15.786 -2.314 -8.347 1.00 63.45 H new ATOM 0 HG21 THR A 59 15.521 -3.349 -6.210 1.00 21.25 H new ATOM 0 HG22 THR A 59 14.908 -5.019 -6.191 1.00 21.25 H new ATOM 0 HG23 THR A 59 16.556 -4.682 -6.772 1.00 21.25 H new ATOM 890 N PRO A 60 12.649 -5.896 -9.340 1.00 32.21 N ATOM 891 CA PRO A 60 11.417 -5.979 -10.131 1.00 3.41 C ATOM 892 C PRO A 60 10.886 -4.604 -10.521 1.00 50.41 C ATOM 893 O PRO A 60 10.669 -3.745 -9.666 1.00 32.11 O ATOM 894 CB PRO A 60 10.437 -6.683 -9.189 1.00 44.02 C ATOM 895 CG PRO A 60 10.941 -6.378 -7.821 1.00 1.31 C ATOM 896 CD PRO A 60 12.438 -6.298 -7.939 1.00 0.21 C ATOM 0 HA PRO A 60 11.573 -6.502 -11.074 1.00 3.41 H new ATOM 0 HB2 PRO A 60 9.421 -6.314 -9.328 1.00 44.02 H new ATOM 0 HB3 PRO A 60 10.414 -7.757 -9.372 1.00 44.02 H new ATOM 0 HG2 PRO A 60 10.528 -5.439 -7.453 1.00 1.31 H new ATOM 0 HG3 PRO A 60 10.646 -7.154 -7.115 1.00 1.31 H new ATOM 0 HD2 PRO A 60 12.857 -5.570 -7.245 1.00 0.21 H new ATOM 0 HD3 PRO A 60 12.910 -7.256 -7.720 1.00 0.21 H new ATOM 904 N VAL A 61 10.678 -4.401 -11.818 1.00 50.13 N ATOM 905 CA VAL A 61 10.170 -3.130 -12.322 1.00 25.22 C ATOM 906 C VAL A 61 9.175 -3.347 -13.456 1.00 13.42 C ATOM 907 O VAL A 61 9.376 -4.201 -14.318 1.00 51.30 O ATOM 908 CB VAL A 61 11.314 -2.228 -12.823 1.00 11.14 C ATOM 909 CG1 VAL A 61 12.095 -1.656 -11.650 1.00 4.51 C ATOM 910 CG2 VAL A 61 12.231 -3.001 -13.759 1.00 11.34 C ATOM 0 H VAL A 61 10.853 -5.101 -12.539 1.00 50.13 H new ATOM 0 HA VAL A 61 9.666 -2.638 -11.490 1.00 25.22 H new ATOM 0 HB VAL A 61 10.881 -1.397 -13.380 1.00 11.14 H new ATOM 0 HG11 VAL A 61 12.899 -1.022 -12.023 1.00 4.51 H new ATOM 0 HG12 VAL A 61 11.428 -1.065 -11.022 1.00 4.51 H new ATOM 0 HG13 VAL A 61 12.519 -2.471 -11.063 1.00 4.51 H new ATOM 0 HG21 VAL A 61 13.033 -2.348 -14.103 1.00 11.34 H new ATOM 0 HG22 VAL A 61 12.658 -3.852 -13.229 1.00 11.34 H new ATOM 0 HG23 VAL A 61 11.660 -3.357 -14.616 1.00 11.34 H new ATOM 920 N GLY A 62 8.099 -2.566 -13.448 1.00 54.44 N ATOM 921 CA GLY A 62 7.087 -2.687 -14.482 1.00 11.13 C ATOM 922 C GLY A 62 5.858 -3.435 -14.005 1.00 13.34 C ATOM 923 O GLY A 62 5.956 -4.340 -13.176 1.00 2.42 O ATOM 0 H GLY A 62 7.910 -1.852 -12.745 1.00 54.44 H new ATOM 0 HA2 GLY A 62 6.795 -1.692 -14.819 1.00 11.13 H new ATOM 0 HA3 GLY A 62 7.511 -3.203 -15.343 1.00 11.13 H new ATOM 927 N ARG A 63 4.696 -3.055 -14.527 1.00 62.35 N ATOM 928 CA ARG A 63 3.442 -3.696 -14.149 1.00 4.31 C ATOM 929 C ARG A 63 3.002 -4.699 -15.211 1.00 23.43 C ATOM 930 O ARG A 63 3.234 -4.499 -16.404 1.00 23.23 O ATOM 931 CB ARG A 63 2.350 -2.645 -13.942 1.00 4.44 C ATOM 932 CG ARG A 63 1.156 -3.155 -13.152 1.00 52.14 C ATOM 933 CD ARG A 63 1.332 -2.919 -11.661 1.00 13.45 C ATOM 934 NE ARG A 63 0.068 -3.025 -10.937 1.00 33.53 N ATOM 935 CZ ARG A 63 -0.014 -3.246 -9.629 1.00 71.14 C ATOM 936 NH1 ARG A 63 1.089 -3.382 -8.906 1.00 71.03 N ATOM 937 NH2 ARG A 63 -1.201 -3.331 -9.043 1.00 12.54 N ATOM 0 H ARG A 63 4.597 -2.306 -15.213 1.00 62.35 H new ATOM 0 HA ARG A 63 3.604 -4.231 -13.213 1.00 4.31 H new ATOM 0 HB2 ARG A 63 2.777 -1.786 -13.424 1.00 4.44 H new ATOM 0 HB3 ARG A 63 2.008 -2.293 -14.915 1.00 4.44 H new ATOM 0 HG2 ARG A 63 0.251 -2.655 -13.496 1.00 52.14 H new ATOM 0 HG3 ARG A 63 1.023 -4.220 -13.339 1.00 52.14 H new ATOM 0 HD2 ARG A 63 2.041 -3.644 -11.261 1.00 13.45 H new ATOM 0 HD3 ARG A 63 1.761 -1.930 -11.499 1.00 13.45 H new ATOM 0 HE ARG A 63 -0.799 -2.924 -11.464 1.00 33.53 H new ATOM 0 HH11 ARG A 63 2.003 -3.317 -9.353 1.00 71.03 H new ATOM 0 HH12 ARG A 63 1.023 -3.552 -7.902 1.00 71.03 H new ATOM 0 HH21 ARG A 63 -2.052 -3.227 -9.596 1.00 12.54 H new ATOM 0 HH22 ARG A 63 -1.263 -3.501 -8.039 1.00 12.54 H new ATOM 951 N LEU A 64 2.367 -5.779 -14.769 1.00 71.22 N ATOM 952 CA LEU A 64 1.893 -6.815 -15.681 1.00 42.42 C ATOM 953 C LEU A 64 0.426 -6.596 -16.038 1.00 65.34 C ATOM 954 O LEU A 64 -0.390 -6.267 -15.177 1.00 62.41 O ATOM 955 CB LEU A 64 2.077 -8.197 -15.054 1.00 32.53 C ATOM 956 CG LEU A 64 3.444 -8.851 -15.258 1.00 30.11 C ATOM 957 CD1 LEU A 64 3.650 -9.213 -16.721 1.00 15.14 C ATOM 958 CD2 LEU A 64 4.554 -7.929 -14.774 1.00 35.25 C ATOM 0 H LEU A 64 2.168 -5.960 -13.785 1.00 71.22 H new ATOM 0 HA LEU A 64 2.483 -6.757 -16.596 1.00 42.42 H new ATOM 0 HB2 LEU A 64 1.892 -8.115 -13.983 1.00 32.53 H new ATOM 0 HB3 LEU A 64 1.314 -8.862 -15.459 1.00 32.53 H new ATOM 0 HG LEU A 64 3.478 -9.768 -14.670 1.00 30.11 H new ATOM 0 HD11 LEU A 64 4.628 -9.677 -16.847 1.00 15.14 H new ATOM 0 HD12 LEU A 64 2.874 -9.911 -17.036 1.00 15.14 H new ATOM 0 HD13 LEU A 64 3.596 -8.311 -17.330 1.00 15.14 H new ATOM 0 HD21 LEU A 64 5.520 -8.411 -14.927 1.00 35.25 H new ATOM 0 HD22 LEU A 64 4.522 -6.995 -15.335 1.00 35.25 H new ATOM 0 HD23 LEU A 64 4.417 -7.720 -13.713 1.00 35.25 H new ATOM 970 N ILE A 65 0.099 -6.783 -17.312 1.00 70.44 N ATOM 971 CA ILE A 65 -1.270 -6.610 -17.782 1.00 42.32 C ATOM 972 C ILE A 65 -2.015 -7.940 -17.809 1.00 1.10 C ATOM 973 O ILE A 65 -3.167 -8.028 -17.384 1.00 33.12 O ATOM 974 CB ILE A 65 -1.307 -5.985 -19.189 1.00 50.15 C ATOM 975 CG1 ILE A 65 -0.555 -4.653 -19.200 1.00 2.42 C ATOM 976 CG2 ILE A 65 -2.746 -5.791 -19.645 1.00 4.31 C ATOM 977 CD1 ILE A 65 0.917 -4.792 -19.521 1.00 31.14 C ATOM 0 H ILE A 65 0.763 -7.054 -18.037 1.00 70.44 H new ATOM 0 HA ILE A 65 -1.761 -5.936 -17.080 1.00 42.32 H new ATOM 0 HB ILE A 65 -0.814 -6.664 -19.885 1.00 50.15 H new ATOM 0 HG12 ILE A 65 -1.017 -3.990 -19.932 1.00 2.42 H new ATOM 0 HG13 ILE A 65 -0.663 -4.176 -18.226 1.00 2.42 H new ATOM 0 HG21 ILE A 65 -2.756 -5.348 -20.641 1.00 4.31 H new ATOM 0 HG22 ILE A 65 -3.252 -6.756 -19.672 1.00 4.31 H new ATOM 0 HG23 ILE A 65 -3.262 -5.130 -18.949 1.00 4.31 H new ATOM 0 HD11 ILE A 65 1.386 -3.808 -19.511 1.00 31.14 H new ATOM 0 HD12 ILE A 65 1.393 -5.429 -18.775 1.00 31.14 H new ATOM 0 HD13 ILE A 65 1.033 -5.240 -20.508 1.00 31.14 H new ATOM 989 N THR A 66 -1.348 -8.975 -18.310 1.00 74.42 N ATOM 990 CA THR A 66 -1.946 -10.302 -18.391 1.00 71.13 C ATOM 991 C THR A 66 -2.437 -10.769 -17.026 1.00 3.45 C ATOM 992 O THR A 66 -2.219 -10.100 -16.016 1.00 3.04 O ATOM 993 CB THR A 66 -0.947 -11.335 -18.946 1.00 31.34 C ATOM 994 OG1 THR A 66 -1.621 -12.568 -19.224 1.00 41.32 O ATOM 995 CG2 THR A 66 0.182 -11.581 -17.956 1.00 60.23 C ATOM 0 H THR A 66 -0.394 -8.920 -18.666 1.00 74.42 H new ATOM 0 HA THR A 66 -2.794 -10.225 -19.071 1.00 71.13 H new ATOM 0 HB THR A 66 -0.522 -10.938 -19.868 1.00 31.34 H new ATOM 0 HG1 THR A 66 -1.089 -13.097 -19.854 1.00 41.32 H new ATOM 0 HG21 THR A 66 0.875 -12.314 -18.369 1.00 60.23 H new ATOM 0 HG22 THR A 66 0.711 -10.647 -17.768 1.00 60.23 H new ATOM 0 HG23 THR A 66 -0.230 -11.959 -17.020 1.00 60.23 H new ATOM 1003 N ALA A 67 -3.100 -11.920 -17.002 1.00 22.13 N ATOM 1004 CA ALA A 67 -3.619 -12.477 -15.759 1.00 23.32 C ATOM 1005 C ALA A 67 -2.733 -13.611 -15.253 1.00 43.31 C ATOM 1006 O ALA A 67 -2.209 -13.553 -14.141 1.00 74.13 O ATOM 1007 CB ALA A 67 -5.046 -12.968 -15.955 1.00 45.34 C ATOM 0 H ALA A 67 -3.291 -12.485 -17.829 1.00 22.13 H new ATOM 0 HA ALA A 67 -3.618 -11.687 -15.008 1.00 23.32 H new ATOM 0 HB1 ALA A 67 -5.420 -13.381 -15.018 1.00 45.34 H new ATOM 0 HB2 ALA A 67 -5.678 -12.135 -16.263 1.00 45.34 H new ATOM 0 HB3 ALA A 67 -5.063 -13.740 -16.725 1.00 45.34 H new ATOM 1013 N ASN A 68 -2.570 -14.641 -16.077 1.00 44.31 N ATOM 1014 CA ASN A 68 -1.748 -15.789 -15.712 1.00 42.10 C ATOM 1015 C ASN A 68 -1.470 -16.668 -16.928 1.00 13.12 C ATOM 1016 O ASN A 68 -2.034 -17.751 -17.084 1.00 34.15 O ATOM 1017 CB ASN A 68 -2.438 -16.611 -14.622 1.00 13.44 C ATOM 1018 CG ASN A 68 -1.683 -17.883 -14.291 1.00 61.41 C ATOM 1019 OD1 ASN A 68 -0.538 -17.840 -13.841 1.00 42.32 O ATOM 1020 ND2 ASN A 68 -2.323 -19.026 -14.514 1.00 3.43 N ATOM 0 H ASN A 68 -2.996 -14.704 -17.002 1.00 44.31 H new ATOM 0 HA ASN A 68 -0.797 -15.417 -15.330 1.00 42.10 H new ATOM 0 HB2 ASN A 68 -2.536 -16.005 -13.721 1.00 13.44 H new ATOM 0 HB3 ASN A 68 -3.447 -16.865 -14.946 1.00 13.44 H new ATOM 0 HD21 ASN A 68 -1.865 -19.915 -14.311 1.00 3.43 H new ATOM 0 HD22 ASN A 68 -3.272 -19.015 -14.888 1.00 3.43 H new ATOM 1027 N PRO A 69 -0.580 -16.192 -17.811 1.00 23.32 N ATOM 1028 CA PRO A 69 -0.207 -16.919 -19.028 1.00 44.32 C ATOM 1029 C PRO A 69 0.612 -18.170 -18.729 1.00 35.22 C ATOM 1030 O PRO A 69 1.586 -18.122 -17.978 1.00 30.21 O ATOM 1031 CB PRO A 69 0.635 -15.902 -19.804 1.00 22.42 C ATOM 1032 CG PRO A 69 1.183 -14.990 -18.761 1.00 53.23 C ATOM 1033 CD PRO A 69 0.132 -14.909 -17.688 1.00 61.05 C ATOM 0 HA PRO A 69 -1.081 -17.275 -19.573 1.00 44.32 H new ATOM 0 HB2 PRO A 69 1.434 -16.392 -20.361 1.00 22.42 H new ATOM 0 HB3 PRO A 69 0.029 -15.357 -20.528 1.00 22.42 H new ATOM 0 HG2 PRO A 69 2.121 -15.374 -18.360 1.00 53.23 H new ATOM 0 HG3 PRO A 69 1.394 -14.004 -19.176 1.00 53.23 H new ATOM 0 HD2 PRO A 69 0.575 -14.788 -16.700 1.00 61.05 H new ATOM 0 HD3 PRO A 69 -0.536 -14.062 -17.843 1.00 61.05 H new ATOM 1041 N VAL A 70 0.210 -19.290 -19.321 1.00 75.30 N ATOM 1042 CA VAL A 70 0.906 -20.555 -19.118 1.00 43.12 C ATOM 1043 C VAL A 70 0.923 -21.384 -20.397 1.00 63.23 C ATOM 1044 O VAL A 70 0.098 -21.185 -21.289 1.00 35.51 O ATOM 1045 CB VAL A 70 0.255 -21.380 -17.993 1.00 32.42 C ATOM 1046 CG1 VAL A 70 0.266 -20.603 -16.685 1.00 71.23 C ATOM 1047 CG2 VAL A 70 -1.163 -21.776 -18.375 1.00 73.24 C ATOM 0 H VAL A 70 -0.595 -19.347 -19.945 1.00 75.30 H new ATOM 0 HA VAL A 70 1.929 -20.311 -18.833 1.00 43.12 H new ATOM 0 HB VAL A 70 0.837 -22.291 -17.851 1.00 32.42 H new ATOM 0 HG11 VAL A 70 -0.198 -21.202 -15.902 1.00 71.23 H new ATOM 0 HG12 VAL A 70 1.295 -20.375 -16.406 1.00 71.23 H new ATOM 0 HG13 VAL A 70 -0.291 -19.674 -16.809 1.00 71.23 H new ATOM 0 HG21 VAL A 70 -1.608 -22.359 -17.568 1.00 73.24 H new ATOM 0 HG22 VAL A 70 -1.758 -20.879 -18.545 1.00 73.24 H new ATOM 0 HG23 VAL A 70 -1.141 -22.375 -19.285 1.00 73.24 H new ATOM 1057 N ILE A 71 1.869 -22.314 -20.480 1.00 74.32 N ATOM 1058 CA ILE A 71 1.992 -23.175 -21.650 1.00 44.22 C ATOM 1059 C ILE A 71 1.384 -24.548 -21.389 1.00 71.51 C ATOM 1060 O ILE A 71 1.730 -25.219 -20.416 1.00 64.21 O ATOM 1061 CB ILE A 71 3.465 -23.349 -22.068 1.00 15.12 C ATOM 1062 CG1 ILE A 71 4.158 -21.987 -22.153 1.00 34.53 C ATOM 1063 CG2 ILE A 71 3.554 -24.079 -23.399 1.00 65.24 C ATOM 1064 CD1 ILE A 71 3.576 -21.079 -23.213 1.00 45.31 C ATOM 0 H ILE A 71 2.561 -22.490 -19.752 1.00 74.32 H new ATOM 0 HA ILE A 71 1.448 -22.688 -22.459 1.00 44.22 H new ATOM 0 HB ILE A 71 3.974 -23.948 -21.313 1.00 15.12 H new ATOM 0 HG12 ILE A 71 4.089 -21.492 -21.184 1.00 34.53 H new ATOM 0 HG13 ILE A 71 5.218 -22.140 -22.358 1.00 34.53 H new ATOM 0 HG21 ILE A 71 4.600 -24.195 -23.681 1.00 65.24 H new ATOM 0 HG22 ILE A 71 3.092 -25.062 -23.306 1.00 65.24 H new ATOM 0 HG23 ILE A 71 3.033 -23.504 -24.165 1.00 65.24 H new ATOM 0 HD11 ILE A 71 4.115 -20.132 -23.217 1.00 45.31 H new ATOM 0 HD12 ILE A 71 3.669 -21.554 -24.190 1.00 45.31 H new ATOM 0 HD13 ILE A 71 2.523 -20.896 -22.997 1.00 45.31 H new ATOM 1076 N THR A 72 0.475 -24.964 -22.266 1.00 12.50 N ATOM 1077 CA THR A 72 -0.182 -26.258 -22.131 1.00 40.54 C ATOM 1078 C THR A 72 0.281 -27.224 -23.215 1.00 61.50 C ATOM 1079 O THR A 72 0.420 -28.423 -22.972 1.00 0.44 O ATOM 1080 CB THR A 72 -1.715 -26.120 -22.203 1.00 5.21 C ATOM 1081 OG1 THR A 72 -2.085 -25.360 -23.359 1.00 3.02 O ATOM 1082 CG2 THR A 72 -2.256 -25.445 -20.952 1.00 32.34 C ATOM 0 H THR A 72 0.177 -24.423 -23.078 1.00 12.50 H new ATOM 0 HA THR A 72 0.094 -26.653 -21.153 1.00 40.54 H new ATOM 0 HB THR A 72 -2.145 -27.119 -22.273 1.00 5.21 H new ATOM 0 HG1 THR A 72 -3.061 -25.278 -23.398 1.00 3.02 H new ATOM 0 HG21 THR A 72 -3.340 -25.358 -21.025 1.00 32.34 H new ATOM 0 HG22 THR A 72 -1.998 -26.041 -20.077 1.00 32.34 H new ATOM 0 HG23 THR A 72 -1.818 -24.451 -20.856 1.00 32.34 H new ATOM 1090 N GLU A 73 0.519 -26.696 -24.411 1.00 50.23 N ATOM 1091 CA GLU A 73 0.965 -27.514 -25.533 1.00 30.44 C ATOM 1092 C GLU A 73 2.187 -28.343 -25.149 1.00 24.33 C ATOM 1093 O GLU A 73 3.080 -27.865 -24.450 1.00 4.14 O ATOM 1094 CB GLU A 73 1.292 -26.632 -26.739 1.00 0.21 C ATOM 1095 CG GLU A 73 0.066 -26.023 -27.398 1.00 13.01 C ATOM 1096 CD GLU A 73 -1.007 -27.052 -27.697 1.00 14.23 C ATOM 1097 OE1 GLU A 73 -0.684 -28.079 -28.330 1.00 0.23 O ATOM 1098 OE2 GLU A 73 -2.170 -26.830 -27.298 1.00 62.42 O ATOM 0 H GLU A 73 0.411 -25.705 -24.628 1.00 50.23 H new ATOM 0 HA GLU A 73 0.155 -28.193 -25.799 1.00 30.44 H new ATOM 0 HB2 GLU A 73 1.959 -25.831 -26.422 1.00 0.21 H new ATOM 0 HB3 GLU A 73 1.833 -27.225 -27.476 1.00 0.21 H new ATOM 0 HG2 GLU A 73 -0.346 -25.252 -26.747 1.00 13.01 H new ATOM 0 HG3 GLU A 73 0.362 -25.533 -28.325 1.00 13.01 H new ATOM 1105 N SER A 74 2.219 -29.589 -25.611 1.00 21.22 N ATOM 1106 CA SER A 74 3.329 -30.487 -25.313 1.00 41.24 C ATOM 1107 C SER A 74 4.409 -30.389 -26.386 1.00 44.23 C ATOM 1108 O SER A 74 5.603 -30.471 -26.093 1.00 33.41 O ATOM 1109 CB SER A 74 2.831 -31.929 -25.205 1.00 63.42 C ATOM 1110 OG SER A 74 3.850 -32.785 -24.718 1.00 63.33 O ATOM 0 H SER A 74 1.489 -30.000 -26.193 1.00 21.22 H new ATOM 0 HA SER A 74 3.761 -30.187 -24.358 1.00 41.24 H new ATOM 0 HB2 SER A 74 1.968 -31.970 -24.540 1.00 63.42 H new ATOM 0 HB3 SER A 74 2.497 -32.276 -26.183 1.00 63.42 H new ATOM 0 HG SER A 74 3.506 -33.701 -24.657 1.00 63.33 H new ATOM 1116 N THR A 75 3.982 -30.212 -27.633 1.00 4.11 N ATOM 1117 CA THR A 75 4.911 -30.104 -28.751 1.00 21.02 C ATOM 1118 C THR A 75 5.976 -29.048 -28.481 1.00 4.42 C ATOM 1119 O THR A 75 5.668 -27.943 -28.035 1.00 41.22 O ATOM 1120 CB THR A 75 4.177 -29.754 -30.059 1.00 42.01 C ATOM 1121 OG1 THR A 75 3.251 -28.686 -29.831 1.00 3.23 O ATOM 1122 CG2 THR A 75 3.437 -30.966 -30.605 1.00 51.41 C ATOM 0 H THR A 75 2.998 -30.140 -27.894 1.00 4.11 H new ATOM 0 HA THR A 75 5.389 -31.078 -28.860 1.00 21.02 H new ATOM 0 HB THR A 75 4.919 -29.440 -30.793 1.00 42.01 H new ATOM 0 HG1 THR A 75 2.790 -28.469 -30.668 1.00 3.23 H new ATOM 0 HG21 THR A 75 2.926 -30.695 -31.529 1.00 51.41 H new ATOM 0 HG22 THR A 75 4.149 -31.767 -30.806 1.00 51.41 H new ATOM 0 HG23 THR A 75 2.705 -31.306 -29.872 1.00 51.41 H new ATOM 1130 N GLU A 76 7.230 -29.395 -28.754 1.00 42.41 N ATOM 1131 CA GLU A 76 8.341 -28.474 -28.541 1.00 13.20 C ATOM 1132 C GLU A 76 8.151 -27.195 -29.352 1.00 71.43 C ATOM 1133 O GLU A 76 7.138 -27.022 -30.029 1.00 43.00 O ATOM 1134 CB GLU A 76 9.665 -29.140 -28.921 1.00 33.13 C ATOM 1135 CG GLU A 76 9.759 -29.513 -30.391 1.00 11.13 C ATOM 1136 CD GLU A 76 9.194 -30.890 -30.681 1.00 12.22 C ATOM 1137 OE1 GLU A 76 9.973 -31.866 -30.663 1.00 11.20 O ATOM 1138 OE2 GLU A 76 7.974 -30.992 -30.926 1.00 13.54 O ATOM 0 H GLU A 76 7.502 -30.306 -29.123 1.00 42.41 H new ATOM 0 HA GLU A 76 8.365 -28.213 -27.483 1.00 13.20 H new ATOM 0 HB2 GLU A 76 10.485 -28.466 -28.673 1.00 33.13 H new ATOM 0 HB3 GLU A 76 9.796 -30.038 -28.318 1.00 33.13 H new ATOM 0 HG2 GLU A 76 9.223 -28.772 -30.985 1.00 11.13 H new ATOM 0 HG3 GLU A 76 10.802 -29.479 -30.705 1.00 11.13 H new ATOM 1145 N ASN A 77 9.133 -26.303 -29.278 1.00 30.01 N ATOM 1146 CA ASN A 77 9.074 -25.039 -30.003 1.00 71.11 C ATOM 1147 C ASN A 77 7.805 -24.269 -29.652 1.00 35.14 C ATOM 1148 O ASN A 77 7.208 -23.613 -30.505 1.00 74.22 O ATOM 1149 CB ASN A 77 9.131 -25.290 -31.511 1.00 54.54 C ATOM 1150 CG ASN A 77 10.453 -25.890 -31.948 1.00 73.54 C ATOM 1151 OD1 ASN A 77 11.480 -25.700 -31.297 1.00 15.33 O ATOM 1152 ND2 ASN A 77 10.433 -26.621 -33.057 1.00 74.11 N ATOM 0 H ASN A 77 9.979 -26.432 -28.723 1.00 30.01 H new ATOM 0 HA ASN A 77 9.935 -24.439 -29.708 1.00 71.11 H new ATOM 0 HB2 ASN A 77 8.319 -25.960 -31.796 1.00 54.54 H new ATOM 0 HB3 ASN A 77 8.969 -24.350 -32.039 1.00 54.54 H new ATOM 0 HD21 ASN A 77 11.292 -27.051 -33.400 1.00 74.11 H new ATOM 0 HD22 ASN A 77 9.559 -26.752 -33.565 1.00 74.11 H new ATOM 1159 N SER A 78 7.398 -24.354 -28.389 1.00 3.42 N ATOM 1160 CA SER A 78 6.198 -23.667 -27.924 1.00 63.54 C ATOM 1161 C SER A 78 6.483 -22.192 -27.663 1.00 41.42 C ATOM 1162 O SER A 78 7.517 -21.837 -27.097 1.00 21.13 O ATOM 1163 CB SER A 78 5.667 -24.329 -26.651 1.00 63.23 C ATOM 1164 OG SER A 78 5.003 -25.546 -26.948 1.00 4.44 O ATOM 0 H SER A 78 7.881 -24.892 -27.670 1.00 3.42 H new ATOM 0 HA SER A 78 5.442 -23.740 -28.706 1.00 63.54 H new ATOM 0 HB2 SER A 78 6.492 -24.519 -25.965 1.00 63.23 H new ATOM 0 HB3 SER A 78 4.981 -23.651 -26.144 1.00 63.23 H new ATOM 0 HG SER A 78 5.637 -26.175 -27.352 1.00 4.44 H new ATOM 1170 N LYS A 79 5.558 -21.334 -28.081 1.00 32.25 N ATOM 1171 CA LYS A 79 5.706 -19.896 -27.893 1.00 4.12 C ATOM 1172 C LYS A 79 4.415 -19.280 -27.365 1.00 53.42 C ATOM 1173 O LYS A 79 3.333 -19.838 -27.541 1.00 75.44 O ATOM 1174 CB LYS A 79 6.102 -19.227 -29.211 1.00 51.12 C ATOM 1175 CG LYS A 79 7.444 -19.690 -29.750 1.00 23.43 C ATOM 1176 CD LYS A 79 7.497 -19.603 -31.266 1.00 22.02 C ATOM 1177 CE LYS A 79 8.830 -20.098 -31.806 1.00 50.04 C ATOM 1178 NZ LYS A 79 8.773 -20.354 -33.272 1.00 62.13 N ATOM 0 H LYS A 79 4.697 -21.611 -28.553 1.00 32.25 H new ATOM 0 HA LYS A 79 6.493 -19.730 -27.158 1.00 4.12 H new ATOM 0 HB2 LYS A 79 5.332 -19.428 -29.956 1.00 51.12 H new ATOM 0 HB3 LYS A 79 6.131 -18.147 -29.066 1.00 51.12 H new ATOM 0 HG2 LYS A 79 8.239 -19.080 -29.322 1.00 23.43 H new ATOM 0 HG3 LYS A 79 7.628 -20.718 -29.437 1.00 23.43 H new ATOM 0 HD2 LYS A 79 6.688 -20.194 -31.694 1.00 22.02 H new ATOM 0 HD3 LYS A 79 7.337 -18.571 -31.578 1.00 22.02 H new ATOM 0 HE2 LYS A 79 9.604 -19.360 -31.596 1.00 50.04 H new ATOM 0 HE3 LYS A 79 9.114 -21.014 -31.288 1.00 50.04 H new ATOM 0 HZ1 LYS A 79 9.700 -20.690 -33.602 1.00 62.13 H new ATOM 0 HZ2 LYS A 79 8.052 -21.077 -33.470 1.00 62.13 H new ATOM 0 HZ3 LYS A 79 8.527 -19.474 -33.769 1.00 62.13 H new ATOM 1192 N MET A 80 4.536 -18.125 -26.719 1.00 42.41 N ATOM 1193 CA MET A 80 3.377 -17.432 -26.168 1.00 61.10 C ATOM 1194 C MET A 80 3.635 -15.932 -26.073 1.00 54.44 C ATOM 1195 O MET A 80 4.654 -15.500 -25.536 1.00 65.45 O ATOM 1196 CB MET A 80 3.032 -17.990 -24.786 1.00 23.40 C ATOM 1197 CG MET A 80 1.686 -17.521 -24.260 1.00 12.14 C ATOM 1198 SD MET A 80 1.346 -18.117 -22.592 1.00 52.41 S ATOM 1199 CE MET A 80 -0.408 -18.462 -22.707 1.00 61.21 C ATOM 0 H MET A 80 5.425 -17.649 -26.564 1.00 42.41 H new ATOM 0 HA MET A 80 2.534 -17.596 -26.839 1.00 61.10 H new ATOM 0 HB2 MET A 80 3.035 -19.079 -24.832 1.00 23.40 H new ATOM 0 HB3 MET A 80 3.810 -17.698 -24.081 1.00 23.40 H new ATOM 0 HG2 MET A 80 1.658 -16.431 -24.265 1.00 12.14 H new ATOM 0 HG3 MET A 80 0.899 -17.863 -24.932 1.00 12.14 H new ATOM 0 HE1 MET A 80 -0.869 -18.336 -21.727 1.00 61.21 H new ATOM 0 HE2 MET A 80 -0.868 -17.774 -23.416 1.00 61.21 H new ATOM 0 HE3 MET A 80 -0.556 -19.487 -23.048 1.00 61.21 H new ATOM 1209 N MET A 81 2.704 -15.142 -26.599 1.00 12.22 N ATOM 1210 CA MET A 81 2.831 -13.689 -26.572 1.00 70.24 C ATOM 1211 C MET A 81 2.228 -13.114 -25.295 1.00 2.13 C ATOM 1212 O MET A 81 1.106 -13.455 -24.917 1.00 44.11 O ATOM 1213 CB MET A 81 2.147 -13.074 -27.795 1.00 3.32 C ATOM 1214 CG MET A 81 2.656 -11.683 -28.140 1.00 31.43 C ATOM 1215 SD MET A 81 2.092 -11.119 -29.757 1.00 12.25 S ATOM 1216 CE MET A 81 0.351 -11.534 -29.672 1.00 5.21 C ATOM 0 H MET A 81 1.854 -15.483 -27.049 1.00 12.22 H new ATOM 0 HA MET A 81 3.892 -13.441 -26.595 1.00 70.24 H new ATOM 0 HB2 MET A 81 2.296 -13.730 -28.653 1.00 3.32 H new ATOM 0 HB3 MET A 81 1.073 -13.025 -27.614 1.00 3.32 H new ATOM 0 HG2 MET A 81 2.323 -10.979 -27.377 1.00 31.43 H new ATOM 0 HG3 MET A 81 3.746 -11.684 -28.119 1.00 31.43 H new ATOM 0 HE1 MET A 81 -0.183 -11.032 -30.479 1.00 5.21 H new ATOM 0 HE2 MET A 81 0.229 -12.612 -29.772 1.00 5.21 H new ATOM 0 HE3 MET A 81 -0.054 -11.210 -28.713 1.00 5.21 H new ATOM 1226 N LEU A 82 2.979 -12.241 -24.633 1.00 1.52 N ATOM 1227 CA LEU A 82 2.518 -11.617 -23.397 1.00 24.42 C ATOM 1228 C LEU A 82 2.505 -10.098 -23.525 1.00 54.45 C ATOM 1229 O LEU A 82 3.049 -9.541 -24.479 1.00 31.45 O ATOM 1230 CB LEU A 82 3.414 -12.034 -22.228 1.00 55.33 C ATOM 1231 CG LEU A 82 3.849 -13.499 -22.205 1.00 63.25 C ATOM 1232 CD1 LEU A 82 4.705 -13.783 -20.980 1.00 53.35 C ATOM 1233 CD2 LEU A 82 2.636 -14.417 -22.235 1.00 13.12 C ATOM 0 H LEU A 82 3.910 -11.949 -24.931 1.00 1.52 H new ATOM 0 HA LEU A 82 1.500 -11.955 -23.206 1.00 24.42 H new ATOM 0 HB2 LEU A 82 4.308 -11.411 -22.241 1.00 55.33 H new ATOM 0 HB3 LEU A 82 2.888 -11.817 -21.298 1.00 55.33 H new ATOM 0 HG LEU A 82 4.448 -13.693 -23.094 1.00 63.25 H new ATOM 0 HD11 LEU A 82 5.005 -14.831 -20.981 1.00 53.35 H new ATOM 0 HD12 LEU A 82 5.593 -13.151 -21.002 1.00 53.35 H new ATOM 0 HD13 LEU A 82 4.131 -13.571 -20.078 1.00 53.35 H new ATOM 0 HD21 LEU A 82 2.965 -15.456 -22.218 1.00 13.12 H new ATOM 0 HD22 LEU A 82 2.010 -14.221 -21.365 1.00 13.12 H new ATOM 0 HD23 LEU A 82 2.063 -14.233 -23.144 1.00 13.12 H new ATOM 1245 N GLU A 83 1.880 -9.433 -22.558 1.00 44.53 N ATOM 1246 CA GLU A 83 1.797 -7.977 -22.564 1.00 54.24 C ATOM 1247 C GLU A 83 2.548 -7.384 -21.376 1.00 13.42 C ATOM 1248 O GLU A 83 2.463 -7.892 -20.257 1.00 11.31 O ATOM 1249 CB GLU A 83 0.334 -7.528 -22.533 1.00 42.21 C ATOM 1250 CG GLU A 83 -0.360 -7.621 -23.882 1.00 0.15 C ATOM 1251 CD GLU A 83 -0.070 -6.427 -24.771 1.00 23.42 C ATOM 1252 OE1 GLU A 83 0.789 -5.603 -24.394 1.00 1.42 O ATOM 1253 OE2 GLU A 83 -0.701 -6.318 -25.843 1.00 3.14 O ATOM 0 H GLU A 83 1.424 -9.879 -21.762 1.00 44.53 H new ATOM 0 HA GLU A 83 2.261 -7.616 -23.482 1.00 54.24 H new ATOM 0 HB2 GLU A 83 -0.209 -8.138 -21.812 1.00 42.21 H new ATOM 0 HB3 GLU A 83 0.286 -6.498 -22.179 1.00 42.21 H new ATOM 0 HG2 GLU A 83 -0.041 -8.532 -24.388 1.00 0.15 H new ATOM 0 HG3 GLU A 83 -1.436 -7.702 -23.728 1.00 0.15 H new ATOM 1260 N LEU A 84 3.283 -6.306 -21.626 1.00 51.04 N ATOM 1261 CA LEU A 84 4.050 -5.643 -20.578 1.00 3.40 C ATOM 1262 C LEU A 84 3.878 -4.129 -20.652 1.00 11.21 C ATOM 1263 O LEU A 84 3.700 -3.566 -21.732 1.00 72.45 O ATOM 1264 CB LEU A 84 5.532 -6.005 -20.696 1.00 53.01 C ATOM 1265 CG LEU A 84 5.844 -7.480 -20.953 1.00 54.31 C ATOM 1266 CD1 LEU A 84 7.322 -7.667 -21.258 1.00 74.52 C ATOM 1267 CD2 LEU A 84 5.432 -8.328 -19.759 1.00 14.02 C ATOM 0 H LEU A 84 3.364 -5.873 -22.546 1.00 51.04 H new ATOM 0 HA LEU A 84 3.674 -5.987 -19.614 1.00 3.40 H new ATOM 0 HB2 LEU A 84 5.966 -5.416 -21.504 1.00 53.01 H new ATOM 0 HB3 LEU A 84 6.034 -5.703 -19.777 1.00 53.01 H new ATOM 0 HG LEU A 84 5.271 -7.808 -21.820 1.00 54.31 H new ATOM 0 HD11 LEU A 84 7.526 -8.723 -21.438 1.00 74.52 H new ATOM 0 HD12 LEU A 84 7.586 -7.090 -22.144 1.00 74.52 H new ATOM 0 HD13 LEU A 84 7.915 -7.323 -20.411 1.00 74.52 H new ATOM 0 HD21 LEU A 84 5.661 -9.375 -19.960 1.00 14.02 H new ATOM 0 HD22 LEU A 84 5.978 -8.000 -18.874 1.00 14.02 H new ATOM 0 HD23 LEU A 84 4.361 -8.218 -19.587 1.00 14.02 H new ATOM 1279 N ASP A 85 3.934 -3.475 -19.497 1.00 22.22 N ATOM 1280 CA ASP A 85 3.787 -2.026 -19.431 1.00 4.25 C ATOM 1281 C ASP A 85 4.756 -1.427 -18.415 1.00 32.51 C ATOM 1282 O ASP A 85 4.366 -0.991 -17.332 1.00 3.13 O ATOM 1283 CB ASP A 85 2.350 -1.654 -19.064 1.00 11.32 C ATOM 1284 CG ASP A 85 2.070 -0.175 -19.247 1.00 70.02 C ATOM 1285 OD1 ASP A 85 2.347 0.350 -20.346 1.00 63.11 O ATOM 1286 OD2 ASP A 85 1.573 0.457 -18.292 1.00 53.11 O ATOM 0 H ASP A 85 4.080 -3.926 -18.594 1.00 22.22 H new ATOM 0 HA ASP A 85 4.020 -1.617 -20.414 1.00 4.25 H new ATOM 0 HB2 ASP A 85 1.660 -2.230 -19.680 1.00 11.32 H new ATOM 0 HB3 ASP A 85 2.159 -1.931 -18.027 1.00 11.32 H new ATOM 1291 N PRO A 86 6.049 -1.407 -18.771 1.00 12.13 N ATOM 1292 CA PRO A 86 7.100 -0.866 -17.904 1.00 11.03 C ATOM 1293 C PRO A 86 7.013 0.650 -17.764 1.00 30.00 C ATOM 1294 O PRO A 86 6.291 1.325 -18.499 1.00 24.14 O ATOM 1295 CB PRO A 86 8.392 -1.264 -18.622 1.00 52.41 C ATOM 1296 CG PRO A 86 8.001 -1.406 -20.053 1.00 23.03 C ATOM 1297 CD PRO A 86 6.584 -1.910 -20.047 1.00 44.50 C ATOM 0 HA PRO A 86 7.026 -1.250 -16.886 1.00 11.03 H new ATOM 0 HB2 PRO A 86 9.165 -0.506 -18.496 1.00 52.41 H new ATOM 0 HB3 PRO A 86 8.793 -2.197 -18.227 1.00 52.41 H new ATOM 0 HG2 PRO A 86 8.073 -0.451 -20.574 1.00 23.03 H new ATOM 0 HG3 PRO A 86 8.661 -2.102 -20.571 1.00 23.03 H new ATOM 0 HD2 PRO A 86 6.019 -1.530 -20.898 1.00 44.50 H new ATOM 0 HD3 PRO A 86 6.544 -2.998 -20.099 1.00 44.50 H new ATOM 1305 N PRO A 87 7.765 1.200 -16.799 1.00 42.23 N ATOM 1306 CA PRO A 87 7.792 2.643 -16.543 1.00 11.24 C ATOM 1307 C PRO A 87 8.483 3.418 -17.659 1.00 41.03 C ATOM 1308 O PRO A 87 8.796 2.862 -18.713 1.00 11.45 O ATOM 1309 CB PRO A 87 8.588 2.757 -15.240 1.00 43.14 C ATOM 1310 CG PRO A 87 9.446 1.539 -15.213 1.00 34.02 C ATOM 1311 CD PRO A 87 8.648 0.456 -15.885 1.00 50.14 C ATOM 0 HA PRO A 87 6.789 3.065 -16.484 1.00 11.24 H new ATOM 0 HB2 PRO A 87 9.190 3.666 -15.222 1.00 43.14 H new ATOM 0 HB3 PRO A 87 7.927 2.795 -14.374 1.00 43.14 H new ATOM 0 HG2 PRO A 87 10.387 1.712 -15.736 1.00 34.02 H new ATOM 0 HG3 PRO A 87 9.697 1.261 -14.189 1.00 34.02 H new ATOM 0 HD2 PRO A 87 9.290 -0.240 -16.425 1.00 50.14 H new ATOM 0 HD3 PRO A 87 8.078 -0.130 -15.164 1.00 50.14 H new ATOM 1319 N PHE A 88 8.719 4.704 -17.422 1.00 44.13 N ATOM 1320 CA PHE A 88 9.372 5.556 -18.410 1.00 1.03 C ATOM 1321 C PHE A 88 10.854 5.211 -18.531 1.00 14.51 C ATOM 1322 O PHE A 88 11.520 4.930 -17.536 1.00 3.20 O ATOM 1323 CB PHE A 88 9.209 7.029 -18.031 1.00 11.43 C ATOM 1324 CG PHE A 88 7.790 7.515 -18.110 1.00 12.11 C ATOM 1325 CD1 PHE A 88 7.273 7.995 -19.303 1.00 23.33 C ATOM 1326 CD2 PHE A 88 6.973 7.493 -16.991 1.00 75.52 C ATOM 1327 CE1 PHE A 88 5.968 8.442 -19.379 1.00 53.11 C ATOM 1328 CE2 PHE A 88 5.666 7.938 -17.062 1.00 2.13 C ATOM 1329 CZ PHE A 88 5.163 8.415 -18.257 1.00 25.33 C ATOM 0 H PHE A 88 8.468 5.179 -16.555 1.00 44.13 H new ATOM 0 HA PHE A 88 8.896 5.381 -19.375 1.00 1.03 H new ATOM 0 HB2 PHE A 88 9.580 7.178 -17.017 1.00 11.43 H new ATOM 0 HB3 PHE A 88 9.830 7.636 -18.690 1.00 11.43 H new ATOM 0 HD1 PHE A 88 7.898 8.020 -20.184 1.00 23.33 H new ATOM 0 HD2 PHE A 88 7.361 7.124 -16.053 1.00 75.52 H new ATOM 0 HE1 PHE A 88 5.577 8.812 -20.315 1.00 53.11 H new ATOM 0 HE2 PHE A 88 5.038 7.913 -16.183 1.00 2.13 H new ATOM 0 HZ PHE A 88 4.143 8.766 -18.314 1.00 25.33 H new ATOM 1339 N GLY A 89 11.362 5.235 -19.759 1.00 42.33 N ATOM 1340 CA GLY A 89 12.760 4.921 -19.990 1.00 2.24 C ATOM 1341 C GLY A 89 13.112 3.506 -19.576 1.00 3.11 C ATOM 1342 O GLY A 89 13.492 3.263 -18.430 1.00 45.53 O ATOM 0 H GLY A 89 10.830 5.466 -20.598 1.00 42.33 H new ATOM 0 HA2 GLY A 89 12.989 5.055 -21.047 1.00 2.24 H new ATOM 0 HA3 GLY A 89 13.383 5.624 -19.437 1.00 2.24 H new ATOM 1346 N ASP A 90 12.984 2.570 -20.509 1.00 63.42 N ATOM 1347 CA ASP A 90 13.291 1.170 -20.235 1.00 51.45 C ATOM 1348 C ASP A 90 14.797 0.955 -20.130 1.00 24.22 C ATOM 1349 O ASP A 90 15.584 1.872 -20.366 1.00 32.12 O ATOM 1350 CB ASP A 90 12.711 0.275 -21.331 1.00 54.14 C ATOM 1351 CG ASP A 90 11.196 0.318 -21.372 1.00 73.03 C ATOM 1352 OD1 ASP A 90 10.642 0.791 -22.387 1.00 64.13 O ATOM 1353 OD2 ASP A 90 10.563 -0.122 -20.390 1.00 25.32 O ATOM 0 H ASP A 90 12.670 2.754 -21.462 1.00 63.42 H new ATOM 0 HA ASP A 90 12.837 0.904 -19.281 1.00 51.45 H new ATOM 0 HB2 ASP A 90 13.107 0.586 -22.298 1.00 54.14 H new ATOM 0 HB3 ASP A 90 13.038 -0.752 -21.169 1.00 54.14 H new ATOM 1358 N SER A 91 15.192 -0.263 -19.773 1.00 22.24 N ATOM 1359 CA SER A 91 16.604 -0.598 -19.631 1.00 23.12 C ATOM 1360 C SER A 91 16.933 -1.890 -20.372 1.00 22.41 C ATOM 1361 O SER A 91 17.542 -1.868 -21.442 1.00 2.02 O ATOM 1362 CB SER A 91 16.971 -0.737 -18.152 1.00 61.31 C ATOM 1363 OG SER A 91 17.041 0.530 -17.522 1.00 54.33 O ATOM 0 H SER A 91 14.554 -1.034 -19.577 1.00 22.24 H new ATOM 0 HA SER A 91 17.190 0.211 -20.069 1.00 23.12 H new ATOM 0 HB2 SER A 91 16.230 -1.357 -17.647 1.00 61.31 H new ATOM 0 HB3 SER A 91 17.930 -1.246 -18.059 1.00 61.31 H new ATOM 0 HG SER A 91 17.569 0.458 -16.699 1.00 54.33 H new ATOM 1369 N TYR A 92 16.526 -3.016 -19.795 1.00 51.52 N ATOM 1370 CA TYR A 92 16.778 -4.319 -20.399 1.00 3.43 C ATOM 1371 C TYR A 92 15.744 -5.341 -19.939 1.00 75.35 C ATOM 1372 O TYR A 92 15.355 -5.366 -18.771 1.00 65.31 O ATOM 1373 CB TYR A 92 18.185 -4.805 -20.044 1.00 15.33 C ATOM 1374 CG TYR A 92 19.280 -4.100 -20.811 1.00 24.10 C ATOM 1375 CD1 TYR A 92 19.943 -3.006 -20.268 1.00 15.13 C ATOM 1376 CD2 TYR A 92 19.653 -4.528 -22.079 1.00 41.43 C ATOM 1377 CE1 TYR A 92 20.944 -2.358 -20.965 1.00 70.42 C ATOM 1378 CE2 TYR A 92 20.654 -3.887 -22.783 1.00 63.24 C ATOM 1379 CZ TYR A 92 21.297 -2.803 -22.222 1.00 74.23 C ATOM 1380 OH TYR A 92 22.293 -2.162 -22.921 1.00 45.31 O ATOM 0 H TYR A 92 16.020 -3.052 -18.910 1.00 51.52 H new ATOM 0 HA TYR A 92 16.700 -4.211 -21.481 1.00 3.43 H new ATOM 0 HB2 TYR A 92 18.351 -4.662 -18.976 1.00 15.33 H new ATOM 0 HB3 TYR A 92 18.250 -5.876 -20.236 1.00 15.33 H new ATOM 0 HD1 TYR A 92 19.671 -2.656 -19.283 1.00 15.13 H new ATOM 0 HD2 TYR A 92 19.152 -5.376 -22.522 1.00 41.43 H new ATOM 0 HE1 TYR A 92 21.447 -1.508 -20.528 1.00 70.42 H new ATOM 0 HE2 TYR A 92 20.932 -4.233 -23.768 1.00 63.24 H new ATOM 0 HH TYR A 92 22.419 -2.601 -23.788 1.00 45.31 H new ATOM 1390 N ILE A 93 15.302 -6.184 -20.867 1.00 53.53 N ATOM 1391 CA ILE A 93 14.313 -7.209 -20.559 1.00 31.13 C ATOM 1392 C ILE A 93 14.982 -8.548 -20.267 1.00 41.12 C ATOM 1393 O ILE A 93 15.906 -8.958 -20.969 1.00 65.22 O ATOM 1394 CB ILE A 93 13.310 -7.390 -21.714 1.00 1.14 C ATOM 1395 CG1 ILE A 93 12.602 -6.067 -22.015 1.00 63.31 C ATOM 1396 CG2 ILE A 93 12.298 -8.473 -21.371 1.00 52.34 C ATOM 1397 CD1 ILE A 93 11.858 -6.067 -23.332 1.00 12.01 C ATOM 0 H ILE A 93 15.614 -6.177 -21.838 1.00 53.53 H new ATOM 0 HA ILE A 93 13.776 -6.872 -19.672 1.00 31.13 H new ATOM 0 HB ILE A 93 13.856 -7.699 -22.605 1.00 1.14 H new ATOM 0 HG12 ILE A 93 11.900 -5.848 -21.210 1.00 63.31 H new ATOM 0 HG13 ILE A 93 13.338 -5.263 -22.023 1.00 63.31 H new ATOM 0 HG21 ILE A 93 11.596 -8.590 -22.197 1.00 52.34 H new ATOM 0 HG22 ILE A 93 12.818 -9.416 -21.201 1.00 52.34 H new ATOM 0 HG23 ILE A 93 11.754 -8.191 -20.469 1.00 52.34 H new ATOM 0 HD11 ILE A 93 11.380 -5.098 -23.480 1.00 12.01 H new ATOM 0 HD12 ILE A 93 12.559 -6.254 -24.146 1.00 12.01 H new ATOM 0 HD13 ILE A 93 11.098 -6.848 -23.321 1.00 12.01 H new ATOM 1409 N VAL A 94 14.508 -9.226 -19.227 1.00 73.52 N ATOM 1410 CA VAL A 94 15.059 -10.521 -18.843 1.00 53.50 C ATOM 1411 C VAL A 94 13.950 -11.530 -18.568 1.00 71.10 C ATOM 1412 O VAL A 94 12.885 -11.175 -18.061 1.00 24.22 O ATOM 1413 CB VAL A 94 15.951 -10.402 -17.593 1.00 43.25 C ATOM 1414 CG1 VAL A 94 16.524 -11.759 -17.215 1.00 60.22 C ATOM 1415 CG2 VAL A 94 17.064 -9.391 -17.828 1.00 71.20 C ATOM 0 H VAL A 94 13.744 -8.901 -18.635 1.00 73.52 H new ATOM 0 HA VAL A 94 15.664 -10.869 -19.680 1.00 53.50 H new ATOM 0 HB VAL A 94 15.339 -10.049 -16.763 1.00 43.25 H new ATOM 0 HG11 VAL A 94 17.151 -11.655 -16.330 1.00 60.22 H new ATOM 0 HG12 VAL A 94 15.709 -12.452 -17.003 1.00 60.22 H new ATOM 0 HG13 VAL A 94 17.122 -12.144 -18.041 1.00 60.22 H new ATOM 0 HG21 VAL A 94 17.685 -9.319 -16.935 1.00 71.20 H new ATOM 0 HG22 VAL A 94 17.676 -9.713 -18.671 1.00 71.20 H new ATOM 0 HG23 VAL A 94 16.629 -8.416 -18.047 1.00 71.20 H new ATOM 1425 N ILE A 95 14.207 -12.789 -18.905 1.00 71.34 N ATOM 1426 CA ILE A 95 13.231 -13.851 -18.694 1.00 13.23 C ATOM 1427 C ILE A 95 13.783 -14.929 -17.768 1.00 22.13 C ATOM 1428 O ILE A 95 14.669 -15.694 -18.147 1.00 41.31 O ATOM 1429 CB ILE A 95 12.808 -14.500 -20.025 1.00 32.34 C ATOM 1430 CG1 ILE A 95 12.215 -13.449 -20.965 1.00 11.33 C ATOM 1431 CG2 ILE A 95 11.807 -15.619 -19.774 1.00 4.32 C ATOM 1432 CD1 ILE A 95 10.953 -12.806 -20.433 1.00 40.13 C ATOM 0 H ILE A 95 15.083 -13.099 -19.325 1.00 71.34 H new ATOM 0 HA ILE A 95 12.359 -13.390 -18.231 1.00 13.23 H new ATOM 0 HB ILE A 95 13.691 -14.928 -20.500 1.00 32.34 H new ATOM 0 HG12 ILE A 95 12.960 -12.674 -21.146 1.00 11.33 H new ATOM 0 HG13 ILE A 95 11.999 -13.914 -21.927 1.00 11.33 H new ATOM 0 HG21 ILE A 95 11.517 -16.068 -20.724 1.00 4.32 H new ATOM 0 HG22 ILE A 95 12.262 -16.378 -19.138 1.00 4.32 H new ATOM 0 HG23 ILE A 95 10.924 -15.213 -19.280 1.00 4.32 H new ATOM 0 HD11 ILE A 95 10.588 -12.072 -21.151 1.00 40.13 H new ATOM 0 HD12 ILE A 95 10.192 -13.571 -20.278 1.00 40.13 H new ATOM 0 HD13 ILE A 95 11.168 -12.312 -19.486 1.00 40.13 H new ATOM 1444 N GLY A 96 13.252 -14.985 -16.550 1.00 72.21 N ATOM 1445 CA GLY A 96 13.703 -15.975 -15.589 1.00 15.41 C ATOM 1446 C GLY A 96 15.190 -15.878 -15.312 1.00 73.51 C ATOM 1447 O GLY A 96 15.833 -14.892 -15.670 1.00 12.52 O ATOM 0 H GLY A 96 12.518 -14.363 -16.212 1.00 72.21 H new ATOM 0 HA2 GLY A 96 13.154 -15.848 -14.656 1.00 15.41 H new ATOM 0 HA3 GLY A 96 13.470 -16.972 -15.963 1.00 15.41 H new ATOM 1451 N VAL A 97 15.738 -16.906 -14.671 1.00 45.23 N ATOM 1452 CA VAL A 97 17.159 -16.933 -14.346 1.00 4.13 C ATOM 1453 C VAL A 97 17.747 -18.322 -14.566 1.00 22.22 C ATOM 1454 O VAL A 97 17.060 -19.330 -14.411 1.00 35.41 O ATOM 1455 CB VAL A 97 17.409 -16.507 -12.887 1.00 21.14 C ATOM 1456 CG1 VAL A 97 16.988 -15.061 -12.673 1.00 22.23 C ATOM 1457 CG2 VAL A 97 16.674 -17.432 -11.929 1.00 31.42 C ATOM 0 H VAL A 97 15.220 -17.730 -14.367 1.00 45.23 H new ATOM 0 HA VAL A 97 17.650 -16.224 -15.013 1.00 4.13 H new ATOM 0 HB VAL A 97 18.477 -16.583 -12.682 1.00 21.14 H new ATOM 0 HG11 VAL A 97 17.172 -14.778 -11.637 1.00 22.23 H new ATOM 0 HG12 VAL A 97 17.564 -14.413 -13.334 1.00 22.23 H new ATOM 0 HG13 VAL A 97 15.926 -14.955 -12.895 1.00 22.23 H new ATOM 0 HG21 VAL A 97 16.862 -17.117 -10.903 1.00 31.42 H new ATOM 0 HG22 VAL A 97 15.604 -17.390 -12.132 1.00 31.42 H new ATOM 0 HG23 VAL A 97 17.029 -18.454 -12.065 1.00 31.42 H new ATOM 1467 N GLY A 98 19.026 -18.367 -14.928 1.00 72.42 N ATOM 1468 CA GLY A 98 19.685 -19.638 -15.165 1.00 23.32 C ATOM 1469 C GLY A 98 20.990 -19.483 -15.920 1.00 42.42 C ATOM 1470 O GLY A 98 21.578 -18.402 -15.939 1.00 2.13 O ATOM 0 H GLY A 98 19.617 -17.546 -15.061 1.00 72.42 H new ATOM 0 HA2 GLY A 98 19.877 -20.128 -14.210 1.00 23.32 H new ATOM 0 HA3 GLY A 98 19.018 -20.290 -15.729 1.00 23.32 H new ATOM 1474 N GLU A 99 21.445 -20.566 -16.543 1.00 54.52 N ATOM 1475 CA GLU A 99 22.690 -20.544 -17.301 1.00 3.13 C ATOM 1476 C GLU A 99 22.461 -20.005 -18.710 1.00 30.31 C ATOM 1477 O GLU A 99 23.326 -19.342 -19.282 1.00 62.33 O ATOM 1478 CB GLU A 99 23.294 -21.948 -17.372 1.00 4.04 C ATOM 1479 CG GLU A 99 22.490 -22.915 -18.224 1.00 54.51 C ATOM 1480 CD GLU A 99 22.897 -22.883 -19.684 1.00 63.23 C ATOM 1481 OE1 GLU A 99 23.803 -22.095 -20.030 1.00 33.41 O ATOM 1482 OE2 GLU A 99 22.311 -23.646 -20.481 1.00 5.41 O ATOM 0 H GLU A 99 20.970 -21.469 -16.537 1.00 54.52 H new ATOM 0 HA GLU A 99 23.386 -19.882 -16.787 1.00 3.13 H new ATOM 0 HB2 GLU A 99 24.306 -21.879 -17.772 1.00 4.04 H new ATOM 0 HB3 GLU A 99 23.377 -22.350 -16.362 1.00 4.04 H new ATOM 0 HG2 GLU A 99 22.617 -23.926 -17.837 1.00 54.51 H new ATOM 0 HG3 GLU A 99 21.431 -22.673 -18.141 1.00 54.51 H new ATOM 1489 N LYS A 100 21.289 -20.296 -19.264 1.00 51.33 N ATOM 1490 CA LYS A 100 20.943 -19.842 -20.606 1.00 63.02 C ATOM 1491 C LYS A 100 20.161 -18.534 -20.554 1.00 12.34 C ATOM 1492 O LYS A 100 19.273 -18.296 -21.373 1.00 2.40 O ATOM 1493 CB LYS A 100 20.123 -20.910 -21.333 1.00 31.44 C ATOM 1494 CG LYS A 100 20.130 -20.759 -22.844 1.00 33.31 C ATOM 1495 CD LYS A 100 21.370 -21.383 -23.461 1.00 61.22 C ATOM 1496 CE LYS A 100 21.240 -22.895 -23.567 1.00 52.10 C ATOM 1497 NZ LYS A 100 22.414 -23.506 -24.249 1.00 73.35 N ATOM 0 H LYS A 100 20.562 -20.844 -18.804 1.00 51.33 H new ATOM 0 HA LYS A 100 21.870 -19.669 -21.153 1.00 63.02 H new ATOM 0 HB2 LYS A 100 20.512 -21.894 -21.073 1.00 31.44 H new ATOM 0 HB3 LYS A 100 19.093 -20.870 -20.977 1.00 31.44 H new ATOM 0 HG2 LYS A 100 19.239 -21.228 -23.262 1.00 33.31 H new ATOM 0 HG3 LYS A 100 20.085 -19.702 -23.105 1.00 33.31 H new ATOM 0 HD2 LYS A 100 21.536 -20.961 -24.452 1.00 61.22 H new ATOM 0 HD3 LYS A 100 22.243 -21.133 -22.858 1.00 61.22 H new ATOM 0 HE2 LYS A 100 21.137 -23.321 -22.569 1.00 52.10 H new ATOM 0 HE3 LYS A 100 20.331 -23.144 -24.115 1.00 52.10 H new ATOM 0 HZ1 LYS A 100 22.287 -24.537 -24.301 1.00 73.35 H new ATOM 0 HZ2 LYS A 100 22.498 -23.118 -25.210 1.00 73.35 H new ATOM 0 HZ3 LYS A 100 23.278 -23.290 -23.712 1.00 73.35 H new ATOM 1511 N LYS A 101 20.496 -17.688 -19.586 1.00 2.43 N ATOM 1512 CA LYS A 101 19.827 -16.402 -19.427 1.00 10.13 C ATOM 1513 C LYS A 101 19.797 -15.637 -20.746 1.00 62.21 C ATOM 1514 O LYS A 101 20.669 -15.816 -21.597 1.00 51.23 O ATOM 1515 CB LYS A 101 20.532 -15.566 -18.356 1.00 53.21 C ATOM 1516 CG LYS A 101 19.868 -15.639 -16.992 1.00 75.11 C ATOM 1517 CD LYS A 101 18.615 -14.780 -16.935 1.00 24.13 C ATOM 1518 CE LYS A 101 18.639 -13.840 -15.739 1.00 73.12 C ATOM 1519 NZ LYS A 101 19.571 -12.698 -15.950 1.00 15.22 N ATOM 0 H LYS A 101 21.228 -17.870 -18.899 1.00 2.43 H new ATOM 0 HA LYS A 101 18.800 -16.591 -19.114 1.00 10.13 H new ATOM 0 HB2 LYS A 101 21.565 -15.902 -18.266 1.00 53.21 H new ATOM 0 HB3 LYS A 101 20.562 -14.526 -18.681 1.00 53.21 H new ATOM 0 HG2 LYS A 101 19.611 -16.674 -16.766 1.00 75.11 H new ATOM 0 HG3 LYS A 101 20.571 -15.310 -16.226 1.00 75.11 H new ATOM 0 HD2 LYS A 101 18.528 -14.200 -17.854 1.00 24.13 H new ATOM 0 HD3 LYS A 101 17.735 -15.421 -16.878 1.00 24.13 H new ATOM 0 HE2 LYS A 101 17.634 -13.460 -15.556 1.00 73.12 H new ATOM 0 HE3 LYS A 101 18.938 -14.393 -14.848 1.00 73.12 H new ATOM 0 HZ1 LYS A 101 19.559 -12.081 -15.113 1.00 15.22 H new ATOM 0 HZ2 LYS A 101 20.535 -13.059 -16.100 1.00 15.22 H new ATOM 0 HZ3 LYS A 101 19.271 -12.155 -16.785 1.00 15.22 H new ATOM 1533 N ILE A 102 18.791 -14.785 -20.908 1.00 52.02 N ATOM 1534 CA ILE A 102 18.651 -13.991 -22.122 1.00 50.33 C ATOM 1535 C ILE A 102 18.442 -12.516 -21.794 1.00 23.32 C ATOM 1536 O ILE A 102 17.830 -12.174 -20.782 1.00 31.35 O ATOM 1537 CB ILE A 102 17.475 -14.484 -22.986 1.00 32.15 C ATOM 1538 CG1 ILE A 102 16.146 -14.225 -22.272 1.00 43.54 C ATOM 1539 CG2 ILE A 102 17.633 -15.964 -23.300 1.00 60.21 C ATOM 1540 CD1 ILE A 102 14.938 -14.675 -23.063 1.00 31.10 C ATOM 0 H ILE A 102 18.061 -14.627 -20.214 1.00 52.02 H new ATOM 0 HA ILE A 102 19.578 -14.109 -22.683 1.00 50.33 H new ATOM 0 HB ILE A 102 17.476 -13.931 -23.925 1.00 32.15 H new ATOM 0 HG12 ILE A 102 16.153 -14.739 -21.311 1.00 43.54 H new ATOM 0 HG13 ILE A 102 16.057 -13.159 -22.063 1.00 43.54 H new ATOM 0 HG21 ILE A 102 16.794 -16.298 -23.911 1.00 60.21 H new ATOM 0 HG22 ILE A 102 18.564 -16.123 -23.844 1.00 60.21 H new ATOM 0 HG23 ILE A 102 17.654 -16.533 -22.371 1.00 60.21 H new ATOM 0 HD11 ILE A 102 14.032 -14.461 -22.497 1.00 31.10 H new ATOM 0 HD12 ILE A 102 14.906 -14.142 -24.013 1.00 31.10 H new ATOM 0 HD13 ILE A 102 15.004 -15.747 -23.250 1.00 31.10 H new ATOM 1552 N THR A 103 18.954 -11.645 -22.657 1.00 44.24 N ATOM 1553 CA THR A 103 18.824 -10.207 -22.460 1.00 54.25 C ATOM 1554 C THR A 103 18.637 -9.485 -23.790 1.00 15.52 C ATOM 1555 O THR A 103 19.220 -9.869 -24.804 1.00 53.21 O ATOM 1556 CB THR A 103 20.055 -9.624 -21.741 1.00 52.13 C ATOM 1557 OG1 THR A 103 21.204 -9.707 -22.592 1.00 31.34 O ATOM 1558 CG2 THR A 103 20.324 -10.367 -20.442 1.00 3.15 C ATOM 0 H THR A 103 19.463 -11.911 -23.500 1.00 44.24 H new ATOM 0 HA THR A 103 17.943 -10.052 -21.838 1.00 54.25 H new ATOM 0 HB THR A 103 19.852 -8.579 -21.508 1.00 52.13 H new ATOM 0 HG1 THR A 103 21.982 -9.333 -22.128 1.00 31.34 H new ATOM 0 HG21 THR A 103 21.198 -9.938 -19.952 1.00 3.15 H new ATOM 0 HG22 THR A 103 19.459 -10.277 -19.785 1.00 3.15 H new ATOM 0 HG23 THR A 103 20.509 -11.420 -20.656 1.00 3.15 H new ATOM 1566 N HIS A 104 17.820 -8.435 -23.778 1.00 62.54 N ATOM 1567 CA HIS A 104 17.556 -7.659 -24.985 1.00 20.24 C ATOM 1568 C HIS A 104 17.562 -6.164 -24.681 1.00 25.03 C ATOM 1569 O HIS A 104 17.011 -5.723 -23.672 1.00 53.31 O ATOM 1570 CB HIS A 104 16.212 -8.062 -25.592 1.00 31.22 C ATOM 1571 CG HIS A 104 15.817 -7.234 -26.775 1.00 51.24 C ATOM 1572 ND1 HIS A 104 16.443 -7.325 -28.001 1.00 33.43 N ATOM 1573 CD2 HIS A 104 14.852 -6.295 -26.917 1.00 33.52 C ATOM 1574 CE1 HIS A 104 15.881 -6.478 -28.844 1.00 52.10 C ATOM 1575 NE2 HIS A 104 14.912 -5.841 -28.211 1.00 41.12 N ATOM 0 H HIS A 104 17.330 -8.103 -22.947 1.00 62.54 H new ATOM 0 HA HIS A 104 18.348 -7.870 -25.703 1.00 20.24 H new ATOM 0 HB2 HIS A 104 16.257 -9.109 -25.891 1.00 31.22 H new ATOM 0 HB3 HIS A 104 15.439 -7.981 -24.828 1.00 31.22 H new ATOM 0 HD2 HIS A 104 14.163 -5.965 -26.154 1.00 33.52 H new ATOM 0 HE1 HIS A 104 16.165 -6.331 -29.876 1.00 52.10 H new ATOM 0 HE2 HIS A 104 14.307 -5.128 -28.618 1.00 41.12 H new ATOM 1583 N HIS A 105 18.191 -5.389 -25.559 1.00 60.11 N ATOM 1584 CA HIS A 105 18.267 -3.943 -25.386 1.00 3.13 C ATOM 1585 C HIS A 105 16.892 -3.303 -25.550 1.00 1.20 C ATOM 1586 O HIS A 105 16.273 -3.403 -26.609 1.00 41.23 O ATOM 1587 CB HIS A 105 19.248 -3.338 -26.391 1.00 75.44 C ATOM 1588 CG HIS A 105 18.917 -3.659 -27.817 1.00 1.14 C ATOM 1589 ND1 HIS A 105 18.179 -2.820 -28.625 1.00 32.41 N ATOM 1590 CD2 HIS A 105 19.230 -4.733 -28.578 1.00 65.20 C ATOM 1591 CE1 HIS A 105 18.051 -3.366 -29.821 1.00 52.12 C ATOM 1592 NE2 HIS A 105 18.680 -4.527 -29.819 1.00 64.02 N ATOM 0 H HIS A 105 18.655 -5.738 -26.397 1.00 60.11 H new ATOM 0 HA HIS A 105 18.624 -3.741 -24.376 1.00 3.13 H new ATOM 0 HB2 HIS A 105 19.264 -2.255 -26.265 1.00 75.44 H new ATOM 0 HB3 HIS A 105 20.252 -3.699 -26.169 1.00 75.44 H new ATOM 0 HD2 HIS A 105 19.805 -5.592 -28.267 1.00 65.20 H new ATOM 0 HE1 HIS A 105 17.522 -2.936 -30.658 1.00 52.12 H new ATOM 0 HE2 HIS A 105 18.746 -5.167 -30.611 1.00 64.02 H new ATOM 1600 N TRP A 106 16.421 -2.647 -24.496 1.00 12.12 N ATOM 1601 CA TRP A 106 15.118 -1.992 -24.523 1.00 52.13 C ATOM 1602 C TRP A 106 15.152 -0.680 -23.748 1.00 51.50 C ATOM 1603 O TRP A 106 15.217 -0.675 -22.518 1.00 73.23 O ATOM 1604 CB TRP A 106 14.047 -2.916 -23.940 1.00 3.40 C ATOM 1605 CG TRP A 106 12.656 -2.376 -24.081 1.00 62.01 C ATOM 1606 CD1 TRP A 106 11.729 -2.230 -23.089 1.00 21.30 C ATOM 1607 CD2 TRP A 106 12.035 -1.913 -25.285 1.00 12.42 C ATOM 1608 NE1 TRP A 106 10.569 -1.704 -23.603 1.00 73.25 N ATOM 1609 CE2 TRP A 106 10.731 -1.499 -24.948 1.00 72.41 C ATOM 1610 CE3 TRP A 106 12.453 -1.804 -26.614 1.00 24.43 C ATOM 1611 CZ2 TRP A 106 9.845 -0.989 -25.893 1.00 11.30 C ATOM 1612 CZ3 TRP A 106 11.573 -1.298 -27.550 1.00 52.53 C ATOM 1613 CH2 TRP A 106 10.281 -0.894 -27.187 1.00 22.05 C ATOM 0 H TRP A 106 16.921 -2.554 -23.612 1.00 12.12 H new ATOM 0 HA TRP A 106 14.871 -1.772 -25.562 1.00 52.13 H new ATOM 0 HB2 TRP A 106 14.105 -3.885 -24.435 1.00 3.40 H new ATOM 0 HB3 TRP A 106 14.258 -3.085 -22.884 1.00 3.40 H new ATOM 0 HD1 TRP A 106 11.885 -2.490 -22.052 1.00 21.30 H new ATOM 0 HE1 TRP A 106 9.724 -1.499 -23.070 1.00 73.25 H new ATOM 0 HE3 TRP A 106 13.447 -2.110 -26.904 1.00 24.43 H new ATOM 0 HZ2 TRP A 106 8.848 -0.679 -25.615 1.00 11.30 H new ATOM 0 HZ3 TRP A 106 11.886 -1.212 -28.580 1.00 52.53 H new ATOM 0 HH2 TRP A 106 9.617 -0.500 -27.942 1.00 22.05 H new ATOM 1624 N HIS A 107 15.108 0.433 -24.474 1.00 14.20 N ATOM 1625 CA HIS A 107 15.133 1.753 -23.853 1.00 34.31 C ATOM 1626 C HIS A 107 14.279 2.741 -24.642 1.00 64.02 C ATOM 1627 O HIS A 107 14.276 2.728 -25.873 1.00 62.03 O ATOM 1628 CB HIS A 107 16.569 2.266 -23.755 1.00 4.33 C ATOM 1629 CG HIS A 107 17.265 2.356 -25.078 1.00 41.00 C ATOM 1630 ND1 HIS A 107 17.396 3.535 -25.781 1.00 3.11 N ATOM 1631 CD2 HIS A 107 17.871 1.405 -25.826 1.00 23.52 C ATOM 1632 CE1 HIS A 107 18.052 3.305 -26.905 1.00 34.44 C ATOM 1633 NE2 HIS A 107 18.352 2.019 -26.956 1.00 12.42 N ATOM 0 H HIS A 107 15.055 0.447 -25.493 1.00 14.20 H new ATOM 0 HA HIS A 107 14.718 1.663 -22.849 1.00 34.31 H new ATOM 0 HB2 HIS A 107 16.563 3.251 -23.289 1.00 4.33 H new ATOM 0 HB3 HIS A 107 17.137 1.607 -23.099 1.00 4.33 H new ATOM 0 HD2 HIS A 107 17.960 0.357 -25.580 1.00 23.52 H new ATOM 0 HE1 HIS A 107 18.301 4.042 -27.654 1.00 34.44 H new ATOM 0 HE2 HIS A 107 18.858 1.558 -27.712 1.00 12.42 H new ATOM 1641 N ARG A 108 13.557 3.596 -23.926 1.00 33.45 N ATOM 1642 CA ARG A 108 12.697 4.588 -24.559 1.00 43.32 C ATOM 1643 C ARG A 108 13.497 5.826 -24.955 1.00 13.33 C ATOM 1644 O ARG A 108 14.203 6.410 -24.133 1.00 24.10 O ATOM 1645 CB ARG A 108 11.558 4.983 -23.618 1.00 0.14 C ATOM 1646 CG ARG A 108 10.723 3.805 -23.145 1.00 33.34 C ATOM 1647 CD ARG A 108 9.492 3.608 -24.017 1.00 4.24 C ATOM 1648 NE ARG A 108 8.616 4.776 -23.998 1.00 0.32 N ATOM 1649 CZ ARG A 108 7.886 5.131 -22.946 1.00 61.40 C ATOM 1650 NH1 ARG A 108 7.928 4.411 -21.833 1.00 71.13 N ATOM 1651 NH2 ARG A 108 7.113 6.207 -23.006 1.00 12.21 N ATOM 0 H ARG A 108 13.551 3.622 -22.906 1.00 33.45 H new ATOM 0 HA ARG A 108 12.275 4.144 -25.461 1.00 43.32 H new ATOM 0 HB2 ARG A 108 11.976 5.493 -22.750 1.00 0.14 H new ATOM 0 HB3 ARG A 108 10.909 5.697 -24.126 1.00 0.14 H new ATOM 0 HG2 ARG A 108 11.329 2.899 -23.159 1.00 33.34 H new ATOM 0 HG3 ARG A 108 10.416 3.967 -22.112 1.00 33.34 H new ATOM 0 HD2 ARG A 108 9.802 3.404 -25.042 1.00 4.24 H new ATOM 0 HD3 ARG A 108 8.939 2.734 -23.672 1.00 4.24 H new ATOM 0 HE ARG A 108 8.561 5.351 -24.839 1.00 0.32 H new ATOM 0 HH11 ARG A 108 8.522 3.583 -21.783 1.00 71.13 H new ATOM 0 HH12 ARG A 108 7.367 4.685 -21.027 1.00 71.13 H new ATOM 0 HH21 ARG A 108 7.078 6.763 -23.860 1.00 12.21 H new ATOM 0 HH22 ARG A 108 6.553 6.478 -22.198 1.00 12.21 H new