USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 124 ASN : amide:sc= 1.21 K(o=1.2,f=-0.035) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -162:sc= 0.134 (180deg=0) USER MOD Set 2.2: A 77 TYR OH : rot -57:sc= 0.17 USER MOD Single : A 25 GLN : amide:sc= -0.896 X(o=-0.9,f=-0.7) USER MOD Single : A 29 SER OG : rot 81:sc= 1.32 USER MOD Single : A 33 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.044) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= -0.671 (180deg=-1.83) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -57:sc=-0.00715 USER MOD Single : A 39 ASN : amide:sc= -0.0301 K(o=-0.03,f=1.2) USER MOD Single : A 41 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.018) USER MOD Single : A 62 GLN : amide:sc= -2.07 K(o=-2.1,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc=-0.00364 (180deg=-0.247) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 69 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.8!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.844 K(o=0.84,f=-0.11) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0496 (180deg=-0.288) USER MOD Single : A 98 THR OG1 : rot 25:sc= 0.385 USER MOD Single : A 101 MET CE :methyl -114:sc= -1.72 (180deg=-2.71!) USER MOD Single : A 103 LYS NZ :NH3+ 157:sc= -1.23! (180deg=-1.78!) USER MOD Single : A 104 ASN : amide:sc= -0.39 K(o=-0.39,f=-1.9) USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.036) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -160:sc= 0.532 USER MOD Single : A 110 GLN : amide:sc=-0.00214 X(o=-0.0021,f=-0.44) USER MOD Single : A 117 SER OG : rot -69:sc= 0.952 USER MOD Single : A 118 LYS NZ :NH3+ -172:sc= 0.111 (180deg=0.0263) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.424 X(o=0.42,f=-0.062) USER MOD Single : A 126 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.17) USER MOD Single : A 128 ASN : amide:sc= -0.755 K(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 -0.571 -27.679 -14.535 1.00 52.50 N ATOM 317 CA ILE A 23 -1.840 -27.683 -15.252 1.00 71.21 C ATOM 318 C ILE A 23 -2.120 -29.050 -15.867 1.00 10.42 C ATOM 319 O ILE A 23 -1.239 -29.663 -16.467 1.00 53.52 O ATOM 320 CB ILE A 23 -1.861 -26.618 -16.364 1.00 41.35 C ATOM 321 CG1 ILE A 23 -1.335 -25.283 -15.833 1.00 13.10 C ATOM 322 CG2 ILE A 23 -3.270 -26.457 -16.916 1.00 73.31 C ATOM 323 CD1 ILE A 23 -1.314 -24.185 -16.874 1.00 74.23 C ATOM 0 HA ILE A 23 -2.616 -27.450 -14.522 1.00 71.21 H new ATOM 0 HB ILE A 23 -1.209 -26.947 -17.174 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -1.954 -24.965 -14.994 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -0.326 -25.427 -15.448 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -3.269 -25.701 -17.701 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -3.610 -27.407 -17.328 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.941 -26.147 -16.115 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -0.930 -23.268 -16.428 1.00 74.23 H new ATOM 0 HD12 ILE A 23 -0.672 -24.482 -17.703 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -2.325 -24.013 -17.242 1.00 74.23 H new ATOM 335 N GLU A 24 -3.355 -29.520 -15.714 1.00 71.32 N ATOM 336 CA GLU A 24 -3.750 -30.815 -16.255 1.00 63.12 C ATOM 337 C GLU A 24 -4.805 -30.648 -17.345 1.00 45.22 C ATOM 338 O GLU A 24 -5.536 -29.659 -17.370 1.00 40.33 O ATOM 339 CB GLU A 24 -4.289 -31.714 -15.141 1.00 43.20 C ATOM 340 CG GLU A 24 -5.801 -31.662 -14.993 1.00 24.25 C ATOM 341 CD GLU A 24 -6.283 -32.288 -13.699 1.00 12.10 C ATOM 342 OE1 GLU A 24 -6.027 -33.493 -13.493 1.00 52.34 O ATOM 343 OE2 GLU A 24 -6.918 -31.575 -12.894 1.00 51.31 O ATOM 0 H GLU A 24 -4.097 -29.024 -15.221 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.869 -31.282 -16.694 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -3.987 -32.743 -15.338 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -3.830 -31.422 -14.196 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -6.131 -30.624 -15.035 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -6.263 -32.177 -15.835 1.00 24.25 H new ATOM 350 N GLN A 25 -4.876 -31.625 -18.244 1.00 72.41 N ATOM 351 CA GLN A 25 -5.841 -31.586 -19.338 1.00 70.32 C ATOM 352 C GLN A 25 -7.198 -32.113 -18.886 1.00 34.23 C ATOM 353 O GLN A 25 -7.282 -32.937 -17.975 1.00 3.23 O ATOM 354 CB GLN A 25 -5.331 -32.407 -20.524 1.00 62.23 C ATOM 355 CG GLN A 25 -5.147 -33.881 -20.209 1.00 24.51 C ATOM 356 CD GLN A 25 -3.731 -34.214 -19.778 1.00 33.21 C ATOM 357 OE1 GLN A 25 -2.790 -34.104 -20.563 1.00 64.03 O ATOM 358 NE2 GLN A 25 -3.575 -34.624 -18.525 1.00 41.21 N ATOM 0 H GLN A 25 -4.278 -32.452 -18.237 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.960 -30.548 -19.648 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -6.031 -32.306 -21.353 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -4.379 -31.994 -20.859 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -5.840 -34.169 -19.419 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -5.403 -34.471 -21.089 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -4.384 -34.700 -17.909 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -2.646 -34.863 -18.178 1.00 41.21 H new ATOM 367 N ILE A 26 -8.258 -31.632 -19.527 1.00 31.52 N ATOM 368 CA ILE A 26 -9.611 -32.056 -19.190 1.00 43.51 C ATOM 369 C ILE A 26 -10.491 -32.125 -20.434 1.00 72.10 C ATOM 370 O ILE A 26 -10.027 -31.893 -21.550 1.00 74.50 O ATOM 371 CB ILE A 26 -10.261 -31.105 -18.168 1.00 53.31 C ATOM 372 CG1 ILE A 26 -10.340 -29.686 -18.737 1.00 70.00 C ATOM 373 CG2 ILE A 26 -9.479 -31.115 -16.864 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.743 -29.261 -19.107 1.00 44.33 C ATOM 0 H ILE A 26 -8.206 -30.949 -20.282 1.00 31.52 H new ATOM 0 HA ILE A 26 -9.530 -33.050 -18.749 1.00 43.51 H new ATOM 0 HB ILE A 26 -11.274 -31.452 -17.964 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -9.939 -28.986 -18.004 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.705 -29.622 -19.620 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -9.951 -30.438 -16.152 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -9.469 -32.125 -16.453 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -8.456 -30.790 -17.051 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.723 -28.246 -19.503 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -12.141 -29.938 -19.863 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.378 -29.293 -18.222 1.00 44.33 H new ATOM 386 N GLY A 27 -11.766 -32.443 -20.234 1.00 34.03 N ATOM 387 CA GLY A 27 -12.692 -32.536 -21.348 1.00 51.40 C ATOM 388 C GLY A 27 -13.925 -31.678 -21.149 1.00 43.34 C ATOM 389 O GLY A 27 -14.134 -31.118 -20.072 1.00 62.43 O ATOM 0 H GLY A 27 -12.175 -32.638 -19.320 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -12.185 -32.232 -22.264 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.994 -33.575 -21.480 1.00 51.40 H new ATOM 393 N ASP A 28 -14.745 -31.573 -22.189 1.00 72.03 N ATOM 394 CA ASP A 28 -15.964 -30.776 -22.124 1.00 72.25 C ATOM 395 C ASP A 28 -16.972 -31.402 -21.165 1.00 30.43 C ATOM 396 O ASP A 28 -17.698 -30.697 -20.465 1.00 45.30 O ATOM 397 CB ASP A 28 -16.584 -30.639 -23.516 1.00 20.12 C ATOM 398 CG ASP A 28 -17.857 -29.816 -23.504 1.00 62.32 C ATOM 399 OD1 ASP A 28 -17.774 -28.598 -23.239 1.00 15.13 O ATOM 400 OD2 ASP A 28 -18.937 -30.390 -23.760 1.00 61.43 O ATOM 0 H ASP A 28 -14.587 -32.030 -23.087 1.00 72.03 H new ATOM 0 HA ASP A 28 -15.702 -29.786 -21.752 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -15.862 -30.176 -24.188 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -16.800 -31.631 -23.914 1.00 20.12 H new ATOM 405 N SER A 29 -17.011 -32.730 -21.139 1.00 34.14 N ATOM 406 CA SER A 29 -17.933 -33.452 -20.271 1.00 40.21 C ATOM 407 C SER A 29 -17.395 -33.517 -18.843 1.00 24.42 C ATOM 408 O SER A 29 -18.156 -33.678 -17.890 1.00 3.01 O ATOM 409 CB SER A 29 -18.169 -34.866 -20.804 1.00 63.34 C ATOM 410 OG SER A 29 -16.979 -35.411 -21.348 1.00 42.24 O ATOM 0 H SER A 29 -16.414 -33.328 -21.710 1.00 34.14 H new ATOM 0 HA SER A 29 -18.881 -32.914 -20.261 1.00 40.21 H new ATOM 0 HB2 SER A 29 -18.531 -35.506 -19.999 1.00 63.34 H new ATOM 0 HB3 SER A 29 -18.946 -34.845 -21.568 1.00 63.34 H new ATOM 0 HG SER A 29 -16.414 -35.751 -20.623 1.00 42.24 H new ATOM 416 N GLU A 30 -16.079 -33.392 -18.707 1.00 3.41 N ATOM 417 CA GLU A 30 -15.439 -33.437 -17.397 1.00 21.44 C ATOM 418 C GLU A 30 -15.284 -32.034 -16.820 1.00 70.14 C ATOM 419 O GLU A 30 -15.013 -31.866 -15.630 1.00 61.05 O ATOM 420 CB GLU A 30 -14.071 -34.115 -17.497 1.00 71.22 C ATOM 421 CG GLU A 30 -14.025 -35.248 -18.508 1.00 52.14 C ATOM 422 CD GLU A 30 -15.214 -36.182 -18.392 1.00 63.22 C ATOM 423 OE1 GLU A 30 -15.716 -36.366 -17.264 1.00 33.44 O ATOM 424 OE2 GLU A 30 -15.642 -36.728 -19.430 1.00 62.15 O ATOM 0 H GLU A 30 -15.435 -33.259 -19.487 1.00 3.41 H new ATOM 0 HA GLU A 30 -16.075 -34.017 -16.729 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -13.324 -33.368 -17.767 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -13.795 -34.503 -16.517 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.992 -34.831 -19.514 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -13.106 -35.817 -18.369 1.00 52.14 H new ATOM 431 N PHE A 31 -15.457 -31.027 -17.670 1.00 51.15 N ATOM 432 CA PHE A 31 -15.334 -29.637 -17.245 1.00 15.33 C ATOM 433 C PHE A 31 -16.069 -29.404 -15.928 1.00 52.25 C ATOM 434 O PHE A 31 -15.448 -29.221 -14.882 1.00 53.02 O ATOM 435 CB PHE A 31 -15.885 -28.702 -18.323 1.00 75.15 C ATOM 436 CG PHE A 31 -15.989 -27.270 -17.878 1.00 65.24 C ATOM 437 CD1 PHE A 31 -14.871 -26.589 -17.426 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.204 -26.607 -17.913 1.00 72.53 C ATOM 439 CE1 PHE A 31 -14.964 -25.272 -17.015 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.304 -25.291 -17.504 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.183 -24.622 -17.056 1.00 13.43 C ATOM 0 H PHE A 31 -15.683 -31.147 -18.657 1.00 51.15 H new ATOM 0 HA PHE A 31 -14.276 -29.421 -17.093 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -15.243 -28.755 -19.202 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -16.871 -29.052 -18.627 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -13.916 -27.092 -17.394 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.084 -27.125 -18.264 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.085 -24.752 -16.663 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.258 -24.786 -17.535 1.00 51.23 H new ATOM 0 HZ PHE A 31 -16.258 -23.593 -16.738 1.00 13.43 H new ATOM 451 N ASP A 32 -17.396 -29.412 -15.990 1.00 14.24 N ATOM 452 CA ASP A 32 -18.217 -29.202 -14.804 1.00 72.32 C ATOM 453 C ASP A 32 -18.074 -30.366 -13.830 1.00 72.42 C ATOM 454 O ASP A 32 -18.280 -30.211 -12.627 1.00 33.44 O ATOM 455 CB ASP A 32 -19.686 -29.029 -15.198 1.00 63.01 C ATOM 456 CG ASP A 32 -20.155 -30.098 -16.165 1.00 24.01 C ATOM 457 OD1 ASP A 32 -20.358 -31.249 -15.725 1.00 50.53 O ATOM 458 OD2 ASP A 32 -20.317 -29.785 -17.363 1.00 24.23 O ATOM 0 H ASP A 32 -17.926 -29.562 -16.849 1.00 14.24 H new ATOM 0 HA ASP A 32 -17.871 -28.294 -14.310 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.305 -29.057 -14.302 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -19.825 -28.047 -15.651 1.00 63.01 H new ATOM 463 N ASN A 33 -17.717 -31.532 -14.358 1.00 0.41 N ATOM 464 CA ASN A 33 -17.547 -32.725 -13.535 1.00 71.43 C ATOM 465 C ASN A 33 -16.531 -32.478 -12.424 1.00 5.31 C ATOM 466 O ASN A 33 -16.648 -33.026 -11.327 1.00 42.22 O ATOM 467 CB ASN A 33 -17.097 -33.906 -14.398 1.00 3.30 C ATOM 468 CG ASN A 33 -17.553 -35.238 -13.835 1.00 61.22 C ATOM 469 OD1 ASN A 33 -16.747 -36.146 -13.631 1.00 43.52 O ATOM 470 ND2 ASN A 33 -18.851 -35.362 -13.582 1.00 2.02 N ATOM 0 H ASN A 33 -17.540 -31.677 -15.352 1.00 0.41 H new ATOM 0 HA ASN A 33 -18.508 -32.962 -13.079 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -17.491 -33.787 -15.407 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -16.010 -33.901 -14.478 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -19.216 -36.236 -13.203 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -19.483 -34.583 -13.766 1.00 2.02 H new ATOM 477 N LYS A 34 -15.536 -31.647 -12.714 1.00 61.14 N ATOM 478 CA LYS A 34 -14.499 -31.324 -11.739 1.00 61.34 C ATOM 479 C LYS A 34 -14.551 -29.848 -11.359 1.00 34.21 C ATOM 480 O LYS A 34 -13.974 -29.435 -10.353 1.00 0.52 O ATOM 481 CB LYS A 34 -13.118 -31.669 -12.300 1.00 4.45 C ATOM 482 CG LYS A 34 -12.833 -31.032 -13.649 1.00 54.12 C ATOM 483 CD LYS A 34 -12.343 -32.057 -14.658 1.00 72.43 C ATOM 484 CE LYS A 34 -10.919 -32.498 -14.357 1.00 73.13 C ATOM 485 NZ LYS A 34 -10.873 -33.551 -13.305 1.00 34.51 N ATOM 0 H LYS A 34 -15.425 -31.184 -13.616 1.00 61.14 H new ATOM 0 HA LYS A 34 -14.679 -31.918 -10.843 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -12.356 -31.350 -11.589 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -13.033 -32.752 -12.394 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.738 -30.554 -14.025 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -12.084 -30.249 -13.532 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -13.003 -32.924 -14.648 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -12.389 -31.633 -15.661 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -10.456 -32.875 -15.269 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.333 -31.637 -14.035 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -10.022 -34.135 -13.435 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -10.845 -33.103 -12.367 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -11.719 -34.151 -13.377 1.00 34.51 H new ATOM 499 N VAL A 35 -15.248 -29.057 -12.170 1.00 34.33 N ATOM 500 CA VAL A 35 -15.377 -27.626 -11.917 1.00 51.44 C ATOM 501 C VAL A 35 -16.577 -27.333 -11.025 1.00 12.33 C ATOM 502 O VAL A 35 -16.445 -26.709 -9.970 1.00 34.24 O ATOM 503 CB VAL A 35 -15.521 -26.835 -13.230 1.00 22.45 C ATOM 504 CG1 VAL A 35 -16.016 -25.424 -12.952 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.200 -26.806 -13.983 1.00 15.43 C ATOM 0 H VAL A 35 -15.732 -29.383 -13.007 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.465 -27.310 -11.410 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.259 -27.337 -13.856 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.112 -24.880 -13.892 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -16.987 -25.470 -12.459 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.305 -24.910 -12.306 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.321 -26.243 -14.908 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.439 -26.329 -13.365 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -13.892 -27.825 -14.216 1.00 15.43 H new ATOM 515 N THR A 36 -17.752 -27.786 -11.453 1.00 23.22 N ATOM 516 CA THR A 36 -18.976 -27.571 -10.693 1.00 25.31 C ATOM 517 C THR A 36 -18.877 -28.188 -9.303 1.00 21.25 C ATOM 518 O THR A 36 -19.609 -27.806 -8.390 1.00 61.41 O ATOM 519 CB THR A 36 -20.199 -28.165 -11.420 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.348 -27.340 -11.199 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.482 -29.579 -10.934 1.00 14.11 C ATOM 0 H THR A 36 -17.881 -28.304 -12.322 1.00 23.22 H new ATOM 0 HA THR A 36 -19.105 -26.493 -10.600 1.00 25.31 H new ATOM 0 HB THR A 36 -19.979 -28.201 -12.487 1.00 24.40 H new ATOM 0 HG1 THR A 36 -22.120 -27.723 -11.665 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.349 -29.978 -11.461 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.616 -30.211 -11.130 1.00 14.11 H new ATOM 0 HG23 THR A 36 -20.684 -29.562 -9.863 1.00 14.11 H new ATOM 529 N SER A 37 -17.966 -29.144 -9.148 1.00 14.22 N ATOM 530 CA SER A 37 -17.773 -29.816 -7.869 1.00 52.32 C ATOM 531 C SER A 37 -16.895 -28.979 -6.943 1.00 53.20 C ATOM 532 O SER A 37 -16.966 -29.106 -5.720 1.00 32.53 O ATOM 533 CB SER A 37 -17.141 -31.193 -8.082 1.00 12.31 C ATOM 534 OG SER A 37 -17.502 -32.086 -7.043 1.00 23.30 O ATOM 0 H SER A 37 -17.350 -29.470 -9.893 1.00 14.22 H new ATOM 0 HA SER A 37 -18.750 -29.941 -7.401 1.00 52.32 H new ATOM 0 HB2 SER A 37 -17.461 -31.599 -9.042 1.00 12.31 H new ATOM 0 HB3 SER A 37 -16.056 -31.096 -8.122 1.00 12.31 H new ATOM 0 HG SER A 37 -17.087 -32.959 -7.203 1.00 23.30 H new ATOM 540 N CYS A 38 -16.068 -28.125 -7.535 1.00 31.15 N ATOM 541 CA CYS A 38 -15.174 -27.268 -6.765 1.00 55.44 C ATOM 542 C CYS A 38 -15.963 -26.390 -5.798 1.00 24.01 C ATOM 543 O CYS A 38 -16.502 -25.353 -6.184 1.00 1.31 O ATOM 544 CB CYS A 38 -14.339 -26.394 -7.701 1.00 50.43 C ATOM 545 SG CYS A 38 -13.046 -25.444 -6.868 1.00 51.34 S ATOM 0 H CYS A 38 -15.998 -28.008 -8.546 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.507 -27.907 -6.186 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -13.878 -27.029 -8.458 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -15.002 -25.704 -8.224 1.00 50.43 H new ATOM 0 HG CYS A 38 -13.581 -24.694 -5.951 1.00 51.34 H new ATOM 551 N ASN A 39 -16.027 -26.813 -4.540 1.00 43.53 N ATOM 552 CA ASN A 39 -16.752 -26.066 -3.518 1.00 34.53 C ATOM 553 C ASN A 39 -15.791 -25.258 -2.652 1.00 40.14 C ATOM 554 O ASN A 39 -16.161 -24.777 -1.580 1.00 34.52 O ATOM 555 CB ASN A 39 -17.567 -27.020 -2.642 1.00 62.21 C ATOM 556 CG ASN A 39 -18.914 -27.356 -3.253 1.00 2.12 C ATOM 557 OD1 ASN A 39 -19.015 -28.212 -4.131 1.00 62.30 O ATOM 558 ND2 ASN A 39 -19.959 -26.679 -2.788 1.00 54.11 N ATOM 0 H ASN A 39 -15.586 -27.669 -4.203 1.00 43.53 H new ATOM 0 HA ASN A 39 -17.430 -25.375 -4.019 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -17.002 -27.939 -2.487 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -17.718 -26.569 -1.661 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -20.891 -26.861 -3.160 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -19.829 -25.978 -2.059 1.00 54.11 H new ATOM 565 N ASP A 40 -14.558 -25.111 -3.123 1.00 45.34 N ATOM 566 CA ASP A 40 -13.545 -24.359 -2.393 1.00 20.02 C ATOM 567 C ASP A 40 -13.540 -22.895 -2.821 1.00 50.34 C ATOM 568 O ASP A 40 -12.619 -22.146 -2.497 1.00 73.13 O ATOM 569 CB ASP A 40 -12.162 -24.973 -2.618 1.00 44.11 C ATOM 570 CG ASP A 40 -11.947 -26.231 -1.799 1.00 41.31 C ATOM 571 OD1 ASP A 40 -11.645 -26.110 -0.593 1.00 41.24 O ATOM 572 OD2 ASP A 40 -12.080 -27.337 -2.365 1.00 0.11 O ATOM 0 H ASP A 40 -14.236 -25.503 -4.008 1.00 45.34 H new ATOM 0 HA ASP A 40 -13.788 -24.408 -1.331 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -12.039 -25.206 -3.676 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -11.396 -24.241 -2.362 1.00 44.11 H new ATOM 577 N ASN A 41 -14.576 -22.494 -3.550 1.00 64.15 N ATOM 578 CA ASN A 41 -14.691 -21.120 -4.025 1.00 33.45 C ATOM 579 C ASN A 41 -13.418 -20.684 -4.744 1.00 33.24 C ATOM 580 O ASN A 41 -13.001 -19.530 -4.646 1.00 50.23 O ATOM 581 CB ASN A 41 -14.976 -20.177 -2.854 1.00 65.20 C ATOM 582 CG ASN A 41 -16.398 -20.305 -2.342 1.00 23.13 C ATOM 583 OD1 ASN A 41 -16.625 -20.473 -1.144 1.00 25.31 O ATOM 584 ND2 ASN A 41 -17.364 -20.227 -3.250 1.00 63.34 N ATOM 0 H ASN A 41 -15.348 -23.101 -3.825 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.520 -21.074 -4.731 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -14.280 -20.389 -2.042 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -14.797 -19.148 -3.167 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -18.340 -20.307 -2.964 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -17.130 -20.087 -4.233 1.00 63.34 H new ATOM 591 N ILE A 42 -12.805 -21.616 -5.468 1.00 30.15 N ATOM 592 CA ILE A 42 -11.581 -21.328 -6.205 1.00 31.32 C ATOM 593 C ILE A 42 -11.871 -21.104 -7.685 1.00 41.34 C ATOM 594 O ILE A 42 -12.586 -21.886 -8.314 1.00 12.51 O ATOM 595 CB ILE A 42 -10.556 -22.467 -6.060 1.00 40.33 C ATOM 596 CG1 ILE A 42 -10.340 -22.804 -4.583 1.00 31.15 C ATOM 597 CG2 ILE A 42 -9.240 -22.083 -6.719 1.00 3.31 C ATOM 598 CD1 ILE A 42 -9.382 -23.953 -4.359 1.00 74.15 C ATOM 0 H ILE A 42 -13.136 -22.576 -5.559 1.00 30.15 H new ATOM 0 HA ILE A 42 -11.162 -20.417 -5.778 1.00 31.32 H new ATOM 0 HB ILE A 42 -10.946 -23.352 -6.562 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -9.962 -21.921 -4.069 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -11.301 -23.049 -4.130 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.526 -22.899 -6.608 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.407 -21.889 -7.778 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -8.843 -21.186 -6.244 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -9.277 -24.136 -3.290 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -9.769 -24.849 -4.844 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.409 -23.703 -4.782 1.00 74.15 H new ATOM 610 N LEU A 43 -11.309 -20.035 -8.237 1.00 40.54 N ATOM 611 CA LEU A 43 -11.506 -19.708 -9.646 1.00 63.50 C ATOM 612 C LEU A 43 -10.593 -20.551 -10.531 1.00 24.21 C ATOM 613 O LEU A 43 -9.370 -20.515 -10.391 1.00 62.32 O ATOM 614 CB LEU A 43 -11.240 -18.222 -9.887 1.00 50.44 C ATOM 615 CG LEU A 43 -9.884 -17.697 -9.412 1.00 62.42 C ATOM 616 CD1 LEU A 43 -8.902 -17.628 -10.572 1.00 51.24 C ATOM 617 CD2 LEU A 43 -10.039 -16.330 -8.760 1.00 42.21 C ATOM 0 H LEU A 43 -10.713 -19.379 -7.731 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.541 -19.931 -9.905 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -11.329 -18.026 -10.956 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -12.023 -17.648 -9.392 1.00 50.44 H new ATOM 0 HG LEU A 43 -9.489 -18.389 -8.668 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -7.943 -17.252 -10.215 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -8.767 -18.624 -10.994 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -9.291 -16.958 -11.339 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -9.064 -15.972 -8.428 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -10.457 -15.628 -9.482 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -10.707 -16.410 -7.903 1.00 42.21 H new ATOM 629 N ILE A 44 -11.195 -21.305 -11.445 1.00 21.31 N ATOM 630 CA ILE A 44 -10.436 -22.153 -12.355 1.00 65.53 C ATOM 631 C ILE A 44 -10.246 -21.476 -13.708 1.00 4.02 C ATOM 632 O ILE A 44 -11.211 -21.238 -14.436 1.00 24.12 O ATOM 633 CB ILE A 44 -11.129 -23.513 -12.567 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.297 -24.238 -11.231 1.00 74.33 C ATOM 635 CG2 ILE A 44 -10.332 -24.366 -13.543 1.00 30.21 C ATOM 636 CD1 ILE A 44 -12.668 -24.063 -10.617 1.00 1.45 C ATOM 0 H ILE A 44 -12.206 -21.346 -11.575 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.462 -22.318 -11.894 1.00 65.53 H new ATOM 0 HB ILE A 44 -12.118 -23.339 -12.991 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -11.106 -25.301 -11.377 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -10.545 -23.873 -10.531 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -10.834 -25.324 -13.683 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -10.259 -23.851 -14.501 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -9.331 -24.535 -13.145 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -12.715 -24.604 -9.672 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -12.854 -23.004 -10.439 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -13.424 -24.455 -11.297 1.00 1.45 H new ATOM 648 N LEU A 45 -8.997 -21.168 -14.038 1.00 43.35 N ATOM 649 CA LEU A 45 -8.679 -20.518 -15.306 1.00 3.23 C ATOM 650 C LEU A 45 -8.500 -21.550 -16.417 1.00 11.21 C ATOM 651 O LEU A 45 -7.469 -22.215 -16.499 1.00 74.13 O ATOM 652 CB LEU A 45 -7.409 -19.678 -15.166 1.00 44.40 C ATOM 653 CG LEU A 45 -7.618 -18.186 -14.903 1.00 62.25 C ATOM 654 CD1 LEU A 45 -7.494 -17.882 -13.419 1.00 40.02 C ATOM 655 CD2 LEU A 45 -6.622 -17.358 -15.704 1.00 41.32 C ATOM 0 H LEU A 45 -8.188 -21.357 -13.446 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.511 -19.866 -15.571 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -6.812 -20.090 -14.352 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -6.822 -19.787 -16.078 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.625 -17.918 -15.224 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -7.646 -16.816 -13.252 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -8.246 -18.446 -12.868 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -6.501 -18.166 -13.071 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -6.786 -16.299 -15.504 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -5.607 -17.629 -15.414 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -6.760 -17.552 -16.768 1.00 41.32 H new ATOM 667 N VAL A 46 -9.511 -21.674 -17.269 1.00 2.42 N ATOM 668 CA VAL A 46 -9.465 -22.621 -18.377 1.00 64.44 C ATOM 669 C VAL A 46 -8.963 -21.952 -19.651 1.00 14.45 C ATOM 670 O VAL A 46 -9.614 -21.062 -20.196 1.00 14.22 O ATOM 671 CB VAL A 46 -10.851 -23.238 -18.647 1.00 13.24 C ATOM 672 CG1 VAL A 46 -10.792 -24.184 -19.836 1.00 34.10 C ATOM 673 CG2 VAL A 46 -11.364 -23.956 -17.407 1.00 71.13 C ATOM 0 H VAL A 46 -10.373 -21.131 -17.214 1.00 2.42 H new ATOM 0 HA VAL A 46 -8.773 -23.412 -18.088 1.00 64.44 H new ATOM 0 HB VAL A 46 -11.547 -22.435 -18.888 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -11.780 -24.610 -20.011 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -10.471 -23.636 -20.722 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -10.083 -24.985 -19.628 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -12.344 -24.386 -17.615 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -10.670 -24.750 -17.133 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.446 -23.246 -16.584 1.00 71.13 H new ATOM 683 N ASP A 47 -7.798 -22.387 -20.121 1.00 71.33 N ATOM 684 CA ASP A 47 -7.207 -21.831 -21.333 1.00 75.44 C ATOM 685 C ASP A 47 -7.257 -22.842 -22.474 1.00 44.42 C ATOM 686 O ASP A 47 -7.505 -24.028 -22.257 1.00 2.15 O ATOM 687 CB ASP A 47 -5.761 -21.408 -21.073 1.00 2.13 C ATOM 688 CG ASP A 47 -4.795 -22.575 -21.141 1.00 51.30 C ATOM 689 OD1 ASP A 47 -4.447 -22.993 -22.265 1.00 25.30 O ATOM 690 OD2 ASP A 47 -4.387 -23.070 -20.069 1.00 35.11 O ATOM 0 H ASP A 47 -7.245 -23.122 -19.681 1.00 71.33 H new ATOM 0 HA ASP A 47 -7.787 -20.955 -21.622 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.469 -20.655 -21.805 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -5.693 -20.941 -20.091 1.00 2.13 H new ATOM 695 N PHE A 48 -7.021 -22.364 -23.692 1.00 52.31 N ATOM 696 CA PHE A 48 -7.041 -23.225 -24.868 1.00 61.22 C ATOM 697 C PHE A 48 -5.668 -23.271 -25.533 1.00 3.21 C ATOM 698 O PHE A 48 -5.210 -22.283 -26.105 1.00 44.32 O ATOM 699 CB PHE A 48 -8.087 -22.732 -25.870 1.00 14.53 C ATOM 700 CG PHE A 48 -8.014 -23.421 -27.202 1.00 12.12 C ATOM 701 CD1 PHE A 48 -7.863 -24.796 -27.278 1.00 52.21 C ATOM 702 CD2 PHE A 48 -8.096 -22.693 -28.378 1.00 11.40 C ATOM 703 CE1 PHE A 48 -7.795 -25.433 -28.503 1.00 54.22 C ATOM 704 CE2 PHE A 48 -8.029 -23.326 -29.606 1.00 0.41 C ATOM 705 CZ PHE A 48 -7.877 -24.697 -29.669 1.00 2.15 C ATOM 0 H PHE A 48 -6.814 -21.385 -23.890 1.00 52.31 H new ATOM 0 HA PHE A 48 -7.303 -24.232 -24.544 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -9.081 -22.880 -25.448 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -7.960 -21.660 -26.017 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -7.798 -25.377 -26.370 1.00 52.21 H new ATOM 0 HD2 PHE A 48 -8.213 -21.620 -28.335 1.00 11.40 H new ATOM 0 HE1 PHE A 48 -7.678 -26.506 -28.548 1.00 54.22 H new ATOM 0 HE2 PHE A 48 -8.096 -22.748 -30.516 1.00 0.41 H new ATOM 0 HZ PHE A 48 -7.822 -25.192 -30.627 1.00 2.15 H new ATOM 884 N GLU A 60 2.631 -17.770 -22.165 1.00 12.25 N ATOM 885 CA GLU A 60 2.267 -16.970 -21.001 1.00 32.45 C ATOM 886 C GLU A 60 2.433 -17.774 -19.715 1.00 55.42 C ATOM 887 O GLU A 60 1.461 -18.184 -19.080 1.00 62.12 O ATOM 888 CB GLU A 60 0.823 -16.477 -21.126 1.00 30.34 C ATOM 889 CG GLU A 60 0.553 -15.190 -20.365 1.00 32.33 C ATOM 890 CD GLU A 60 -0.918 -14.820 -20.349 1.00 23.13 C ATOM 891 OE1 GLU A 60 -1.714 -15.525 -21.004 1.00 35.42 O ATOM 892 OE2 GLU A 60 -1.272 -13.825 -19.683 1.00 50.14 O ATOM 0 HA GLU A 60 2.935 -16.110 -20.959 1.00 32.45 H new ATOM 0 HB2 GLU A 60 0.590 -16.322 -22.180 1.00 30.34 H new ATOM 0 HB3 GLU A 60 0.150 -17.253 -20.762 1.00 30.34 H new ATOM 0 HG2 GLU A 60 0.908 -15.297 -19.340 1.00 32.33 H new ATOM 0 HG3 GLU A 60 1.123 -14.378 -20.817 1.00 32.33 H new ATOM 899 N PRO A 61 3.694 -18.006 -19.321 1.00 14.41 N ATOM 900 CA PRO A 61 4.018 -18.761 -18.109 1.00 50.20 C ATOM 901 C PRO A 61 3.657 -18.001 -16.837 1.00 41.53 C ATOM 902 O PRO A 61 3.597 -18.580 -15.753 1.00 22.32 O ATOM 903 CB PRO A 61 5.534 -18.953 -18.204 1.00 62.02 C ATOM 904 CG PRO A 61 6.007 -17.821 -19.048 1.00 1.52 C ATOM 905 CD PRO A 61 4.901 -17.546 -20.029 1.00 3.21 C ATOM 0 HA PRO A 61 3.459 -19.695 -18.050 1.00 50.20 H new ATOM 0 HB2 PRO A 61 5.998 -18.933 -17.218 1.00 62.02 H new ATOM 0 HB3 PRO A 61 5.784 -19.914 -18.654 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.217 -16.941 -18.439 1.00 1.52 H new ATOM 0 HG3 PRO A 61 6.932 -18.079 -19.564 1.00 1.52 H new ATOM 0 HD2 PRO A 61 4.841 -16.487 -20.280 1.00 3.21 H new ATOM 0 HD3 PRO A 61 5.049 -18.087 -20.964 1.00 3.21 H new ATOM 913 N GLN A 62 3.417 -16.701 -16.979 1.00 11.15 N ATOM 914 CA GLN A 62 3.062 -15.862 -15.841 1.00 4.33 C ATOM 915 C GLN A 62 1.840 -16.416 -15.115 1.00 54.12 C ATOM 916 O GLN A 62 1.730 -16.314 -13.893 1.00 64.54 O ATOM 917 CB GLN A 62 2.790 -14.429 -16.302 1.00 70.43 C ATOM 918 CG GLN A 62 3.941 -13.810 -17.077 1.00 42.43 C ATOM 919 CD GLN A 62 3.491 -12.698 -18.003 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.033 -11.593 -17.975 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.493 -12.985 -18.831 1.00 53.33 N ATOM 0 H GLN A 62 3.462 -16.207 -17.870 1.00 11.15 H new ATOM 0 HA GLN A 62 3.903 -15.860 -15.148 1.00 4.33 H new ATOM 0 HB2 GLN A 62 1.897 -14.421 -16.926 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.576 -13.810 -15.430 1.00 70.43 H new ATOM 0 HG2 GLN A 62 4.677 -13.417 -16.375 1.00 42.43 H new ATOM 0 HG3 GLN A 62 4.439 -14.584 -17.661 1.00 42.43 H new ATOM 0 HE21 GLN A 62 2.073 -13.914 -18.820 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.147 -12.276 -19.477 1.00 53.33 H new ATOM 930 N LEU A 63 0.923 -17.004 -15.876 1.00 3.30 N ATOM 931 CA LEU A 63 -0.293 -17.574 -15.307 1.00 51.52 C ATOM 932 C LEU A 63 0.039 -18.695 -14.326 1.00 11.10 C ATOM 933 O LEU A 63 -0.477 -18.729 -13.210 1.00 50.22 O ATOM 934 CB LEU A 63 -1.200 -18.106 -16.419 1.00 63.14 C ATOM 935 CG LEU A 63 -2.187 -17.103 -17.014 1.00 4.31 C ATOM 936 CD1 LEU A 63 -3.275 -16.760 -16.007 1.00 33.34 C ATOM 937 CD2 LEU A 63 -1.463 -15.845 -17.469 1.00 44.21 C ATOM 0 H LEU A 63 0.999 -17.098 -16.889 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.816 -16.785 -14.766 1.00 51.52 H new ATOM 0 HB2 LEU A 63 -0.571 -18.487 -17.223 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.764 -18.952 -16.027 1.00 63.14 H new ATOM 0 HG LEU A 63 -2.658 -17.561 -17.884 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -3.968 -16.044 -16.450 1.00 33.34 H new ATOM 0 HD12 LEU A 63 -3.815 -17.666 -15.732 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -2.822 -16.324 -15.117 1.00 33.34 H new ATOM 0 HD21 LEU A 63 -2.183 -15.143 -17.890 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -0.963 -15.385 -16.617 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -0.724 -16.105 -18.227 1.00 44.21 H new ATOM 949 N GLU A 64 0.907 -19.608 -14.752 1.00 45.21 N ATOM 950 CA GLU A 64 1.308 -20.729 -13.910 1.00 2.31 C ATOM 951 C GLU A 64 2.136 -20.248 -12.721 1.00 45.41 C ATOM 952 O GLU A 64 1.951 -20.708 -11.594 1.00 21.22 O ATOM 953 CB GLU A 64 2.111 -21.746 -14.725 1.00 23.31 C ATOM 954 CG GLU A 64 1.499 -22.059 -16.080 1.00 22.31 C ATOM 955 CD GLU A 64 1.749 -23.489 -16.516 1.00 12.53 C ATOM 956 OE1 GLU A 64 1.750 -24.383 -15.644 1.00 51.52 O ATOM 957 OE2 GLU A 64 1.942 -23.715 -17.729 1.00 32.21 O ATOM 0 H GLU A 64 1.345 -19.593 -15.673 1.00 45.21 H new ATOM 0 HA GLU A 64 0.404 -21.208 -13.532 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.122 -21.365 -14.871 1.00 23.31 H new ATOM 0 HB3 GLU A 64 2.198 -22.670 -14.153 1.00 23.31 H new ATOM 0 HG2 GLU A 64 0.425 -21.878 -16.040 1.00 22.31 H new ATOM 0 HG3 GLU A 64 1.910 -21.379 -16.826 1.00 22.31 H new ATOM 964 N LYS A 65 3.049 -19.318 -12.981 1.00 53.21 N ATOM 965 CA LYS A 65 3.905 -18.772 -11.934 1.00 34.44 C ATOM 966 C LYS A 65 3.071 -18.223 -10.781 1.00 3.12 C ATOM 967 O LYS A 65 3.278 -18.589 -9.623 1.00 2.53 O ATOM 968 CB LYS A 65 4.799 -17.668 -12.502 1.00 20.12 C ATOM 969 CG LYS A 65 6.173 -18.156 -12.926 1.00 22.54 C ATOM 970 CD LYS A 65 6.669 -17.425 -14.162 1.00 64.11 C ATOM 971 CE LYS A 65 7.526 -16.224 -13.793 1.00 75.14 C ATOM 972 NZ LYS A 65 6.725 -15.148 -13.146 1.00 55.11 N ATOM 0 H LYS A 65 3.215 -18.927 -13.908 1.00 53.21 H new ATOM 0 HA LYS A 65 4.532 -19.579 -11.554 1.00 34.44 H new ATOM 0 HB2 LYS A 65 4.302 -17.216 -13.360 1.00 20.12 H new ATOM 0 HB3 LYS A 65 4.916 -16.885 -11.753 1.00 20.12 H new ATOM 0 HG2 LYS A 65 6.879 -18.011 -12.109 1.00 22.54 H new ATOM 0 HG3 LYS A 65 6.134 -19.227 -13.127 1.00 22.54 H new ATOM 0 HD2 LYS A 65 7.247 -18.109 -14.783 1.00 64.11 H new ATOM 0 HD3 LYS A 65 5.817 -17.096 -14.758 1.00 64.11 H new ATOM 0 HE2 LYS A 65 8.322 -16.540 -13.118 1.00 75.14 H new ATOM 0 HE3 LYS A 65 8.005 -15.831 -14.690 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 7.285 -14.272 -13.110 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 5.858 -14.982 -13.696 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 6.472 -15.437 -12.180 1.00 55.11 H new ATOM 986 N LEU A 66 2.129 -17.345 -11.104 1.00 62.23 N ATOM 987 CA LEU A 66 1.262 -16.746 -10.095 1.00 42.40 C ATOM 988 C LEU A 66 0.274 -17.771 -9.547 1.00 34.31 C ATOM 989 O LEU A 66 -0.101 -17.722 -8.377 1.00 43.55 O ATOM 990 CB LEU A 66 0.505 -15.555 -10.687 1.00 35.22 C ATOM 991 CG LEU A 66 1.180 -14.192 -10.542 1.00 12.31 C ATOM 992 CD1 LEU A 66 1.339 -13.828 -9.074 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.529 -14.188 -11.244 1.00 20.50 C ATOM 0 H LEU A 66 1.945 -17.031 -12.057 1.00 62.23 H new ATOM 0 HA LEU A 66 1.888 -16.398 -9.273 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.340 -15.746 -11.748 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.477 -15.504 -10.216 1.00 35.22 H new ATOM 0 HG LEU A 66 0.545 -13.442 -11.014 1.00 12.31 H new ATOM 0 HD11 LEU A 66 1.822 -12.854 -8.991 1.00 3.13 H new ATOM 0 HD12 LEU A 66 0.358 -13.788 -8.601 1.00 3.13 H new ATOM 0 HD13 LEU A 66 1.952 -14.580 -8.577 1.00 3.13 H new ATOM 0 HD21 LEU A 66 2.995 -13.209 -11.130 1.00 20.50 H new ATOM 0 HD22 LEU A 66 3.171 -14.950 -10.802 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.388 -14.402 -12.303 1.00 20.50 H new ATOM 1005 N ALA A 67 -0.142 -18.700 -10.403 1.00 62.40 N ATOM 1006 CA ALA A 67 -1.082 -19.739 -10.004 1.00 31.15 C ATOM 1007 C ALA A 67 -0.599 -20.466 -8.754 1.00 1.14 C ATOM 1008 O ALA A 67 -1.403 -20.941 -7.953 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.292 -20.726 -11.143 1.00 20.14 C ATOM 0 H ALA A 67 0.158 -18.753 -11.377 1.00 62.40 H new ATOM 0 HA ALA A 67 -2.034 -19.263 -9.770 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -1.997 -21.497 -10.831 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.690 -20.200 -12.011 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.340 -21.189 -11.404 1.00 20.14 H new ATOM 1015 N GLN A 68 0.718 -20.549 -8.595 1.00 12.15 N ATOM 1016 CA GLN A 68 1.308 -21.220 -7.442 1.00 64.31 C ATOM 1017 C GLN A 68 1.313 -20.304 -6.223 1.00 50.20 C ATOM 1018 O GLN A 68 1.215 -20.767 -5.087 1.00 5.42 O ATOM 1019 CB GLN A 68 2.733 -21.672 -7.762 1.00 4.24 C ATOM 1020 CG GLN A 68 2.796 -22.939 -8.601 1.00 32.35 C ATOM 1021 CD GLN A 68 4.132 -23.111 -9.297 1.00 43.12 C ATOM 1022 OE1 GLN A 68 5.180 -22.769 -8.748 1.00 72.41 O ATOM 1023 NE2 GLN A 68 4.102 -23.645 -10.512 1.00 1.41 N ATOM 0 H GLN A 68 1.397 -20.160 -9.250 1.00 12.15 H new ATOM 0 HA GLN A 68 0.700 -22.096 -7.213 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.249 -20.870 -8.290 1.00 4.24 H new ATOM 0 HB3 GLN A 68 3.271 -21.837 -6.829 1.00 4.24 H new ATOM 0 HG2 GLN A 68 2.609 -23.803 -7.963 1.00 32.35 H new ATOM 0 HG3 GLN A 68 2.002 -22.916 -9.347 1.00 32.35 H new ATOM 0 HE21 GLN A 68 3.211 -23.914 -10.929 1.00 1.41 H new ATOM 0 HE22 GLN A 68 4.970 -23.786 -11.029 1.00 1.41 H new ATOM 1032 N GLN A 69 1.428 -19.002 -6.467 1.00 75.41 N ATOM 1033 CA GLN A 69 1.448 -18.022 -5.389 1.00 73.40 C ATOM 1034 C GLN A 69 0.047 -17.806 -4.824 1.00 43.13 C ATOM 1035 O GLN A 69 -0.113 -17.432 -3.662 1.00 45.10 O ATOM 1036 CB GLN A 69 2.019 -16.694 -5.889 1.00 50.41 C ATOM 1037 CG GLN A 69 3.486 -16.772 -6.278 1.00 72.14 C ATOM 1038 CD GLN A 69 4.157 -15.413 -6.303 1.00 5.22 C ATOM 1039 OE1 GLN A 69 3.556 -14.404 -5.930 1.00 1.33 O ATOM 1040 NE2 GLN A 69 5.409 -15.377 -6.743 1.00 61.43 N ATOM 0 H GLN A 69 1.509 -18.602 -7.402 1.00 75.41 H new ATOM 0 HA GLN A 69 2.086 -18.407 -4.593 1.00 73.40 H new ATOM 0 HB2 GLN A 69 1.440 -16.360 -6.750 1.00 50.41 H new ATOM 0 HB3 GLN A 69 1.897 -15.940 -5.112 1.00 50.41 H new ATOM 0 HG2 GLN A 69 4.010 -17.419 -5.575 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.573 -17.234 -7.261 1.00 72.14 H new ATOM 0 HE21 GLN A 69 5.869 -16.237 -7.042 1.00 61.43 H new ATOM 0 HE22 GLN A 69 5.911 -14.490 -6.782 1.00 61.43 H new ATOM 1049 N TYR A 70 -0.963 -18.043 -5.654 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.350 -17.871 -5.238 1.00 13.24 C ATOM 1051 C TYR A 70 -3.145 -19.157 -5.447 1.00 13.40 C ATOM 1052 O TYR A 70 -4.370 -19.132 -5.561 1.00 60.12 O ATOM 1053 CB TYR A 70 -2.999 -16.725 -6.015 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.366 -15.378 -5.750 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -2.369 -14.826 -4.475 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -1.764 -14.657 -6.774 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -1.792 -13.596 -4.228 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -1.184 -13.426 -6.536 1.00 43.53 C ATOM 1059 CZ TYR A 70 -1.202 -12.899 -5.262 1.00 60.24 C ATOM 1060 OH TYR A 70 -0.624 -11.674 -5.020 1.00 32.23 O ATOM 0 H TYR A 70 -0.847 -18.355 -6.618 1.00 25.32 H new ATOM 0 HA TYR A 70 -2.357 -17.630 -4.175 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -2.940 -16.941 -7.082 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -4.057 -16.677 -5.758 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -2.831 -15.368 -3.663 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -1.749 -15.066 -7.773 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -1.803 -13.182 -3.231 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -0.719 -12.880 -7.343 1.00 43.53 H new ATOM 0 HH TYR A 70 -0.253 -11.317 -5.854 1.00 32.23 H new ATOM 1070 N THR A 71 -2.436 -20.281 -5.497 1.00 53.31 N ATOM 1071 CA THR A 71 -3.073 -21.577 -5.692 1.00 63.45 C ATOM 1072 C THR A 71 -4.161 -21.818 -4.652 1.00 25.02 C ATOM 1073 O THR A 71 -5.077 -22.609 -4.872 1.00 11.42 O ATOM 1074 CB THR A 71 -2.046 -22.724 -5.620 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.650 -23.949 -6.051 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.514 -22.885 -4.205 1.00 62.15 C ATOM 0 H THR A 71 -1.421 -20.319 -5.405 1.00 53.31 H new ATOM 0 HA THR A 71 -3.522 -21.562 -6.685 1.00 63.45 H new ATOM 0 HB THR A 71 -1.213 -22.479 -6.278 1.00 51.51 H new ATOM 0 HG1 THR A 71 -1.991 -24.673 -6.004 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.791 -23.700 -4.179 1.00 62.15 H new ATOM 0 HG22 THR A 71 -1.030 -21.960 -3.891 1.00 62.15 H new ATOM 0 HG23 THR A 71 -2.339 -23.110 -3.529 1.00 62.15 H new ATOM 1084 N GLU A 72 -4.052 -21.131 -3.519 1.00 42.03 N ATOM 1085 CA GLU A 72 -5.028 -21.272 -2.445 1.00 25.13 C ATOM 1086 C GLU A 72 -6.442 -21.017 -2.958 1.00 64.22 C ATOM 1087 O GLU A 72 -7.392 -21.680 -2.545 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.706 -20.306 -1.303 1.00 62.10 C ATOM 1089 CG GLU A 72 -3.510 -20.730 -0.466 1.00 10.13 C ATOM 1090 CD GLU A 72 -3.054 -19.646 0.490 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -2.210 -18.817 0.091 1.00 54.20 O ATOM 1092 OE2 GLU A 72 -3.542 -19.625 1.640 1.00 3.33 O ATOM 0 H GLU A 72 -3.299 -20.472 -3.321 1.00 42.03 H new ATOM 0 HA GLU A 72 -4.974 -22.295 -2.072 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.516 -19.316 -1.718 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.579 -20.218 -0.656 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -3.767 -21.625 0.101 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.685 -20.997 -1.127 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.573 -20.050 -3.861 1.00 43.45 N ATOM 1100 CA ASN A 73 -7.871 -19.705 -4.430 1.00 72.45 C ATOM 1101 C ASN A 73 -7.762 -19.480 -5.934 1.00 43.54 C ATOM 1102 O ASN A 73 -8.586 -18.787 -6.530 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.431 -18.452 -3.754 1.00 62.14 C ATOM 1104 CG ASN A 73 -9.944 -18.472 -3.661 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.508 -18.739 -2.599 1.00 54.33 O ATOM 1106 ND2 ASN A 73 -10.609 -18.190 -4.774 1.00 12.25 N ATOM 0 H ASN A 73 -5.796 -19.492 -4.214 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.551 -20.539 -4.254 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -8.009 -18.364 -2.753 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -8.116 -17.570 -4.312 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -11.629 -18.189 -4.772 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -10.100 -17.975 -5.631 1.00 12.25 H new ATOM 1113 N VAL A 74 -6.739 -20.071 -6.544 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.523 -19.938 -7.979 1.00 42.34 C ATOM 1115 C VAL A 74 -6.215 -21.287 -8.618 1.00 24.52 C ATOM 1116 O VAL A 74 -5.473 -22.095 -8.059 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.371 -18.963 -8.285 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.144 -18.857 -9.786 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -5.656 -17.595 -7.683 1.00 13.41 C ATOM 0 H VAL A 74 -6.046 -20.647 -6.065 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.447 -19.543 -8.401 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.460 -19.352 -7.831 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.326 -18.164 -9.982 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -4.891 -19.839 -10.186 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.052 -18.492 -10.266 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -4.831 -16.919 -7.909 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -6.578 -17.196 -8.106 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -5.763 -17.688 -6.602 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.790 -21.525 -9.792 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.576 -22.777 -10.509 1.00 54.30 C ATOM 1131 C LYS A 75 -6.394 -22.524 -12.002 1.00 41.22 C ATOM 1132 O LYS A 75 -6.741 -21.455 -12.507 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.756 -23.726 -10.282 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.580 -24.638 -9.080 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.642 -25.794 -9.390 1.00 22.44 C ATOM 1136 CE LYS A 75 -6.317 -26.597 -8.140 1.00 73.13 C ATOM 1137 NZ LYS A 75 -5.689 -27.906 -8.470 1.00 54.32 N ATOM 0 H LYS A 75 -7.408 -20.867 -10.267 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.667 -23.238 -10.123 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.665 -23.138 -10.152 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -7.897 -24.337 -11.174 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -7.187 -24.064 -8.241 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -8.550 -25.028 -8.773 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -7.100 -26.446 -10.134 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -5.720 -25.409 -9.827 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -5.645 -26.022 -7.503 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -7.230 -26.766 -7.569 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -5.760 -28.542 -7.650 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -6.180 -28.332 -9.282 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -4.688 -27.760 -8.709 1.00 54.32 H new ATOM 1151 N ILE A 76 -5.850 -23.513 -12.702 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.625 -23.398 -14.139 1.00 74.21 C ATOM 1153 C ILE A 76 -5.706 -24.760 -14.819 1.00 73.53 C ATOM 1154 O ILE A 76 -5.050 -25.715 -14.401 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.255 -22.765 -14.444 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.159 -21.373 -13.816 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -4.028 -22.691 -15.946 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -2.854 -20.666 -14.108 1.00 71.25 C ATOM 0 H ILE A 76 -5.557 -24.403 -12.299 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.411 -22.752 -14.531 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.477 -23.393 -14.009 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -4.984 -20.761 -14.181 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.281 -21.461 -12.736 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -3.055 -22.241 -16.145 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -4.057 -23.695 -16.368 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -4.809 -22.083 -16.403 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -2.857 -19.686 -13.632 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -2.025 -21.257 -13.718 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -2.739 -20.546 -15.185 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.514 -24.842 -15.870 1.00 44.05 N ATOM 1171 CA TYR A 77 -6.681 -26.087 -16.609 1.00 41.33 C ATOM 1172 C TYR A 77 -6.801 -25.821 -18.107 1.00 64.33 C ATOM 1173 O TYR A 77 -6.911 -24.673 -18.538 1.00 10.43 O ATOM 1174 CB TYR A 77 -7.920 -26.836 -16.113 1.00 72.10 C ATOM 1175 CG TYR A 77 -7.742 -27.464 -14.750 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -6.582 -28.158 -14.428 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -8.734 -27.363 -13.782 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -6.416 -28.734 -13.183 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -8.576 -27.936 -12.534 1.00 23.03 C ATOM 1180 CZ TYR A 77 -7.416 -28.620 -12.241 1.00 14.33 C ATOM 1181 OH TYR A 77 -7.254 -29.191 -10.999 1.00 41.31 O ATOM 0 H TYR A 77 -7.063 -24.061 -16.229 1.00 44.05 H new ATOM 0 HA TYR A 77 -5.798 -26.702 -16.437 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -8.762 -26.145 -16.078 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -8.176 -27.614 -16.832 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -5.796 -28.249 -15.164 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -9.644 -26.828 -14.009 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -5.508 -29.270 -12.949 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -9.357 -27.848 -11.793 1.00 23.03 H new ATOM 0 HH TYR A 77 -7.088 -30.152 -11.100 1.00 41.31 H new ATOM 1191 N LYS A 78 -6.779 -26.890 -18.895 1.00 23.53 N ATOM 1192 CA LYS A 78 -6.886 -26.775 -20.345 1.00 3.52 C ATOM 1193 C LYS A 78 -7.401 -28.074 -20.957 1.00 53.52 C ATOM 1194 O LYS A 78 -7.590 -29.069 -20.256 1.00 32.22 O ATOM 1195 CB LYS A 78 -5.527 -26.418 -20.950 1.00 32.21 C ATOM 1196 CG LYS A 78 -4.619 -27.618 -21.160 1.00 32.34 C ATOM 1197 CD LYS A 78 -4.300 -28.313 -19.847 1.00 31.11 C ATOM 1198 CE LYS A 78 -3.300 -29.442 -20.042 1.00 21.42 C ATOM 1199 NZ LYS A 78 -1.981 -28.939 -20.518 1.00 41.41 N ATOM 0 H LYS A 78 -6.688 -27.847 -18.554 1.00 23.53 H new ATOM 0 HA LYS A 78 -7.597 -25.980 -20.570 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -5.684 -25.920 -21.907 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -5.025 -25.703 -20.298 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -5.098 -28.323 -21.839 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -3.693 -27.296 -21.636 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -3.898 -27.588 -19.139 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -5.217 -28.709 -19.412 1.00 31.11 H new ATOM 0 HE2 LYS A 78 -3.167 -29.976 -19.101 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -3.697 -30.158 -20.762 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -1.259 -29.675 -20.382 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 -2.045 -28.699 -21.528 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 -1.717 -28.091 -19.977 1.00 41.41 H new ATOM 1490 N THR A 98 -7.314 -18.032 -25.499 1.00 45.20 N ATOM 1491 CA THR A 98 -8.154 -17.315 -24.548 1.00 23.33 C ATOM 1492 C THR A 98 -8.260 -18.071 -23.229 1.00 42.13 C ATOM 1493 O THR A 98 -7.975 -19.268 -23.164 1.00 12.55 O ATOM 1494 CB THR A 98 -9.569 -17.084 -25.109 1.00 62.14 C ATOM 1495 OG1 THR A 98 -9.501 -16.815 -26.514 1.00 63.21 O ATOM 1496 CG2 THR A 98 -10.252 -15.926 -24.398 1.00 55.04 C ATOM 0 HA THR A 98 -7.679 -16.350 -24.374 1.00 23.33 H new ATOM 0 HB THR A 98 -10.154 -17.988 -24.940 1.00 62.14 H new ATOM 0 HG1 THR A 98 -8.687 -17.215 -26.885 1.00 63.21 H new ATOM 0 HG21 THR A 98 -11.250 -15.783 -24.812 1.00 55.04 H new ATOM 0 HG22 THR A 98 -10.329 -16.147 -23.333 1.00 55.04 H new ATOM 0 HG23 THR A 98 -9.667 -15.017 -24.538 1.00 55.04 H new ATOM 1504 N ILE A 99 -8.673 -17.368 -22.180 1.00 62.15 N ATOM 1505 CA ILE A 99 -8.817 -17.975 -20.863 1.00 43.54 C ATOM 1506 C ILE A 99 -10.111 -17.528 -20.191 1.00 65.44 C ATOM 1507 O ILE A 99 -10.517 -16.371 -20.307 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.630 -17.625 -19.947 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.308 -17.816 -20.695 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.661 -18.479 -18.688 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.093 -17.424 -19.883 1.00 74.33 C ATOM 0 H ILE A 99 -8.914 -16.378 -22.217 1.00 62.15 H new ATOM 0 HA ILE A 99 -8.842 -19.054 -21.015 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.713 -16.579 -19.654 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -6.215 -18.861 -20.992 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.329 -17.225 -21.611 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -6.815 -18.219 -18.051 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.591 -18.298 -18.148 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -7.599 -19.532 -18.961 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.192 -17.585 -20.475 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -5.163 -16.371 -19.608 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -5.047 -18.032 -18.980 1.00 74.33 H new ATOM 1523 N LEU A 100 -10.755 -18.452 -19.485 1.00 14.13 N ATOM 1524 CA LEU A 100 -12.004 -18.153 -18.793 1.00 74.13 C ATOM 1525 C LEU A 100 -11.977 -18.696 -17.367 1.00 51.03 C ATOM 1526 O LEU A 100 -11.562 -19.830 -17.132 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.188 -18.747 -19.556 1.00 11.41 C ATOM 1528 CG LEU A 100 -13.410 -18.214 -20.971 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -14.268 -19.178 -21.776 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -14.052 -16.835 -20.927 1.00 10.22 C ATOM 0 H LEU A 100 -10.433 -19.414 -19.377 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.117 -17.070 -18.748 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -13.053 -19.827 -19.613 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -14.094 -18.570 -18.976 1.00 11.41 H new ATOM 0 HG LEU A 100 -12.441 -18.126 -21.462 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -14.415 -18.782 -22.781 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -13.769 -20.145 -21.837 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -15.235 -19.299 -21.288 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -14.203 -16.471 -21.943 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.014 -16.897 -20.418 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -13.400 -16.147 -20.388 1.00 10.22 H new ATOM 1542 N MET A 101 -12.427 -17.879 -16.421 1.00 44.04 N ATOM 1543 CA MET A 101 -12.459 -18.280 -15.018 1.00 51.33 C ATOM 1544 C MET A 101 -13.826 -18.843 -14.645 1.00 12.11 C ATOM 1545 O MET A 101 -14.828 -18.128 -14.656 1.00 52.43 O ATOM 1546 CB MET A 101 -12.122 -17.089 -14.118 1.00 34.22 C ATOM 1547 CG MET A 101 -10.631 -16.824 -13.993 1.00 12.34 C ATOM 1548 SD MET A 101 -10.260 -15.446 -12.892 1.00 53.14 S ATOM 1549 CE MET A 101 -8.971 -14.611 -13.816 1.00 41.24 C ATOM 0 H MET A 101 -12.774 -16.937 -16.599 1.00 44.04 H new ATOM 0 HA MET A 101 -11.712 -19.060 -14.871 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.609 -16.197 -14.512 1.00 34.22 H new ATOM 0 HB3 MET A 101 -12.536 -17.266 -13.125 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.136 -17.722 -13.624 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.219 -16.616 -14.980 1.00 12.34 H new ATOM 0 HE1 MET A 101 -8.031 -14.675 -13.268 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.856 -15.086 -14.791 1.00 41.24 H new ATOM 0 HE3 MET A 101 -9.241 -13.564 -13.952 1.00 41.24 H new ATOM 1559 N PHE A 102 -13.860 -20.130 -14.315 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.105 -20.790 -13.940 1.00 22.24 C ATOM 1561 C PHE A 102 -14.942 -21.554 -12.628 1.00 24.11 C ATOM 1562 O PHE A 102 -13.853 -22.027 -12.303 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.554 -21.746 -15.046 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.959 -21.049 -16.314 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -17.043 -20.187 -16.329 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -15.254 -21.256 -17.489 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -17.417 -19.544 -17.494 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -15.625 -20.615 -18.657 1.00 54.11 C ATOM 1569 CZ PHE A 102 -16.707 -19.758 -18.659 1.00 21.31 C ATOM 0 H PHE A 102 -13.040 -20.736 -14.300 1.00 41.14 H new ATOM 0 HA PHE A 102 -15.866 -20.022 -13.802 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.743 -22.441 -15.266 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -16.393 -22.340 -14.683 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.602 -20.015 -15.421 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -14.406 -21.925 -17.493 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -18.264 -18.874 -17.493 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -15.069 -20.785 -19.567 1.00 54.11 H new ATOM 0 HZ PHE A 102 -16.998 -19.256 -19.570 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.033 -21.667 -11.878 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.013 -22.372 -10.601 1.00 14.34 C ATOM 1581 C LYS A 103 -17.429 -22.572 -10.069 1.00 42.13 C ATOM 1582 O LYS A 103 -18.246 -21.654 -10.093 1.00 4.33 O ATOM 1583 CB LYS A 103 -15.178 -21.598 -9.580 1.00 55.11 C ATOM 1584 CG LYS A 103 -15.889 -20.386 -9.004 1.00 53.23 C ATOM 1585 CD LYS A 103 -15.044 -19.691 -7.951 1.00 73.44 C ATOM 1586 CE LYS A 103 -15.810 -18.565 -7.275 1.00 31.03 C ATOM 1587 NZ LYS A 103 -14.941 -17.773 -6.361 1.00 61.33 N ATOM 0 H LYS A 103 -16.942 -21.280 -12.132 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.562 -23.351 -10.762 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -14.903 -22.268 -8.766 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -14.251 -21.274 -10.053 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -16.122 -19.685 -9.806 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -16.838 -20.695 -8.565 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -14.725 -20.416 -7.202 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -14.141 -19.292 -8.413 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -16.233 -17.907 -8.034 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -16.645 -18.981 -6.712 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -15.350 -16.826 -6.227 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -14.874 -18.255 -5.442 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -13.991 -17.684 -6.775 1.00 61.33 H new ATOM 1601 N ASN A 104 -17.710 -23.779 -9.587 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.027 -24.098 -9.047 1.00 62.34 C ATOM 1603 C ASN A 104 -20.123 -23.753 -10.050 1.00 50.33 C ATOM 1604 O ASN A 104 -21.253 -23.447 -9.670 1.00 40.20 O ATOM 1605 CB ASN A 104 -19.261 -23.341 -7.738 1.00 11.23 C ATOM 1606 CG ASN A 104 -20.489 -23.835 -6.997 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.025 -24.900 -7.302 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -20.940 -23.061 -6.018 1.00 61.13 N ATOM 0 H ASN A 104 -17.044 -24.551 -9.559 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.063 -25.170 -8.850 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -18.386 -23.449 -7.098 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -19.371 -22.278 -7.951 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -21.763 -23.341 -5.484 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -20.464 -22.186 -5.799 1.00 61.13 H new ATOM 1615 N GLY A 105 -19.783 -23.807 -11.334 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.749 -23.499 -12.372 1.00 3.40 C ATOM 1617 C GLY A 105 -21.014 -22.012 -12.496 1.00 72.24 C ATOM 1618 O GLY A 105 -22.096 -21.598 -12.910 1.00 44.34 O ATOM 0 H GLY A 105 -18.855 -24.059 -11.674 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.386 -23.881 -13.326 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.685 -24.015 -12.157 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.022 -21.204 -12.133 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.153 -19.754 -12.204 1.00 23.53 C ATOM 1624 C LYS A 106 -18.903 -19.125 -12.812 1.00 52.51 C ATOM 1625 O LYS A 106 -17.795 -19.636 -12.649 1.00 15.21 O ATOM 1626 CB LYS A 106 -20.400 -19.174 -10.810 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.600 -19.780 -10.103 1.00 13.01 C ATOM 1628 CD LYS A 106 -21.455 -19.704 -8.592 1.00 34.42 C ATOM 1629 CE LYS A 106 -22.807 -19.569 -7.909 1.00 12.25 C ATOM 1630 NZ LYS A 106 -23.713 -20.703 -8.242 1.00 53.44 N ATOM 0 H LYS A 106 -19.119 -21.530 -11.787 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.005 -19.522 -12.843 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -19.511 -19.330 -10.198 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -20.544 -18.097 -10.894 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -22.506 -19.257 -10.409 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -21.715 -20.821 -10.406 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -20.950 -20.599 -8.228 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -20.826 -18.854 -8.328 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -22.665 -19.523 -6.829 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -23.274 -18.631 -8.210 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -24.570 -20.647 -7.655 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -23.978 -20.652 -9.246 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -23.225 -21.603 -8.057 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.089 -18.013 -13.514 1.00 5.15 N ATOM 1645 CA LYS A 107 -17.977 -17.312 -14.146 1.00 22.41 C ATOM 1646 C LYS A 107 -17.525 -16.129 -13.295 1.00 2.12 C ATOM 1647 O LYS A 107 -18.350 -15.371 -12.780 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.379 -16.826 -15.540 1.00 42.32 C ATOM 1649 CG LYS A 107 -19.304 -15.621 -15.522 1.00 53.43 C ATOM 1650 CD LYS A 107 -19.638 -15.154 -16.929 1.00 74.10 C ATOM 1651 CE LYS A 107 -20.134 -13.715 -16.934 1.00 71.11 C ATOM 1652 NZ LYS A 107 -21.470 -13.587 -16.289 1.00 25.43 N ATOM 0 H LYS A 107 -20.000 -17.577 -13.660 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.145 -18.011 -14.237 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -17.479 -16.574 -16.101 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -18.869 -17.641 -16.072 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -20.223 -15.875 -14.994 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -18.833 -14.808 -14.970 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -18.754 -15.238 -17.561 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -20.400 -15.804 -17.359 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -19.417 -13.082 -16.412 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -20.190 -13.354 -17.961 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -21.773 -12.592 -16.312 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -22.161 -14.171 -16.802 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -21.411 -13.908 -15.301 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.214 -15.975 -13.152 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.653 -14.882 -12.364 1.00 31.31 C ATOM 1668 C LEU A 108 -15.051 -13.812 -13.269 1.00 60.45 C ATOM 1669 O LEU A 108 -15.220 -12.616 -13.030 1.00 22.20 O ATOM 1670 CB LEU A 108 -14.586 -15.414 -11.406 1.00 53.53 C ATOM 1671 CG LEU A 108 -15.029 -16.537 -10.466 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -14.727 -17.895 -11.078 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -14.350 -16.397 -9.111 1.00 44.43 C ATOM 0 H LEU A 108 -15.519 -16.593 -13.571 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.460 -14.432 -11.786 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -13.742 -15.772 -11.996 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.222 -14.583 -10.801 1.00 53.53 H new ATOM 0 HG LEU A 108 -16.106 -16.459 -10.320 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -15.049 -18.681 -10.395 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -15.260 -17.995 -12.024 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -13.655 -17.984 -11.255 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -14.677 -17.204 -8.455 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -13.269 -16.448 -9.239 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -14.618 -15.438 -8.667 1.00 44.43 H new ATOM 1685 N SER A 109 -14.350 -14.250 -14.311 1.00 64.12 N ATOM 1686 CA SER A 109 -13.722 -13.329 -15.251 1.00 55.15 C ATOM 1687 C SER A 109 -13.281 -14.061 -16.515 1.00 41.05 C ATOM 1688 O SER A 109 -13.328 -15.289 -16.582 1.00 33.13 O ATOM 1689 CB SER A 109 -12.520 -12.643 -14.600 1.00 52.45 C ATOM 1690 OG SER A 109 -12.803 -11.285 -14.312 1.00 54.05 O ATOM 0 H SER A 109 -14.203 -15.236 -14.525 1.00 64.12 H new ATOM 0 HA SER A 109 -14.457 -12.573 -15.527 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.253 -13.165 -13.681 1.00 52.45 H new ATOM 0 HB3 SER A 109 -11.658 -12.705 -15.264 1.00 52.45 H new ATOM 0 HG SER A 109 -11.963 -10.793 -14.196 1.00 54.05 H new ATOM 1696 N GLN A 110 -12.854 -13.297 -17.514 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.405 -13.872 -18.777 1.00 42.33 C ATOM 1698 C GLN A 110 -11.200 -13.113 -19.323 1.00 70.12 C ATOM 1699 O GLN A 110 -11.327 -11.987 -19.804 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.541 -13.853 -19.802 1.00 72.44 C ATOM 1701 CG GLN A 110 -14.296 -12.536 -19.850 1.00 35.44 C ATOM 1702 CD GLN A 110 -14.895 -12.256 -21.214 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.139 -13.173 -21.998 1.00 14.10 O ATOM 1704 NE2 GLN A 110 -15.137 -10.983 -21.505 1.00 21.42 N ATOM 0 H GLN A 110 -12.809 -12.279 -17.474 1.00 73.42 H new ATOM 0 HA GLN A 110 -12.108 -14.904 -18.592 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -13.131 -14.063 -20.790 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -14.241 -14.655 -19.570 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -15.091 -12.550 -19.104 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -13.620 -11.724 -19.581 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -14.919 -10.254 -20.825 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -15.541 -10.734 -22.408 1.00 21.42 H new ATOM 1713 N VAL A 111 -10.029 -13.737 -19.245 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.800 -13.122 -19.732 1.00 4.43 C ATOM 1715 C VAL A 111 -8.592 -13.408 -21.214 1.00 3.33 C ATOM 1716 O VAL A 111 -8.876 -14.507 -21.691 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.573 -13.621 -18.947 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.299 -12.991 -19.489 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.733 -13.327 -17.464 1.00 22.25 C ATOM 0 H VAL A 111 -9.906 -14.669 -18.849 1.00 61.10 H new ATOM 0 HA VAL A 111 -8.904 -12.047 -19.584 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.498 -14.701 -19.074 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.443 -13.356 -18.922 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -6.179 -13.258 -20.539 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.361 -11.907 -19.395 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -6.856 -13.687 -16.925 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -7.835 -12.252 -17.315 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.623 -13.831 -17.087 1.00 22.25 H new ATOM 1729 N ILE A 112 -8.096 -12.411 -21.940 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.849 -12.556 -23.369 1.00 13.53 C ATOM 1731 C ILE A 112 -6.513 -11.935 -23.762 1.00 35.44 C ATOM 1732 O ILE A 112 -6.372 -10.713 -23.802 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.969 -11.907 -24.203 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -10.340 -12.339 -23.679 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.816 -12.274 -25.672 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.497 -11.704 -24.420 1.00 11.41 C ATOM 0 H ILE A 112 -7.857 -11.494 -21.562 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.825 -13.626 -23.578 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.891 -10.824 -24.110 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -10.423 -13.423 -23.753 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.413 -12.085 -22.622 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.615 -11.808 -26.249 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.852 -11.921 -26.037 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.872 -13.357 -25.784 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.438 -12.055 -23.996 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.439 -10.620 -24.325 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -11.449 -11.979 -25.474 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.533 -12.785 -24.053 1.00 53.21 N ATOM 1749 CA GLY A 113 -4.221 -12.301 -24.441 1.00 14.23 C ATOM 1750 C GLY A 113 -3.159 -12.611 -23.404 1.00 44.34 C ATOM 1751 O GLY A 113 -3.293 -13.561 -22.632 1.00 21.13 O ATOM 0 H GLY A 113 -5.624 -13.801 -24.027 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.938 -12.751 -25.392 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -4.267 -11.223 -24.599 1.00 14.23 H new ATOM 1755 N ALA A 114 -2.100 -11.808 -23.387 1.00 2.12 N ATOM 1756 CA ALA A 114 -1.010 -12.002 -22.437 1.00 50.23 C ATOM 1757 C ALA A 114 -0.714 -10.716 -21.673 1.00 73.31 C ATOM 1758 O ALA A 114 -0.080 -9.801 -22.199 1.00 1.34 O ATOM 1759 CB ALA A 114 0.237 -12.489 -23.158 1.00 34.24 C ATOM 0 H ALA A 114 -1.973 -11.018 -24.019 1.00 2.12 H new ATOM 0 HA ALA A 114 -1.318 -12.759 -21.716 1.00 50.23 H new ATOM 0 HB1 ALA A 114 1.042 -12.630 -22.437 1.00 34.24 H new ATOM 0 HB2 ALA A 114 0.024 -13.436 -23.654 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.540 -11.751 -23.901 1.00 34.24 H new ATOM 1765 N ASP A 115 -1.178 -10.652 -20.429 1.00 11.22 N ATOM 1766 CA ASP A 115 -0.962 -9.477 -19.592 1.00 33.14 C ATOM 1767 C ASP A 115 -0.939 -9.859 -18.116 1.00 50.50 C ATOM 1768 O ASP A 115 -1.986 -10.082 -17.506 1.00 41.34 O ATOM 1769 CB ASP A 115 -2.053 -8.436 -19.846 1.00 73.33 C ATOM 1770 CG ASP A 115 -1.801 -7.140 -19.101 1.00 45.55 C ATOM 1771 OD1 ASP A 115 -0.792 -7.063 -18.369 1.00 15.43 O ATOM 1772 OD2 ASP A 115 -2.612 -6.203 -19.252 1.00 51.32 O ATOM 0 H ASP A 115 -1.706 -11.400 -19.978 1.00 11.22 H new ATOM 0 HA ASP A 115 0.006 -9.048 -19.853 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -2.114 -8.231 -20.915 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -3.018 -8.844 -19.544 1.00 73.33 H new ATOM 1777 N ILE A 116 0.260 -9.934 -17.548 1.00 43.41 N ATOM 1778 CA ILE A 116 0.418 -10.290 -16.143 1.00 44.52 C ATOM 1779 C ILE A 116 -0.341 -9.322 -15.243 1.00 11.00 C ATOM 1780 O ILE A 116 -0.993 -9.732 -14.283 1.00 0.15 O ATOM 1781 CB ILE A 116 1.902 -10.302 -15.730 1.00 1.13 C ATOM 1782 CG1 ILE A 116 2.037 -10.633 -14.241 1.00 20.02 C ATOM 1783 CG2 ILE A 116 2.549 -8.962 -16.041 1.00 15.41 C ATOM 1784 CD1 ILE A 116 1.549 -12.019 -13.885 1.00 45.32 C ATOM 0 H ILE A 116 1.136 -9.753 -18.039 1.00 43.41 H new ATOM 0 HA ILE A 116 0.007 -11.292 -16.022 1.00 44.52 H new ATOM 0 HB ILE A 116 2.417 -11.073 -16.303 1.00 1.13 H new ATOM 0 HG12 ILE A 116 3.083 -10.539 -13.949 1.00 20.02 H new ATOM 0 HG13 ILE A 116 1.477 -9.899 -13.661 1.00 20.02 H new ATOM 0 HG21 ILE A 116 3.597 -8.986 -15.743 1.00 15.41 H new ATOM 0 HG22 ILE A 116 2.480 -8.764 -17.111 1.00 15.41 H new ATOM 0 HG23 ILE A 116 2.034 -8.173 -15.492 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.675 -12.185 -12.815 1.00 45.32 H new ATOM 0 HD12 ILE A 116 0.495 -12.112 -14.145 1.00 45.32 H new ATOM 0 HD13 ILE A 116 2.126 -12.761 -14.438 1.00 45.32 H new ATOM 1796 N SER A 117 -0.252 -8.034 -15.559 1.00 21.43 N ATOM 1797 CA SER A 117 -0.929 -7.006 -14.778 1.00 43.32 C ATOM 1798 C SER A 117 -2.444 -7.170 -14.860 1.00 21.20 C ATOM 1799 O SER A 117 -3.182 -6.664 -14.015 1.00 13.41 O ATOM 1800 CB SER A 117 -0.529 -5.614 -15.271 1.00 12.44 C ATOM 1801 OG SER A 117 -1.349 -5.200 -16.349 1.00 62.05 O ATOM 0 H SER A 117 0.283 -7.678 -16.351 1.00 21.43 H new ATOM 0 HA SER A 117 -0.624 -7.117 -13.737 1.00 43.32 H new ATOM 0 HB2 SER A 117 -0.609 -4.898 -14.453 1.00 12.44 H new ATOM 0 HB3 SER A 117 0.514 -5.622 -15.586 1.00 12.44 H new ATOM 0 HG SER A 117 -1.147 -5.742 -17.140 1.00 62.05 H new ATOM 1807 N LYS A 118 -2.901 -7.883 -15.884 1.00 15.20 N ATOM 1808 CA LYS A 118 -4.327 -8.117 -16.079 1.00 45.15 C ATOM 1809 C LYS A 118 -4.795 -9.324 -15.272 1.00 64.05 C ATOM 1810 O LYS A 118 -5.692 -9.213 -14.436 1.00 21.20 O ATOM 1811 CB LYS A 118 -4.631 -8.332 -17.563 1.00 45.12 C ATOM 1812 CG LYS A 118 -6.098 -8.154 -17.915 1.00 72.13 C ATOM 1813 CD LYS A 118 -6.909 -9.389 -17.563 1.00 21.24 C ATOM 1814 CE LYS A 118 -8.213 -9.442 -18.346 1.00 12.53 C ATOM 1815 NZ LYS A 118 -8.982 -8.172 -18.230 1.00 64.22 N ATOM 0 H LYS A 118 -2.304 -8.309 -16.592 1.00 15.20 H new ATOM 0 HA LYS A 118 -4.866 -7.237 -15.728 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -4.037 -7.633 -18.152 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -4.317 -9.336 -17.848 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -6.499 -7.291 -17.383 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -6.195 -7.945 -18.980 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -6.321 -10.283 -17.772 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -7.125 -9.392 -16.495 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -7.998 -9.642 -19.396 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -8.822 -10.270 -17.982 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -9.920 -8.294 -18.661 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -9.092 -7.923 -17.226 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -8.471 -7.411 -18.721 1.00 64.22 H new ATOM 1829 N ILE A 119 -4.181 -10.475 -15.528 1.00 65.15 N ATOM 1830 CA ILE A 119 -4.534 -11.701 -14.824 1.00 50.12 C ATOM 1831 C ILE A 119 -4.459 -11.508 -13.313 1.00 70.05 C ATOM 1832 O ILE A 119 -5.236 -12.098 -12.563 1.00 1.10 O ATOM 1833 CB ILE A 119 -3.613 -12.867 -15.228 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -2.215 -12.669 -14.639 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -3.543 -12.987 -16.744 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -2.001 -13.397 -13.331 1.00 60.34 C ATOM 0 H ILE A 119 -3.437 -10.583 -16.217 1.00 65.15 H new ATOM 0 HA ILE A 119 -5.558 -11.944 -15.106 1.00 50.12 H new ATOM 0 HB ILE A 119 -4.027 -13.793 -14.829 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -1.474 -13.011 -15.361 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -2.042 -11.604 -14.485 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -2.888 -13.816 -17.014 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -4.542 -13.170 -17.141 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -3.149 -12.062 -17.164 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -0.989 -13.211 -12.973 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -2.719 -13.038 -12.593 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -2.141 -14.467 -13.483 1.00 60.34 H new ATOM 1848 N ILE A 120 -3.518 -10.679 -12.875 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.344 -10.406 -11.453 1.00 1.51 C ATOM 1850 C ILE A 120 -4.442 -9.485 -10.931 1.00 62.35 C ATOM 1851 O ILE A 120 -4.873 -9.604 -9.784 1.00 43.52 O ATOM 1852 CB ILE A 120 -1.974 -9.765 -11.167 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -1.850 -8.426 -11.896 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -0.852 -10.705 -11.582 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -2.257 -7.238 -11.053 1.00 14.01 C ATOM 0 H ILE A 120 -2.865 -10.185 -13.483 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.402 -11.365 -10.938 1.00 1.51 H new ATOM 0 HB ILE A 120 -1.892 -9.583 -10.095 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -0.818 -8.293 -12.222 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -2.467 -8.452 -12.794 1.00 1.40 H new ATOM 0 HG21 ILE A 120 0.110 -10.237 -11.373 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -0.932 -11.637 -11.022 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -0.929 -10.915 -12.649 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -2.143 -6.323 -11.635 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -3.298 -7.347 -10.749 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -1.624 -7.186 -10.168 1.00 14.01 H new ATOM 1867 N SER A 121 -4.892 -8.568 -11.781 1.00 0.12 N ATOM 1868 CA SER A 121 -5.939 -7.625 -11.406 1.00 73.21 C ATOM 1869 C SER A 121 -7.285 -8.333 -11.270 1.00 61.43 C ATOM 1870 O SER A 121 -8.093 -7.990 -10.407 1.00 43.23 O ATOM 1871 CB SER A 121 -6.042 -6.506 -12.443 1.00 52.11 C ATOM 1872 OG SER A 121 -7.364 -6.000 -12.518 1.00 1.41 O ATOM 0 H SER A 121 -4.548 -8.458 -12.735 1.00 0.12 H new ATOM 0 HA SER A 121 -5.676 -7.193 -10.441 1.00 73.21 H new ATOM 0 HB2 SER A 121 -5.355 -5.701 -12.183 1.00 52.11 H new ATOM 0 HB3 SER A 121 -5.737 -6.882 -13.420 1.00 52.11 H new ATOM 0 HG SER A 121 -7.403 -5.285 -13.187 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.515 -9.323 -12.128 1.00 41.41 N ATOM 1879 CA GLU A 122 -8.762 -10.079 -12.103 1.00 61.12 C ATOM 1880 C GLU A 122 -8.761 -11.094 -10.965 1.00 33.11 C ATOM 1881 O GLU A 122 -9.684 -11.132 -10.152 1.00 50.32 O ATOM 1882 CB GLU A 122 -8.976 -10.792 -13.439 1.00 22.41 C ATOM 1883 CG GLU A 122 -9.007 -9.854 -14.633 1.00 53.03 C ATOM 1884 CD GLU A 122 -10.111 -8.820 -14.536 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -11.076 -9.051 -13.777 1.00 35.23 O ATOM 1886 OE2 GLU A 122 -10.010 -7.778 -15.216 1.00 60.42 O ATOM 0 H GLU A 122 -6.855 -9.619 -12.847 1.00 41.41 H new ATOM 0 HA GLU A 122 -9.580 -9.378 -11.938 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -8.180 -11.523 -13.583 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -9.914 -11.346 -13.399 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -8.046 -9.347 -14.716 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -9.140 -10.437 -15.544 1.00 53.03 H new ATOM 1893 N ILE A 123 -7.718 -11.916 -10.915 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.595 -12.933 -9.876 1.00 54.04 C ATOM 1895 C ILE A 123 -7.756 -12.321 -8.488 1.00 62.52 C ATOM 1896 O ILE A 123 -8.609 -12.742 -7.709 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.238 -13.655 -9.953 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.146 -14.478 -11.240 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -6.042 -14.545 -8.735 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -4.730 -14.857 -11.615 1.00 24.43 C ATOM 0 H ILE A 123 -6.946 -11.898 -11.581 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.392 -13.657 -10.046 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.445 -12.907 -9.964 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -6.738 -15.386 -11.124 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -6.590 -13.910 -12.057 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.078 -15.049 -8.804 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -6.069 -13.936 -7.831 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -6.838 -15.289 -8.696 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -4.741 -15.439 -12.537 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.139 -13.953 -11.763 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.289 -15.452 -10.816 1.00 24.43 H new ATOM 1912 N ASN A 124 -6.928 -11.326 -8.188 1.00 75.21 N ATOM 1913 CA ASN A 124 -6.979 -10.655 -6.893 1.00 73.45 C ATOM 1914 C ASN A 124 -8.348 -10.024 -6.660 1.00 64.11 C ATOM 1915 O ASN A 124 -8.733 -9.754 -5.523 1.00 42.22 O ATOM 1916 CB ASN A 124 -5.890 -9.584 -6.807 1.00 11.21 C ATOM 1917 CG ASN A 124 -4.535 -10.164 -6.451 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -4.173 -10.247 -5.277 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -3.779 -10.566 -7.465 1.00 11.02 N ATOM 0 H ASN A 124 -6.215 -10.966 -8.822 1.00 75.21 H new ATOM 0 HA ASN A 124 -6.807 -11.402 -6.118 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -5.820 -9.064 -7.762 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -6.172 -8.842 -6.060 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -2.856 -10.963 -7.287 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -4.121 -10.478 -8.422 1.00 11.02 H new ATOM 1926 N ASN A 125 -9.080 -9.793 -7.746 1.00 51.03 N ATOM 1927 CA ASN A 125 -10.407 -9.195 -7.660 1.00 1.33 C ATOM 1928 C ASN A 125 -11.428 -10.206 -7.146 1.00 30.23 C ATOM 1929 O ASN A 125 -12.408 -9.840 -6.499 1.00 34.25 O ATOM 1930 CB ASN A 125 -10.840 -8.665 -9.028 1.00 2.44 C ATOM 1931 CG ASN A 125 -11.035 -7.162 -9.032 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -11.752 -6.616 -8.193 1.00 75.13 O ATOM 1933 ND2 ASN A 125 -10.397 -6.484 -9.979 1.00 2.34 N ATOM 0 H ASN A 125 -8.776 -10.011 -8.695 1.00 51.03 H new ATOM 0 HA ASN A 125 -10.359 -8.365 -6.955 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -10.090 -8.933 -9.772 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -11.770 -9.150 -9.324 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -10.491 -5.470 -10.031 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -9.813 -6.978 -10.654 1.00 2.34 H new ATOM 1940 N ASN A 126 -11.190 -11.480 -7.441 1.00 22.12 N ATOM 1941 CA ASN A 126 -12.089 -12.544 -7.009 1.00 5.34 C ATOM 1942 C ASN A 126 -11.539 -13.253 -5.776 1.00 72.44 C ATOM 1943 O ASN A 126 -12.278 -13.916 -5.047 1.00 24.00 O ATOM 1944 CB ASN A 126 -12.299 -13.553 -8.140 1.00 64.41 C ATOM 1945 CG ASN A 126 -12.538 -12.879 -9.478 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -13.519 -12.158 -9.655 1.00 60.44 O ATOM 1947 ND2 ASN A 126 -11.639 -13.114 -10.427 1.00 44.34 N ATOM 0 H ASN A 126 -10.383 -11.800 -7.977 1.00 22.12 H new ATOM 0 HA ASN A 126 -13.047 -12.094 -6.750 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -11.425 -14.200 -8.213 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -13.149 -14.192 -7.901 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -11.747 -12.689 -11.348 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -10.841 -13.719 -10.235 1.00 44.34 H new ATOM 1954 N ILE A 127 -10.237 -13.110 -5.548 1.00 64.21 N ATOM 1955 CA ILE A 127 -9.589 -13.735 -4.403 1.00 53.31 C ATOM 1956 C ILE A 127 -10.055 -13.104 -3.095 1.00 13.41 C ATOM 1957 O ILE A 127 -10.237 -11.890 -3.010 1.00 22.03 O ATOM 1958 CB ILE A 127 -8.056 -13.626 -4.494 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.491 -14.762 -5.351 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -7.439 -13.646 -3.104 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -5.985 -14.725 -5.486 1.00 51.21 C ATOM 0 H ILE A 127 -9.611 -12.566 -6.142 1.00 64.21 H new ATOM 0 HA ILE A 127 -9.872 -14.788 -4.417 1.00 53.31 H new ATOM 0 HB ILE A 127 -7.802 -12.678 -4.968 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -7.785 -15.716 -4.915 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -7.938 -14.714 -6.344 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -6.355 -13.568 -3.186 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -7.820 -12.805 -2.524 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -7.699 -14.579 -2.604 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -5.655 -15.559 -6.106 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -5.684 -13.786 -5.951 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.529 -14.804 -4.499 1.00 51.21 H new ATOM 1973 N ASN A 128 -10.245 -13.937 -2.077 1.00 2.43 N ATOM 1974 CA ASN A 128 -10.687 -13.460 -0.772 1.00 53.34 C ATOM 1975 C ASN A 128 -9.824 -12.297 -0.295 1.00 63.41 C ATOM 1976 O ASN A 128 -10.322 -11.194 -0.070 1.00 72.01 O ATOM 1977 CB ASN A 128 -10.641 -14.597 0.252 1.00 3.42 C ATOM 1978 CG ASN A 128 -9.237 -14.860 0.761 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -8.952 -14.689 1.946 1.00 54.30 O ATOM 1980 ND2 ASN A 128 -8.352 -15.279 -0.137 1.00 25.45 N ATOM 0 H ASN A 128 -10.100 -14.945 -2.131 1.00 2.43 H new ATOM 0 HA ASN A 128 -11.714 -13.109 -0.871 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -11.289 -14.351 1.093 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -11.037 -15.506 -0.201 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -7.391 -15.473 0.146 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -8.633 -15.407 -1.109 1.00 25.45 H new