USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=17 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 41 ASN :FLIP amide:sc= -0.0621 F(o=-1,f=-0.062) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.848 K(o=-0.85,f=-3.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.576 (180deg=-1.77!) 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 118:sc= -3.51! USER MOD Single : A 39 ASN : amide:sc= -0.0783 K(o=-0.078,f=-3.3!) USER MOD Single : A 62 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.3!) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0125) USER MOD Single : A 68 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0777 K(o=-0.078,f=-1.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.0823 X(o=0.082,f=0.19) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.0796 (180deg=-0.428) USER MOD Single : A 98 THR OG1 : rot 28:sc= 0.302 USER MOD Single : A 101 MET CE :methyl 152:sc= -4.71! (180deg=-6.93!) USER MOD Single : A 104 ASN : amide:sc= -0.486 K(o=-0.49,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -146:sc= 0.921 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9) USER MOD Single : A 125 ASN : amide:sc= -0.665 K(o=-0.66,f=-2.4!) USER MOD Single : A 126 ASN : amide:sc= -0.806 X(o=-0.81,f=-1) USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 0.057 -27.613 -15.304 1.00 52.50 N ATOM 317 CA ILE A 23 -1.273 -27.539 -15.894 1.00 71.21 C ATOM 318 C ILE A 23 -1.634 -28.841 -16.602 1.00 10.42 C ATOM 319 O ILE A 23 -0.897 -29.312 -17.468 1.00 53.52 O ATOM 320 CB ILE A 23 -1.381 -26.376 -16.897 1.00 41.35 C ATOM 321 CG1 ILE A 23 -0.971 -25.060 -16.231 1.00 13.10 C ATOM 322 CG2 ILE A 23 -2.797 -26.279 -17.445 1.00 73.31 C ATOM 323 CD1 ILE A 23 -0.958 -23.882 -17.179 1.00 74.23 C ATOM 0 HA ILE A 23 -1.971 -27.367 -15.075 1.00 71.21 H new ATOM 0 HB ILE A 23 -0.703 -26.568 -17.728 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -1.657 -24.848 -15.411 1.00 13.10 H new ATOM 0 HG13 ILE A 23 0.021 -25.176 -15.795 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -2.857 -25.452 -18.153 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -3.056 -27.209 -17.951 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.494 -26.106 -16.625 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -0.659 -22.984 -16.639 1.00 74.23 H new ATOM 0 HD12 ILE A 23 -0.251 -24.073 -17.986 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -1.955 -23.739 -17.596 1.00 74.23 H new ATOM 335 N GLU A 24 -2.772 -29.417 -16.228 1.00 71.32 N ATOM 336 CA GLU A 24 -3.229 -30.664 -16.828 1.00 63.12 C ATOM 337 C GLU A 24 -4.365 -30.408 -17.816 1.00 45.22 C ATOM 338 O GLU A 24 -5.154 -29.481 -17.642 1.00 40.33 O ATOM 339 CB GLU A 24 -3.693 -31.639 -15.744 1.00 43.20 C ATOM 340 CG GLU A 24 -4.767 -32.606 -16.212 1.00 24.25 C ATOM 341 CD GLU A 24 -4.247 -33.612 -17.221 1.00 12.10 C ATOM 342 OE1 GLU A 24 -3.079 -33.479 -17.643 1.00 52.34 O ATOM 343 OE2 GLU A 24 -5.008 -34.531 -17.589 1.00 51.31 O ATOM 0 H GLU A 24 -3.394 -29.040 -15.513 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.391 -31.105 -17.368 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -2.834 -32.208 -15.388 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -4.073 -31.071 -14.895 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -5.173 -33.137 -15.351 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -5.589 -32.044 -16.656 1.00 24.25 H new ATOM 350 N GLN A 25 -4.438 -31.238 -18.852 1.00 72.41 N ATOM 351 CA GLN A 25 -5.475 -31.100 -19.868 1.00 70.32 C ATOM 352 C GLN A 25 -6.773 -31.761 -19.413 1.00 34.23 C ATOM 353 O GLN A 25 -6.762 -32.870 -18.879 1.00 3.23 O ATOM 354 CB GLN A 25 -5.010 -31.716 -21.188 1.00 62.23 C ATOM 355 CG GLN A 25 -4.540 -33.156 -21.055 1.00 24.51 C ATOM 356 CD GLN A 25 -3.039 -33.265 -20.868 1.00 33.21 C ATOM 357 OE1 GLN A 25 -2.355 -32.265 -20.649 1.00 64.03 O ATOM 358 NE2 GLN A 25 -2.519 -34.483 -20.953 1.00 41.21 N ATOM 0 H GLN A 25 -3.792 -32.012 -19.010 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.663 -30.037 -20.018 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -5.828 -31.675 -21.907 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -4.198 -31.113 -21.594 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -5.043 -33.621 -20.207 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -4.833 -33.714 -21.945 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -3.123 -35.284 -21.136 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -1.515 -34.618 -20.835 1.00 41.21 H new ATOM 367 N ILE A 26 -7.888 -31.072 -19.629 1.00 31.52 N ATOM 368 CA ILE A 26 -9.193 -31.592 -19.242 1.00 43.51 C ATOM 369 C ILE A 26 -10.039 -31.921 -20.467 1.00 72.10 C ATOM 370 O ILE A 26 -9.675 -31.587 -21.594 1.00 74.50 O ATOM 371 CB ILE A 26 -9.960 -30.590 -18.358 1.00 53.31 C ATOM 372 CG1 ILE A 26 -10.148 -29.264 -19.097 1.00 70.00 C ATOM 373 CG2 ILE A 26 -9.222 -30.371 -17.045 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.598 -28.872 -19.274 1.00 44.33 C ATOM 0 H ILE A 26 -7.914 -30.153 -20.070 1.00 31.52 H new ATOM 0 HA ILE A 26 -9.012 -32.503 -18.672 1.00 43.51 H new ATOM 0 HB ILE A 26 -10.944 -31.003 -18.136 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -9.631 -28.476 -18.550 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.676 -29.333 -20.077 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -9.775 -29.661 -16.431 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -9.135 -31.319 -16.514 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -8.227 -29.976 -17.249 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.656 -27.922 -19.806 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -12.115 -29.641 -19.848 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.069 -28.770 -18.296 1.00 44.33 H new ATOM 386 N GLY A 27 -11.172 -32.578 -20.240 1.00 34.03 N ATOM 387 CA GLY A 27 -12.053 -32.940 -21.333 1.00 51.40 C ATOM 388 C GLY A 27 -13.349 -32.152 -21.320 1.00 43.34 C ATOM 389 O GLY A 27 -13.811 -31.723 -20.264 1.00 62.43 O ATOM 0 H GLY A 27 -11.495 -32.866 -19.317 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -11.539 -32.773 -22.280 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.278 -34.005 -21.276 1.00 51.40 H new ATOM 393 N ASP A 28 -13.935 -31.960 -22.497 1.00 72.03 N ATOM 394 CA ASP A 28 -15.183 -31.217 -22.618 1.00 72.25 C ATOM 395 C ASP A 28 -16.234 -31.762 -21.654 1.00 30.43 C ATOM 396 O ASP A 28 -16.999 -31.002 -21.060 1.00 45.30 O ATOM 397 CB ASP A 28 -15.706 -31.285 -24.054 1.00 20.12 C ATOM 398 CG ASP A 28 -15.563 -32.669 -24.657 1.00 62.32 C ATOM 399 OD1 ASP A 28 -14.425 -33.050 -25.005 1.00 61.43 O ATOM 400 OD2 ASP A 28 -16.588 -33.370 -24.780 1.00 15.13 O ATOM 0 H ASP A 28 -13.565 -32.309 -23.381 1.00 72.03 H new ATOM 0 HA ASP A 28 -14.984 -30.176 -22.362 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -16.756 -30.992 -24.070 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -15.165 -30.566 -24.669 1.00 20.12 H new ATOM 405 N SER A 29 -16.267 -33.083 -21.507 1.00 34.14 N ATOM 406 CA SER A 29 -17.226 -33.730 -20.619 1.00 40.21 C ATOM 407 C SER A 29 -16.755 -33.665 -19.170 1.00 24.42 C ATOM 408 O SER A 29 -17.560 -33.734 -18.242 1.00 3.01 O ATOM 409 CB SER A 29 -17.435 -35.186 -21.036 1.00 63.34 C ATOM 410 OG SER A 29 -18.300 -35.855 -20.134 1.00 42.24 O ATOM 0 H SER A 29 -15.641 -33.726 -21.991 1.00 34.14 H new ATOM 0 HA SER A 29 -18.174 -33.198 -20.697 1.00 40.21 H new ATOM 0 HB2 SER A 29 -17.854 -35.223 -22.042 1.00 63.34 H new ATOM 0 HB3 SER A 29 -16.474 -35.699 -21.072 1.00 63.34 H new ATOM 0 HG SER A 29 -18.419 -36.784 -20.423 1.00 42.24 H new ATOM 416 N GLU A 30 -15.446 -33.532 -18.985 1.00 3.41 N ATOM 417 CA GLU A 30 -14.867 -33.459 -17.649 1.00 21.44 C ATOM 418 C GLU A 30 -14.904 -32.029 -17.118 1.00 70.14 C ATOM 419 O GLU A 30 -14.662 -31.788 -15.935 1.00 61.05 O ATOM 420 CB GLU A 30 -13.426 -33.972 -17.664 1.00 71.22 C ATOM 421 CG GLU A 30 -13.200 -35.123 -18.630 1.00 52.14 C ATOM 422 CD GLU A 30 -14.278 -36.185 -18.536 1.00 63.22 C ATOM 423 OE1 GLU A 30 -14.846 -36.359 -17.437 1.00 33.44 O ATOM 424 OE2 GLU A 30 -14.555 -36.842 -19.561 1.00 62.15 O ATOM 0 H GLU A 30 -14.766 -33.473 -19.743 1.00 3.41 H new ATOM 0 HA GLU A 30 -15.462 -34.090 -16.988 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -12.760 -33.151 -17.928 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -13.153 -34.293 -16.659 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.165 -34.736 -19.648 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -12.230 -35.577 -18.428 1.00 52.14 H new ATOM 431 N PHE A 31 -15.205 -31.083 -18.001 1.00 51.15 N ATOM 432 CA PHE A 31 -15.271 -29.676 -17.622 1.00 15.33 C ATOM 433 C PHE A 31 -16.047 -29.499 -16.320 1.00 52.25 C ATOM 434 O PHE A 31 -15.467 -29.203 -15.275 1.00 53.02 O ATOM 435 CB PHE A 31 -15.928 -28.857 -18.735 1.00 75.15 C ATOM 436 CG PHE A 31 -16.266 -27.452 -18.326 1.00 65.24 C ATOM 437 CD1 PHE A 31 -15.269 -26.503 -18.174 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.580 -27.081 -18.094 1.00 72.53 C ATOM 439 CE1 PHE A 31 -15.577 -25.209 -17.797 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.895 -25.788 -17.717 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.892 -24.851 -17.569 1.00 13.43 C ATOM 0 H PHE A 31 -15.407 -31.265 -18.984 1.00 51.15 H new ATOM 0 HA PHE A 31 -14.253 -29.319 -17.469 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -15.259 -28.826 -19.595 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -16.839 -29.362 -19.058 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -14.240 -26.777 -18.352 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.368 -27.810 -18.209 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.790 -24.478 -17.681 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.924 -25.512 -17.539 1.00 51.23 H new ATOM 0 HZ PHE A 31 -17.135 -23.840 -17.276 1.00 13.43 H new ATOM 451 N ASP A 32 -17.361 -29.683 -16.391 1.00 14.24 N ATOM 452 CA ASP A 32 -18.216 -29.545 -15.219 1.00 72.32 C ATOM 453 C ASP A 32 -17.928 -30.645 -14.202 1.00 72.42 C ATOM 454 O ASP A 32 -18.174 -30.480 -13.008 1.00 33.44 O ATOM 455 CB ASP A 32 -19.689 -29.586 -15.629 1.00 63.01 C ATOM 456 CG ASP A 32 -20.008 -30.765 -16.526 1.00 24.01 C ATOM 457 OD1 ASP A 32 -19.868 -30.628 -17.760 1.00 24.23 O ATOM 458 OD2 ASP A 32 -20.396 -31.827 -15.996 1.00 50.53 O ATOM 0 H ASP A 32 -17.857 -29.928 -17.248 1.00 14.24 H new ATOM 0 HA ASP A 32 -18.002 -28.582 -14.755 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.311 -29.635 -14.735 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -19.945 -28.661 -16.145 1.00 63.01 H new ATOM 463 N ASN A 33 -17.405 -31.767 -14.685 1.00 0.41 N ATOM 464 CA ASN A 33 -17.083 -32.895 -13.818 1.00 71.43 C ATOM 465 C ASN A 33 -16.136 -32.470 -12.700 1.00 5.31 C ATOM 466 O ASN A 33 -16.201 -32.987 -11.585 1.00 42.22 O ATOM 467 CB ASN A 33 -16.454 -34.027 -14.632 1.00 3.30 C ATOM 468 CG ASN A 33 -16.668 -35.387 -13.994 1.00 61.22 C ATOM 469 OD1 ASN A 33 -15.782 -35.915 -13.322 1.00 43.52 O ATOM 470 ND2 ASN A 33 -17.849 -35.959 -14.201 1.00 2.02 N ATOM 0 H ASN A 33 -17.195 -31.920 -15.671 1.00 0.41 H new ATOM 0 HA ASN A 33 -18.010 -33.251 -13.368 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -16.879 -34.029 -15.636 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -15.385 -33.843 -14.739 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -18.051 -36.873 -13.796 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -18.554 -35.484 -14.765 1.00 2.02 H new ATOM 477 N LYS A 34 -15.255 -31.524 -13.007 1.00 61.14 N ATOM 478 CA LYS A 34 -14.294 -31.027 -12.029 1.00 61.34 C ATOM 479 C LYS A 34 -14.546 -29.554 -11.719 1.00 34.21 C ATOM 480 O LYS A 34 -14.046 -29.024 -10.728 1.00 0.52 O ATOM 481 CB LYS A 34 -12.866 -31.212 -12.547 1.00 4.45 C ATOM 482 CG LYS A 34 -12.634 -30.609 -13.923 1.00 54.12 C ATOM 483 CD LYS A 34 -12.016 -31.617 -14.876 1.00 72.43 C ATOM 484 CE LYS A 34 -10.566 -31.905 -14.521 1.00 73.13 C ATOM 485 NZ LYS A 34 -10.447 -32.987 -13.505 1.00 34.51 N ATOM 0 H LYS A 34 -15.186 -31.086 -13.926 1.00 61.14 H new ATOM 0 HA LYS A 34 -14.418 -31.601 -11.111 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -12.171 -30.760 -11.840 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -12.637 -32.277 -12.583 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.581 -30.255 -14.330 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -11.980 -29.741 -13.836 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -12.589 -32.544 -14.848 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -12.073 -31.237 -15.896 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -10.022 -32.191 -15.421 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.098 -30.997 -14.141 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -9.523 -33.454 -13.602 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -10.530 -32.579 -12.552 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -11.205 -33.684 -13.650 1.00 34.51 H new ATOM 499 N VAL A 35 -15.327 -28.900 -12.573 1.00 34.33 N ATOM 500 CA VAL A 35 -15.648 -27.490 -12.388 1.00 51.44 C ATOM 501 C VAL A 35 -16.891 -27.317 -11.523 1.00 12.33 C ATOM 502 O VAL A 35 -16.861 -26.630 -10.501 1.00 34.24 O ATOM 503 CB VAL A 35 -15.873 -26.784 -13.738 1.00 22.45 C ATOM 504 CG1 VAL A 35 -16.543 -25.433 -13.530 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.557 -26.626 -14.483 1.00 15.43 C ATOM 0 H VAL A 35 -15.749 -29.324 -13.399 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.794 -27.035 -11.886 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.535 -27.402 -14.344 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.694 -24.949 -14.495 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -17.507 -25.576 -13.041 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.909 -24.805 -12.904 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.735 -26.125 -15.435 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.869 -26.031 -13.883 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -14.122 -27.609 -14.666 1.00 15.43 H new ATOM 515 N THR A 36 -17.986 -27.947 -11.938 1.00 23.22 N ATOM 516 CA THR A 36 -19.242 -27.864 -11.202 1.00 25.31 C ATOM 517 C THR A 36 -19.091 -28.424 -9.793 1.00 21.25 C ATOM 518 O THR A 36 -19.883 -28.114 -8.902 1.00 61.41 O ATOM 519 CB THR A 36 -20.369 -28.624 -11.926 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.613 -27.936 -11.754 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.491 -30.045 -11.396 1.00 14.11 C ATOM 0 H THR A 36 -18.028 -28.521 -12.780 1.00 23.22 H new ATOM 0 HA THR A 36 -19.505 -26.808 -11.144 1.00 25.31 H new ATOM 0 HB THR A 36 -20.124 -28.669 -12.987 1.00 24.40 H new ATOM 0 HG1 THR A 36 -22.324 -28.425 -12.219 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.293 -30.562 -11.922 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.552 -30.575 -11.556 1.00 14.11 H new ATOM 0 HG23 THR A 36 -20.715 -30.018 -10.330 1.00 14.11 H new ATOM 529 N SER A 37 -18.068 -29.250 -9.596 1.00 14.22 N ATOM 530 CA SER A 37 -17.815 -29.856 -8.293 1.00 52.32 C ATOM 531 C SER A 37 -16.929 -28.955 -7.438 1.00 53.20 C ATOM 532 O SER A 37 -16.845 -29.124 -6.221 1.00 32.53 O ATOM 533 CB SER A 37 -17.155 -31.226 -8.464 1.00 12.31 C ATOM 534 OG SER A 37 -16.811 -31.786 -7.208 1.00 23.30 O ATOM 0 H SER A 37 -17.401 -29.515 -10.321 1.00 14.22 H new ATOM 0 HA SER A 37 -18.772 -29.982 -7.786 1.00 52.32 H new ATOM 0 HB2 SER A 37 -17.833 -31.897 -8.991 1.00 12.31 H new ATOM 0 HB3 SER A 37 -16.261 -31.128 -9.079 1.00 12.31 H new ATOM 0 HG SER A 37 -16.392 -32.662 -7.344 1.00 23.30 H new ATOM 540 N CYS A 38 -16.271 -27.998 -8.083 1.00 31.15 N ATOM 541 CA CYS A 38 -15.390 -27.071 -7.383 1.00 55.44 C ATOM 542 C CYS A 38 -16.182 -26.187 -6.424 1.00 24.01 C ATOM 543 O CYS A 38 -16.660 -25.118 -6.799 1.00 1.31 O ATOM 544 CB CYS A 38 -14.630 -26.201 -8.386 1.00 50.43 C ATOM 545 SG CYS A 38 -12.966 -25.738 -7.850 1.00 51.34 S ATOM 0 H CYS A 38 -16.331 -27.844 -9.090 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.675 -27.656 -6.804 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -14.559 -26.735 -9.334 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -15.205 -25.294 -8.573 1.00 50.43 H new ATOM 0 HG CYS A 38 -12.092 -26.226 -8.679 1.00 51.34 H new ATOM 551 N ASN A 39 -16.319 -26.644 -5.183 1.00 43.53 N ATOM 552 CA ASN A 39 -17.056 -25.898 -4.170 1.00 34.53 C ATOM 553 C ASN A 39 -16.101 -25.234 -3.183 1.00 40.14 C ATOM 554 O ASN A 39 -16.511 -24.793 -2.108 1.00 34.52 O ATOM 555 CB ASN A 39 -18.017 -26.823 -3.423 1.00 62.21 C ATOM 556 CG ASN A 39 -17.366 -28.133 -3.023 1.00 2.12 C ATOM 557 OD1 ASN A 39 -16.154 -28.199 -2.819 1.00 62.30 O ATOM 558 ND2 ASN A 39 -18.170 -29.183 -2.909 1.00 54.11 N ATOM 0 H ASN A 39 -15.929 -27.528 -4.855 1.00 43.53 H new ATOM 0 HA ASN A 39 -17.630 -25.120 -4.673 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -18.385 -26.316 -2.531 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -18.883 -27.028 -4.053 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -17.789 -30.091 -2.643 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -19.169 -29.082 -3.088 1.00 54.11 H new ATOM 565 N ASP A 40 -14.827 -25.164 -3.555 1.00 45.34 N ATOM 566 CA ASP A 40 -13.815 -24.552 -2.703 1.00 20.02 C ATOM 567 C ASP A 40 -13.635 -23.076 -3.045 1.00 50.34 C ATOM 568 O ASP A 40 -12.637 -22.461 -2.677 1.00 73.13 O ATOM 569 CB ASP A 40 -12.481 -25.288 -2.850 1.00 44.11 C ATOM 570 CG ASP A 40 -11.466 -24.862 -1.808 1.00 41.31 C ATOM 571 OD1 ASP A 40 -11.522 -25.386 -0.677 1.00 0.11 O ATOM 572 OD2 ASP A 40 -10.617 -24.002 -2.124 1.00 41.24 O ATOM 0 H ASP A 40 -14.471 -25.524 -4.441 1.00 45.34 H new ATOM 0 HA ASP A 40 -14.152 -24.628 -1.669 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -12.651 -26.362 -2.769 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -12.075 -25.103 -3.845 1.00 44.11 H new ATOM 577 N ASN A 41 -14.611 -22.516 -3.753 1.00 64.15 N ATOM 578 CA ASN A 41 -14.561 -21.113 -4.146 1.00 33.45 C ATOM 579 C ASN A 41 -13.289 -20.813 -4.933 1.00 33.24 C ATOM 580 O ASN A 41 -12.785 -19.690 -4.916 1.00 50.23 O ATOM 581 CB ASN A 41 -14.634 -20.213 -2.912 1.00 65.20 C ATOM 582 CG ASN A 41 -16.060 -19.982 -2.448 1.00 23.13 C ATOM 583 OD1 ASN A 41 -16.923 -19.572 -3.370 1.00 25.31 O flip ATOM 584 ND2 ASN A 41 -16.380 -20.170 -1.275 1.00 63.34 N flip ATOM 0 H ASN A 41 -15.445 -23.012 -4.066 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.420 -20.911 -4.786 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -14.060 -20.664 -2.102 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -14.168 -19.254 -3.137 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -15.683 -20.485 -0.600 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -17.342 -20.010 -0.977 1.00 63.34 H new ATOM 591 N ILE A 42 -12.774 -21.826 -5.623 1.00 30.15 N ATOM 592 CA ILE A 42 -11.562 -21.671 -6.418 1.00 31.32 C ATOM 593 C ILE A 42 -11.894 -21.359 -7.872 1.00 41.34 C ATOM 594 O ILE A 42 -12.750 -22.005 -8.478 1.00 12.51 O ATOM 595 CB ILE A 42 -10.688 -22.938 -6.363 1.00 40.33 C ATOM 596 CG1 ILE A 42 -10.326 -23.274 -4.914 1.00 31.15 C ATOM 597 CG2 ILE A 42 -9.429 -22.749 -7.198 1.00 3.31 C ATOM 598 CD1 ILE A 42 -9.566 -24.572 -4.766 1.00 74.15 C ATOM 0 H ILE A 42 -13.177 -22.763 -5.647 1.00 30.15 H new ATOM 0 HA ILE A 42 -11.007 -20.837 -5.988 1.00 31.32 H new ATOM 0 HB ILE A 42 -11.256 -23.771 -6.778 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -9.727 -22.463 -4.500 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -11.240 -23.328 -4.323 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.821 -23.653 -7.150 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.706 -22.553 -8.234 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -8.858 -21.906 -6.809 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -9.343 -24.745 -3.713 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -10.171 -25.394 -5.149 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.634 -24.514 -5.329 1.00 74.15 H new ATOM 610 N LEU A 43 -11.211 -20.365 -8.429 1.00 40.54 N ATOM 611 CA LEU A 43 -11.432 -19.967 -9.814 1.00 63.50 C ATOM 612 C LEU A 43 -10.503 -20.729 -10.755 1.00 24.21 C ATOM 613 O LEU A 43 -9.283 -20.573 -10.697 1.00 62.32 O ATOM 614 CB LEU A 43 -11.215 -18.461 -9.975 1.00 50.44 C ATOM 615 CG LEU A 43 -9.954 -17.891 -9.321 1.00 62.42 C ATOM 616 CD1 LEU A 43 -9.298 -16.866 -10.233 1.00 51.24 C ATOM 617 CD2 LEU A 43 -10.286 -17.273 -7.971 1.00 42.21 C ATOM 0 H LEU A 43 -10.499 -19.820 -7.942 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.462 -20.209 -10.075 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -11.184 -18.230 -11.040 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -12.080 -17.943 -9.562 1.00 50.44 H new ATOM 0 HG LEU A 43 -9.250 -18.707 -9.160 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -8.403 -16.471 -9.752 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -9.024 -17.340 -11.176 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -9.996 -16.051 -10.426 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -9.378 -16.873 -7.521 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -11.008 -16.468 -8.107 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -10.710 -18.035 -7.317 1.00 42.21 H new ATOM 629 N ILE A 44 -11.089 -21.549 -11.620 1.00 21.31 N ATOM 630 CA ILE A 44 -10.314 -22.332 -12.574 1.00 65.53 C ATOM 631 C ILE A 44 -10.128 -21.573 -13.884 1.00 4.02 C ATOM 632 O ILE A 44 -11.095 -21.277 -14.586 1.00 24.12 O ATOM 633 CB ILE A 44 -10.986 -23.686 -12.869 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.138 -24.496 -11.579 1.00 74.33 C ATOM 635 CG2 ILE A 44 -10.179 -24.465 -13.897 1.00 30.21 C ATOM 636 CD1 ILE A 44 -12.485 -24.323 -10.914 1.00 1.45 C ATOM 0 H ILE A 44 -12.098 -21.689 -11.680 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.340 -22.511 -12.119 1.00 65.53 H new ATOM 0 HB ILE A 44 -11.979 -23.501 -13.279 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -10.985 -25.552 -11.802 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -10.356 -24.201 -10.880 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -10.667 -25.420 -14.095 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -10.116 -23.891 -14.821 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -9.175 -24.643 -13.512 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -12.523 -24.925 -10.006 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -12.633 -23.274 -10.660 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -13.272 -24.645 -11.596 1.00 1.45 H new ATOM 648 N LEU A 45 -8.877 -21.264 -14.210 1.00 43.35 N ATOM 649 CA LEU A 45 -8.563 -20.541 -15.437 1.00 3.23 C ATOM 650 C LEU A 45 -8.250 -21.510 -16.574 1.00 11.21 C ATOM 651 O LEU A 45 -7.152 -22.063 -16.649 1.00 74.13 O ATOM 652 CB LEU A 45 -7.376 -19.603 -15.210 1.00 44.40 C ATOM 653 CG LEU A 45 -7.720 -18.175 -14.787 1.00 62.25 C ATOM 654 CD1 LEU A 45 -7.786 -18.068 -13.272 1.00 40.02 C ATOM 655 CD2 LEU A 45 -6.704 -17.192 -15.349 1.00 41.32 C ATOM 0 H LEU A 45 -8.064 -21.503 -13.642 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.436 -19.951 -15.716 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -6.733 -20.042 -14.447 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -6.793 -19.558 -16.130 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.700 -17.924 -15.191 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -8.032 -17.044 -12.990 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -8.553 -18.743 -12.893 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -6.820 -18.340 -12.846 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -6.965 -16.181 -15.037 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -5.711 -17.442 -14.975 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -6.707 -17.248 -16.438 1.00 41.32 H new ATOM 667 N VAL A 46 -9.222 -21.708 -17.459 1.00 2.42 N ATOM 668 CA VAL A 46 -9.050 -22.607 -18.594 1.00 64.44 C ATOM 669 C VAL A 46 -8.496 -21.864 -19.804 1.00 14.45 C ATOM 670 O VAL A 46 -9.179 -21.033 -20.402 1.00 14.22 O ATOM 671 CB VAL A 46 -10.379 -23.281 -18.984 1.00 13.24 C ATOM 672 CG1 VAL A 46 -10.155 -24.312 -20.079 1.00 34.10 C ATOM 673 CG2 VAL A 46 -11.030 -23.919 -17.765 1.00 71.13 C ATOM 0 H VAL A 46 -10.136 -21.258 -17.412 1.00 2.42 H new ATOM 0 HA VAL A 46 -8.340 -23.374 -18.285 1.00 64.44 H new ATOM 0 HB VAL A 46 -11.054 -22.517 -19.371 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -11.105 -24.777 -20.341 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -9.736 -23.823 -20.959 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -9.463 -25.076 -19.724 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -11.968 -24.391 -18.058 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -10.361 -24.671 -17.347 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.228 -23.153 -17.015 1.00 71.13 H new ATOM 683 N ASP A 47 -7.253 -22.170 -20.161 1.00 71.33 N ATOM 684 CA ASP A 47 -6.606 -21.531 -21.301 1.00 75.44 C ATOM 685 C ASP A 47 -6.505 -22.496 -22.478 1.00 44.42 C ATOM 686 O ASP A 47 -6.441 -23.712 -22.295 1.00 2.15 O ATOM 687 CB ASP A 47 -5.212 -21.034 -20.913 1.00 2.13 C ATOM 688 CG ASP A 47 -4.591 -20.158 -21.983 1.00 51.30 C ATOM 689 OD1 ASP A 47 -5.346 -19.594 -22.802 1.00 25.30 O ATOM 690 OD2 ASP A 47 -3.348 -20.037 -22.001 1.00 35.11 O ATOM 0 H ASP A 47 -6.674 -22.856 -19.677 1.00 71.33 H new ATOM 0 HA ASP A 47 -7.216 -20.679 -21.602 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.276 -20.473 -19.980 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -4.563 -21.890 -20.727 1.00 2.13 H new ATOM 695 N PHE A 48 -6.493 -21.946 -23.688 1.00 52.31 N ATOM 696 CA PHE A 48 -6.403 -22.758 -24.896 1.00 61.22 C ATOM 697 C PHE A 48 -5.047 -22.578 -25.572 1.00 3.21 C ATOM 698 O PHE A 48 -4.899 -21.764 -26.483 1.00 44.32 O ATOM 699 CB PHE A 48 -7.524 -22.388 -25.869 1.00 14.53 C ATOM 700 CG PHE A 48 -8.887 -22.385 -25.240 1.00 12.12 C ATOM 701 CD1 PHE A 48 -9.638 -23.548 -25.173 1.00 52.21 C ATOM 702 CD2 PHE A 48 -9.419 -21.218 -24.715 1.00 11.40 C ATOM 703 CE1 PHE A 48 -10.893 -23.547 -24.594 1.00 54.22 C ATOM 704 CE2 PHE A 48 -10.673 -21.211 -24.134 1.00 0.41 C ATOM 705 CZ PHE A 48 -11.411 -22.378 -24.075 1.00 2.15 C ATOM 0 H PHE A 48 -6.544 -20.942 -23.858 1.00 52.31 H new ATOM 0 HA PHE A 48 -6.511 -23.804 -24.610 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -7.322 -21.401 -26.285 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -7.518 -23.091 -26.702 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -9.238 -24.466 -25.578 1.00 52.21 H new ATOM 0 HD2 PHE A 48 -8.847 -20.303 -24.760 1.00 11.40 H new ATOM 0 HE1 PHE A 48 -11.468 -24.460 -24.548 1.00 54.22 H new ATOM 0 HE2 PHE A 48 -11.075 -20.295 -23.727 1.00 0.41 H new ATOM 0 HZ PHE A 48 -12.392 -22.375 -23.623 1.00 2.15 H new ATOM 884 N GLU A 60 2.950 -17.227 -22.179 1.00 12.25 N ATOM 885 CA GLU A 60 2.582 -16.463 -20.993 1.00 32.45 C ATOM 886 C GLU A 60 2.681 -17.324 -19.738 1.00 55.42 C ATOM 887 O GLU A 60 1.677 -17.745 -19.161 1.00 62.12 O ATOM 888 CB GLU A 60 1.162 -15.911 -21.135 1.00 30.34 C ATOM 889 CG GLU A 60 0.877 -15.306 -22.500 1.00 32.33 C ATOM 890 CD GLU A 60 2.032 -14.470 -23.019 1.00 23.13 C ATOM 891 OE1 GLU A 60 2.686 -13.789 -22.202 1.00 50.14 O ATOM 892 OE2 GLU A 60 2.279 -14.497 -24.243 1.00 35.42 O ATOM 0 HA GLU A 60 3.280 -15.631 -20.898 1.00 32.45 H new ATOM 0 HB2 GLU A 60 0.449 -16.714 -20.947 1.00 30.34 H new ATOM 0 HB3 GLU A 60 0.998 -15.153 -20.369 1.00 30.34 H new ATOM 0 HG2 GLU A 60 0.663 -16.105 -23.210 1.00 32.33 H new ATOM 0 HG3 GLU A 60 -0.017 -14.686 -22.439 1.00 32.33 H new ATOM 899 N PRO A 61 3.920 -17.595 -19.303 1.00 14.41 N ATOM 900 CA PRO A 61 4.182 -18.409 -18.112 1.00 50.20 C ATOM 901 C PRO A 61 3.778 -17.698 -16.825 1.00 41.53 C ATOM 902 O PRO A 61 3.728 -18.309 -15.757 1.00 22.32 O ATOM 903 CB PRO A 61 5.696 -18.623 -18.153 1.00 62.02 C ATOM 904 CG PRO A 61 6.222 -17.463 -18.926 1.00 1.52 C ATOM 905 CD PRO A 61 5.163 -17.127 -19.940 1.00 3.21 C ATOM 0 HA PRO A 61 3.608 -19.336 -18.117 1.00 50.20 H new ATOM 0 HB2 PRO A 61 6.119 -18.654 -17.149 1.00 62.02 H new ATOM 0 HB3 PRO A 61 5.949 -19.567 -18.635 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.418 -16.614 -18.271 1.00 1.52 H new ATOM 0 HG3 PRO A 61 7.164 -17.714 -19.414 1.00 1.52 H new ATOM 0 HD2 PRO A 61 5.130 -16.057 -20.147 1.00 3.21 H new ATOM 0 HD3 PRO A 61 5.342 -17.631 -20.890 1.00 3.21 H new ATOM 913 N GLN A 62 3.495 -16.404 -16.932 1.00 11.15 N ATOM 914 CA GLN A 62 3.098 -15.610 -15.775 1.00 4.33 C ATOM 915 C GLN A 62 1.875 -16.217 -15.092 1.00 54.12 C ATOM 916 O GLN A 62 1.738 -16.154 -13.870 1.00 64.54 O ATOM 917 CB GLN A 62 2.799 -14.171 -16.197 1.00 70.43 C ATOM 918 CG GLN A 62 3.934 -13.513 -16.964 1.00 42.43 C ATOM 919 CD GLN A 62 3.732 -13.565 -18.465 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.606 -14.016 -19.205 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.574 -13.104 -18.923 1.00 53.33 N ATOM 0 H GLN A 62 3.533 -15.883 -17.808 1.00 11.15 H new ATOM 0 HA GLN A 62 3.925 -15.609 -15.065 1.00 4.33 H new ATOM 0 HB2 GLN A 62 1.901 -14.162 -16.815 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.581 -13.579 -15.308 1.00 70.43 H new ATOM 0 HG2 GLN A 62 4.025 -12.473 -16.649 1.00 42.43 H new ATOM 0 HG3 GLN A 62 4.872 -14.006 -16.710 1.00 42.43 H new ATOM 0 HE21 GLN A 62 1.878 -12.739 -18.273 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.381 -13.115 -19.924 1.00 53.33 H new ATOM 930 N LEU A 63 0.990 -16.805 -15.890 1.00 3.30 N ATOM 931 CA LEU A 63 -0.221 -17.424 -15.362 1.00 51.52 C ATOM 932 C LEU A 63 0.121 -18.529 -14.369 1.00 11.10 C ATOM 933 O LEU A 63 -0.433 -18.583 -13.270 1.00 50.22 O ATOM 934 CB LEU A 63 -1.066 -17.992 -16.504 1.00 63.14 C ATOM 935 CG LEU A 63 -2.016 -17.008 -17.189 1.00 4.31 C ATOM 936 CD1 LEU A 63 -3.007 -16.438 -16.187 1.00 33.34 C ATOM 937 CD2 LEU A 63 -1.232 -15.891 -17.862 1.00 44.21 C ATOM 0 H LEU A 63 1.088 -16.866 -16.903 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.794 -16.657 -14.841 1.00 51.52 H new ATOM 0 HB2 LEU A 63 -0.394 -18.402 -17.258 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.654 -18.823 -16.116 1.00 63.14 H new ATOM 0 HG LEU A 63 -2.575 -17.545 -17.955 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -3.675 -15.740 -16.692 1.00 33.34 H new ATOM 0 HD12 LEU A 63 -3.591 -17.249 -15.752 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -2.467 -15.916 -15.397 1.00 33.34 H new ATOM 0 HD21 LEU A 63 -1.924 -15.200 -18.344 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -0.647 -15.356 -17.114 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -0.563 -16.316 -18.610 1.00 44.21 H new ATOM 949 N GLU A 64 1.036 -19.409 -14.762 1.00 45.21 N ATOM 950 CA GLU A 64 1.452 -20.513 -13.904 1.00 2.31 C ATOM 951 C GLU A 64 2.226 -20.000 -12.693 1.00 45.41 C ATOM 952 O GLU A 64 1.986 -20.424 -11.562 1.00 21.22 O ATOM 953 CB GLU A 64 2.313 -21.504 -14.691 1.00 23.31 C ATOM 954 CG GLU A 64 1.657 -21.998 -15.970 1.00 22.31 C ATOM 955 CD GLU A 64 2.642 -22.659 -16.913 1.00 12.53 C ATOM 956 OE1 GLU A 64 3.808 -22.857 -16.509 1.00 51.52 O ATOM 957 OE2 GLU A 64 2.249 -22.978 -18.054 1.00 32.21 O ATOM 0 H GLU A 64 1.503 -19.379 -15.668 1.00 45.21 H new ATOM 0 HA GLU A 64 0.555 -21.022 -13.551 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.263 -21.030 -14.939 1.00 23.31 H new ATOM 0 HB3 GLU A 64 2.540 -22.360 -14.055 1.00 23.31 H new ATOM 0 HG2 GLU A 64 0.868 -22.707 -15.719 1.00 22.31 H new ATOM 0 HG3 GLU A 64 1.181 -21.159 -16.477 1.00 22.31 H new ATOM 964 N LYS A 65 3.158 -19.085 -12.940 1.00 53.21 N ATOM 965 CA LYS A 65 3.969 -18.511 -11.872 1.00 34.44 C ATOM 966 C LYS A 65 3.088 -17.994 -10.738 1.00 3.12 C ATOM 967 O LYS A 65 3.319 -18.304 -9.569 1.00 2.53 O ATOM 968 CB LYS A 65 4.837 -17.375 -12.417 1.00 20.12 C ATOM 969 CG LYS A 65 6.214 -17.828 -12.874 1.00 22.54 C ATOM 970 CD LYS A 65 6.137 -18.628 -14.163 1.00 64.11 C ATOM 971 CE LYS A 65 7.459 -19.313 -14.472 1.00 75.14 C ATOM 972 NZ LYS A 65 7.674 -20.515 -13.622 1.00 55.11 N ATOM 0 H LYS A 65 3.370 -18.725 -13.870 1.00 53.21 H new ATOM 0 HA LYS A 65 4.615 -19.296 -11.478 1.00 34.44 H new ATOM 0 HB2 LYS A 65 4.322 -16.905 -13.255 1.00 20.12 H new ATOM 0 HB3 LYS A 65 4.951 -16.614 -11.645 1.00 20.12 H new ATOM 0 HG2 LYS A 65 6.854 -16.958 -13.022 1.00 22.54 H new ATOM 0 HG3 LYS A 65 6.676 -18.435 -12.095 1.00 22.54 H new ATOM 0 HD2 LYS A 65 5.348 -19.376 -14.082 1.00 64.11 H new ATOM 0 HD3 LYS A 65 5.867 -17.968 -14.987 1.00 64.11 H new ATOM 0 HE2 LYS A 65 7.481 -19.603 -15.523 1.00 75.14 H new ATOM 0 HE3 LYS A 65 8.277 -18.609 -14.319 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 8.535 -21.010 -13.932 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 7.781 -20.224 -12.629 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 6.857 -21.153 -13.710 1.00 55.11 H new ATOM 986 N LEU A 66 2.080 -17.205 -11.091 1.00 62.23 N ATOM 987 CA LEU A 66 1.164 -16.646 -10.104 1.00 42.40 C ATOM 988 C LEU A 66 0.213 -17.716 -9.575 1.00 34.31 C ATOM 989 O LEU A 66 -0.150 -17.710 -8.400 1.00 43.55 O ATOM 990 CB LEU A 66 0.364 -15.494 -10.716 1.00 35.22 C ATOM 991 CG LEU A 66 1.010 -14.112 -10.637 1.00 12.31 C ATOM 992 CD1 LEU A 66 1.254 -13.718 -9.189 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.312 -14.087 -11.425 1.00 20.50 C ATOM 0 H LEU A 66 1.876 -16.938 -12.054 1.00 62.23 H new ATOM 0 HA LEU A 66 1.755 -16.267 -9.270 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.176 -15.726 -11.764 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.606 -15.448 -10.221 1.00 35.22 H new ATOM 0 HG LEU A 66 0.326 -13.387 -11.078 1.00 12.31 H new ATOM 0 HD11 LEU A 66 1.715 -12.731 -9.153 1.00 3.13 H new ATOM 0 HD12 LEU A 66 0.305 -13.695 -8.653 1.00 3.13 H new ATOM 0 HD13 LEU A 66 1.918 -14.445 -8.721 1.00 3.13 H new ATOM 0 HD21 LEU A 66 2.759 -13.095 -11.358 1.00 20.50 H new ATOM 0 HD22 LEU A 66 3.001 -14.824 -11.013 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.110 -14.324 -12.470 1.00 20.50 H new ATOM 1005 N ALA A 67 -0.184 -18.633 -10.451 1.00 62.40 N ATOM 1006 CA ALA A 67 -1.087 -19.711 -10.072 1.00 31.15 C ATOM 1007 C ALA A 67 -0.542 -20.491 -8.881 1.00 1.14 C ATOM 1008 O ALA A 67 -1.305 -21.045 -8.089 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.323 -20.642 -11.251 1.00 20.14 C ATOM 0 H ALA A 67 0.106 -18.650 -11.429 1.00 62.40 H new ATOM 0 HA ALA A 67 -2.038 -19.267 -9.778 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -2.000 -21.443 -10.953 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.765 -20.081 -12.075 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.374 -21.070 -11.572 1.00 20.14 H new ATOM 1015 N GLN A 68 0.781 -20.529 -8.760 1.00 12.15 N ATOM 1016 CA GLN A 68 1.427 -21.243 -7.665 1.00 64.31 C ATOM 1017 C GLN A 68 1.419 -20.407 -6.389 1.00 50.20 C ATOM 1018 O GLN A 68 1.368 -20.945 -5.284 1.00 5.42 O ATOM 1019 CB GLN A 68 2.865 -21.605 -8.042 1.00 4.24 C ATOM 1020 CG GLN A 68 2.967 -22.472 -9.286 1.00 32.35 C ATOM 1021 CD GLN A 68 4.304 -22.331 -9.987 1.00 43.12 C ATOM 1022 OE1 GLN A 68 5.360 -22.445 -9.364 1.00 72.41 O ATOM 1023 NE2 GLN A 68 4.265 -22.082 -11.291 1.00 1.41 N ATOM 0 H GLN A 68 1.426 -20.074 -9.406 1.00 12.15 H new ATOM 0 HA GLN A 68 0.865 -22.159 -7.481 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.432 -20.688 -8.201 1.00 4.24 H new ATOM 0 HB3 GLN A 68 3.331 -22.127 -7.206 1.00 4.24 H new ATOM 0 HG2 GLN A 68 2.814 -23.515 -9.011 1.00 32.35 H new ATOM 0 HG3 GLN A 68 2.168 -22.204 -9.978 1.00 32.35 H new ATOM 0 HE21 GLN A 68 3.367 -21.995 -11.767 1.00 1.41 H new ATOM 0 HE22 GLN A 68 5.133 -21.977 -11.816 1.00 1.41 H new ATOM 1032 N GLN A 69 1.468 -19.089 -6.553 1.00 75.41 N ATOM 1033 CA GLN A 69 1.468 -18.178 -5.413 1.00 73.40 C ATOM 1034 C GLN A 69 0.061 -18.014 -4.848 1.00 43.13 C ATOM 1035 O GLN A 69 -0.113 -17.696 -3.672 1.00 45.10 O ATOM 1036 CB GLN A 69 2.027 -16.815 -5.823 1.00 50.41 C ATOM 1037 CG GLN A 69 3.490 -16.857 -6.239 1.00 72.14 C ATOM 1038 CD GLN A 69 4.146 -15.491 -6.201 1.00 5.22 C ATOM 1039 OE1 GLN A 69 3.578 -14.531 -5.682 1.00 1.33 O ATOM 1040 NE2 GLN A 69 5.351 -15.399 -6.753 1.00 61.43 N ATOM 0 H GLN A 69 1.508 -18.628 -7.462 1.00 75.41 H new ATOM 0 HA GLN A 69 2.104 -18.606 -4.638 1.00 73.40 H new ATOM 0 HB2 GLN A 69 1.434 -16.422 -6.649 1.00 50.41 H new ATOM 0 HB3 GLN A 69 1.914 -16.120 -4.991 1.00 50.41 H new ATOM 0 HG2 GLN A 69 4.032 -17.535 -5.580 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.566 -17.264 -7.247 1.00 72.14 H new ATOM 0 HE21 GLN A 69 5.784 -16.222 -7.172 1.00 61.43 H new ATOM 0 HE22 GLN A 69 5.843 -14.506 -6.758 1.00 61.43 H new ATOM 1049 N TYR A 70 -0.940 -18.234 -5.694 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.332 -18.108 -5.279 1.00 13.24 C ATOM 1051 C TYR A 70 -3.096 -19.404 -5.535 1.00 13.40 C ATOM 1052 O TYR A 70 -4.322 -19.403 -5.654 1.00 60.12 O ATOM 1053 CB TYR A 70 -3.004 -16.951 -6.021 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.376 -15.605 -5.740 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -2.193 -15.160 -4.437 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -1.963 -14.779 -6.778 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -1.619 -13.931 -4.175 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -1.388 -13.548 -6.526 1.00 43.53 C ATOM 1059 CZ TYR A 70 -1.219 -13.129 -5.223 1.00 60.24 C ATOM 1060 OH TYR A 70 -0.646 -11.904 -4.967 1.00 32.23 O ATOM 0 H TYR A 70 -0.813 -18.500 -6.670 1.00 25.32 H new ATOM 0 HA TYR A 70 -2.349 -17.903 -4.209 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -2.963 -17.145 -7.093 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -4.058 -16.916 -5.744 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -2.505 -15.786 -3.614 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -2.094 -15.105 -7.799 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -1.484 -13.600 -3.156 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -1.073 -12.918 -7.345 1.00 43.53 H new ATOM 0 HH TYR A 70 -0.420 -11.465 -5.814 1.00 32.23 H new ATOM 1070 N THR A 71 -2.363 -20.509 -5.619 1.00 53.31 N ATOM 1071 CA THR A 71 -2.968 -21.812 -5.861 1.00 63.45 C ATOM 1072 C THR A 71 -4.044 -22.119 -4.827 1.00 25.02 C ATOM 1073 O THR A 71 -4.941 -22.925 -5.072 1.00 11.42 O ATOM 1074 CB THR A 71 -1.915 -22.935 -5.838 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.494 -24.161 -6.297 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.357 -23.126 -4.435 1.00 62.15 C ATOM 0 H THR A 71 -1.348 -20.527 -5.523 1.00 53.31 H new ATOM 0 HA THR A 71 -3.421 -21.770 -6.852 1.00 63.45 H new ATOM 0 HB THR A 71 -1.099 -22.649 -6.501 1.00 51.51 H new ATOM 0 HG1 THR A 71 -1.817 -24.869 -6.280 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.615 -23.925 -4.444 1.00 62.15 H new ATOM 0 HG22 THR A 71 -0.889 -22.200 -4.100 1.00 62.15 H new ATOM 0 HG23 THR A 71 -2.166 -23.390 -3.754 1.00 62.15 H new ATOM 1084 N GLU A 72 -3.949 -21.471 -3.670 1.00 42.03 N ATOM 1085 CA GLU A 72 -4.916 -21.677 -2.598 1.00 25.13 C ATOM 1086 C GLU A 72 -6.339 -21.435 -3.094 1.00 64.22 C ATOM 1087 O GLU A 72 -7.271 -22.136 -2.703 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.610 -20.747 -1.421 1.00 62.10 C ATOM 1089 CG GLU A 72 -3.397 -21.171 -0.610 1.00 10.13 C ATOM 1090 CD GLU A 72 -2.957 -20.109 0.379 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -3.836 -19.484 1.008 1.00 3.33 O ATOM 1092 OE2 GLU A 72 -1.734 -19.903 0.524 1.00 54.20 O ATOM 0 H GLU A 72 -3.213 -20.800 -3.451 1.00 42.03 H new ATOM 0 HA GLU A 72 -4.837 -22.712 -2.266 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.449 -19.737 -1.799 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.479 -20.707 -0.765 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -3.628 -22.090 -0.072 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.573 -21.396 -1.287 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.496 -20.437 -3.959 1.00 43.45 N ATOM 1100 CA ASN A 73 -7.804 -20.102 -4.509 1.00 72.45 C ATOM 1101 C ASN A 73 -7.710 -19.819 -6.004 1.00 43.54 C ATOM 1102 O ASN A 73 -8.551 -19.121 -6.570 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.389 -18.888 -3.784 1.00 62.14 C ATOM 1104 CG ASN A 73 -9.905 -18.864 -3.826 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.506 -18.026 -4.498 1.00 54.33 O ATOM 1106 ND2 ASN A 73 -10.530 -19.787 -3.105 1.00 12.25 N ATOM 0 H ASN A 73 -5.734 -19.847 -4.293 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.463 -20.958 -4.361 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -8.057 -18.894 -2.746 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -8.001 -17.976 -4.238 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -11.549 -19.821 -3.093 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -9.991 -20.462 -2.563 1.00 12.25 H new ATOM 1113 N VAL A 74 -6.679 -20.366 -6.640 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.474 -20.174 -8.071 1.00 42.34 C ATOM 1115 C VAL A 74 -6.103 -21.486 -8.754 1.00 24.52 C ATOM 1116 O VAL A 74 -5.281 -22.251 -8.249 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.371 -19.135 -8.346 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.183 -18.938 -9.842 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -5.701 -17.816 -7.664 1.00 13.41 C ATOM 0 H VAL A 74 -5.973 -20.946 -6.187 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.416 -19.809 -8.479 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.434 -19.508 -7.933 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.400 -18.200 -10.016 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -4.898 -19.885 -10.301 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.116 -18.587 -10.283 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -4.911 -17.093 -7.869 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -6.649 -17.436 -8.046 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -5.780 -17.972 -6.588 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.712 -21.740 -9.907 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.446 -22.959 -10.662 1.00 54.30 C ATOM 1131 C LYS A 75 -6.268 -22.652 -12.145 1.00 41.22 C ATOM 1132 O LYS A 75 -6.660 -21.585 -12.619 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.586 -23.962 -10.470 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.395 -24.880 -9.276 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.202 -25.802 -9.467 1.00 22.44 C ATOM 1136 CE LYS A 75 -6.178 -26.905 -8.419 1.00 73.13 C ATOM 1137 NZ LYS A 75 -5.599 -26.434 -7.131 1.00 54.32 N ATOM 0 H LYS A 75 -7.394 -21.117 -10.340 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.521 -23.395 -10.286 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.522 -23.417 -10.352 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -7.681 -24.567 -11.371 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -7.254 -24.282 -8.375 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -8.296 -25.475 -9.126 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -6.238 -26.245 -10.462 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -5.280 -25.223 -9.409 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -7.192 -27.268 -8.250 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -5.596 -27.748 -8.792 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -5.600 -27.215 -6.444 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -4.623 -26.112 -7.287 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -6.169 -25.646 -6.762 1.00 54.32 H new ATOM 1151 N ILE A 76 -5.677 -23.593 -12.873 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.450 -23.423 -14.302 1.00 74.21 C ATOM 1153 C ILE A 76 -5.469 -24.766 -15.026 1.00 73.53 C ATOM 1154 O ILE A 76 -4.946 -25.760 -14.524 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.107 -22.723 -14.580 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.088 -21.335 -13.938 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -3.861 -22.622 -16.078 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -2.811 -20.566 -14.197 1.00 71.25 C ATOM 0 H ILE A 76 -5.347 -24.481 -12.496 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.261 -22.798 -14.677 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.307 -23.318 -14.140 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -4.933 -20.758 -14.315 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.228 -21.439 -12.862 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -2.908 -22.125 -16.257 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -3.836 -23.622 -16.511 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -4.663 -22.047 -16.540 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -2.868 -19.592 -13.712 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -1.964 -21.122 -13.795 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -2.680 -20.430 -15.270 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.076 -24.785 -16.208 1.00 44.05 N ATOM 1171 CA TYR A 77 -6.164 -26.006 -17.000 1.00 41.33 C ATOM 1172 C TYR A 77 -6.048 -25.698 -18.490 1.00 64.33 C ATOM 1173 O TYR A 77 -6.646 -24.744 -18.988 1.00 10.43 O ATOM 1174 CB TYR A 77 -7.484 -26.727 -16.719 1.00 72.10 C ATOM 1175 CG TYR A 77 -7.497 -27.477 -15.407 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -6.422 -28.273 -15.027 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -8.582 -27.390 -14.544 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -6.430 -28.960 -13.830 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -8.598 -28.072 -13.343 1.00 23.03 C ATOM 1180 CZ TYR A 77 -7.520 -28.856 -12.990 1.00 14.33 C ATOM 1181 OH TYR A 77 -7.530 -29.539 -11.796 1.00 41.31 O ATOM 0 H TYR A 77 -6.514 -23.970 -16.638 1.00 44.05 H new ATOM 0 HA TYR A 77 -5.335 -26.654 -16.715 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -8.294 -25.997 -16.719 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -7.686 -27.427 -17.530 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -5.566 -28.355 -15.680 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -9.429 -26.778 -14.817 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -5.587 -29.576 -13.552 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -9.450 -27.992 -12.684 1.00 23.03 H new ATOM 0 HH TYR A 77 -8.369 -29.358 -11.323 1.00 41.31 H new ATOM 1191 N LYS A 78 -5.274 -26.513 -19.198 1.00 23.53 N ATOM 1192 CA LYS A 78 -5.078 -26.331 -20.631 1.00 3.52 C ATOM 1193 C LYS A 78 -5.847 -27.384 -21.422 1.00 53.52 C ATOM 1194 O LYS A 78 -6.626 -28.152 -20.858 1.00 32.22 O ATOM 1195 CB LYS A 78 -3.588 -26.405 -20.977 1.00 32.21 C ATOM 1196 CG LYS A 78 -2.967 -27.763 -20.703 1.00 32.34 C ATOM 1197 CD LYS A 78 -1.466 -27.659 -20.494 1.00 31.11 C ATOM 1198 CE LYS A 78 -0.762 -28.961 -20.843 1.00 21.42 C ATOM 1199 NZ LYS A 78 -0.831 -29.257 -22.300 1.00 41.41 N ATOM 0 H LYS A 78 -4.771 -27.307 -18.802 1.00 23.53 H new ATOM 0 HA LYS A 78 -5.459 -25.347 -20.903 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -3.456 -26.160 -22.031 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -3.053 -25.648 -20.404 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -3.428 -28.203 -19.819 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -3.173 -28.433 -21.537 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -1.067 -26.853 -21.109 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -1.259 -27.400 -19.456 1.00 31.11 H new ATOM 0 HE2 LYS A 78 0.282 -28.904 -20.533 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -1.216 -29.780 -20.284 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -0.043 -29.882 -22.565 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 -1.733 -29.727 -22.516 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 -0.765 -28.369 -22.838 1.00 41.41 H new ATOM 1490 N THR A 98 -7.320 -17.758 -25.305 1.00 45.20 N ATOM 1491 CA THR A 98 -8.108 -17.044 -24.309 1.00 23.33 C ATOM 1492 C THR A 98 -8.217 -17.844 -23.016 1.00 42.13 C ATOM 1493 O THR A 98 -8.006 -19.056 -23.007 1.00 12.55 O ATOM 1494 CB THR A 98 -9.525 -16.736 -24.829 1.00 62.14 C ATOM 1495 OG1 THR A 98 -9.466 -16.332 -26.202 1.00 63.21 O ATOM 1496 CG2 THR A 98 -10.181 -15.642 -24.001 1.00 55.04 C ATOM 0 HA THR A 98 -7.590 -16.106 -24.110 1.00 23.33 H new ATOM 0 HB THR A 98 -10.124 -17.642 -24.742 1.00 62.14 H new ATOM 0 HG1 THR A 98 -8.686 -16.742 -26.630 1.00 63.21 H new ATOM 0 HG21 THR A 98 -11.180 -15.443 -24.388 1.00 55.04 H new ATOM 0 HG22 THR A 98 -10.252 -15.965 -22.962 1.00 55.04 H new ATOM 0 HG23 THR A 98 -9.582 -14.733 -24.059 1.00 55.04 H new ATOM 1504 N ILE A 99 -8.547 -17.157 -21.927 1.00 62.15 N ATOM 1505 CA ILE A 99 -8.686 -17.805 -20.629 1.00 43.54 C ATOM 1506 C ILE A 99 -10.072 -17.567 -20.040 1.00 65.44 C ATOM 1507 O ILE A 99 -10.577 -16.443 -20.047 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.623 -17.304 -19.633 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.225 -17.726 -20.089 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.913 -17.834 -18.237 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.634 -16.818 -21.145 1.00 74.33 C ATOM 0 H ILE A 99 -8.723 -16.152 -21.918 1.00 62.15 H new ATOM 0 HA ILE A 99 -8.543 -18.873 -20.793 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.661 -16.215 -19.602 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -5.560 -17.746 -19.225 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.270 -18.743 -20.480 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -7.153 -17.471 -17.545 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.894 -17.487 -17.913 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -7.900 -18.924 -18.252 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.643 -17.177 -21.421 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -6.277 -16.817 -22.025 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -5.556 -15.805 -20.751 1.00 74.33 H new ATOM 1523 N LEU A 100 -10.682 -18.630 -19.529 1.00 14.13 N ATOM 1524 CA LEU A 100 -12.010 -18.537 -18.933 1.00 74.13 C ATOM 1525 C LEU A 100 -11.983 -18.968 -17.470 1.00 51.03 C ATOM 1526 O LEU A 100 -11.513 -20.057 -17.143 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.003 -19.402 -19.712 1.00 11.41 C ATOM 1528 CG LEU A 100 -13.432 -18.864 -21.078 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -13.725 -20.010 -22.034 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -14.649 -17.962 -20.936 1.00 10.22 C ATOM 0 H LEU A 100 -10.278 -19.567 -19.515 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.329 -17.496 -18.980 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -12.562 -20.388 -19.854 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -13.895 -19.537 -19.100 1.00 11.41 H new ATOM 0 HG LEU A 100 -12.613 -18.274 -21.490 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -14.029 -19.609 -23.001 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -12.829 -20.618 -22.159 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -14.528 -20.626 -21.628 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -14.941 -17.588 -21.917 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.474 -18.529 -20.504 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -14.406 -17.122 -20.285 1.00 10.22 H new ATOM 1542 N MET A 101 -12.490 -18.106 -16.595 1.00 44.04 N ATOM 1543 CA MET A 101 -12.526 -18.399 -15.167 1.00 51.33 C ATOM 1544 C MET A 101 -13.866 -19.013 -14.772 1.00 12.11 C ATOM 1545 O MET A 101 -14.918 -18.400 -14.948 1.00 52.43 O ATOM 1546 CB MET A 101 -12.278 -17.126 -14.356 1.00 34.22 C ATOM 1547 CG MET A 101 -10.822 -16.688 -14.345 1.00 12.34 C ATOM 1548 SD MET A 101 -10.542 -15.233 -13.316 1.00 53.14 S ATOM 1549 CE MET A 101 -8.852 -14.830 -13.753 1.00 41.24 C ATOM 0 H MET A 101 -12.881 -17.199 -16.850 1.00 44.04 H new ATOM 0 HA MET A 101 -11.737 -19.119 -14.950 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.888 -16.320 -14.764 1.00 34.22 H new ATOM 0 HB3 MET A 101 -12.608 -17.288 -13.330 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.202 -17.509 -13.983 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.503 -16.474 -15.365 1.00 12.34 H new ATOM 0 HE1 MET A 101 -8.690 -13.759 -13.629 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.168 -15.378 -13.105 1.00 41.24 H new ATOM 0 HE3 MET A 101 -8.669 -15.107 -14.791 1.00 41.24 H new ATOM 1559 N PHE A 102 -13.819 -20.229 -14.237 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.029 -20.926 -13.818 1.00 22.24 C ATOM 1561 C PHE A 102 -14.933 -21.354 -12.356 1.00 24.11 C ATOM 1562 O PHE A 102 -13.850 -21.655 -11.856 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.270 -22.151 -14.703 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.758 -21.808 -16.082 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -17.062 -21.382 -16.284 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -14.913 -21.909 -17.175 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -17.513 -21.066 -17.551 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -15.360 -21.593 -18.445 1.00 54.11 C ATOM 1569 CZ PHE A 102 -16.661 -21.171 -18.633 1.00 21.31 C ATOM 0 H PHE A 102 -12.956 -20.751 -14.084 1.00 41.14 H new ATOM 0 HA PHE A 102 -15.868 -20.238 -13.923 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.343 -22.718 -14.785 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -15.999 -22.801 -14.219 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.732 -21.296 -15.442 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -13.894 -22.238 -17.034 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -18.531 -20.737 -17.695 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -14.692 -21.676 -19.289 1.00 54.11 H new ATOM 0 HZ PHE A 102 -17.012 -20.924 -19.624 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.075 -21.377 -11.677 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.121 -21.767 -10.272 1.00 14.34 C ATOM 1581 C LYS A 103 -17.563 -21.952 -9.807 1.00 42.13 C ATOM 1582 O LYS A 103 -18.413 -21.094 -10.037 1.00 4.33 O ATOM 1583 CB LYS A 103 -15.425 -20.714 -9.406 1.00 55.11 C ATOM 1584 CG LYS A 103 -15.429 -21.048 -7.924 1.00 53.23 C ATOM 1585 CD LYS A 103 -16.556 -20.338 -7.195 1.00 73.44 C ATOM 1586 CE LYS A 103 -16.139 -18.946 -6.744 1.00 31.03 C ATOM 1587 NZ LYS A 103 -17.315 -18.097 -6.408 1.00 61.33 N ATOM 0 H LYS A 103 -16.981 -21.130 -12.076 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.598 -22.718 -10.166 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -14.394 -20.602 -9.742 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -15.915 -19.752 -9.555 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -15.532 -22.125 -7.793 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -14.473 -20.763 -7.484 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -17.425 -20.265 -7.849 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -16.858 -20.927 -6.329 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -15.488 -19.026 -5.873 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -15.559 -18.467 -7.533 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -16.989 -17.157 -6.105 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -17.923 -17.999 -7.246 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -17.855 -18.541 -5.638 1.00 61.33 H new ATOM 1601 N ASN A 104 -17.828 -23.076 -9.150 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.165 -23.373 -8.651 1.00 62.34 C ATOM 1603 C ASN A 104 -20.202 -23.239 -9.763 1.00 50.33 C ATOM 1604 O ASN A 104 -21.319 -22.777 -9.532 1.00 40.20 O ATOM 1605 CB ASN A 104 -19.520 -22.438 -7.494 1.00 11.23 C ATOM 1606 CG ASN A 104 -20.791 -22.857 -6.781 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.051 -24.045 -6.598 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -21.591 -21.876 -6.375 1.00 61.13 N ATOM 0 H ASN A 104 -17.134 -23.796 -8.951 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.172 -24.402 -8.293 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -18.696 -22.418 -6.781 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -19.637 -21.423 -7.874 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -22.461 -22.095 -5.890 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -21.335 -20.904 -6.549 1.00 61.13 H new ATOM 1615 N GLY A 105 -19.824 -23.649 -10.970 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.732 -23.567 -12.099 1.00 3.40 C ATOM 1617 C GLY A 105 -21.056 -22.136 -12.480 1.00 72.24 C ATOM 1618 O GLY A 105 -22.123 -21.858 -13.027 1.00 44.34 O ATOM 0 H GLY A 105 -18.905 -24.036 -11.186 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.289 -24.076 -12.955 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.655 -24.093 -11.858 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.134 -21.225 -12.189 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.326 -19.814 -12.504 1.00 23.53 C ATOM 1624 C LYS A 106 -19.024 -19.182 -12.984 1.00 52.51 C ATOM 1625 O LYS A 106 -17.938 -19.559 -12.542 1.00 15.21 O ATOM 1626 CB LYS A 106 -20.848 -19.063 -11.278 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.622 -17.803 -11.621 1.00 13.01 C ATOM 1628 CD LYS A 106 -22.012 -17.030 -10.371 1.00 34.42 C ATOM 1629 CE LYS A 106 -22.826 -15.792 -10.713 1.00 12.25 C ATOM 1630 NZ LYS A 106 -22.812 -14.796 -9.606 1.00 53.44 N ATOM 0 H LYS A 106 -19.246 -21.438 -11.735 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.061 -19.743 -13.306 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -21.490 -19.728 -10.701 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -20.006 -18.799 -10.638 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -21.017 -17.168 -12.268 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -22.519 -18.067 -12.181 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -22.589 -17.675 -9.708 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -21.114 -16.737 -9.828 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -22.428 -15.334 -11.619 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -23.855 -16.082 -10.928 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -23.378 -13.967 -9.878 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -23.215 -15.224 -8.748 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -21.833 -14.500 -9.418 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.139 -18.218 -13.891 1.00 5.15 N ATOM 1645 CA LYS A 107 -17.971 -17.530 -14.429 1.00 22.41 C ATOM 1646 C LYS A 107 -17.512 -16.420 -13.489 1.00 2.12 C ATOM 1647 O LYS A 107 -18.330 -15.727 -12.884 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.287 -16.947 -15.808 1.00 42.32 C ATOM 1649 CG LYS A 107 -19.355 -15.866 -15.780 1.00 53.43 C ATOM 1650 CD LYS A 107 -19.520 -15.210 -17.141 1.00 74.10 C ATOM 1651 CE LYS A 107 -20.563 -14.103 -17.104 1.00 71.11 C ATOM 1652 NZ LYS A 107 -20.991 -13.699 -18.471 1.00 25.43 N ATOM 0 H LYS A 107 -20.030 -17.895 -14.269 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.165 -18.257 -14.525 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -17.374 -16.533 -16.237 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -18.613 -17.751 -16.468 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -20.305 -16.299 -15.466 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -19.090 -15.110 -15.041 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -18.564 -14.800 -17.467 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -19.811 -15.961 -17.875 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -21.430 -14.440 -16.537 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -20.156 -13.238 -16.580 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -21.702 -12.943 -18.403 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -20.168 -13.353 -19.005 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -21.403 -14.518 -18.962 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.198 -16.256 -13.372 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.630 -15.228 -12.506 1.00 31.31 C ATOM 1668 C LEU A 108 -14.993 -14.113 -13.330 1.00 60.45 C ATOM 1669 O LEU A 108 -14.948 -12.960 -12.902 1.00 22.20 O ATOM 1670 CB LEU A 108 -14.589 -15.842 -11.569 1.00 53.53 C ATOM 1671 CG LEU A 108 -15.069 -17.010 -10.706 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -16.465 -16.738 -10.169 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -15.045 -18.306 -11.502 1.00 44.43 C ATOM 0 H LEU A 108 -15.507 -16.821 -13.865 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.438 -14.800 -11.912 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -13.745 -16.182 -12.169 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.216 -15.058 -10.910 1.00 53.53 H new ATOM 0 HG LEU A 108 -14.390 -17.114 -9.859 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -16.790 -17.580 -9.557 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -16.451 -15.832 -9.562 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -17.156 -16.607 -11.002 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -15.390 -19.126 -10.872 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -15.700 -18.213 -12.368 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -14.028 -18.508 -11.837 1.00 44.43 H new ATOM 1685 N SER A 109 -14.505 -14.465 -14.515 1.00 64.12 N ATOM 1686 CA SER A 109 -13.870 -13.494 -15.398 1.00 55.15 C ATOM 1687 C SER A 109 -13.385 -14.163 -16.681 1.00 41.05 C ATOM 1688 O SER A 109 -13.410 -15.387 -16.803 1.00 33.13 O ATOM 1689 CB SER A 109 -12.696 -12.817 -14.688 1.00 52.45 C ATOM 1690 OG SER A 109 -12.964 -11.446 -14.454 1.00 54.05 O ATOM 0 H SER A 109 -14.537 -15.415 -14.886 1.00 64.12 H new ATOM 0 HA SER A 109 -14.611 -12.739 -15.659 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.501 -13.320 -13.741 1.00 52.45 H new ATOM 0 HB3 SER A 109 -11.795 -12.917 -15.293 1.00 52.45 H new ATOM 0 HG SER A 109 -12.131 -10.934 -14.522 1.00 54.05 H new ATOM 1696 N GLN A 110 -12.944 -13.349 -17.636 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.454 -13.862 -18.910 1.00 42.33 C ATOM 1698 C GLN A 110 -11.319 -12.995 -19.445 1.00 70.12 C ATOM 1699 O GLN A 110 -11.552 -11.910 -19.979 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.591 -13.921 -19.931 1.00 72.44 C ATOM 1701 CG GLN A 110 -14.448 -12.667 -19.961 1.00 35.44 C ATOM 1702 CD GLN A 110 -15.624 -12.785 -20.911 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.667 -13.681 -21.754 1.00 14.10 O ATOM 1704 NE2 GLN A 110 -16.586 -11.880 -20.778 1.00 21.42 N ATOM 0 H GLN A 110 -12.916 -12.333 -17.551 1.00 73.42 H new ATOM 0 HA GLN A 110 -12.071 -14.869 -18.745 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -13.169 -14.087 -20.922 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -14.225 -14.779 -19.707 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -14.817 -12.460 -18.956 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -13.832 -11.818 -20.256 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -16.509 -11.155 -20.065 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -17.402 -11.910 -21.389 1.00 21.42 H new ATOM 1713 N VAL A 111 -10.090 -13.480 -19.298 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.919 -12.750 -19.767 1.00 4.43 C ATOM 1715 C VAL A 111 -8.625 -13.065 -21.229 1.00 3.33 C ATOM 1716 O VAL A 111 -8.756 -14.208 -21.667 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.675 -13.081 -18.922 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.457 -12.339 -19.448 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.922 -12.747 -17.458 1.00 22.25 C ATOM 0 H VAL A 111 -9.880 -14.376 -18.858 1.00 61.10 H new ATOM 0 HA VAL A 111 -9.146 -11.689 -19.665 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.479 -14.150 -19.000 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.589 -12.586 -18.837 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -6.270 -12.633 -20.481 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.638 -11.265 -19.403 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -7.033 -12.987 -16.875 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -8.144 -11.684 -17.360 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.766 -13.330 -17.089 1.00 22.25 H new ATOM 1729 N ILE A 112 -8.225 -12.044 -21.980 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.910 -12.212 -23.393 1.00 13.53 C ATOM 1731 C ILE A 112 -6.556 -11.598 -23.732 1.00 35.44 C ATOM 1732 O ILE A 112 -6.412 -10.378 -23.786 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.988 -11.575 -24.290 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -10.384 -11.994 -23.823 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.768 -11.969 -25.743 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.502 -11.366 -24.624 1.00 11.41 C ATOM 0 H ILE A 112 -8.111 -11.092 -21.633 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.878 -13.285 -23.583 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.910 -10.491 -24.213 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -10.469 -13.079 -23.885 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.504 -11.724 -22.774 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.538 -11.511 -26.365 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.786 -11.625 -26.069 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.822 -13.053 -25.838 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.462 -11.707 -24.238 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.443 -10.281 -24.542 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -11.408 -11.657 -25.670 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.565 -12.455 -23.959 1.00 53.21 N ATOM 1749 CA GLY A 113 -4.234 -11.978 -24.291 1.00 14.23 C ATOM 1750 C GLY A 113 -3.257 -12.142 -23.145 1.00 44.34 C ATOM 1751 O GLY A 113 -3.561 -12.802 -22.151 1.00 21.13 O ATOM 0 H GLY A 113 -5.659 -13.470 -23.919 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.863 -12.521 -25.161 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -4.288 -10.926 -24.571 1.00 14.23 H new ATOM 1755 N ALA A 114 -2.078 -11.544 -23.284 1.00 2.12 N ATOM 1756 CA ALA A 114 -1.053 -11.627 -22.251 1.00 50.23 C ATOM 1757 C ALA A 114 -1.009 -10.351 -21.417 1.00 73.31 C ATOM 1758 O ALA A 114 -0.323 -9.391 -21.770 1.00 1.34 O ATOM 1759 CB ALA A 114 0.306 -11.897 -22.878 1.00 34.24 C ATOM 0 H ALA A 114 -1.809 -10.997 -24.102 1.00 2.12 H new ATOM 0 HA ALA A 114 -1.306 -12.454 -21.588 1.00 50.23 H new ATOM 0 HB1 ALA A 114 1.062 -11.957 -22.095 1.00 34.24 H new ATOM 0 HB2 ALA A 114 0.274 -12.840 -23.424 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.557 -11.088 -23.564 1.00 34.24 H new ATOM 1765 N ASP A 115 -1.746 -10.347 -20.312 1.00 11.22 N ATOM 1766 CA ASP A 115 -1.790 -9.188 -19.428 1.00 33.14 C ATOM 1767 C ASP A 115 -1.695 -9.616 -17.967 1.00 50.50 C ATOM 1768 O ASP A 115 -2.705 -9.910 -17.328 1.00 41.34 O ATOM 1769 CB ASP A 115 -3.079 -8.395 -19.655 1.00 73.33 C ATOM 1770 CG ASP A 115 -2.956 -7.409 -20.800 1.00 45.55 C ATOM 1771 OD1 ASP A 115 -2.354 -7.771 -21.833 1.00 51.32 O ATOM 1772 OD2 ASP A 115 -3.461 -6.275 -20.664 1.00 15.43 O ATOM 0 H ASP A 115 -2.321 -11.133 -20.007 1.00 11.22 H new ATOM 0 HA ASP A 115 -0.935 -8.553 -19.660 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -3.896 -9.086 -19.860 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -3.338 -7.858 -18.742 1.00 73.33 H new ATOM 1777 N ILE A 116 -0.473 -9.648 -17.444 1.00 43.41 N ATOM 1778 CA ILE A 116 -0.245 -10.040 -16.059 1.00 44.52 C ATOM 1779 C ILE A 116 -0.986 -9.118 -15.098 1.00 11.00 C ATOM 1780 O ILE A 116 -1.580 -9.571 -14.119 1.00 0.15 O ATOM 1781 CB ILE A 116 1.255 -10.029 -15.710 1.00 1.13 C ATOM 1782 CG1 ILE A 116 1.461 -10.395 -14.239 1.00 20.02 C ATOM 1783 CG2 ILE A 116 1.858 -8.666 -16.013 1.00 15.41 C ATOM 1784 CD1 ILE A 116 0.933 -11.765 -13.876 1.00 45.32 C ATOM 0 H ILE A 116 0.374 -9.407 -17.959 1.00 43.41 H new ATOM 0 HA ILE A 116 -0.627 -11.055 -15.952 1.00 44.52 H new ATOM 0 HB ILE A 116 1.762 -10.773 -16.324 1.00 1.13 H new ATOM 0 HG12 ILE A 116 2.525 -10.352 -14.008 1.00 20.02 H new ATOM 0 HG13 ILE A 116 0.969 -9.648 -13.615 1.00 20.02 H new ATOM 0 HG21 ILE A 116 2.919 -8.673 -15.761 1.00 15.41 H new ATOM 0 HG22 ILE A 116 1.738 -8.443 -17.073 1.00 15.41 H new ATOM 0 HG23 ILE A 116 1.350 -7.904 -15.422 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.114 -11.956 -12.818 1.00 45.32 H new ATOM 0 HD12 ILE A 116 -0.138 -11.806 -14.074 1.00 45.32 H new ATOM 0 HD13 ILE A 116 1.442 -12.521 -14.473 1.00 45.32 H new ATOM 1796 N SER A 117 -0.949 -7.820 -15.384 1.00 21.43 N ATOM 1797 CA SER A 117 -1.615 -6.832 -14.544 1.00 43.32 C ATOM 1798 C SER A 117 -3.126 -7.037 -14.559 1.00 21.20 C ATOM 1799 O SER A 117 -3.837 -6.577 -13.665 1.00 13.41 O ATOM 1800 CB SER A 117 -1.276 -5.418 -15.017 1.00 12.44 C ATOM 1801 OG SER A 117 -2.260 -4.489 -14.596 1.00 62.05 O ATOM 0 H SER A 117 -0.464 -7.428 -16.192 1.00 21.43 H new ATOM 0 HA SER A 117 -1.258 -6.961 -13.522 1.00 43.32 H new ATOM 0 HB2 SER A 117 -0.302 -5.124 -14.625 1.00 12.44 H new ATOM 0 HB3 SER A 117 -1.199 -5.404 -16.104 1.00 12.44 H new ATOM 0 HG SER A 117 -2.019 -3.592 -14.910 1.00 62.05 H new ATOM 1807 N LYS A 118 -3.612 -7.734 -15.581 1.00 15.20 N ATOM 1808 CA LYS A 118 -5.039 -8.003 -15.715 1.00 45.15 C ATOM 1809 C LYS A 118 -5.435 -9.244 -14.923 1.00 64.05 C ATOM 1810 O LYS A 118 -6.297 -9.184 -14.046 1.00 21.20 O ATOM 1811 CB LYS A 118 -5.409 -8.186 -17.189 1.00 45.12 C ATOM 1812 CG LYS A 118 -6.829 -8.681 -17.403 1.00 72.13 C ATOM 1813 CD LYS A 118 -7.845 -7.761 -16.747 1.00 21.24 C ATOM 1814 CE LYS A 118 -9.179 -7.794 -17.477 1.00 12.53 C ATOM 1815 NZ LYS A 118 -9.973 -6.557 -17.238 1.00 64.22 N ATOM 0 H LYS A 118 -3.038 -8.123 -16.329 1.00 15.20 H new ATOM 0 HA LYS A 118 -5.583 -7.148 -15.314 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -5.283 -7.235 -17.707 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -4.715 -8.892 -17.644 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -7.035 -8.749 -18.471 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -6.930 -9.687 -16.995 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -7.990 -8.059 -15.708 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -7.460 -6.741 -16.736 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -9.005 -7.913 -18.546 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -9.751 -8.662 -17.149 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -10.875 -6.618 -17.752 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -10.161 -6.457 -16.220 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -9.438 -5.731 -17.574 1.00 64.22 H new ATOM 1829 N ILE A 119 -4.799 -10.368 -15.236 1.00 65.15 N ATOM 1830 CA ILE A 119 -5.084 -11.623 -14.552 1.00 50.12 C ATOM 1831 C ILE A 119 -4.942 -11.469 -13.041 1.00 70.05 C ATOM 1832 O ILE A 119 -5.666 -12.102 -12.272 1.00 1.10 O ATOM 1833 CB ILE A 119 -4.152 -12.751 -15.031 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -2.734 -12.531 -14.500 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -4.147 -12.824 -16.552 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -2.444 -13.290 -13.224 1.00 60.34 C ATOM 0 H ILE A 119 -4.083 -10.435 -15.959 1.00 65.15 H new ATOM 0 HA ILE A 119 -6.113 -11.887 -14.794 1.00 50.12 H new ATOM 0 HB ILE A 119 -4.523 -13.699 -14.641 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -2.017 -12.833 -15.264 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -2.582 -11.466 -14.323 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -3.484 -13.626 -16.876 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -5.157 -13.022 -16.910 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -3.796 -11.876 -16.961 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -1.422 -13.088 -12.905 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -3.137 -12.971 -12.446 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -2.564 -14.359 -13.401 1.00 60.34 H new ATOM 1848 N ILE A 120 -4.004 -10.624 -12.623 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.769 -10.386 -11.205 1.00 1.51 C ATOM 1850 C ILE A 120 -4.864 -9.509 -10.606 1.00 62.35 C ATOM 1851 O ILE A 120 -5.237 -9.671 -9.444 1.00 43.52 O ATOM 1852 CB ILE A 120 -2.403 -9.717 -10.966 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -2.349 -8.355 -11.659 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -1.280 -10.615 -11.463 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -2.742 -7.203 -10.760 1.00 14.01 C ATOM 0 H ILE A 120 -3.395 -10.094 -13.247 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.778 -11.360 -10.715 1.00 1.51 H new ATOM 0 HB ILE A 120 -2.273 -9.563 -9.895 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -1.339 -8.186 -12.032 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -3.010 -8.371 -12.526 1.00 1.40 H new ATOM 0 HG21 ILE A 120 -0.320 -10.129 -11.287 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -1.309 -11.564 -10.928 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -1.405 -10.796 -12.531 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -2.681 -6.269 -11.318 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -3.763 -7.349 -10.407 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -2.066 -7.161 -9.906 1.00 14.01 H new ATOM 1867 N SER A 121 -5.376 -8.581 -11.408 1.00 0.12 N ATOM 1868 CA SER A 121 -6.426 -7.676 -10.957 1.00 73.21 C ATOM 1869 C SER A 121 -7.746 -8.420 -10.783 1.00 61.43 C ATOM 1870 O SER A 121 -8.524 -8.124 -9.877 1.00 43.23 O ATOM 1871 CB SER A 121 -6.602 -6.528 -11.953 1.00 52.11 C ATOM 1872 OG SER A 121 -7.886 -5.941 -11.833 1.00 1.41 O ATOM 0 H SER A 121 -5.081 -8.436 -12.373 1.00 0.12 H new ATOM 0 HA SER A 121 -6.129 -7.267 -9.991 1.00 73.21 H new ATOM 0 HB2 SER A 121 -5.836 -5.772 -11.781 1.00 52.11 H new ATOM 0 HB3 SER A 121 -6.462 -6.899 -12.968 1.00 52.11 H new ATOM 0 HG SER A 121 -7.973 -5.209 -12.479 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.992 -9.389 -11.660 1.00 41.41 N ATOM 1879 CA GLU A 122 -9.219 -10.176 -11.605 1.00 61.12 C ATOM 1880 C GLU A 122 -9.144 -11.221 -10.497 1.00 33.11 C ATOM 1881 O GLU A 122 -10.019 -11.289 -9.632 1.00 50.32 O ATOM 1882 CB GLU A 122 -9.473 -10.859 -12.950 1.00 22.41 C ATOM 1883 CG GLU A 122 -9.561 -9.892 -14.117 1.00 53.03 C ATOM 1884 CD GLU A 122 -10.644 -8.847 -13.930 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -10.345 -7.778 -13.358 1.00 35.23 O ATOM 1886 OE2 GLU A 122 -11.790 -9.100 -14.356 1.00 60.42 O ATOM 0 H GLU A 122 -7.358 -9.648 -12.416 1.00 41.41 H new ATOM 0 HA GLU A 122 -10.046 -9.500 -11.388 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -8.673 -11.574 -13.141 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -10.401 -11.428 -12.890 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -8.600 -9.394 -14.245 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -9.755 -10.451 -15.033 1.00 53.03 H new ATOM 1893 N ILE A 123 -8.095 -12.036 -10.528 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.906 -13.077 -9.527 1.00 54.04 C ATOM 1895 C ILE A 123 -7.949 -12.499 -8.116 1.00 62.52 C ATOM 1896 O ILE A 123 -8.746 -12.928 -7.282 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.568 -13.815 -9.726 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.565 -14.557 -11.064 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -6.320 -14.782 -8.578 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -5.181 -14.942 -11.538 1.00 24.43 C ATOM 0 H ILE A 123 -7.363 -11.995 -11.237 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.725 -13.786 -9.652 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.763 -13.080 -9.737 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -7.172 -15.457 -10.972 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -7.038 -13.929 -11.819 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.371 -15.295 -8.733 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -6.284 -14.230 -7.639 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -7.126 -15.514 -8.538 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -5.255 -15.464 -12.492 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.576 -14.044 -11.662 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.713 -15.596 -10.802 1.00 24.43 H new ATOM 1912 N ASN A 124 -7.087 -11.520 -7.858 1.00 75.21 N ATOM 1913 CA ASN A 124 -7.028 -10.881 -6.548 1.00 73.45 C ATOM 1914 C ASN A 124 -8.387 -10.304 -6.162 1.00 64.11 C ATOM 1915 O ASN A 124 -8.684 -10.128 -4.982 1.00 42.22 O ATOM 1916 CB ASN A 124 -5.972 -9.774 -6.545 1.00 11.21 C ATOM 1917 CG ASN A 124 -4.573 -10.309 -6.784 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -4.311 -11.498 -6.600 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -3.666 -9.431 -7.195 1.00 11.02 N ATOM 0 H ASN A 124 -6.421 -11.153 -8.538 1.00 75.21 H new ATOM 0 HA ASN A 124 -6.753 -11.638 -5.814 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -6.215 -9.042 -7.315 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -6.000 -9.252 -5.589 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -2.708 -9.732 -7.371 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -3.928 -8.455 -7.334 1.00 11.02 H new ATOM 1926 N ASN A 125 -9.207 -10.012 -7.167 1.00 51.03 N ATOM 1927 CA ASN A 125 -10.534 -9.455 -6.933 1.00 1.33 C ATOM 1928 C ASN A 125 -11.552 -10.563 -6.681 1.00 30.23 C ATOM 1929 O ASN A 125 -12.569 -10.347 -6.024 1.00 34.25 O ATOM 1930 CB ASN A 125 -10.972 -8.607 -8.128 1.00 2.44 C ATOM 1931 CG ASN A 125 -10.625 -7.140 -7.955 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -10.450 -6.661 -6.834 1.00 75.13 O ATOM 1933 ND2 ASN A 125 -10.527 -6.420 -9.065 1.00 2.34 N ATOM 0 H ASN A 125 -8.976 -10.152 -8.151 1.00 51.03 H new ATOM 0 HA ASN A 125 -10.484 -8.823 -6.046 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -10.496 -8.986 -9.033 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -12.048 -8.709 -8.267 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -10.298 -5.427 -9.011 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -10.680 -6.859 -9.973 1.00 2.34 H new ATOM 1940 N ASN A 126 -11.270 -11.749 -7.208 1.00 22.12 N ATOM 1941 CA ASN A 126 -12.160 -12.892 -7.041 1.00 5.34 C ATOM 1942 C ASN A 126 -11.624 -13.850 -5.982 1.00 72.44 C ATOM 1943 O ASN A 126 -12.119 -14.968 -5.834 1.00 24.00 O ATOM 1944 CB ASN A 126 -12.334 -13.629 -8.371 1.00 64.41 C ATOM 1945 CG ASN A 126 -12.502 -12.679 -9.541 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -13.114 -11.618 -9.411 1.00 60.44 O ATOM 1947 ND2 ASN A 126 -11.957 -13.056 -10.692 1.00 44.34 N ATOM 0 H ASN A 126 -10.431 -11.944 -7.755 1.00 22.12 H new ATOM 0 HA ASN A 126 -13.130 -12.520 -6.710 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -11.467 -14.267 -8.546 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -13.204 -14.283 -8.310 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -12.037 -12.458 -11.514 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -11.459 -13.944 -10.754 1.00 44.34 H new ATOM 1954 N ILE A 127 -10.609 -13.404 -5.248 1.00 64.21 N ATOM 1955 CA ILE A 127 -10.007 -14.221 -4.202 1.00 53.31 C ATOM 1956 C ILE A 127 -10.509 -13.807 -2.823 1.00 13.41 C ATOM 1957 O ILE A 127 -10.682 -12.621 -2.545 1.00 22.03 O ATOM 1958 CB ILE A 127 -8.470 -14.124 -4.227 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.890 -15.124 -5.230 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -7.901 -14.369 -2.837 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -6.381 -15.088 -5.315 1.00 51.21 C ATOM 0 H ILE A 127 -10.187 -12.482 -5.359 1.00 64.21 H new ATOM 0 HA ILE A 127 -10.301 -15.252 -4.398 1.00 53.31 H new ATOM 0 HB ILE A 127 -8.189 -13.119 -4.541 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -8.206 -16.130 -4.952 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -8.306 -14.920 -6.216 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -6.814 -14.297 -2.871 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -8.293 -13.622 -2.147 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -8.188 -15.364 -2.496 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -6.040 -15.822 -6.045 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -6.058 -14.094 -5.623 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.956 -15.322 -4.339 1.00 51.21 H new ATOM 1973 N ASN A 128 -10.741 -14.793 -1.962 1.00 2.43 N ATOM 1974 CA ASN A 128 -11.222 -14.531 -0.611 1.00 53.34 C ATOM 1975 C ASN A 128 -10.358 -13.479 0.080 1.00 63.41 C ATOM 1976 O ASN A 128 -10.855 -12.439 0.510 1.00 72.01 O ATOM 1977 CB ASN A 128 -11.228 -15.821 0.210 1.00 3.42 C ATOM 1978 CG ASN A 128 -9.847 -16.193 0.714 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -8.934 -16.470 -0.210 1.00 54.30 O flip ATOM 1980 ND2 ASN A 128 -9.603 -16.229 1.921 1.00 25.45 N flip ATOM 0 H ASN A 128 -10.603 -15.781 -2.176 1.00 2.43 H new ATOM 0 HA ASN A 128 -12.240 -14.149 -0.683 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -11.902 -15.705 1.059 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -11.620 -16.635 -0.400 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -10.335 -16.009 2.596 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -8.669 -16.479 2.245 1.00 25.45 H new