USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=18 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 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.672 X(o=-0.67,f=-1.1) 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+ 152:sc= -0.651 (180deg=-1.79) 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 -149:sc= -0.0779 USER MOD Single : A 39 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.39) USER MOD Single : A 41 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.015) USER MOD Single : A 62 GLN : amide:sc= -2.2 X(o=-2.2,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0129 (180deg=-0.189) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc=-0.00951 K(o=-0.0095,f=-0.85) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.567 K(o=0.57,f=-0.15) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 1.13 (180deg=0.133) USER MOD Single : A 98 THR OG1 : rot 19:sc= 0.28 USER MOD Single : A 101 MET CE :methyl 143:sc= -2.83 (180deg=-6.91!) USER MOD Single : A 103 LYS NZ :NH3+ -126:sc= -2.08! (180deg=-5.34!) USER MOD Single : A 104 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.51) 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 58:sc= 0.685 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= -0.0142 (180deg=-0.137) USER MOD Single : A 121 SER OG : rot 102:sc= 1.21 USER MOD Single : A 124 ASN : amide:sc= -0.987 X(o=-0.99,f=-1.2) USER MOD Single : A 125 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.2!) USER MOD Single : A 126 ASN : amide:sc= -4.54 K(o=-4.5,f=-10!) USER MOD Single : A 128 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 -0.723 -27.659 -13.887 1.00 52.50 N ATOM 317 CA ILE A 23 -1.650 -27.490 -15.000 1.00 71.21 C ATOM 318 C ILE A 23 -1.830 -28.795 -15.768 1.00 10.42 C ATOM 319 O ILE A 23 -0.857 -29.403 -16.212 1.00 53.52 O ATOM 320 CB ILE A 23 -1.168 -26.397 -15.972 1.00 41.35 C ATOM 321 CG1 ILE A 23 -1.042 -25.056 -15.246 1.00 13.10 C ATOM 322 CG2 ILE A 23 -2.124 -26.278 -17.150 1.00 73.31 C ATOM 323 CD1 ILE A 23 -0.474 -23.952 -16.109 1.00 74.23 C ATOM 0 HA ILE A 23 -2.606 -27.188 -14.572 1.00 71.21 H new ATOM 0 HB ILE A 23 -0.185 -26.677 -16.351 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -2.025 -24.754 -14.885 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -0.406 -25.185 -14.370 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -1.770 -25.502 -17.829 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -2.169 -27.230 -17.680 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.118 -26.017 -16.787 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -0.413 -23.031 -15.529 1.00 74.23 H new ATOM 0 HD12 ILE A 23 0.523 -24.233 -16.449 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -1.121 -23.795 -16.972 1.00 74.23 H new ATOM 335 N GLU A 24 -3.081 -29.217 -15.922 1.00 71.32 N ATOM 336 CA GLU A 24 -3.388 -30.450 -16.638 1.00 63.12 C ATOM 337 C GLU A 24 -4.510 -30.226 -17.648 1.00 45.22 C ATOM 338 O GLU A 24 -5.320 -29.312 -17.499 1.00 40.33 O ATOM 339 CB GLU A 24 -3.784 -31.552 -15.654 1.00 43.20 C ATOM 340 CG GLU A 24 -5.265 -31.561 -15.314 1.00 24.25 C ATOM 341 CD GLU A 24 -5.532 -31.972 -13.880 1.00 12.10 C ATOM 342 OE1 GLU A 24 -4.720 -31.616 -12.999 1.00 51.31 O ATOM 343 OE2 GLU A 24 -6.554 -32.648 -13.636 1.00 52.34 O ATOM 0 H GLU A 24 -3.898 -28.724 -15.561 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.493 -30.760 -17.178 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -3.511 -32.519 -16.076 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -3.210 -31.431 -14.736 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -5.679 -30.568 -15.486 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -5.784 -32.244 -15.986 1.00 24.25 H new ATOM 350 N GLN A 25 -4.550 -31.069 -18.675 1.00 72.41 N ATOM 351 CA GLN A 25 -5.571 -30.963 -19.711 1.00 70.32 C ATOM 352 C GLN A 25 -6.871 -31.621 -19.261 1.00 34.23 C ATOM 353 O GLN A 25 -6.857 -32.629 -18.555 1.00 3.23 O ATOM 354 CB GLN A 25 -5.081 -31.609 -21.008 1.00 62.23 C ATOM 355 CG GLN A 25 -4.597 -33.039 -20.830 1.00 24.51 C ATOM 356 CD GLN A 25 -3.093 -33.128 -20.657 1.00 33.21 C ATOM 357 OE1 GLN A 25 -2.600 -33.516 -19.596 1.00 64.03 O ATOM 358 NE2 GLN A 25 -2.354 -32.769 -21.700 1.00 41.21 N ATOM 0 H GLN A 25 -3.888 -31.833 -18.812 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.763 -29.905 -19.891 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -5.890 -31.596 -21.739 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -4.270 -31.008 -21.420 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -5.086 -33.479 -19.960 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -4.895 -33.630 -21.696 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -2.804 -32.454 -22.559 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -1.336 -32.808 -21.642 1.00 41.21 H new ATOM 367 N ILE A 26 -7.994 -31.043 -19.675 1.00 31.52 N ATOM 368 CA ILE A 26 -9.303 -31.573 -19.314 1.00 43.51 C ATOM 369 C ILE A 26 -10.183 -31.751 -20.547 1.00 72.10 C ATOM 370 O ILE A 26 -9.748 -31.509 -21.673 1.00 74.50 O ATOM 371 CB ILE A 26 -10.026 -30.656 -18.311 1.00 53.31 C ATOM 372 CG1 ILE A 26 -10.202 -29.255 -18.902 1.00 70.00 C ATOM 373 CG2 ILE A 26 -9.254 -30.591 -17.001 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.646 -28.879 -19.146 1.00 44.33 C ATOM 0 H ILE A 26 -8.023 -30.208 -20.260 1.00 31.52 H new ATOM 0 HA ILE A 26 -9.132 -32.543 -18.848 1.00 43.51 H new ATOM 0 HB ILE A 26 -11.013 -31.071 -18.108 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -9.754 -28.526 -18.227 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.656 -29.195 -19.843 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -9.778 -29.939 -16.302 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -9.176 -31.591 -16.575 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -8.255 -30.196 -17.187 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.694 -27.874 -19.565 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -12.093 -29.586 -19.845 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.193 -28.906 -18.204 1.00 44.33 H new ATOM 386 N GLY A 27 -11.423 -32.174 -20.327 1.00 34.03 N ATOM 387 CA GLY A 27 -12.346 -32.375 -21.429 1.00 51.40 C ATOM 388 C GLY A 27 -13.644 -31.614 -21.247 1.00 43.34 C ATOM 389 O GLY A 27 -13.903 -31.063 -20.177 1.00 62.43 O ATOM 0 H GLY A 27 -11.806 -32.381 -19.405 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -11.871 -32.060 -22.358 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.563 -33.439 -21.527 1.00 51.40 H new ATOM 393 N ASP A 28 -14.460 -31.580 -22.294 1.00 72.03 N ATOM 394 CA ASP A 28 -15.738 -30.879 -22.245 1.00 72.25 C ATOM 395 C ASP A 28 -16.690 -31.554 -21.263 1.00 30.43 C ATOM 396 O ASP A 28 -17.452 -30.887 -20.564 1.00 45.30 O ATOM 397 CB ASP A 28 -16.370 -30.829 -23.636 1.00 20.12 C ATOM 398 CG ASP A 28 -17.809 -30.352 -23.602 1.00 62.32 C ATOM 399 OD1 ASP A 28 -18.026 -29.124 -23.523 1.00 15.13 O ATOM 400 OD2 ASP A 28 -18.719 -31.206 -23.653 1.00 61.43 O ATOM 0 H ASP A 28 -14.260 -32.030 -23.187 1.00 72.03 H new ATOM 0 HA ASP A 28 -15.554 -29.861 -21.902 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -15.786 -30.166 -24.274 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -16.330 -31.821 -24.086 1.00 20.12 H new ATOM 405 N SER A 29 -16.642 -32.881 -21.218 1.00 34.14 N ATOM 406 CA SER A 29 -17.505 -33.647 -20.326 1.00 40.21 C ATOM 407 C SER A 29 -16.947 -33.655 -18.906 1.00 24.42 C ATOM 408 O SER A 29 -17.681 -33.865 -17.941 1.00 3.01 O ATOM 409 CB SER A 29 -17.655 -35.082 -20.835 1.00 63.34 C ATOM 410 OG SER A 29 -18.792 -35.709 -20.267 1.00 42.24 O ATOM 0 H SER A 29 -16.015 -33.448 -21.788 1.00 34.14 H new ATOM 0 HA SER A 29 -18.485 -33.170 -20.311 1.00 40.21 H new ATOM 0 HB2 SER A 29 -17.743 -35.078 -21.921 1.00 63.34 H new ATOM 0 HB3 SER A 29 -16.760 -35.654 -20.589 1.00 63.34 H new ATOM 0 HG SER A 29 -18.866 -36.624 -20.610 1.00 42.24 H new ATOM 416 N GLU A 30 -15.642 -33.427 -18.788 1.00 3.41 N ATOM 417 CA GLU A 30 -14.986 -33.409 -17.486 1.00 21.44 C ATOM 418 C GLU A 30 -14.949 -31.995 -16.914 1.00 70.14 C ATOM 419 O GLU A 30 -14.692 -31.799 -15.726 1.00 61.05 O ATOM 420 CB GLU A 30 -13.563 -33.961 -17.600 1.00 71.22 C ATOM 421 CG GLU A 30 -13.426 -35.084 -18.615 1.00 52.14 C ATOM 422 CD GLU A 30 -14.515 -36.130 -18.478 1.00 63.22 C ATOM 423 OE1 GLU A 30 -14.939 -36.401 -17.335 1.00 33.44 O ATOM 424 OE2 GLU A 30 -14.945 -36.677 -19.516 1.00 62.15 O ATOM 0 H GLU A 30 -15.020 -33.253 -19.577 1.00 3.41 H new ATOM 0 HA GLU A 30 -15.561 -34.041 -16.810 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -12.888 -33.150 -17.875 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -13.244 -34.324 -16.623 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.454 -34.665 -19.621 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -12.453 -35.560 -18.495 1.00 52.14 H new ATOM 431 N PHE A 31 -15.210 -31.011 -17.769 1.00 51.15 N ATOM 432 CA PHE A 31 -15.206 -29.614 -17.351 1.00 15.33 C ATOM 433 C PHE A 31 -15.956 -29.439 -16.033 1.00 52.25 C ATOM 434 O PHE A 31 -15.349 -29.198 -14.988 1.00 53.02 O ATOM 435 CB PHE A 31 -15.838 -28.734 -18.431 1.00 75.15 C ATOM 436 CG PHE A 31 -16.108 -27.328 -17.977 1.00 65.24 C ATOM 437 CD1 PHE A 31 -15.062 -26.475 -17.660 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.407 -26.858 -17.867 1.00 72.53 C ATOM 439 CE1 PHE A 31 -15.307 -25.181 -17.241 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.658 -25.565 -17.449 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.607 -24.725 -17.137 1.00 13.43 C ATOM 0 H PHE A 31 -15.427 -31.156 -18.755 1.00 51.15 H new ATOM 0 HA PHE A 31 -14.170 -29.308 -17.203 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -15.178 -28.707 -19.298 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -16.774 -29.188 -18.757 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -14.044 -26.826 -17.741 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.233 -27.510 -18.111 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.483 -24.527 -16.995 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.675 -25.212 -17.366 1.00 51.23 H new ATOM 0 HZ PHE A 31 -16.801 -23.713 -16.812 1.00 13.43 H new ATOM 451 N ASP A 32 -17.277 -29.560 -16.091 1.00 14.24 N ATOM 452 CA ASP A 32 -18.110 -29.416 -14.902 1.00 72.32 C ATOM 453 C ASP A 32 -17.869 -30.564 -13.926 1.00 72.42 C ATOM 454 O ASP A 32 -18.090 -30.426 -12.725 1.00 33.44 O ATOM 455 CB ASP A 32 -19.589 -29.365 -15.293 1.00 63.01 C ATOM 456 CG ASP A 32 -19.973 -30.478 -16.248 1.00 24.01 C ATOM 457 OD1 ASP A 32 -20.306 -31.582 -15.769 1.00 24.23 O ATOM 458 OD2 ASP A 32 -19.942 -30.243 -17.475 1.00 50.53 O ATOM 0 H ASP A 32 -17.794 -29.757 -16.948 1.00 14.24 H new ATOM 0 HA ASP A 32 -17.839 -28.482 -14.410 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.202 -29.433 -14.394 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -19.807 -28.402 -15.755 1.00 63.01 H new ATOM 463 N ASN A 33 -17.414 -31.696 -14.454 1.00 0.41 N ATOM 464 CA ASN A 33 -17.144 -32.868 -13.629 1.00 71.43 C ATOM 465 C ASN A 33 -16.148 -32.537 -12.522 1.00 5.31 C ATOM 466 O ASN A 33 -16.213 -33.093 -11.425 1.00 42.22 O ATOM 467 CB ASN A 33 -16.604 -34.010 -14.492 1.00 3.30 C ATOM 468 CG ASN A 33 -16.963 -35.375 -13.935 1.00 61.22 C ATOM 469 OD1 ASN A 33 -17.965 -35.973 -14.326 1.00 43.52 O ATOM 470 ND2 ASN A 33 -16.143 -35.873 -13.017 1.00 2.02 N ATOM 0 H ASN A 33 -17.225 -31.826 -15.448 1.00 0.41 H new ATOM 0 HA ASN A 33 -18.081 -33.181 -13.168 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -17.001 -33.917 -15.503 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -15.520 -33.924 -14.566 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -16.333 -36.787 -12.606 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -15.324 -35.342 -12.723 1.00 2.02 H new ATOM 477 N LYS A 34 -15.227 -31.626 -12.816 1.00 61.14 N ATOM 478 CA LYS A 34 -14.218 -31.218 -11.847 1.00 61.34 C ATOM 479 C LYS A 34 -14.390 -29.751 -11.466 1.00 34.21 C ATOM 480 O LYS A 34 -13.843 -29.290 -10.464 1.00 0.52 O ATOM 481 CB LYS A 34 -12.814 -31.448 -12.413 1.00 4.45 C ATOM 482 CG LYS A 34 -12.588 -30.790 -13.763 1.00 54.12 C ATOM 483 CD LYS A 34 -12.012 -31.770 -14.772 1.00 72.43 C ATOM 484 CE LYS A 34 -10.554 -32.082 -14.475 1.00 73.13 C ATOM 485 NZ LYS A 34 -10.413 -33.124 -13.420 1.00 34.51 N ATOM 0 H LYS A 34 -15.159 -31.156 -13.719 1.00 61.14 H new ATOM 0 HA LYS A 34 -14.346 -31.825 -10.951 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -12.079 -31.067 -11.705 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -12.640 -32.520 -12.507 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.531 -30.393 -14.138 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -11.910 -29.944 -13.648 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -12.593 -32.692 -14.758 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -12.099 -31.354 -15.776 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -10.062 -32.420 -15.387 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.045 -31.172 -14.157 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -9.523 -33.643 -13.561 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -10.405 -32.671 -12.484 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -11.213 -33.787 -13.477 1.00 34.51 H new ATOM 499 N VAL A 35 -15.156 -29.022 -12.272 1.00 34.33 N ATOM 500 CA VAL A 35 -15.402 -27.607 -12.018 1.00 51.44 C ATOM 501 C VAL A 35 -16.617 -27.414 -11.118 1.00 12.33 C ATOM 502 O VAL A 35 -16.531 -26.779 -10.065 1.00 34.24 O ATOM 503 CB VAL A 35 -15.622 -26.831 -13.331 1.00 22.45 C ATOM 504 CG1 VAL A 35 -16.233 -25.467 -13.049 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.312 -26.692 -14.092 1.00 15.43 C ATOM 0 H VAL A 35 -15.616 -29.387 -13.106 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.516 -27.216 -11.517 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.319 -27.392 -13.953 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.381 -24.934 -13.988 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -17.193 -25.595 -12.549 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.563 -24.894 -12.408 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.485 -26.142 -15.017 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.590 -26.153 -13.478 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -13.921 -27.682 -14.327 1.00 15.43 H new ATOM 515 N THR A 36 -17.751 -27.967 -11.536 1.00 23.22 N ATOM 516 CA THR A 36 -18.985 -27.856 -10.768 1.00 25.31 C ATOM 517 C THR A 36 -18.834 -28.493 -9.391 1.00 21.25 C ATOM 518 O THR A 36 -19.590 -28.186 -8.469 1.00 61.41 O ATOM 519 CB THR A 36 -20.166 -28.520 -11.502 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.368 -27.780 -11.265 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.349 -29.958 -11.041 1.00 14.11 C ATOM 0 H THR A 36 -17.840 -28.497 -12.403 1.00 23.22 H new ATOM 0 HA THR A 36 -19.191 -26.792 -10.653 1.00 25.31 H new ATOM 0 HB THR A 36 -19.947 -28.523 -12.570 1.00 24.40 H new ATOM 0 HG1 THR A 36 -22.114 -28.207 -11.736 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.188 -30.407 -11.573 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.442 -30.525 -11.250 1.00 14.11 H new ATOM 0 HG23 THR A 36 -20.548 -29.974 -9.969 1.00 14.11 H new ATOM 529 N SER A 37 -17.855 -29.381 -9.258 1.00 14.22 N ATOM 530 CA SER A 37 -17.608 -30.064 -7.995 1.00 52.32 C ATOM 531 C SER A 37 -16.748 -29.204 -7.072 1.00 53.20 C ATOM 532 O SER A 37 -16.772 -29.369 -5.852 1.00 32.53 O ATOM 533 CB SER A 37 -16.922 -31.409 -8.242 1.00 12.31 C ATOM 534 OG SER A 37 -17.047 -32.259 -7.115 1.00 23.30 O ATOM 0 H SER A 37 -17.219 -29.644 -10.011 1.00 14.22 H new ATOM 0 HA SER A 37 -18.569 -30.239 -7.511 1.00 52.32 H new ATOM 0 HB2 SER A 37 -17.362 -31.890 -9.115 1.00 12.31 H new ATOM 0 HB3 SER A 37 -15.867 -31.248 -8.465 1.00 12.31 H new ATOM 0 HG SER A 37 -16.602 -33.113 -7.298 1.00 23.30 H new ATOM 540 N CYS A 38 -15.991 -28.288 -7.664 1.00 31.15 N ATOM 541 CA CYS A 38 -15.122 -27.402 -6.897 1.00 55.44 C ATOM 542 C CYS A 38 -15.918 -26.637 -5.845 1.00 24.01 C ATOM 543 O CYS A 38 -16.579 -25.645 -6.152 1.00 1.31 O ATOM 544 CB CYS A 38 -14.409 -26.421 -7.828 1.00 50.43 C ATOM 545 SG CYS A 38 -13.146 -25.415 -7.014 1.00 51.34 S ATOM 0 H CYS A 38 -15.961 -28.139 -8.673 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.378 -28.015 -6.389 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -13.945 -26.980 -8.640 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -15.150 -25.760 -8.278 1.00 50.43 H new ATOM 0 HG CYS A 38 -13.066 -24.259 -7.603 1.00 51.34 H new ATOM 551 N ASN A 39 -15.852 -27.106 -4.603 1.00 43.53 N ATOM 552 CA ASN A 39 -16.569 -26.467 -3.506 1.00 34.53 C ATOM 553 C ASN A 39 -15.620 -25.641 -2.644 1.00 40.14 C ATOM 554 O ASN A 39 -15.960 -25.248 -1.528 1.00 34.52 O ATOM 555 CB ASN A 39 -17.271 -27.521 -2.646 1.00 62.21 C ATOM 556 CG ASN A 39 -18.241 -26.905 -1.654 1.00 2.12 C ATOM 557 OD1 ASN A 39 -19.203 -26.243 -2.041 1.00 62.30 O ATOM 558 ND2 ASN A 39 -17.989 -27.122 -0.369 1.00 54.11 N ATOM 0 H ASN A 39 -15.309 -27.926 -4.331 1.00 43.53 H new ATOM 0 HA ASN A 39 -17.317 -25.799 -3.933 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -17.808 -28.215 -3.293 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -16.524 -28.102 -2.106 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -18.606 -26.733 0.344 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -17.179 -27.678 -0.095 1.00 54.11 H new ATOM 565 N ASP A 40 -14.427 -25.381 -3.169 1.00 45.34 N ATOM 566 CA ASP A 40 -13.428 -24.600 -2.448 1.00 20.02 C ATOM 567 C ASP A 40 -13.478 -23.134 -2.867 1.00 50.34 C ATOM 568 O ASP A 40 -12.616 -22.341 -2.492 1.00 73.13 O ATOM 569 CB ASP A 40 -12.030 -25.167 -2.698 1.00 44.11 C ATOM 570 CG ASP A 40 -11.846 -26.544 -2.089 1.00 41.31 C ATOM 571 OD1 ASP A 40 -12.828 -27.083 -1.534 1.00 41.24 O ATOM 572 OD2 ASP A 40 -10.723 -27.082 -2.169 1.00 0.11 O ATOM 0 H ASP A 40 -14.128 -25.700 -4.091 1.00 45.34 H new ATOM 0 HA ASP A 40 -13.652 -24.663 -1.383 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -11.850 -25.221 -3.772 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -11.286 -24.487 -2.283 1.00 44.11 H new ATOM 577 N ASN A 41 -14.494 -22.782 -3.650 1.00 64.15 N ATOM 578 CA ASN A 41 -14.656 -21.411 -4.122 1.00 33.45 C ATOM 579 C ASN A 41 -13.414 -20.946 -4.875 1.00 33.24 C ATOM 580 O ASN A 41 -13.067 -19.765 -4.851 1.00 50.23 O ATOM 581 CB ASN A 41 -14.934 -20.474 -2.945 1.00 65.20 C ATOM 582 CG ASN A 41 -16.327 -20.658 -2.376 1.00 23.13 C ATOM 583 OD1 ASN A 41 -16.499 -20.827 -1.168 1.00 25.31 O ATOM 584 ND2 ASN A 41 -17.331 -20.627 -3.244 1.00 63.34 N ATOM 0 H ASN A 41 -15.217 -23.427 -3.971 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.505 -21.386 -4.806 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -14.198 -20.652 -2.161 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -14.811 -19.441 -3.270 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -18.290 -20.746 -2.919 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -17.143 -20.484 -4.236 1.00 63.34 H new ATOM 591 N ILE A 42 -12.749 -21.882 -5.544 1.00 30.15 N ATOM 592 CA ILE A 42 -11.547 -21.566 -6.306 1.00 31.32 C ATOM 593 C ILE A 42 -11.872 -21.340 -7.779 1.00 41.34 C ATOM 594 O ILE A 42 -12.632 -22.098 -8.382 1.00 12.51 O ATOM 595 CB ILE A 42 -10.497 -22.688 -6.191 1.00 40.33 C ATOM 596 CG1 ILE A 42 -10.258 -23.044 -4.723 1.00 31.15 C ATOM 597 CG2 ILE A 42 -9.196 -22.267 -6.858 1.00 3.31 C ATOM 598 CD1 ILE A 42 -9.328 -24.221 -4.530 1.00 74.15 C ATOM 0 H ILE A 42 -13.022 -22.864 -5.574 1.00 30.15 H new ATOM 0 HA ILE A 42 -11.137 -20.649 -5.882 1.00 31.32 H new ATOM 0 HB ILE A 42 -10.875 -23.573 -6.703 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -9.844 -22.176 -4.210 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -11.215 -23.266 -4.251 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.465 -23.070 -6.768 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.378 -22.059 -7.912 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -8.812 -21.370 -6.372 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -9.205 -24.416 -3.465 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -9.750 -25.102 -5.014 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.358 -23.994 -4.972 1.00 74.15 H new ATOM 610 N LEU A 43 -11.293 -20.291 -8.352 1.00 40.54 N ATOM 611 CA LEU A 43 -11.520 -19.965 -9.756 1.00 63.50 C ATOM 612 C LEU A 43 -10.610 -20.789 -10.661 1.00 24.21 C ATOM 613 O LEU A 43 -9.386 -20.745 -10.534 1.00 62.32 O ATOM 614 CB LEU A 43 -11.281 -18.472 -9.997 1.00 50.44 C ATOM 615 CG LEU A 43 -9.993 -17.895 -9.409 1.00 62.42 C ATOM 616 CD1 LEU A 43 -9.313 -16.977 -10.413 1.00 51.24 C ATOM 617 CD2 LEU A 43 -10.285 -17.149 -8.115 1.00 42.21 C ATOM 0 H LEU A 43 -10.663 -19.652 -7.867 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.555 -20.206 -9.997 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -11.277 -18.294 -11.072 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -12.125 -17.918 -9.585 1.00 50.44 H new ATOM 0 HG LEU A 43 -9.317 -18.720 -9.185 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -8.398 -16.575 -9.977 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -9.069 -17.540 -11.314 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -9.984 -16.157 -10.668 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -9.357 -16.745 -7.711 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -10.980 -16.333 -8.314 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -10.728 -17.834 -7.392 1.00 42.21 H new ATOM 629 N ILE A 44 -11.217 -21.539 -11.575 1.00 21.31 N ATOM 630 CA ILE A 44 -10.462 -22.371 -12.503 1.00 65.53 C ATOM 631 C ILE A 44 -10.257 -21.661 -13.836 1.00 4.02 C ATOM 632 O ILE A 44 -11.213 -21.413 -14.573 1.00 24.12 O ATOM 633 CB ILE A 44 -11.167 -23.717 -12.754 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.266 -24.516 -11.453 1.00 74.33 C ATOM 635 CG2 ILE A 44 -10.425 -24.514 -13.816 1.00 30.21 C ATOM 636 CD1 ILE A 44 -12.550 -24.273 -10.690 1.00 1.45 C ATOM 0 H ILE A 44 -12.229 -21.587 -11.692 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.493 -22.559 -12.041 1.00 65.53 H new ATOM 0 HB ILE A 44 -12.176 -23.520 -13.115 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -11.184 -25.579 -11.682 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -10.420 -24.262 -10.815 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -10.936 -25.463 -13.982 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -10.402 -23.947 -14.746 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -9.405 -24.705 -13.482 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -12.551 -24.872 -9.779 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -12.624 -23.217 -10.430 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -13.401 -24.555 -11.310 1.00 1.45 H new ATOM 648 N LEU A 45 -9.006 -21.336 -14.143 1.00 43.35 N ATOM 649 CA LEU A 45 -8.675 -20.655 -15.390 1.00 3.23 C ATOM 650 C LEU A 45 -8.359 -21.662 -16.492 1.00 11.21 C ATOM 651 O LEU A 45 -7.264 -22.220 -16.542 1.00 74.13 O ATOM 652 CB LEU A 45 -7.483 -19.719 -15.182 1.00 44.40 C ATOM 653 CG LEU A 45 -7.822 -18.261 -14.871 1.00 62.25 C ATOM 654 CD1 LEU A 45 -7.754 -18.005 -13.374 1.00 40.02 C ATOM 655 CD2 LEU A 45 -6.882 -17.325 -15.617 1.00 41.32 C ATOM 0 H LEU A 45 -8.204 -21.533 -13.545 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.541 -20.068 -15.696 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -6.876 -20.112 -14.367 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -6.866 -19.744 -16.080 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.840 -18.065 -15.206 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -7.998 -16.962 -13.172 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -8.467 -18.651 -12.862 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -6.748 -18.218 -13.014 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -7.137 -16.291 -15.384 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -5.854 -17.522 -15.312 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -6.980 -17.490 -16.690 1.00 41.32 H new ATOM 667 N VAL A 46 -9.327 -21.886 -17.375 1.00 2.42 N ATOM 668 CA VAL A 46 -9.152 -22.823 -18.479 1.00 64.44 C ATOM 669 C VAL A 46 -8.828 -22.089 -19.776 1.00 14.45 C ATOM 670 O VAL A 46 -9.615 -21.271 -20.252 1.00 14.22 O ATOM 671 CB VAL A 46 -10.411 -23.684 -18.691 1.00 13.24 C ATOM 672 CG1 VAL A 46 -10.539 -24.722 -17.586 1.00 34.10 C ATOM 673 CG2 VAL A 46 -11.652 -22.806 -18.755 1.00 71.13 C ATOM 0 H VAL A 46 -10.240 -21.432 -17.348 1.00 2.42 H new ATOM 0 HA VAL A 46 -8.318 -23.472 -18.213 1.00 64.44 H new ATOM 0 HB VAL A 46 -10.316 -24.209 -19.642 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -11.434 -25.321 -17.752 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -9.662 -25.370 -17.592 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -10.612 -24.220 -16.622 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -12.532 -23.431 -18.905 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -11.755 -22.253 -17.822 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.559 -22.105 -19.584 1.00 71.13 H new ATOM 683 N ASP A 47 -7.664 -22.387 -20.343 1.00 71.33 N ATOM 684 CA ASP A 47 -7.236 -21.757 -21.587 1.00 75.44 C ATOM 685 C ASP A 47 -7.649 -22.596 -22.791 1.00 44.42 C ATOM 686 O ASP A 47 -8.114 -23.726 -22.644 1.00 2.15 O ATOM 687 CB ASP A 47 -5.720 -21.555 -21.585 1.00 2.13 C ATOM 688 CG ASP A 47 -4.973 -22.778 -22.081 1.00 51.30 C ATOM 689 OD1 ASP A 47 -5.405 -23.906 -21.764 1.00 25.30 O ATOM 690 OD2 ASP A 47 -3.958 -22.607 -22.788 1.00 35.11 O ATOM 0 H ASP A 47 -7.000 -23.061 -19.961 1.00 71.33 H new ATOM 0 HA ASP A 47 -7.724 -20.785 -21.661 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.469 -20.700 -22.213 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -5.389 -21.316 -20.574 1.00 2.13 H new ATOM 695 N PHE A 48 -7.479 -22.034 -23.984 1.00 52.31 N ATOM 696 CA PHE A 48 -7.836 -22.729 -25.215 1.00 61.22 C ATOM 697 C PHE A 48 -6.588 -23.203 -25.953 1.00 3.21 C ATOM 698 O PHE A 48 -6.271 -24.393 -25.959 1.00 44.32 O ATOM 699 CB PHE A 48 -8.663 -21.815 -26.121 1.00 14.53 C ATOM 700 CG PHE A 48 -8.948 -22.408 -27.471 1.00 12.12 C ATOM 701 CD1 PHE A 48 -9.986 -23.310 -27.641 1.00 52.21 C ATOM 702 CD2 PHE A 48 -8.178 -22.064 -28.570 1.00 11.40 C ATOM 703 CE1 PHE A 48 -10.253 -23.856 -28.881 1.00 54.22 C ATOM 704 CE2 PHE A 48 -8.440 -22.608 -29.814 1.00 0.41 C ATOM 705 CZ PHE A 48 -9.477 -23.506 -29.969 1.00 2.15 C ATOM 0 H PHE A 48 -7.096 -21.099 -24.124 1.00 52.31 H new ATOM 0 HA PHE A 48 -8.433 -23.602 -24.950 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -9.607 -21.585 -25.627 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -8.134 -20.871 -26.252 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -10.594 -23.590 -26.793 1.00 52.21 H new ATOM 0 HD2 PHE A 48 -7.364 -21.363 -28.454 1.00 11.40 H new ATOM 0 HE1 PHE A 48 -11.067 -24.556 -29.000 1.00 54.22 H new ATOM 0 HE2 PHE A 48 -7.834 -22.331 -30.664 1.00 0.41 H new ATOM 0 HZ PHE A 48 -9.681 -23.934 -30.939 1.00 2.15 H new ATOM 884 N GLU A 60 3.099 -18.801 -21.776 1.00 12.25 N ATOM 885 CA GLU A 60 3.225 -17.721 -20.804 1.00 32.45 C ATOM 886 C GLU A 60 3.454 -18.275 -19.401 1.00 55.42 C ATOM 887 O GLU A 60 2.554 -18.830 -18.771 1.00 62.12 O ATOM 888 CB GLU A 60 1.974 -16.841 -20.819 1.00 30.34 C ATOM 889 CG GLU A 60 1.923 -15.835 -19.682 1.00 32.33 C ATOM 890 CD GLU A 60 0.647 -15.017 -19.683 1.00 23.13 C ATOM 891 OE1 GLU A 60 -0.196 -15.233 -20.578 1.00 50.14 O ATOM 892 OE2 GLU A 60 0.491 -14.160 -18.787 1.00 35.42 O ATOM 0 HA GLU A 60 4.088 -17.116 -21.082 1.00 32.45 H new ATOM 0 HB2 GLU A 60 1.928 -16.307 -21.768 1.00 30.34 H new ATOM 0 HB3 GLU A 60 1.091 -17.478 -20.769 1.00 30.34 H new ATOM 0 HG2 GLU A 60 2.012 -16.362 -18.732 1.00 32.33 H new ATOM 0 HG3 GLU A 60 2.780 -15.165 -19.756 1.00 32.33 H new ATOM 899 N PRO A 61 4.689 -18.125 -18.900 1.00 14.41 N ATOM 900 CA PRO A 61 5.066 -18.604 -17.566 1.00 50.20 C ATOM 901 C PRO A 61 4.408 -17.796 -16.453 1.00 41.53 C ATOM 902 O PRO A 61 4.244 -18.283 -15.335 1.00 22.32 O ATOM 903 CB PRO A 61 6.584 -18.416 -17.538 1.00 62.02 C ATOM 904 CG PRO A 61 6.850 -17.324 -18.516 1.00 1.52 C ATOM 905 CD PRO A 61 5.813 -17.474 -19.595 1.00 3.21 C ATOM 0 HA PRO A 61 4.747 -19.632 -17.397 1.00 50.20 H new ATOM 0 HB2 PRO A 61 6.931 -18.147 -16.540 1.00 62.02 H new ATOM 0 HB3 PRO A 61 7.102 -19.333 -17.819 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.778 -16.347 -18.039 1.00 1.52 H new ATOM 0 HG3 PRO A 61 7.856 -17.405 -18.927 1.00 1.52 H new ATOM 0 HD2 PRO A 61 5.523 -16.509 -20.011 1.00 3.21 H new ATOM 0 HD3 PRO A 61 6.179 -18.081 -20.423 1.00 3.21 H new ATOM 913 N GLN A 62 4.034 -16.560 -16.767 1.00 11.15 N ATOM 914 CA GLN A 62 3.395 -15.685 -15.790 1.00 4.33 C ATOM 915 C GLN A 62 2.153 -16.345 -15.200 1.00 54.12 C ATOM 916 O GLN A 62 1.837 -16.157 -14.024 1.00 64.54 O ATOM 917 CB GLN A 62 3.018 -14.352 -16.439 1.00 70.43 C ATOM 918 CG GLN A 62 4.187 -13.652 -17.114 1.00 42.43 C ATOM 919 CD GLN A 62 3.761 -12.426 -17.898 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.331 -11.347 -17.742 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.752 -12.588 -18.747 1.00 53.33 N ATOM 0 H GLN A 62 4.162 -16.142 -17.689 1.00 11.15 H new ATOM 0 HA GLN A 62 4.105 -15.501 -14.984 1.00 4.33 H new ATOM 0 HB2 GLN A 62 2.234 -14.525 -17.176 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.600 -13.692 -15.678 1.00 70.43 H new ATOM 0 HG2 GLN A 62 4.916 -13.360 -16.358 1.00 42.43 H new ATOM 0 HG3 GLN A 62 4.686 -14.352 -17.784 1.00 42.43 H new ATOM 0 HE21 GLN A 62 2.309 -13.502 -18.844 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.421 -11.799 -19.302 1.00 53.33 H new ATOM 930 N LEU A 63 1.451 -17.117 -16.022 1.00 3.30 N ATOM 931 CA LEU A 63 0.243 -17.805 -15.581 1.00 51.52 C ATOM 932 C LEU A 63 0.556 -18.792 -14.461 1.00 11.10 C ATOM 933 O LEU A 63 -0.117 -18.811 -13.432 1.00 50.22 O ATOM 934 CB LEU A 63 -0.408 -18.538 -16.756 1.00 63.14 C ATOM 935 CG LEU A 63 -0.930 -17.657 -17.891 1.00 4.31 C ATOM 936 CD1 LEU A 63 -1.056 -18.460 -19.176 1.00 33.34 C ATOM 937 CD2 LEU A 63 -2.268 -17.038 -17.513 1.00 44.21 C ATOM 0 H LEU A 63 1.698 -17.282 -16.998 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.451 -17.058 -15.197 1.00 51.52 H new ATOM 0 HB2 LEU A 63 0.319 -19.236 -17.170 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.238 -19.132 -16.373 1.00 63.14 H new ATOM 0 HG LEU A 63 -0.214 -16.852 -18.059 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -1.429 -17.816 -19.972 1.00 33.34 H new ATOM 0 HD12 LEU A 63 -0.079 -18.854 -19.456 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -1.750 -19.286 -19.022 1.00 33.34 H new ATOM 0 HD21 LEU A 63 -2.625 -16.414 -18.332 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -2.992 -17.829 -17.317 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -2.147 -16.427 -16.618 1.00 44.21 H new ATOM 949 N GLU A 64 1.584 -19.610 -14.670 1.00 45.21 N ATOM 950 CA GLU A 64 1.986 -20.598 -13.677 1.00 2.31 C ATOM 951 C GLU A 64 2.678 -19.929 -12.492 1.00 45.41 C ATOM 952 O GLU A 64 2.531 -20.360 -11.349 1.00 21.22 O ATOM 953 CB GLU A 64 2.919 -21.637 -14.306 1.00 23.31 C ATOM 954 CG GLU A 64 2.449 -22.132 -15.664 1.00 22.31 C ATOM 955 CD GLU A 64 2.988 -23.508 -16.001 1.00 12.53 C ATOM 956 OE1 GLU A 64 3.638 -24.120 -15.128 1.00 51.52 O ATOM 957 OE2 GLU A 64 2.762 -23.973 -17.137 1.00 32.21 O ATOM 0 H GLU A 64 2.152 -19.607 -15.517 1.00 45.21 H new ATOM 0 HA GLU A 64 1.087 -21.098 -13.316 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.914 -21.204 -14.411 1.00 23.31 H new ATOM 0 HB3 GLU A 64 3.011 -22.487 -13.630 1.00 23.31 H new ATOM 0 HG2 GLU A 64 1.359 -22.159 -15.680 1.00 22.31 H new ATOM 0 HG3 GLU A 64 2.762 -21.425 -16.432 1.00 22.31 H new ATOM 964 N LYS A 65 3.434 -18.873 -12.776 1.00 53.21 N ATOM 965 CA LYS A 65 4.149 -18.143 -11.737 1.00 34.44 C ATOM 966 C LYS A 65 3.183 -17.608 -10.685 1.00 3.12 C ATOM 967 O LYS A 65 3.390 -17.793 -9.485 1.00 2.53 O ATOM 968 CB LYS A 65 4.943 -16.988 -12.350 1.00 20.12 C ATOM 969 CG LYS A 65 6.235 -16.679 -11.614 1.00 22.54 C ATOM 970 CD LYS A 65 5.985 -16.401 -10.142 1.00 64.11 C ATOM 971 CE LYS A 65 7.174 -15.707 -9.495 1.00 75.14 C ATOM 972 NZ LYS A 65 7.307 -14.295 -9.949 1.00 55.11 N ATOM 0 H LYS A 65 3.567 -18.504 -13.718 1.00 53.21 H new ATOM 0 HA LYS A 65 4.840 -18.834 -11.253 1.00 34.44 H new ATOM 0 HB2 LYS A 65 5.175 -17.228 -13.388 1.00 20.12 H new ATOM 0 HB3 LYS A 65 4.319 -16.095 -12.361 1.00 20.12 H new ATOM 0 HG2 LYS A 65 6.922 -17.519 -11.715 1.00 22.54 H new ATOM 0 HG3 LYS A 65 6.718 -15.815 -12.071 1.00 22.54 H new ATOM 0 HD2 LYS A 65 5.097 -15.779 -10.034 1.00 64.11 H new ATOM 0 HD3 LYS A 65 5.783 -17.338 -9.623 1.00 64.11 H new ATOM 0 HE2 LYS A 65 7.063 -15.731 -8.411 1.00 75.14 H new ATOM 0 HE3 LYS A 65 8.087 -16.253 -9.734 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 7.927 -13.777 -9.294 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 7.718 -14.275 -10.904 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 6.369 -13.846 -9.967 1.00 55.11 H new ATOM 986 N LEU A 66 2.127 -16.944 -11.142 1.00 62.23 N ATOM 987 CA LEU A 66 1.126 -16.382 -10.241 1.00 42.40 C ATOM 988 C LEU A 66 0.195 -17.470 -9.715 1.00 34.31 C ATOM 989 O LEU A 66 -0.212 -17.444 -8.554 1.00 43.55 O ATOM 990 CB LEU A 66 0.315 -15.301 -10.957 1.00 35.22 C ATOM 991 CG LEU A 66 0.806 -13.865 -10.780 1.00 12.31 C ATOM 992 CD1 LEU A 66 0.672 -13.430 -9.328 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.248 -13.732 -11.248 1.00 20.50 C ATOM 0 H LEU A 66 1.941 -16.781 -12.132 1.00 62.23 H new ATOM 0 HA LEU A 66 1.646 -15.934 -9.394 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.303 -15.531 -12.022 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.716 -15.357 -10.607 1.00 35.22 H new ATOM 0 HG LEU A 66 0.185 -13.211 -11.393 1.00 12.31 H new ATOM 0 HD11 LEU A 66 1.027 -12.405 -9.221 1.00 3.13 H new ATOM 0 HD12 LEU A 66 -0.374 -13.486 -9.027 1.00 3.13 H new ATOM 0 HD13 LEU A 66 1.267 -14.088 -8.695 1.00 3.13 H new ATOM 0 HD21 LEU A 66 2.580 -12.703 -11.114 1.00 20.50 H new ATOM 0 HD22 LEU A 66 2.883 -14.397 -10.663 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.315 -14.001 -12.302 1.00 20.50 H new ATOM 1005 N ALA A 67 -0.136 -18.425 -10.578 1.00 62.40 N ATOM 1006 CA ALA A 67 -1.015 -19.524 -10.199 1.00 31.15 C ATOM 1007 C ALA A 67 -0.529 -20.202 -8.923 1.00 1.14 C ATOM 1008 O ALA A 67 -1.329 -20.679 -8.119 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.114 -20.535 -11.332 1.00 20.14 C ATOM 0 H ALA A 67 0.191 -18.460 -11.543 1.00 62.40 H new ATOM 0 HA ALA A 67 -2.006 -19.113 -10.005 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -1.774 -21.350 -11.035 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.516 -20.048 -12.220 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.123 -20.932 -11.553 1.00 20.14 H new ATOM 1015 N GLN A 68 0.788 -20.242 -8.745 1.00 12.15 N ATOM 1016 CA GLN A 68 1.380 -20.864 -7.567 1.00 64.31 C ATOM 1017 C GLN A 68 1.329 -19.921 -6.369 1.00 50.20 C ATOM 1018 O GLN A 68 1.226 -20.362 -5.225 1.00 5.42 O ATOM 1019 CB GLN A 68 2.828 -21.267 -7.850 1.00 4.24 C ATOM 1020 CG GLN A 68 2.955 -22.500 -8.732 1.00 32.35 C ATOM 1021 CD GLN A 68 4.361 -23.063 -8.749 1.00 43.12 C ATOM 1022 OE1 GLN A 68 4.630 -24.112 -8.162 1.00 72.41 O ATOM 1023 NE2 GLN A 68 5.270 -22.369 -9.424 1.00 1.41 N ATOM 0 H GLN A 68 1.464 -19.851 -9.401 1.00 12.15 H new ATOM 0 HA GLN A 68 0.801 -21.756 -7.330 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.342 -20.433 -8.329 1.00 4.24 H new ATOM 0 HB3 GLN A 68 3.336 -21.453 -6.904 1.00 4.24 H new ATOM 0 HG2 GLN A 68 2.265 -23.267 -8.379 1.00 32.35 H new ATOM 0 HG3 GLN A 68 2.657 -22.246 -9.749 1.00 32.35 H new ATOM 0 HE21 GLN A 68 5.005 -21.505 -9.896 1.00 1.41 H new ATOM 0 HE22 GLN A 68 6.234 -22.700 -9.470 1.00 1.41 H new ATOM 1032 N GLN A 69 1.400 -18.621 -6.641 1.00 75.41 N ATOM 1033 CA GLN A 69 1.362 -17.617 -5.586 1.00 73.40 C ATOM 1034 C GLN A 69 -0.039 -17.503 -4.993 1.00 43.13 C ATOM 1035 O GLN A 69 -0.201 -17.160 -3.822 1.00 45.10 O ATOM 1036 CB GLN A 69 1.811 -16.260 -6.128 1.00 50.41 C ATOM 1037 CG GLN A 69 3.294 -16.197 -6.458 1.00 72.14 C ATOM 1038 CD GLN A 69 3.858 -14.794 -6.345 1.00 5.22 C ATOM 1039 OE1 GLN A 69 3.115 -13.812 -6.335 1.00 1.33 O ATOM 1040 NE2 GLN A 69 5.179 -14.691 -6.259 1.00 61.43 N ATOM 0 H GLN A 69 1.484 -18.240 -7.583 1.00 75.41 H new ATOM 0 HA GLN A 69 2.046 -17.929 -4.797 1.00 73.40 H new ATOM 0 HB2 GLN A 69 1.237 -16.029 -7.026 1.00 50.41 H new ATOM 0 HB3 GLN A 69 1.578 -15.489 -5.393 1.00 50.41 H new ATOM 0 HG2 GLN A 69 3.840 -16.859 -5.786 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.453 -16.568 -7.470 1.00 72.14 H new ATOM 0 HE21 GLN A 69 5.758 -15.531 -6.271 1.00 61.43 H new ATOM 0 HE22 GLN A 69 5.615 -13.772 -6.181 1.00 61.43 H new ATOM 1049 N TYR A 70 -1.045 -17.791 -5.809 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.433 -17.718 -5.366 1.00 13.24 C ATOM 1051 C TYR A 70 -3.142 -19.053 -5.573 1.00 13.40 C ATOM 1052 O TYR A 70 -4.369 -19.112 -5.664 1.00 60.12 O ATOM 1053 CB TYR A 70 -3.174 -16.613 -6.120 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.612 -15.231 -5.875 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -2.665 -14.650 -4.614 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -2.025 -14.505 -6.906 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -2.153 -13.388 -4.387 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -1.509 -13.243 -6.686 1.00 43.53 C ATOM 1059 CZ TYR A 70 -1.576 -12.688 -5.426 1.00 60.24 C ATOM 1060 OH TYR A 70 -1.064 -11.430 -5.202 1.00 32.23 O ATOM 0 H TYR A 70 -0.927 -18.077 -6.781 1.00 25.32 H new ATOM 0 HA TYR A 70 -2.436 -17.487 -4.301 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -3.138 -16.827 -7.188 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -4.224 -16.626 -5.827 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -3.115 -15.195 -3.797 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -1.972 -14.935 -7.895 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -2.204 -12.951 -3.401 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -1.055 -12.693 -7.497 1.00 43.53 H new ATOM 0 HH TYR A 70 -0.693 -11.075 -6.036 1.00 32.23 H new ATOM 1070 N THR A 71 -2.360 -20.126 -5.644 1.00 53.31 N ATOM 1071 CA THR A 71 -2.910 -21.461 -5.839 1.00 63.45 C ATOM 1072 C THR A 71 -3.951 -21.788 -4.774 1.00 25.02 C ATOM 1073 O THR A 71 -4.815 -22.640 -4.980 1.00 11.42 O ATOM 1074 CB THR A 71 -1.806 -22.534 -5.809 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.332 -23.792 -6.248 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.232 -22.680 -4.407 1.00 62.15 C ATOM 0 H THR A 71 -1.343 -20.096 -5.569 1.00 53.31 H new ATOM 0 HA THR A 71 -3.384 -21.467 -6.820 1.00 63.45 H new ATOM 0 HB THR A 71 -1.007 -22.221 -6.481 1.00 51.51 H new ATOM 0 HG1 THR A 71 -1.623 -24.468 -6.227 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.454 -23.443 -4.410 1.00 62.15 H new ATOM 0 HG22 THR A 71 -0.806 -21.729 -4.087 1.00 62.15 H new ATOM 0 HG23 THR A 71 -2.024 -22.972 -3.718 1.00 62.15 H new ATOM 1084 N GLU A 72 -3.862 -21.106 -3.637 1.00 42.03 N ATOM 1085 CA GLU A 72 -4.797 -21.326 -2.540 1.00 25.13 C ATOM 1086 C GLU A 72 -6.239 -21.163 -3.013 1.00 64.22 C ATOM 1087 O GLU A 72 -7.130 -21.894 -2.582 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.513 -20.352 -1.395 1.00 62.10 C ATOM 1089 CG GLU A 72 -3.272 -20.704 -0.591 1.00 10.13 C ATOM 1090 CD GLU A 72 -2.864 -19.601 0.366 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -3.429 -18.492 0.270 1.00 54.20 O ATOM 1092 OE2 GLU A 72 -1.980 -19.848 1.213 1.00 3.33 O ATOM 0 H GLU A 72 -3.153 -20.397 -3.451 1.00 42.03 H new ATOM 0 HA GLU A 72 -4.662 -22.347 -2.182 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.399 -19.348 -1.803 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.374 -20.328 -0.727 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -3.456 -21.619 -0.028 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.448 -20.911 -1.274 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.459 -20.199 -3.902 1.00 43.45 N ATOM 1100 CA ASN A 73 -7.792 -19.939 -4.433 1.00 72.45 C ATOM 1101 C ASN A 73 -7.740 -19.693 -5.937 1.00 43.54 C ATOM 1102 O ASN A 73 -8.626 -19.053 -6.505 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.418 -18.734 -3.729 1.00 62.14 C ATOM 1104 CG ASN A 73 -9.927 -18.848 -3.618 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.456 -19.222 -2.571 1.00 54.33 O ATOM 1106 ND2 ASN A 73 -10.626 -18.527 -4.700 1.00 12.25 N ATOM 0 H ASN A 73 -5.732 -19.586 -4.269 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.408 -20.819 -4.248 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -7.989 -18.637 -2.732 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -8.164 -17.825 -4.275 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -11.644 -18.585 -4.685 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -10.145 -18.222 -5.546 1.00 12.25 H new ATOM 1113 N VAL A 74 -6.694 -20.206 -6.579 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.527 -20.045 -8.019 1.00 42.34 C ATOM 1115 C VAL A 74 -6.107 -21.356 -8.674 1.00 24.52 C ATOM 1116 O VAL A 74 -5.241 -22.068 -8.166 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.479 -18.963 -8.343 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.330 -18.799 -9.849 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -5.858 -17.643 -7.689 1.00 13.41 C ATOM 0 H VAL A 74 -5.950 -20.736 -6.125 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.493 -19.737 -8.418 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.517 -19.279 -7.939 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.586 -18.031 -10.059 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -5.010 -19.744 -10.288 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.287 -18.505 -10.279 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -5.107 -16.890 -7.928 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -6.829 -17.318 -8.062 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -5.909 -17.774 -6.608 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.727 -21.670 -9.807 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.418 -22.895 -10.535 1.00 54.30 C ATOM 1131 C LYS A 75 -6.323 -22.627 -12.034 1.00 41.22 C ATOM 1132 O LYS A 75 -6.802 -21.603 -12.522 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.484 -23.958 -10.261 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.208 -24.790 -9.021 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.064 -25.764 -9.246 1.00 22.44 C ATOM 1136 CE LYS A 75 -5.631 -26.423 -7.945 1.00 73.13 C ATOM 1137 NZ LYS A 75 -4.768 -25.526 -7.127 1.00 54.32 N ATOM 0 H LYS A 75 -7.447 -21.092 -10.241 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.452 -23.262 -10.188 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.453 -23.470 -10.153 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -7.555 -24.620 -11.124 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -6.968 -24.132 -8.186 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -8.107 -25.341 -8.744 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -6.371 -26.530 -9.959 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -5.218 -25.238 -9.688 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -6.513 -26.702 -7.369 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -5.091 -27.343 -8.167 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -4.495 -26.013 -6.249 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -3.914 -25.279 -7.666 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -5.292 -24.659 -6.893 1.00 54.32 H new ATOM 1151 N ILE A 76 -5.706 -23.555 -12.758 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.552 -23.419 -14.201 1.00 74.21 C ATOM 1153 C ILE A 76 -5.621 -24.778 -14.891 1.00 73.53 C ATOM 1154 O ILE A 76 -5.123 -25.776 -14.369 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.221 -22.738 -14.564 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.171 -21.324 -13.982 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -4.037 -22.702 -16.074 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -2.911 -20.567 -14.339 1.00 71.25 C ATOM 0 H ILE A 76 -5.305 -24.408 -12.369 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.375 -22.795 -14.549 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.405 -23.318 -14.133 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -5.035 -20.763 -14.338 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.254 -21.383 -12.897 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -3.091 -22.217 -16.314 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -4.032 -23.720 -16.464 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -4.856 -22.143 -16.527 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -2.945 -19.573 -13.893 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -2.043 -21.106 -13.959 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -2.836 -20.476 -15.423 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.237 -24.808 -16.067 1.00 44.05 N ATOM 1171 CA TYR A 77 -6.370 -26.045 -16.829 1.00 41.33 C ATOM 1172 C TYR A 77 -6.299 -25.770 -18.328 1.00 64.33 C ATOM 1173 O TYR A 77 -6.416 -24.627 -18.769 1.00 10.43 O ATOM 1174 CB TYR A 77 -7.690 -26.738 -16.487 1.00 72.10 C ATOM 1175 CG TYR A 77 -7.660 -27.482 -15.171 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -6.559 -28.246 -14.807 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -8.734 -27.420 -14.291 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -6.528 -28.929 -13.605 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -8.711 -28.097 -13.087 1.00 23.03 C ATOM 1180 CZ TYR A 77 -7.606 -28.850 -12.750 1.00 14.33 C ATOM 1181 OH TYR A 77 -7.579 -29.527 -11.552 1.00 41.31 O ATOM 0 H TYR A 77 -6.652 -23.991 -16.514 1.00 44.05 H new ATOM 0 HA TYR A 77 -5.543 -26.701 -16.559 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -8.485 -25.992 -16.455 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -7.941 -27.437 -17.285 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -5.712 -28.308 -15.474 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -9.601 -26.832 -14.553 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -5.665 -29.520 -13.338 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -9.553 -28.037 -12.414 1.00 23.03 H new ATOM 0 HH TYR A 77 -8.415 -29.366 -11.066 1.00 41.31 H new ATOM 1191 N LYS A 78 -6.108 -26.829 -19.107 1.00 23.53 N ATOM 1192 CA LYS A 78 -6.024 -26.707 -20.558 1.00 3.52 C ATOM 1193 C LYS A 78 -6.850 -27.790 -21.244 1.00 53.52 C ATOM 1194 O LYS A 78 -7.630 -28.491 -20.599 1.00 32.22 O ATOM 1195 CB LYS A 78 -4.566 -26.798 -21.013 1.00 32.21 C ATOM 1196 CG LYS A 78 -3.620 -25.929 -20.203 1.00 32.34 C ATOM 1197 CD LYS A 78 -2.169 -26.193 -20.567 1.00 31.11 C ATOM 1198 CE LYS A 78 -1.850 -25.710 -21.973 1.00 21.42 C ATOM 1199 NZ LYS A 78 -1.798 -24.223 -22.050 1.00 41.41 N ATOM 0 H LYS A 78 -6.008 -27.782 -18.758 1.00 23.53 H new ATOM 0 HA LYS A 78 -6.427 -25.734 -20.840 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -4.238 -27.835 -20.948 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -4.503 -26.509 -22.062 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -3.853 -24.878 -20.374 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -3.770 -26.120 -19.140 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -1.517 -25.692 -19.852 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -1.963 -27.261 -20.492 1.00 31.11 H new ATOM 0 HE2 LYS A 78 -0.893 -26.124 -22.291 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -2.605 -26.083 -22.665 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -1.033 -23.935 -22.693 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 -2.705 -23.862 -22.408 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 -1.620 -23.832 -21.103 1.00 41.41 H new ATOM 1490 N THR A 98 -7.306 -17.789 -25.243 1.00 45.20 N ATOM 1491 CA THR A 98 -8.141 -17.118 -24.255 1.00 23.33 C ATOM 1492 C THR A 98 -8.378 -18.007 -23.041 1.00 42.13 C ATOM 1493 O THR A 98 -8.461 -19.230 -23.161 1.00 12.55 O ATOM 1494 CB THR A 98 -9.501 -16.712 -24.854 1.00 62.14 C ATOM 1495 OG1 THR A 98 -9.318 -16.176 -26.169 1.00 63.21 O ATOM 1496 CG2 THR A 98 -10.195 -15.684 -23.973 1.00 55.04 C ATOM 0 HA THR A 98 -7.606 -16.221 -23.945 1.00 23.33 H new ATOM 0 HB THR A 98 -10.128 -17.602 -24.910 1.00 62.14 H new ATOM 0 HG1 THR A 98 -8.443 -16.450 -26.515 1.00 63.21 H new ATOM 0 HG21 THR A 98 -11.153 -15.413 -24.416 1.00 55.04 H new ATOM 0 HG22 THR A 98 -10.360 -16.106 -22.982 1.00 55.04 H new ATOM 0 HG23 THR A 98 -9.569 -14.795 -23.889 1.00 55.04 H new ATOM 1504 N ILE A 99 -8.486 -17.386 -21.871 1.00 62.15 N ATOM 1505 CA ILE A 99 -8.716 -18.123 -20.634 1.00 43.54 C ATOM 1506 C ILE A 99 -10.048 -17.734 -20.002 1.00 65.44 C ATOM 1507 O ILE A 99 -10.471 -16.579 -20.078 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.587 -17.878 -19.615 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.231 -18.236 -20.228 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.832 -18.685 -18.349 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.056 -17.633 -19.491 1.00 74.33 C ATOM 0 H ILE A 99 -8.418 -16.375 -21.754 1.00 62.15 H new ATOM 0 HA ILE A 99 -8.736 -19.181 -20.896 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.578 -16.820 -19.352 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -6.123 -19.321 -20.242 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.210 -17.900 -21.265 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -7.026 -18.501 -17.639 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.782 -18.386 -17.905 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -7.864 -19.746 -18.595 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.128 -17.929 -19.981 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -5.140 -16.546 -19.499 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -5.051 -17.989 -18.461 1.00 74.33 H new ATOM 1523 N LEU A 100 -10.706 -18.704 -19.377 1.00 14.13 N ATOM 1524 CA LEU A 100 -11.990 -18.465 -18.729 1.00 74.13 C ATOM 1525 C LEU A 100 -11.970 -18.947 -17.282 1.00 51.03 C ATOM 1526 O LEU A 100 -11.441 -20.017 -16.983 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.111 -19.167 -19.497 1.00 11.41 C ATOM 1528 CG LEU A 100 -13.299 -18.739 -20.953 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -13.884 -19.877 -21.774 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -14.189 -17.507 -21.035 1.00 10.22 C ATOM 0 H LEU A 100 -10.371 -19.665 -19.305 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.174 -17.391 -18.731 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -12.921 -20.240 -19.477 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -14.048 -18.999 -18.966 1.00 11.41 H new ATOM 0 HG LEU A 100 -12.322 -18.486 -21.366 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -14.010 -19.553 -22.807 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -13.210 -20.733 -21.742 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -14.852 -20.162 -21.362 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -14.312 -17.216 -22.078 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.164 -17.733 -20.604 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -13.729 -16.688 -20.482 1.00 10.22 H new ATOM 1542 N MET A 101 -12.550 -18.151 -16.390 1.00 44.04 N ATOM 1543 CA MET A 101 -12.599 -18.499 -14.975 1.00 51.33 C ATOM 1544 C MET A 101 -13.958 -19.088 -14.608 1.00 12.11 C ATOM 1545 O MET A 101 -14.971 -18.389 -14.613 1.00 52.43 O ATOM 1546 CB MET A 101 -12.316 -17.268 -14.114 1.00 34.22 C ATOM 1547 CG MET A 101 -10.851 -16.862 -14.098 1.00 12.34 C ATOM 1548 SD MET A 101 -10.599 -15.193 -13.464 1.00 53.14 S ATOM 1549 CE MET A 101 -9.005 -14.796 -14.179 1.00 41.24 C ATOM 0 H MET A 101 -12.992 -17.262 -16.622 1.00 44.04 H new ATOM 0 HA MET A 101 -11.832 -19.250 -14.785 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.912 -16.433 -14.481 1.00 34.22 H new ATOM 0 HB3 MET A 101 -12.641 -17.466 -13.093 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.289 -17.568 -13.486 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.449 -16.927 -15.109 1.00 12.34 H new ATOM 0 HE1 MET A 101 -8.987 -13.745 -14.466 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.220 -14.986 -13.447 1.00 41.24 H new ATOM 0 HE3 MET A 101 -8.837 -15.416 -15.060 1.00 41.24 H new ATOM 1559 N PHE A 102 -13.973 -20.379 -14.290 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.207 -21.062 -13.922 1.00 22.24 C ATOM 1561 C PHE A 102 -15.033 -21.838 -12.620 1.00 24.11 C ATOM 1562 O PHE A 102 -13.939 -22.307 -12.306 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.643 -22.012 -15.040 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.910 -21.318 -16.345 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -16.794 -20.253 -16.411 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -15.279 -21.731 -17.506 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -17.042 -19.613 -17.610 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -15.523 -21.096 -18.710 1.00 54.11 C ATOM 1569 CZ PHE A 102 -16.405 -20.035 -18.761 1.00 21.31 C ATOM 0 H PHE A 102 -13.144 -20.973 -14.280 1.00 41.14 H new ATOM 0 HA PHE A 102 -15.979 -20.307 -13.774 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.869 -22.764 -15.189 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -16.544 -22.540 -14.727 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.295 -19.919 -15.514 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -14.587 -22.560 -17.471 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -17.733 -18.784 -17.647 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -15.025 -21.429 -19.608 1.00 54.11 H new ATOM 0 HZ PHE A 102 -16.597 -19.536 -19.699 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.118 -21.967 -11.865 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.088 -22.686 -10.597 1.00 14.34 C ATOM 1581 C LYS A 103 -17.499 -22.902 -10.060 1.00 42.13 C ATOM 1582 O LYS A 103 -18.326 -21.990 -10.075 1.00 4.33 O ATOM 1583 CB LYS A 103 -15.252 -21.917 -9.571 1.00 55.11 C ATOM 1584 CG LYS A 103 -15.986 -20.741 -8.948 1.00 53.23 C ATOM 1585 CD LYS A 103 -15.148 -20.069 -7.873 1.00 73.44 C ATOM 1586 CE LYS A 103 -15.989 -19.137 -7.014 1.00 31.03 C ATOM 1587 NZ LYS A 103 -16.797 -18.198 -7.842 1.00 61.33 N ATOM 0 H LYS A 103 -17.031 -21.582 -12.109 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.632 -23.661 -10.771 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -14.942 -22.601 -8.781 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -14.344 -21.554 -10.053 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -16.237 -20.016 -9.722 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -16.926 -21.085 -8.516 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -14.685 -20.828 -7.243 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -14.339 -19.506 -8.339 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -16.653 -19.726 -6.381 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -15.338 -18.568 -6.350 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -16.608 -17.220 -7.542 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -16.540 -18.309 -8.844 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -17.808 -18.409 -7.719 1.00 61.33 H new ATOM 1601 N ASN A 104 -17.767 -24.114 -9.584 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.079 -24.448 -9.040 1.00 62.34 C ATOM 1603 C ASN A 104 -20.184 -24.099 -10.033 1.00 50.33 C ATOM 1604 O ASN A 104 -21.307 -23.784 -9.641 1.00 40.20 O ATOM 1605 CB ASN A 104 -19.311 -23.709 -7.720 1.00 11.23 C ATOM 1606 CG ASN A 104 -20.534 -24.217 -6.981 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.533 -23.510 -6.854 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -20.460 -25.448 -6.490 1.00 61.13 N ATOM 0 H ASN A 104 -17.094 -24.880 -9.564 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.106 -25.522 -8.856 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -18.433 -23.822 -7.084 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -19.426 -22.643 -7.919 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -21.252 -25.843 -5.983 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -19.611 -25.998 -6.619 1.00 61.13 H new ATOM 1615 N GLY A 105 -19.857 -24.158 -11.320 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.831 -23.846 -12.348 1.00 3.40 C ATOM 1617 C GLY A 105 -21.122 -22.360 -12.440 1.00 72.24 C ATOM 1618 O GLY A 105 -22.213 -21.958 -12.845 1.00 44.34 O ATOM 0 H GLY A 105 -18.934 -24.417 -11.669 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.465 -24.202 -13.311 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.757 -24.382 -12.141 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.146 -21.543 -12.062 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.301 -20.094 -12.102 1.00 23.53 C ATOM 1624 C LYS A 106 -19.112 -19.439 -12.796 1.00 52.51 C ATOM 1625 O LYS A 106 -18.011 -19.991 -12.820 1.00 15.21 O ATOM 1626 CB LYS A 106 -20.450 -19.537 -10.685 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.344 -18.312 -10.603 1.00 13.01 C ATOM 1628 CD LYS A 106 -20.533 -17.027 -10.628 1.00 34.42 C ATOM 1629 CE LYS A 106 -21.217 -15.921 -9.839 1.00 12.25 C ATOM 1630 NZ LYS A 106 -22.281 -15.248 -10.635 1.00 53.44 N ATOM 0 H LYS A 106 -19.237 -21.860 -11.724 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.202 -19.865 -12.671 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -20.855 -20.316 -10.038 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -19.463 -19.283 -10.298 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -22.046 -18.316 -11.437 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -21.935 -18.352 -9.688 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -19.542 -17.213 -10.213 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -20.391 -16.705 -11.660 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -21.652 -16.338 -8.931 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -20.476 -15.185 -9.528 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -22.723 -14.501 -10.062 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -21.862 -14.828 -11.489 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -23.002 -15.945 -10.910 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.338 -18.256 -13.358 1.00 5.15 N ATOM 1645 CA LYS A 107 -18.286 -17.523 -14.050 1.00 22.41 C ATOM 1646 C LYS A 107 -17.752 -16.389 -13.182 1.00 2.12 C ATOM 1647 O LYS A 107 -18.520 -15.652 -12.562 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.811 -16.962 -15.373 1.00 42.32 C ATOM 1649 CG LYS A 107 -19.674 -17.942 -16.149 1.00 53.43 C ATOM 1650 CD LYS A 107 -19.979 -17.430 -17.548 1.00 74.10 C ATOM 1651 CE LYS A 107 -20.836 -18.416 -18.327 1.00 71.11 C ATOM 1652 NZ LYS A 107 -21.444 -17.789 -19.533 1.00 25.43 N ATOM 0 H LYS A 107 -20.242 -17.784 -13.347 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.470 -18.216 -14.255 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -19.390 -16.061 -15.172 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -17.965 -16.665 -15.993 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -19.165 -18.903 -16.215 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -20.607 -18.112 -15.611 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -20.494 -16.472 -17.482 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -19.046 -17.254 -18.084 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -20.227 -19.268 -18.629 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -21.625 -18.801 -17.681 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -22.020 -18.493 -20.037 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -22.046 -16.992 -19.244 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -20.691 -17.444 -20.162 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.430 -16.251 -13.142 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.793 -15.206 -12.349 1.00 31.31 C ATOM 1668 C LEU A 108 -15.216 -14.118 -13.249 1.00 60.45 C ATOM 1669 O LEU A 108 -15.304 -12.930 -12.938 1.00 22.20 O ATOM 1670 CB LEU A 108 -14.687 -15.801 -11.477 1.00 53.53 C ATOM 1671 CG LEU A 108 -15.123 -16.883 -10.487 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -14.842 -18.267 -11.052 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -14.420 -16.698 -9.151 1.00 44.43 C ATOM 0 H LEU A 108 -15.779 -16.850 -13.650 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.551 -14.758 -11.706 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -13.923 -16.221 -12.131 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.218 -14.992 -10.917 1.00 53.53 H new ATOM 0 HG LEU A 108 -16.197 -16.790 -10.326 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -15.158 -19.024 -10.334 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -15.392 -18.398 -11.984 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -13.774 -18.372 -11.243 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -14.742 -17.476 -8.459 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -13.342 -16.764 -9.295 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -14.672 -15.720 -8.740 1.00 44.43 H new ATOM 1685 N SER A 109 -14.627 -14.531 -14.366 1.00 64.12 N ATOM 1686 CA SER A 109 -14.034 -13.592 -15.311 1.00 55.15 C ATOM 1687 C SER A 109 -13.463 -14.325 -16.521 1.00 41.05 C ATOM 1688 O SER A 109 -13.403 -15.554 -16.542 1.00 33.13 O ATOM 1689 CB SER A 109 -12.933 -12.777 -14.629 1.00 52.45 C ATOM 1690 OG SER A 109 -13.392 -11.479 -14.294 1.00 54.05 O ATOM 0 H SER A 109 -14.547 -15.511 -14.639 1.00 64.12 H new ATOM 0 HA SER A 109 -14.818 -12.917 -15.654 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.600 -13.292 -13.728 1.00 52.45 H new ATOM 0 HB3 SER A 109 -12.070 -12.701 -15.290 1.00 52.45 H new ATOM 0 HG SER A 109 -14.179 -11.550 -13.715 1.00 54.05 H new ATOM 1696 N GLN A 110 -13.046 -13.561 -17.525 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.481 -14.138 -18.739 1.00 42.33 C ATOM 1698 C GLN A 110 -11.268 -13.340 -19.208 1.00 70.12 C ATOM 1699 O GLN A 110 -11.401 -12.211 -19.681 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.535 -14.184 -19.847 1.00 72.44 C ATOM 1701 CG GLN A 110 -14.320 -12.890 -19.992 1.00 35.44 C ATOM 1702 CD GLN A 110 -15.423 -12.990 -21.028 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.437 -13.908 -21.849 1.00 14.10 O ATOM 1704 NE2 GLN A 110 -16.354 -12.044 -20.996 1.00 21.42 N ATOM 0 H GLN A 110 -13.089 -12.542 -17.522 1.00 73.42 H new ATOM 0 HA GLN A 110 -12.159 -15.154 -18.511 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -13.045 -14.411 -20.794 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -14.229 -15.000 -19.644 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -14.755 -12.623 -19.029 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -13.639 -12.085 -20.268 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -16.303 -11.302 -20.298 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -17.120 -12.059 -21.669 1.00 21.42 H new ATOM 1713 N VAL A 111 -10.087 -13.934 -19.074 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.851 -13.279 -19.485 1.00 4.43 C ATOM 1715 C VAL A 111 -8.605 -13.457 -20.979 1.00 3.33 C ATOM 1716 O VAL A 111 -8.895 -14.512 -21.545 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.640 -13.828 -18.707 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.356 -13.165 -19.183 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.832 -13.625 -17.212 1.00 22.25 C ATOM 0 H VAL A 111 -9.960 -14.868 -18.684 1.00 61.10 H new ATOM 0 HA VAL A 111 -8.966 -12.218 -19.263 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.561 -14.898 -18.898 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.511 -13.565 -18.623 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -6.215 -13.366 -20.245 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.421 -12.089 -19.023 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -6.967 -14.018 -16.677 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -7.937 -12.561 -17.000 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.730 -14.150 -16.886 1.00 22.25 H new ATOM 1729 N ILE A 112 -8.067 -12.420 -21.612 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.780 -12.462 -23.040 1.00 13.53 C ATOM 1731 C ILE A 112 -6.395 -11.899 -23.340 1.00 35.44 C ATOM 1732 O ILE A 112 -6.178 -10.690 -23.270 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.829 -11.676 -23.849 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -10.242 -12.065 -23.408 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.646 -11.927 -25.338 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.330 -11.289 -24.116 1.00 11.41 C ATOM 0 H ILE A 112 -7.821 -11.540 -21.158 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.815 -13.510 -23.338 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.689 -10.612 -23.659 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -10.390 -13.130 -23.588 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.335 -11.908 -22.333 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.395 -11.365 -25.896 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.650 -11.605 -25.641 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.762 -12.991 -25.545 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.305 -11.616 -23.754 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.207 -10.225 -23.915 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -11.263 -11.466 -25.189 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.461 -12.783 -23.676 1.00 53.21 N ATOM 1749 CA GLY A 113 -4.110 -12.353 -23.984 1.00 14.23 C ATOM 1750 C GLY A 113 -3.127 -12.699 -22.883 1.00 44.34 C ATOM 1751 O GLY A 113 -3.504 -13.285 -21.867 1.00 21.13 O ATOM 0 H GLY A 113 -5.616 -13.789 -23.740 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.787 -12.819 -24.915 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -4.103 -11.275 -24.148 1.00 14.23 H new ATOM 1755 N ALA A 114 -1.864 -12.339 -23.084 1.00 2.12 N ATOM 1756 CA ALA A 114 -0.824 -12.614 -22.099 1.00 50.23 C ATOM 1757 C ALA A 114 -0.441 -11.351 -21.337 1.00 73.31 C ATOM 1758 O ALA A 114 0.639 -10.796 -21.540 1.00 1.34 O ATOM 1759 CB ALA A 114 0.398 -13.216 -22.777 1.00 34.24 C ATOM 0 H ALA A 114 -1.536 -11.856 -23.920 1.00 2.12 H new ATOM 0 HA ALA A 114 -1.219 -13.333 -21.381 1.00 50.23 H new ATOM 0 HB1 ALA A 114 1.167 -13.416 -22.030 1.00 34.24 H new ATOM 0 HB2 ALA A 114 0.119 -14.147 -23.270 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.785 -12.516 -23.517 1.00 34.24 H new ATOM 1765 N ASP A 115 -1.333 -10.901 -20.461 1.00 11.22 N ATOM 1766 CA ASP A 115 -1.087 -9.702 -19.668 1.00 33.14 C ATOM 1767 C ASP A 115 -1.053 -10.032 -18.179 1.00 50.50 C ATOM 1768 O ASP A 115 -2.093 -10.257 -17.559 1.00 41.34 O ATOM 1769 CB ASP A 115 -2.164 -8.652 -19.945 1.00 73.33 C ATOM 1770 CG ASP A 115 -2.000 -7.998 -21.303 1.00 45.55 C ATOM 1771 OD1 ASP A 115 -1.127 -8.446 -22.075 1.00 51.32 O ATOM 1772 OD2 ASP A 115 -2.744 -7.038 -21.593 1.00 15.43 O ATOM 0 H ASP A 115 -2.232 -11.348 -20.282 1.00 11.22 H new ATOM 0 HA ASP A 115 -0.115 -9.300 -19.955 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -3.147 -9.120 -19.887 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -2.129 -7.887 -19.170 1.00 73.33 H new ATOM 1777 N ILE A 116 0.149 -10.061 -17.613 1.00 43.41 N ATOM 1778 CA ILE A 116 0.318 -10.365 -16.197 1.00 44.52 C ATOM 1779 C ILE A 116 -0.450 -9.376 -15.327 1.00 11.00 C ATOM 1780 O ILE A 116 -1.098 -9.762 -14.354 1.00 0.15 O ATOM 1781 CB ILE A 116 1.803 -10.343 -15.791 1.00 1.13 C ATOM 1782 CG1 ILE A 116 1.949 -10.625 -14.293 1.00 20.02 C ATOM 1783 CG2 ILE A 116 2.430 -9.003 -16.145 1.00 15.41 C ATOM 1784 CD1 ILE A 116 1.481 -12.007 -13.891 1.00 45.32 C ATOM 0 H ILE A 116 1.019 -9.878 -18.112 1.00 43.41 H new ATOM 0 HA ILE A 116 -0.079 -11.368 -16.040 1.00 44.52 H new ATOM 0 HB ILE A 116 2.326 -11.124 -16.343 1.00 1.13 H new ATOM 0 HG12 ILE A 116 2.995 -10.507 -14.009 1.00 20.02 H new ATOM 0 HG13 ILE A 116 1.381 -9.881 -13.734 1.00 20.02 H new ATOM 0 HG21 ILE A 116 3.480 -9.004 -15.852 1.00 15.41 H new ATOM 0 HG22 ILE A 116 2.354 -8.838 -17.220 1.00 15.41 H new ATOM 0 HG23 ILE A 116 1.906 -8.206 -15.618 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.613 -12.138 -12.817 1.00 45.32 H new ATOM 0 HD12 ILE A 116 0.427 -12.122 -14.143 1.00 45.32 H new ATOM 0 HD13 ILE A 116 2.065 -12.758 -14.423 1.00 45.32 H new ATOM 1796 N SER A 117 -0.375 -8.099 -15.685 1.00 21.43 N ATOM 1797 CA SER A 117 -1.062 -7.052 -14.936 1.00 43.32 C ATOM 1798 C SER A 117 -2.575 -7.236 -15.011 1.00 21.20 C ATOM 1799 O SER A 117 -3.318 -6.707 -14.184 1.00 13.41 O ATOM 1800 CB SER A 117 -0.677 -5.673 -15.474 1.00 12.44 C ATOM 1801 OG SER A 117 -1.535 -5.281 -16.532 1.00 62.05 O ATOM 0 H SER A 117 0.155 -7.763 -16.489 1.00 21.43 H new ATOM 0 HA SER A 117 -0.755 -7.124 -13.893 1.00 43.32 H new ATOM 0 HB2 SER A 117 -0.727 -4.939 -14.670 1.00 12.44 H new ATOM 0 HB3 SER A 117 0.355 -5.691 -15.826 1.00 12.44 H new ATOM 0 HG SER A 117 -1.269 -4.396 -16.858 1.00 62.05 H new ATOM 1807 N LYS A 118 -3.025 -7.989 -16.008 1.00 15.20 N ATOM 1808 CA LYS A 118 -4.448 -8.245 -16.193 1.00 45.15 C ATOM 1809 C LYS A 118 -4.904 -9.425 -15.341 1.00 64.05 C ATOM 1810 O LYS A 118 -5.800 -9.292 -14.507 1.00 21.20 O ATOM 1811 CB LYS A 118 -4.751 -8.520 -17.668 1.00 45.12 C ATOM 1812 CG LYS A 118 -6.189 -8.224 -18.059 1.00 72.13 C ATOM 1813 CD LYS A 118 -7.099 -9.407 -17.778 1.00 21.24 C ATOM 1814 CE LYS A 118 -8.553 -9.075 -18.075 1.00 12.53 C ATOM 1815 NZ LYS A 118 -8.761 -8.730 -19.509 1.00 64.22 N ATOM 0 H LYS A 118 -2.424 -8.434 -16.702 1.00 15.20 H new ATOM 0 HA LYS A 118 -4.995 -7.357 -15.876 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -4.084 -7.918 -18.286 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -4.532 -9.565 -17.887 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -6.544 -7.352 -17.509 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -6.234 -7.973 -19.119 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -6.788 -10.258 -18.384 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -6.999 -9.705 -16.734 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -9.181 -9.926 -17.811 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -8.870 -8.239 -17.451 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -9.780 -8.676 -19.709 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -8.319 -7.811 -19.713 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -8.329 -9.462 -20.108 1.00 64.22 H new ATOM 1829 N ILE A 119 -4.281 -10.579 -15.556 1.00 65.15 N ATOM 1830 CA ILE A 119 -4.621 -11.782 -14.805 1.00 50.12 C ATOM 1831 C ILE A 119 -4.542 -11.533 -13.303 1.00 70.05 C ATOM 1832 O ILE A 119 -5.315 -12.099 -12.528 1.00 1.10 O ATOM 1833 CB ILE A 119 -3.693 -12.955 -15.170 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -2.294 -12.723 -14.596 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -3.629 -13.131 -16.679 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -2.067 -13.402 -13.263 1.00 60.34 C ATOM 0 H ILE A 119 -3.539 -10.707 -16.244 1.00 65.15 H new ATOM 0 HA ILE A 119 -5.645 -12.043 -15.074 1.00 50.12 H new ATOM 0 HB ILE A 119 -4.098 -13.869 -14.735 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -1.553 -13.084 -15.309 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -2.130 -11.651 -14.481 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -2.969 -13.964 -16.920 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -4.628 -13.336 -17.064 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -3.244 -12.219 -17.136 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -1.055 -13.194 -12.917 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -2.784 -13.023 -12.535 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -2.198 -14.478 -13.376 1.00 60.34 H new ATOM 1848 N ILE A 120 -3.607 -10.682 -12.899 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.429 -10.355 -11.489 1.00 1.51 C ATOM 1850 C ILE A 120 -4.529 -9.421 -10.998 1.00 62.35 C ATOM 1851 O ILE A 120 -4.944 -9.487 -9.840 1.00 43.52 O ATOM 1852 CB ILE A 120 -2.060 -9.698 -11.231 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -1.949 -8.380 -12.002 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -0.935 -10.644 -11.624 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -2.376 -7.172 -11.198 1.00 14.01 C ATOM 0 H ILE A 120 -2.960 -10.206 -13.527 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.481 -11.295 -10.939 1.00 1.51 H new ATOM 0 HB ILE A 120 -1.972 -9.483 -10.166 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -0.917 -8.244 -12.327 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -2.561 -8.442 -12.902 1.00 1.40 H new ATOM 0 HG21 ILE A 120 0.026 -10.165 -11.436 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -1.006 -11.558 -11.035 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -1.018 -10.887 -12.683 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -2.271 -6.274 -11.807 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -3.417 -7.286 -10.895 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -1.748 -7.085 -10.311 1.00 14.01 H new ATOM 1867 N SER A 121 -5.000 -8.552 -11.887 1.00 0.12 N ATOM 1868 CA SER A 121 -6.052 -7.602 -11.543 1.00 73.21 C ATOM 1869 C SER A 121 -7.389 -8.314 -11.359 1.00 61.43 C ATOM 1870 O SER A 121 -8.173 -7.967 -10.477 1.00 43.23 O ATOM 1871 CB SER A 121 -6.177 -6.532 -12.630 1.00 52.11 C ATOM 1872 OG SER A 121 -5.143 -5.569 -12.518 1.00 1.41 O ATOM 0 H SER A 121 -4.670 -8.486 -12.850 1.00 0.12 H new ATOM 0 HA SER A 121 -5.782 -7.124 -10.601 1.00 73.21 H new ATOM 0 HB2 SER A 121 -6.137 -7.001 -13.613 1.00 52.11 H new ATOM 0 HB3 SER A 121 -7.147 -6.040 -12.551 1.00 52.11 H new ATOM 0 HG SER A 121 -4.453 -5.750 -13.190 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.640 -9.314 -12.199 1.00 41.41 N ATOM 1879 CA GLU A 122 -8.882 -10.075 -12.131 1.00 61.12 C ATOM 1880 C GLU A 122 -8.844 -11.074 -10.978 1.00 33.11 C ATOM 1881 O GLU A 122 -9.723 -11.076 -10.116 1.00 50.32 O ATOM 1882 CB GLU A 122 -9.129 -10.810 -13.450 1.00 22.41 C ATOM 1883 CG GLU A 122 -9.290 -9.884 -14.643 1.00 53.03 C ATOM 1884 CD GLU A 122 -10.389 -8.858 -14.440 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -10.165 -7.893 -13.680 1.00 60.42 O ATOM 1886 OE2 GLU A 122 -11.470 -9.021 -15.042 1.00 35.23 O ATOM 0 H GLU A 122 -7.000 -9.616 -12.934 1.00 41.41 H new ATOM 0 HA GLU A 122 -9.699 -9.375 -11.956 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -8.298 -11.490 -13.638 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -10.026 -11.422 -13.352 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -8.347 -9.369 -14.829 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -9.510 -10.476 -15.531 1.00 53.03 H new ATOM 1893 N ILE A 123 -7.821 -11.922 -10.969 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.668 -12.924 -9.924 1.00 54.04 C ATOM 1895 C ILE A 123 -7.738 -12.290 -8.539 1.00 62.52 C ATOM 1896 O ILE A 123 -8.561 -12.674 -7.710 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.334 -13.683 -10.061 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.324 -14.511 -11.348 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -6.105 -14.574 -8.850 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -4.946 -14.992 -11.745 1.00 24.43 C ATOM 0 H ILE A 123 -7.085 -11.934 -11.675 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.491 -13.629 -10.041 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.523 -12.957 -10.112 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -6.979 -15.373 -11.221 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -6.739 -13.912 -12.159 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.159 -15.104 -8.962 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -6.074 -13.962 -7.949 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -6.918 -15.296 -8.771 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -5.014 -15.572 -12.665 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.293 -14.134 -11.904 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.536 -15.617 -10.952 1.00 24.43 H new ATOM 1912 N ASN A 124 -6.869 -11.313 -8.297 1.00 75.21 N ATOM 1913 CA ASN A 124 -6.834 -10.623 -7.013 1.00 73.45 C ATOM 1914 C ASN A 124 -8.171 -9.949 -6.720 1.00 64.11 C ATOM 1915 O ASN A 124 -8.481 -9.635 -5.572 1.00 42.22 O ATOM 1916 CB ASN A 124 -5.712 -9.582 -7.000 1.00 11.21 C ATOM 1917 CG ASN A 124 -4.344 -10.205 -7.197 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -4.178 -11.419 -7.077 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -3.354 -9.373 -7.501 1.00 11.02 N ATOM 0 H ASN A 124 -6.181 -10.982 -8.973 1.00 75.21 H new ATOM 0 HA ASN A 124 -6.643 -11.364 -6.236 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -5.891 -8.849 -7.786 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -5.730 -9.044 -6.052 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -2.411 -9.734 -7.645 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -3.537 -8.374 -7.590 1.00 11.02 H new ATOM 1926 N ASN A 125 -8.961 -9.733 -7.767 1.00 51.03 N ATOM 1927 CA ASN A 125 -10.265 -9.097 -7.622 1.00 1.33 C ATOM 1928 C ASN A 125 -11.335 -10.125 -7.271 1.00 30.23 C ATOM 1929 O ASN A 125 -12.325 -9.807 -6.612 1.00 34.25 O ATOM 1930 CB ASN A 125 -10.646 -8.368 -8.912 1.00 2.44 C ATOM 1931 CG ASN A 125 -10.228 -6.910 -8.897 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -9.673 -6.422 -7.914 1.00 75.13 O ATOM 1933 ND2 ASN A 125 -10.495 -6.207 -9.992 1.00 2.34 N ATOM 0 H ASN A 125 -8.721 -9.989 -8.725 1.00 51.03 H new ATOM 0 HA ASN A 125 -10.201 -8.374 -6.809 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -10.179 -8.868 -9.760 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -11.724 -8.433 -9.058 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -10.238 -5.221 -10.040 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -10.957 -6.653 -10.784 1.00 2.34 H new ATOM 1940 N ASN A 126 -11.129 -11.361 -7.715 1.00 22.12 N ATOM 1941 CA ASN A 126 -12.077 -12.438 -7.447 1.00 5.34 C ATOM 1942 C ASN A 126 -11.547 -13.371 -6.363 1.00 72.44 C ATOM 1943 O ASN A 126 -12.097 -14.449 -6.136 1.00 24.00 O ATOM 1944 CB ASN A 126 -12.356 -13.230 -8.727 1.00 64.41 C ATOM 1945 CG ASN A 126 -11.084 -13.718 -9.393 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -10.234 -14.337 -8.753 1.00 60.44 O ATOM 1947 ND2 ASN A 126 -10.948 -13.440 -10.684 1.00 44.34 N ATOM 0 H ASN A 126 -10.315 -11.642 -8.262 1.00 22.12 H new ATOM 0 HA ASN A 126 -13.007 -11.992 -7.094 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -12.991 -14.084 -8.491 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -12.911 -12.603 -9.425 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -10.113 -13.742 -11.186 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -11.679 -12.924 -11.174 1.00 44.34 H new ATOM 1954 N ILE A 127 -10.478 -12.948 -5.697 1.00 64.21 N ATOM 1955 CA ILE A 127 -9.876 -13.746 -4.636 1.00 53.31 C ATOM 1956 C ILE A 127 -10.381 -13.308 -3.265 1.00 13.41 C ATOM 1957 O ILE A 127 -10.534 -12.116 -3.001 1.00 22.03 O ATOM 1958 CB ILE A 127 -8.339 -13.647 -4.661 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.751 -14.731 -5.565 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -7.779 -13.765 -3.250 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -6.241 -14.693 -5.651 1.00 51.21 C ATOM 0 H ILE A 127 -10.011 -12.058 -5.873 1.00 64.21 H new ATOM 0 HA ILE A 127 -10.168 -14.781 -4.814 1.00 53.31 H new ATOM 0 HB ILE A 127 -8.058 -12.674 -5.063 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -8.061 -15.708 -5.196 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -8.167 -14.622 -6.567 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -6.692 -13.693 -3.283 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -8.177 -12.960 -2.632 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -8.067 -14.726 -2.824 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -5.894 -15.490 -6.309 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -5.923 -13.729 -6.049 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.816 -14.832 -4.657 1.00 51.21 H new ATOM 1973 N ASN A 128 -10.636 -14.280 -2.396 1.00 2.43 N ATOM 1974 CA ASN A 128 -11.123 -13.995 -1.051 1.00 53.34 C ATOM 1975 C ASN A 128 -10.241 -12.958 -0.362 1.00 63.41 C ATOM 1976 O ASN A 128 -10.732 -11.954 0.151 1.00 72.01 O ATOM 1977 CB ASN A 128 -11.165 -15.278 -0.218 1.00 3.42 C ATOM 1978 CG ASN A 128 -9.799 -15.669 0.312 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -8.862 -15.919 -0.595 1.00 54.30 O flip ATOM 1980 ND2 ASN A 128 -9.590 -15.744 1.523 1.00 25.45 N flip ATOM 0 H ASN A 128 -10.514 -15.272 -2.599 1.00 2.43 H new ATOM 0 HA ASN A 128 -12.132 -13.591 -1.135 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -11.851 -15.143 0.618 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -11.561 -16.090 -0.827 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -10.341 -15.543 2.184 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -8.666 -16.007 1.866 1.00 25.45 H new