USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 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 125 ASN :FLIP amide:sc= -0.0331 F(o=-1.4,f=-0.74) USER MOD Set 1.2: A 126 ASN : amide:sc= -0.705 K(o=-0.74,f=-1.4) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 159:sc= -0.125 (180deg=-0.607) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.635 K(o=-0.64,f=-3.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= -0.687 (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 -140:sc= -0.709 USER MOD Single : A 39 ASN :FLIP amide:sc= 0.71 F(o=-0.29,f=0.71) USER MOD Single : A 41 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.061) USER MOD Single : A 62 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.11) 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= 0.33 X(o=0.33,f=0.11) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= -0.591 (180deg=-0.603) USER MOD Single : A 98 THR OG1 : rot 18:sc= 0.362 USER MOD Single : A 101 MET CE :methyl -106:sc= -2.95! (180deg=-6.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.49) 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 -135:sc= 1.23 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0898) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.912 K(o=-0.91,f=-2) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.0217 F(o=-0.79,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 316 N ILE A 23 -0.270 -27.786 -15.019 1.00 52.50 N ATOM 317 CA ILE A 23 -1.607 -27.729 -15.599 1.00 71.21 C ATOM 318 C ILE A 23 -1.998 -29.071 -16.208 1.00 10.42 C ATOM 319 O ILE A 23 -1.286 -29.611 -17.054 1.00 53.52 O ATOM 320 CB ILE A 23 -1.705 -26.638 -16.682 1.00 41.35 C ATOM 321 CG1 ILE A 23 -1.332 -25.274 -16.096 1.00 13.10 C ATOM 322 CG2 ILE A 23 -3.106 -26.602 -17.271 1.00 73.31 C ATOM 323 CD1 ILE A 23 -1.072 -24.217 -17.147 1.00 74.23 C ATOM 0 HA ILE A 23 -2.294 -27.486 -14.788 1.00 71.21 H new ATOM 0 HB ILE A 23 -1.002 -26.874 -17.481 1.00 41.35 H new ATOM 0 HG12 ILE A 23 -2.136 -24.936 -15.443 1.00 13.10 H new ATOM 0 HG13 ILE A 23 -0.443 -25.385 -15.475 1.00 13.10 H new ATOM 0 HG21 ILE A 23 -3.160 -25.826 -18.035 1.00 73.31 H new ATOM 0 HG22 ILE A 23 -3.337 -27.569 -17.719 1.00 73.31 H new ATOM 0 HG23 ILE A 23 -3.827 -26.385 -16.483 1.00 73.31 H new ATOM 0 HD11 ILE A 23 -0.813 -23.276 -16.661 1.00 74.23 H new ATOM 0 HD12 ILE A 23 -0.248 -24.534 -17.786 1.00 74.23 H new ATOM 0 HD13 ILE A 23 -1.968 -24.078 -17.753 1.00 74.23 H new ATOM 335 N GLU A 24 -3.136 -29.602 -15.774 1.00 71.32 N ATOM 336 CA GLU A 24 -3.623 -30.881 -16.278 1.00 63.12 C ATOM 337 C GLU A 24 -4.711 -30.674 -17.328 1.00 45.22 C ATOM 338 O GLU A 24 -5.468 -29.705 -17.269 1.00 40.33 O ATOM 339 CB GLU A 24 -4.165 -31.735 -15.130 1.00 43.20 C ATOM 340 CG GLU A 24 -5.248 -32.711 -15.556 1.00 24.25 C ATOM 341 CD GLU A 24 -4.718 -33.818 -16.446 1.00 12.10 C ATOM 342 OE1 GLU A 24 -3.521 -33.775 -16.797 1.00 52.34 O ATOM 343 OE2 GLU A 24 -5.501 -34.728 -16.792 1.00 51.31 O ATOM 0 H GLU A 24 -3.738 -29.167 -15.075 1.00 71.32 H new ATOM 0 HA GLU A 24 -2.785 -31.400 -16.744 1.00 63.12 H new ATOM 0 HB2 GLU A 24 -3.342 -32.292 -14.682 1.00 43.20 H new ATOM 0 HB3 GLU A 24 -4.563 -31.078 -14.357 1.00 43.20 H new ATOM 0 HG2 GLU A 24 -5.705 -33.150 -14.669 1.00 24.25 H new ATOM 0 HG3 GLU A 24 -6.033 -32.169 -16.084 1.00 24.25 H new ATOM 350 N GLN A 25 -4.780 -31.589 -18.289 1.00 72.41 N ATOM 351 CA GLN A 25 -5.773 -31.506 -19.353 1.00 70.32 C ATOM 352 C GLN A 25 -7.102 -32.105 -18.905 1.00 34.23 C ATOM 353 O GLN A 25 -7.134 -33.143 -18.242 1.00 3.23 O ATOM 354 CB GLN A 25 -5.272 -32.225 -20.605 1.00 62.23 C ATOM 355 CG GLN A 25 -4.827 -33.657 -20.349 1.00 24.51 C ATOM 356 CD GLN A 25 -3.334 -33.770 -20.111 1.00 33.21 C ATOM 357 OE1 GLN A 25 -2.655 -32.772 -19.864 1.00 64.03 O ATOM 358 NE2 GLN A 25 -2.813 -34.990 -20.184 1.00 41.21 N ATOM 0 H GLN A 25 -4.160 -32.396 -18.353 1.00 72.41 H new ATOM 0 HA GLN A 25 -5.930 -30.453 -19.587 1.00 70.32 H new ATOM 0 HB2 GLN A 25 -6.064 -32.228 -21.353 1.00 62.23 H new ATOM 0 HB3 GLN A 25 -4.438 -31.664 -21.026 1.00 62.23 H new ATOM 0 HG2 GLN A 25 -5.360 -34.050 -19.483 1.00 24.51 H new ATOM 0 HG3 GLN A 25 -5.103 -34.277 -21.202 1.00 24.51 H new ATOM 0 HE21 GLN A 25 -3.412 -35.789 -20.391 1.00 41.21 H new ATOM 0 HE22 GLN A 25 -1.814 -35.128 -20.033 1.00 41.21 H new ATOM 367 N ILE A 26 -8.196 -31.447 -19.271 1.00 31.52 N ATOM 368 CA ILE A 26 -9.527 -31.915 -18.906 1.00 43.51 C ATOM 369 C ILE A 26 -10.376 -32.179 -20.146 1.00 72.10 C ATOM 370 O ILE A 26 -9.903 -32.045 -21.275 1.00 74.50 O ATOM 371 CB ILE A 26 -10.256 -30.900 -18.007 1.00 53.31 C ATOM 372 CG1 ILE A 26 -10.424 -29.566 -18.737 1.00 70.00 C ATOM 373 CG2 ILE A 26 -9.494 -30.705 -16.705 1.00 53.23 C ATOM 374 CD1 ILE A 26 -11.864 -29.224 -19.048 1.00 44.33 C ATOM 0 H ILE A 26 -8.187 -30.588 -19.820 1.00 31.52 H new ATOM 0 HA ILE A 26 -9.393 -32.845 -18.354 1.00 43.51 H new ATOM 0 HB ILE A 26 -11.246 -31.290 -17.772 1.00 53.31 H new ATOM 0 HG12 ILE A 26 -9.994 -28.771 -18.128 1.00 70.00 H new ATOM 0 HG13 ILE A 26 -9.857 -29.597 -19.668 1.00 70.00 H new ATOM 0 HG21 ILE A 26 -10.021 -29.985 -16.079 1.00 53.23 H new ATOM 0 HG22 ILE A 26 -9.421 -31.657 -16.180 1.00 53.23 H new ATOM 0 HG23 ILE A 26 -8.493 -30.333 -16.922 1.00 53.23 H new ATOM 0 HD11 ILE A 26 -11.907 -28.266 -19.566 1.00 44.33 H new ATOM 0 HD12 ILE A 26 -12.293 -29.999 -19.683 1.00 44.33 H new ATOM 0 HD13 ILE A 26 -12.432 -29.161 -18.120 1.00 44.33 H new ATOM 386 N GLY A 27 -11.633 -32.552 -19.929 1.00 34.03 N ATOM 387 CA GLY A 27 -12.528 -32.826 -21.037 1.00 51.40 C ATOM 388 C GLY A 27 -13.828 -32.051 -20.939 1.00 43.34 C ATOM 389 O GLY A 27 -14.089 -31.390 -19.934 1.00 62.43 O ATOM 0 H GLY A 27 -12.048 -32.669 -19.005 1.00 34.03 H new ATOM 0 HA2 GLY A 27 -12.029 -32.576 -21.973 1.00 51.40 H new ATOM 0 HA3 GLY A 27 -12.747 -33.893 -21.068 1.00 51.40 H new ATOM 393 N ASP A 28 -14.642 -32.131 -21.986 1.00 72.03 N ATOM 394 CA ASP A 28 -15.921 -31.431 -22.013 1.00 72.25 C ATOM 395 C ASP A 28 -16.871 -31.993 -20.960 1.00 30.43 C ATOM 396 O ASP A 28 -17.618 -31.249 -20.324 1.00 45.30 O ATOM 397 CB ASP A 28 -16.556 -31.539 -23.401 1.00 20.12 C ATOM 398 CG ASP A 28 -15.534 -31.430 -24.515 1.00 62.32 C ATOM 399 OD1 ASP A 28 -14.771 -32.398 -24.718 1.00 61.43 O ATOM 400 OD2 ASP A 28 -15.498 -30.378 -25.186 1.00 15.13 O ATOM 0 H ASP A 28 -14.439 -32.673 -22.826 1.00 72.03 H new ATOM 0 HA ASP A 28 -15.737 -30.381 -21.786 1.00 72.25 H new ATOM 0 HB2 ASP A 28 -17.080 -32.491 -23.485 1.00 20.12 H new ATOM 0 HB3 ASP A 28 -17.302 -30.753 -23.518 1.00 20.12 H new ATOM 405 N SER A 29 -16.838 -33.309 -20.782 1.00 34.14 N ATOM 406 CA SER A 29 -17.699 -33.971 -19.809 1.00 40.21 C ATOM 407 C SER A 29 -17.127 -33.841 -18.401 1.00 24.42 C ATOM 408 O SER A 29 -17.870 -33.809 -17.420 1.00 3.01 O ATOM 409 CB SER A 29 -17.869 -35.449 -20.169 1.00 63.34 C ATOM 410 OG SER A 29 -18.710 -35.605 -21.299 1.00 42.24 O ATOM 0 H SER A 29 -16.224 -33.939 -21.299 1.00 34.14 H new ATOM 0 HA SER A 29 -18.674 -33.484 -19.833 1.00 40.21 H new ATOM 0 HB2 SER A 29 -16.894 -35.891 -20.374 1.00 63.34 H new ATOM 0 HB3 SER A 29 -18.291 -35.987 -19.320 1.00 63.34 H new ATOM 0 HG SER A 29 -18.801 -36.558 -21.510 1.00 42.24 H new ATOM 416 N GLU A 30 -15.803 -33.768 -18.311 1.00 3.41 N ATOM 417 CA GLU A 30 -15.133 -33.643 -17.022 1.00 21.44 C ATOM 418 C GLU A 30 -15.118 -32.191 -16.555 1.00 70.14 C ATOM 419 O GLU A 30 -14.908 -31.908 -15.374 1.00 61.05 O ATOM 420 CB GLU A 30 -13.701 -34.174 -17.114 1.00 71.22 C ATOM 421 CG GLU A 30 -13.552 -35.366 -18.045 1.00 52.14 C ATOM 422 CD GLU A 30 -14.623 -36.416 -17.823 1.00 63.22 C ATOM 423 OE1 GLU A 30 -14.683 -36.975 -16.708 1.00 62.15 O ATOM 424 OE2 GLU A 30 -15.401 -36.678 -18.765 1.00 33.44 O ATOM 0 H GLU A 30 -15.174 -33.793 -19.114 1.00 3.41 H new ATOM 0 HA GLU A 30 -15.688 -34.235 -16.294 1.00 21.44 H new ATOM 0 HB2 GLU A 30 -13.047 -33.372 -17.456 1.00 71.22 H new ATOM 0 HB3 GLU A 30 -13.363 -34.458 -16.117 1.00 71.22 H new ATOM 0 HG2 GLU A 30 -13.594 -35.023 -19.079 1.00 52.14 H new ATOM 0 HG3 GLU A 30 -12.570 -35.817 -17.898 1.00 52.14 H new ATOM 431 N PHE A 31 -15.345 -31.272 -17.488 1.00 51.15 N ATOM 432 CA PHE A 31 -15.357 -29.849 -17.173 1.00 15.33 C ATOM 433 C PHE A 31 -16.140 -29.582 -15.891 1.00 52.25 C ATOM 434 O PHE A 31 -15.562 -29.260 -14.853 1.00 53.02 O ATOM 435 CB PHE A 31 -15.967 -29.054 -18.331 1.00 75.15 C ATOM 436 CG PHE A 31 -16.237 -27.616 -17.993 1.00 65.24 C ATOM 437 CD1 PHE A 31 -15.211 -26.782 -17.579 1.00 33.35 C ATOM 438 CD2 PHE A 31 -17.519 -27.097 -18.090 1.00 72.53 C ATOM 439 CE1 PHE A 31 -15.457 -25.459 -17.268 1.00 31.30 C ATOM 440 CE2 PHE A 31 -17.771 -25.773 -17.779 1.00 51.23 C ATOM 441 CZ PHE A 31 -16.738 -24.953 -17.369 1.00 13.43 C ATOM 0 H PHE A 31 -15.523 -31.488 -18.469 1.00 51.15 H new ATOM 0 HA PHE A 31 -14.327 -29.527 -17.022 1.00 15.33 H new ATOM 0 HB2 PHE A 31 -15.293 -29.098 -19.186 1.00 75.15 H new ATOM 0 HB3 PHE A 31 -16.900 -29.529 -18.636 1.00 75.15 H new ATOM 0 HD1 PHE A 31 -14.207 -27.171 -17.499 1.00 33.35 H new ATOM 0 HD2 PHE A 31 -18.330 -27.734 -18.412 1.00 72.53 H new ATOM 0 HE1 PHE A 31 -14.648 -24.820 -16.946 1.00 31.30 H new ATOM 0 HE2 PHE A 31 -18.774 -25.381 -17.857 1.00 51.23 H new ATOM 0 HZ PHE A 31 -16.932 -23.918 -17.128 1.00 13.43 H new ATOM 451 N ASP A 32 -17.459 -29.718 -15.971 1.00 14.24 N ATOM 452 CA ASP A 32 -18.322 -29.492 -14.818 1.00 72.32 C ATOM 453 C ASP A 32 -18.099 -30.563 -13.755 1.00 72.42 C ATOM 454 O ASP A 32 -18.346 -30.339 -12.570 1.00 33.44 O ATOM 455 CB ASP A 32 -19.790 -29.480 -15.247 1.00 63.01 C ATOM 456 CG ASP A 32 -20.144 -30.658 -16.133 1.00 24.01 C ATOM 457 OD1 ASP A 32 -20.134 -31.802 -15.631 1.00 50.53 O ATOM 458 OD2 ASP A 32 -20.431 -30.437 -17.328 1.00 24.23 O ATOM 0 H ASP A 32 -17.954 -29.984 -16.822 1.00 14.24 H new ATOM 0 HA ASP A 32 -18.069 -28.522 -14.390 1.00 72.32 H new ATOM 0 HB2 ASP A 32 -20.425 -29.492 -14.361 1.00 63.01 H new ATOM 0 HB3 ASP A 32 -20.003 -28.552 -15.779 1.00 63.01 H new ATOM 463 N ASN A 33 -17.633 -31.731 -14.186 1.00 0.41 N ATOM 464 CA ASN A 33 -17.379 -32.838 -13.272 1.00 71.43 C ATOM 465 C ASN A 33 -16.394 -32.427 -12.181 1.00 5.31 C ATOM 466 O ASN A 33 -16.466 -32.911 -11.050 1.00 42.22 O ATOM 467 CB ASN A 33 -16.833 -34.045 -14.039 1.00 3.30 C ATOM 468 CG ASN A 33 -17.235 -35.363 -13.404 1.00 61.22 C ATOM 469 OD1 ASN A 33 -16.407 -36.061 -12.820 1.00 43.52 O ATOM 470 ND2 ASN A 33 -18.513 -35.708 -13.517 1.00 2.02 N ATOM 0 H ASN A 33 -17.424 -31.935 -15.163 1.00 0.41 H new ATOM 0 HA ASN A 33 -18.323 -33.112 -12.801 1.00 71.43 H new ATOM 0 HB2 ASN A 33 -17.196 -34.014 -15.066 1.00 3.30 H new ATOM 0 HB3 ASN A 33 -15.746 -33.983 -14.083 1.00 3.30 H new ATOM 0 HD21 ASN A 33 -18.843 -36.583 -13.110 1.00 2.02 H new ATOM 0 HD22 ASN A 33 -19.164 -35.098 -14.010 1.00 2.02 H new ATOM 477 N LYS A 34 -15.476 -31.533 -12.527 1.00 61.14 N ATOM 478 CA LYS A 34 -14.477 -31.054 -11.579 1.00 61.34 C ATOM 479 C LYS A 34 -14.661 -29.566 -11.300 1.00 34.21 C ATOM 480 O LYS A 34 -14.127 -29.037 -10.325 1.00 0.52 O ATOM 481 CB LYS A 34 -13.068 -31.312 -12.116 1.00 4.45 C ATOM 482 CG LYS A 34 -12.833 -30.743 -13.505 1.00 54.12 C ATOM 483 CD LYS A 34 -12.229 -31.779 -14.437 1.00 72.43 C ATOM 484 CE LYS A 34 -10.774 -32.060 -14.093 1.00 73.13 C ATOM 485 NZ LYS A 34 -10.647 -33.037 -12.977 1.00 34.51 N ATOM 0 H LYS A 34 -15.402 -31.124 -13.459 1.00 61.14 H new ATOM 0 HA LYS A 34 -14.609 -31.600 -10.645 1.00 61.34 H new ATOM 0 HB2 LYS A 34 -12.341 -30.880 -11.428 1.00 4.45 H new ATOM 0 HB3 LYS A 34 -12.887 -32.387 -12.137 1.00 4.45 H new ATOM 0 HG2 LYS A 34 -13.777 -30.387 -13.918 1.00 54.12 H new ATOM 0 HG3 LYS A 34 -12.169 -29.881 -13.439 1.00 54.12 H new ATOM 0 HD2 LYS A 34 -12.803 -32.703 -14.376 1.00 72.43 H new ATOM 0 HD3 LYS A 34 -12.299 -31.428 -15.467 1.00 72.43 H new ATOM 0 HE2 LYS A 34 -10.261 -32.446 -14.974 1.00 73.13 H new ATOM 0 HE3 LYS A 34 -10.279 -31.128 -13.818 1.00 73.13 H new ATOM 0 HZ1 LYS A 34 -9.750 -33.555 -13.070 1.00 34.51 H new ATOM 0 HZ2 LYS A 34 -10.662 -32.530 -12.069 1.00 34.51 H new ATOM 0 HZ3 LYS A 34 -11.440 -33.709 -13.012 1.00 34.51 H new ATOM 499 N VAL A 35 -15.420 -28.897 -12.161 1.00 34.33 N ATOM 500 CA VAL A 35 -15.677 -27.470 -12.005 1.00 51.44 C ATOM 501 C VAL A 35 -16.902 -27.223 -11.133 1.00 12.33 C ATOM 502 O VAL A 35 -16.830 -26.519 -10.124 1.00 34.24 O ATOM 503 CB VAL A 35 -15.885 -26.784 -13.369 1.00 22.45 C ATOM 504 CG1 VAL A 35 -16.517 -25.412 -13.186 1.00 52.31 C ATOM 505 CG2 VAL A 35 -14.566 -26.678 -14.118 1.00 15.43 C ATOM 0 H VAL A 35 -15.868 -29.320 -12.974 1.00 34.33 H new ATOM 0 HA VAL A 35 -14.799 -27.042 -11.521 1.00 51.44 H new ATOM 0 HB VAL A 35 -16.565 -27.394 -13.963 1.00 22.45 H new ATOM 0 HG11 VAL A 35 -16.656 -24.943 -14.160 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -17.483 -25.519 -12.693 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -15.865 -24.790 -12.573 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -14.731 -26.191 -15.079 1.00 15.43 H new ATOM 0 HG22 VAL A 35 -13.860 -26.091 -13.531 1.00 15.43 H new ATOM 0 HG23 VAL A 35 -14.160 -27.676 -14.282 1.00 15.43 H new ATOM 515 N THR A 36 -18.030 -27.809 -11.525 1.00 23.22 N ATOM 516 CA THR A 36 -19.272 -27.653 -10.780 1.00 25.31 C ATOM 517 C THR A 36 -19.145 -28.228 -9.373 1.00 21.25 C ATOM 518 O THR A 36 -19.918 -27.884 -8.480 1.00 61.41 O ATOM 519 CB THR A 36 -20.448 -28.341 -11.498 1.00 24.40 C ATOM 520 OG1 THR A 36 -21.648 -27.582 -11.309 1.00 52.21 O ATOM 521 CG2 THR A 36 -20.648 -29.756 -10.978 1.00 14.11 C ATOM 0 H THR A 36 -18.108 -28.396 -12.355 1.00 23.22 H new ATOM 0 HA THR A 36 -19.470 -26.583 -10.717 1.00 25.31 H new ATOM 0 HB THR A 36 -20.215 -28.393 -12.562 1.00 24.40 H new ATOM 0 HG1 THR A 36 -22.391 -28.025 -11.770 1.00 52.21 H new ATOM 0 HG21 THR A 36 -21.484 -30.221 -11.500 1.00 14.11 H new ATOM 0 HG22 THR A 36 -19.743 -30.338 -11.151 1.00 14.11 H new ATOM 0 HG23 THR A 36 -20.860 -29.724 -9.909 1.00 14.11 H new ATOM 529 N SER A 37 -18.164 -29.105 -9.184 1.00 14.22 N ATOM 530 CA SER A 37 -17.939 -29.730 -7.886 1.00 52.32 C ATOM 531 C SER A 37 -17.023 -28.870 -7.021 1.00 53.20 C ATOM 532 O SER A 37 -17.001 -29.004 -5.796 1.00 32.53 O ATOM 533 CB SER A 37 -17.329 -31.122 -8.066 1.00 12.31 C ATOM 534 OG SER A 37 -17.207 -31.790 -6.822 1.00 23.30 O ATOM 0 H SER A 37 -17.513 -29.398 -9.912 1.00 14.22 H new ATOM 0 HA SER A 37 -18.902 -29.824 -7.384 1.00 52.32 H new ATOM 0 HB2 SER A 37 -17.952 -31.711 -8.739 1.00 12.31 H new ATOM 0 HB3 SER A 37 -16.348 -31.035 -8.533 1.00 12.31 H new ATOM 0 HG SER A 37 -16.816 -32.677 -6.964 1.00 23.30 H new ATOM 540 N CYS A 38 -16.269 -27.986 -7.666 1.00 31.15 N ATOM 541 CA CYS A 38 -15.350 -27.103 -6.956 1.00 55.44 C ATOM 542 C CYS A 38 -16.100 -26.226 -5.958 1.00 24.01 C ATOM 543 O CYS A 38 -16.651 -25.188 -6.322 1.00 1.31 O ATOM 544 CB CYS A 38 -14.584 -26.226 -7.948 1.00 50.43 C ATOM 545 SG CYS A 38 -13.065 -25.508 -7.279 1.00 51.34 S ATOM 0 H CYS A 38 -16.276 -27.862 -8.678 1.00 31.15 H new ATOM 0 HA CYS A 38 -14.641 -27.723 -6.407 1.00 55.44 H new ATOM 0 HB2 CYS A 38 -14.335 -26.822 -8.826 1.00 50.43 H new ATOM 0 HB3 CYS A 38 -15.237 -25.420 -8.284 1.00 50.43 H new ATOM 0 HG CYS A 38 -12.942 -24.284 -7.699 1.00 51.34 H new ATOM 551 N ASN A 39 -16.118 -26.652 -4.700 1.00 43.53 N ATOM 552 CA ASN A 39 -16.801 -25.907 -3.650 1.00 34.53 C ATOM 553 C ASN A 39 -15.801 -25.168 -2.767 1.00 40.14 C ATOM 554 O ASN A 39 -16.140 -24.711 -1.675 1.00 34.52 O ATOM 555 CB ASN A 39 -17.652 -26.852 -2.796 1.00 62.21 C ATOM 556 CG ASN A 39 -16.886 -28.089 -2.367 1.00 2.12 C ATOM 557 OD1 ASN A 39 -16.323 -28.048 -1.166 1.00 62.30 O flip ATOM 558 ND2 ASN A 39 -16.804 -29.069 -3.107 1.00 54.11 N flip ATOM 0 H ASN A 39 -15.667 -27.510 -4.383 1.00 43.53 H new ATOM 0 HA ASN A 39 -17.451 -25.172 -4.125 1.00 34.53 H new ATOM 0 HB2 ASN A 39 -18.004 -26.321 -1.912 1.00 62.21 H new ATOM 0 HB3 ASN A 39 -18.535 -27.152 -3.360 1.00 62.21 H new ATOM 0 HD21 ASN A 39 -17.253 -29.056 -4.023 1.00 54.11 H new ATOM 0 HD22 ASN A 39 -16.287 -29.895 -2.805 1.00 54.11 H new ATOM 565 N ASP A 40 -14.567 -25.054 -3.247 1.00 45.34 N ATOM 566 CA ASP A 40 -13.518 -24.368 -2.503 1.00 20.02 C ATOM 567 C ASP A 40 -13.443 -22.897 -2.900 1.00 50.34 C ATOM 568 O ASP A 40 -12.462 -22.214 -2.607 1.00 73.13 O ATOM 569 CB ASP A 40 -12.168 -25.044 -2.746 1.00 44.11 C ATOM 570 CG ASP A 40 -11.943 -26.234 -1.832 1.00 41.31 C ATOM 571 OD1 ASP A 40 -11.685 -26.017 -0.629 1.00 0.11 O ATOM 572 OD2 ASP A 40 -12.024 -27.381 -2.320 1.00 41.24 O ATOM 0 H ASP A 40 -14.269 -25.428 -4.148 1.00 45.34 H new ATOM 0 HA ASP A 40 -13.760 -24.427 -1.442 1.00 20.02 H new ATOM 0 HB2 ASP A 40 -12.110 -25.371 -3.784 1.00 44.11 H new ATOM 0 HB3 ASP A 40 -11.369 -24.318 -2.596 1.00 44.11 H new ATOM 577 N ASN A 41 -14.485 -22.416 -3.569 1.00 64.15 N ATOM 578 CA ASN A 41 -14.537 -21.026 -4.007 1.00 33.45 C ATOM 579 C ASN A 41 -13.273 -20.651 -4.776 1.00 33.24 C ATOM 580 O ASN A 41 -12.770 -19.533 -4.657 1.00 50.23 O ATOM 581 CB ASN A 41 -14.710 -20.096 -2.805 1.00 65.20 C ATOM 582 CG ASN A 41 -16.151 -20.010 -2.343 1.00 23.13 C ATOM 583 OD1 ASN A 41 -16.448 -20.193 -1.163 1.00 25.31 O ATOM 584 ND2 ASN A 41 -17.056 -19.732 -3.275 1.00 63.34 N ATOM 0 H ASN A 41 -15.305 -22.968 -3.820 1.00 64.15 H new ATOM 0 HA ASN A 41 -15.394 -20.913 -4.671 1.00 33.45 H new ATOM 0 HB2 ASN A 41 -14.088 -20.450 -1.983 1.00 65.20 H new ATOM 0 HB3 ASN A 41 -14.355 -19.099 -3.066 1.00 65.20 H new ATOM 0 HD21 ASN A 41 -18.042 -19.663 -3.024 1.00 63.34 H new ATOM 0 HD22 ASN A 41 -16.765 -19.588 -4.242 1.00 63.34 H new ATOM 591 N ILE A 42 -12.767 -21.593 -5.565 1.00 30.15 N ATOM 592 CA ILE A 42 -11.563 -21.360 -6.355 1.00 31.32 C ATOM 593 C ILE A 42 -11.906 -21.130 -7.822 1.00 41.34 C ATOM 594 O ILE A 42 -12.753 -21.821 -8.390 1.00 12.51 O ATOM 595 CB ILE A 42 -10.583 -22.544 -6.248 1.00 40.33 C ATOM 596 CG1 ILE A 42 -10.361 -22.919 -4.782 1.00 31.15 C ATOM 597 CG2 ILE A 42 -9.261 -22.199 -6.918 1.00 3.31 C ATOM 598 CD1 ILE A 42 -9.410 -24.081 -4.593 1.00 74.15 C ATOM 0 H ILE A 42 -13.171 -22.523 -5.674 1.00 30.15 H new ATOM 0 HA ILE A 42 -11.087 -20.467 -5.951 1.00 31.32 H new ATOM 0 HB ILE A 42 -11.016 -23.403 -6.762 1.00 40.33 H new ATOM 0 HG12 ILE A 42 -9.973 -22.052 -4.248 1.00 31.15 H new ATOM 0 HG13 ILE A 42 -11.321 -23.168 -4.330 1.00 31.15 H new ATOM 0 HG21 ILE A 42 -8.579 -23.045 -6.834 1.00 3.31 H new ATOM 0 HG22 ILE A 42 -9.434 -21.975 -7.971 1.00 3.31 H new ATOM 0 HG23 ILE A 42 -8.822 -21.329 -6.430 1.00 3.31 H new ATOM 0 HD11 ILE A 42 -9.300 -24.292 -3.529 1.00 74.15 H new ATOM 0 HD12 ILE A 42 -9.807 -24.962 -5.098 1.00 74.15 H new ATOM 0 HD13 ILE A 42 -8.438 -23.828 -5.015 1.00 74.15 H new ATOM 610 N LEU A 43 -11.239 -20.155 -8.433 1.00 40.54 N ATOM 611 CA LEU A 43 -11.472 -19.834 -9.837 1.00 63.50 C ATOM 612 C LEU A 43 -10.578 -20.675 -10.744 1.00 24.21 C ATOM 613 O LEU A 43 -9.351 -20.606 -10.658 1.00 62.32 O ATOM 614 CB LEU A 43 -11.216 -18.346 -10.089 1.00 50.44 C ATOM 615 CG LEU A 43 -9.914 -17.783 -9.520 1.00 62.42 C ATOM 616 CD1 LEU A 43 -9.293 -16.792 -10.492 1.00 51.24 C ATOM 617 CD2 LEU A 43 -10.161 -17.125 -8.170 1.00 42.21 C ATOM 0 H LEU A 43 -10.534 -19.575 -7.979 1.00 40.54 H new ATOM 0 HA LEU A 43 -12.512 -20.063 -10.069 1.00 63.50 H new ATOM 0 HB2 LEU A 43 -11.223 -18.174 -11.165 1.00 50.44 H new ATOM 0 HB3 LEU A 43 -12.047 -17.779 -9.670 1.00 50.44 H new ATOM 0 HG LEU A 43 -9.216 -18.608 -9.377 1.00 62.42 H new ATOM 0 HD11 LEU A 43 -8.367 -16.401 -10.071 1.00 51.24 H new ATOM 0 HD12 LEU A 43 -9.079 -17.293 -11.436 1.00 51.24 H new ATOM 0 HD13 LEU A 43 -9.987 -15.970 -10.667 1.00 51.24 H new ATOM 0 HD21 LEU A 43 -9.223 -16.730 -7.781 1.00 42.21 H new ATOM 0 HD22 LEU A 43 -10.876 -16.311 -8.287 1.00 42.21 H new ATOM 0 HD23 LEU A 43 -10.561 -17.862 -7.474 1.00 42.21 H new ATOM 629 N ILE A 44 -11.200 -21.465 -11.611 1.00 21.31 N ATOM 630 CA ILE A 44 -10.461 -22.317 -12.535 1.00 65.53 C ATOM 631 C ILE A 44 -10.244 -21.617 -13.872 1.00 4.02 C ATOM 632 O ILE A 44 -11.187 -21.412 -14.638 1.00 24.12 O ATOM 633 CB ILE A 44 -11.191 -23.651 -12.778 1.00 53.24 C ATOM 634 CG1 ILE A 44 -11.365 -24.410 -11.461 1.00 74.33 C ATOM 635 CG2 ILE A 44 -10.428 -24.496 -13.786 1.00 30.21 C ATOM 636 CD1 ILE A 44 -12.665 -24.102 -10.752 1.00 1.45 C ATOM 0 H ILE A 44 -12.214 -21.533 -11.694 1.00 21.31 H new ATOM 0 HA ILE A 44 -9.495 -22.521 -12.073 1.00 65.53 H new ATOM 0 HB ILE A 44 -12.179 -23.438 -13.186 1.00 53.24 H new ATOM 0 HG12 ILE A 44 -11.314 -25.481 -11.659 1.00 74.33 H new ATOM 0 HG13 ILE A 44 -10.534 -24.168 -10.799 1.00 74.33 H new ATOM 0 HG21 ILE A 44 -10.956 -25.436 -13.947 1.00 30.21 H new ATOM 0 HG22 ILE A 44 -10.352 -23.956 -14.730 1.00 30.21 H new ATOM 0 HG23 ILE A 44 -9.428 -24.703 -13.405 1.00 30.21 H new ATOM 0 HD11 ILE A 44 -12.720 -24.676 -9.827 1.00 1.45 H new ATOM 0 HD12 ILE A 44 -12.711 -23.037 -10.522 1.00 1.45 H new ATOM 0 HD13 ILE A 44 -13.503 -24.371 -11.395 1.00 1.45 H new ATOM 648 N LEU A 45 -8.996 -21.256 -14.149 1.00 43.35 N ATOM 649 CA LEU A 45 -8.654 -20.581 -15.396 1.00 3.23 C ATOM 650 C LEU A 45 -8.458 -21.589 -16.524 1.00 11.21 C ATOM 651 O LEU A 45 -7.421 -22.244 -16.612 1.00 74.13 O ATOM 652 CB LEU A 45 -7.384 -19.747 -15.216 1.00 44.40 C ATOM 653 CG LEU A 45 -7.591 -18.251 -14.979 1.00 62.25 C ATOM 654 CD1 LEU A 45 -7.566 -17.938 -13.491 1.00 40.02 C ATOM 655 CD2 LEU A 45 -6.532 -17.442 -15.714 1.00 41.32 C ATOM 0 H LEU A 45 -8.204 -21.419 -13.527 1.00 43.35 H new ATOM 0 HA LEU A 45 -9.480 -19.921 -15.662 1.00 3.23 H new ATOM 0 HB2 LEU A 45 -6.823 -20.153 -14.375 1.00 44.40 H new ATOM 0 HB3 LEU A 45 -6.763 -19.871 -16.103 1.00 44.40 H new ATOM 0 HG LEU A 45 -8.569 -17.973 -15.372 1.00 62.25 H new ATOM 0 HD11 LEU A 45 -7.715 -16.869 -13.342 1.00 40.02 H new ATOM 0 HD12 LEU A 45 -8.362 -18.489 -12.990 1.00 40.02 H new ATOM 0 HD13 LEU A 45 -6.603 -18.232 -13.073 1.00 40.02 H new ATOM 0 HD21 LEU A 45 -6.696 -16.380 -15.534 1.00 41.32 H new ATOM 0 HD22 LEU A 45 -5.543 -17.724 -15.352 1.00 41.32 H new ATOM 0 HD23 LEU A 45 -6.598 -17.643 -16.783 1.00 41.32 H new ATOM 667 N VAL A 46 -9.463 -21.705 -17.387 1.00 2.42 N ATOM 668 CA VAL A 46 -9.401 -22.630 -18.512 1.00 64.44 C ATOM 669 C VAL A 46 -8.807 -21.957 -19.745 1.00 14.45 C ATOM 670 O VAL A 46 -9.464 -21.150 -20.402 1.00 14.22 O ATOM 671 CB VAL A 46 -10.796 -23.180 -18.865 1.00 13.24 C ATOM 672 CG1 VAL A 46 -10.717 -24.098 -20.076 1.00 34.10 C ATOM 673 CG2 VAL A 46 -11.396 -23.909 -17.672 1.00 71.13 C ATOM 0 H VAL A 46 -10.329 -21.170 -17.328 1.00 2.42 H new ATOM 0 HA VAL A 46 -8.759 -23.456 -18.206 1.00 64.44 H new ATOM 0 HB VAL A 46 -11.446 -22.342 -19.116 1.00 13.24 H new ATOM 0 HG11 VAL A 46 -11.712 -24.477 -20.311 1.00 34.10 H new ATOM 0 HG12 VAL A 46 -10.330 -23.542 -20.930 1.00 34.10 H new ATOM 0 HG13 VAL A 46 -10.053 -24.934 -19.856 1.00 34.10 H new ATOM 0 HG21 VAL A 46 -12.382 -24.292 -17.937 1.00 71.13 H new ATOM 0 HG22 VAL A 46 -10.748 -24.739 -17.390 1.00 71.13 H new ATOM 0 HG23 VAL A 46 -11.489 -23.219 -16.833 1.00 71.13 H new ATOM 683 N ASP A 47 -7.559 -22.295 -20.053 1.00 71.33 N ATOM 684 CA ASP A 47 -6.875 -21.724 -21.207 1.00 75.44 C ATOM 685 C ASP A 47 -6.794 -22.737 -22.346 1.00 44.42 C ATOM 686 O ASP A 47 -6.279 -23.842 -22.172 1.00 2.15 O ATOM 687 CB ASP A 47 -5.470 -21.262 -20.818 1.00 2.13 C ATOM 688 CG ASP A 47 -4.777 -20.511 -21.938 1.00 51.30 C ATOM 689 OD1 ASP A 47 -5.452 -20.173 -22.933 1.00 25.30 O ATOM 690 OD2 ASP A 47 -3.559 -20.260 -21.819 1.00 35.11 O ATOM 0 H ASP A 47 -7.001 -22.961 -19.519 1.00 71.33 H new ATOM 0 HA ASP A 47 -7.449 -20.863 -21.550 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.532 -20.621 -19.939 1.00 2.13 H new ATOM 0 HB3 ASP A 47 -4.870 -22.128 -20.540 1.00 2.13 H new ATOM 695 N PHE A 48 -7.305 -22.353 -23.510 1.00 52.31 N ATOM 696 CA PHE A 48 -7.293 -23.228 -24.677 1.00 61.22 C ATOM 697 C PHE A 48 -6.477 -22.613 -25.809 1.00 3.21 C ATOM 698 O PHE A 48 -6.940 -22.526 -26.947 1.00 44.32 O ATOM 699 CB PHE A 48 -8.722 -23.500 -25.152 1.00 14.53 C ATOM 700 CG PHE A 48 -9.647 -22.331 -24.969 1.00 12.12 C ATOM 701 CD1 PHE A 48 -9.460 -21.163 -25.690 1.00 52.21 C ATOM 702 CD2 PHE A 48 -10.705 -22.401 -24.077 1.00 11.40 C ATOM 703 CE1 PHE A 48 -10.310 -20.085 -25.525 1.00 54.22 C ATOM 704 CE2 PHE A 48 -11.559 -21.327 -23.907 1.00 0.41 C ATOM 705 CZ PHE A 48 -11.360 -20.167 -24.631 1.00 2.15 C ATOM 0 H PHE A 48 -7.733 -21.441 -23.671 1.00 52.31 H new ATOM 0 HA PHE A 48 -6.828 -24.171 -24.388 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -8.700 -23.774 -26.207 1.00 14.53 H new ATOM 0 HB3 PHE A 48 -9.120 -24.357 -24.608 1.00 14.53 H new ATOM 0 HD1 PHE A 48 -8.640 -21.094 -26.390 1.00 52.21 H new ATOM 0 HD2 PHE A 48 -10.864 -23.305 -23.508 1.00 11.40 H new ATOM 0 HE1 PHE A 48 -10.153 -19.181 -26.094 1.00 54.22 H new ATOM 0 HE2 PHE A 48 -12.381 -21.395 -23.209 1.00 0.41 H new ATOM 0 HZ PHE A 48 -12.024 -19.326 -24.498 1.00 2.15 H new ATOM 884 N GLU A 60 3.062 -18.093 -22.161 1.00 12.25 N ATOM 885 CA GLU A 60 2.621 -17.282 -21.033 1.00 32.45 C ATOM 886 C GLU A 60 2.778 -18.045 -19.720 1.00 55.42 C ATOM 887 O GLU A 60 1.804 -18.481 -19.105 1.00 62.12 O ATOM 888 CB GLU A 60 1.161 -16.861 -21.218 1.00 30.34 C ATOM 889 CG GLU A 60 0.839 -16.387 -22.626 1.00 32.33 C ATOM 890 CD GLU A 60 1.927 -15.506 -23.208 1.00 23.13 C ATOM 891 OE1 GLU A 60 2.551 -14.746 -22.439 1.00 50.14 O ATOM 892 OE2 GLU A 60 2.155 -15.578 -24.434 1.00 35.42 O ATOM 0 HA GLU A 60 3.247 -16.390 -20.993 1.00 32.45 H new ATOM 0 HB2 GLU A 60 0.514 -17.703 -20.970 1.00 30.34 H new ATOM 0 HB3 GLU A 60 0.929 -16.063 -20.513 1.00 30.34 H new ATOM 0 HG2 GLU A 60 0.693 -17.253 -23.272 1.00 32.33 H new ATOM 0 HG3 GLU A 60 -0.102 -15.836 -22.614 1.00 32.33 H new ATOM 899 N PRO A 61 4.034 -18.211 -19.279 1.00 14.41 N ATOM 900 CA PRO A 61 4.350 -18.921 -18.036 1.00 50.20 C ATOM 901 C PRO A 61 3.914 -18.145 -16.798 1.00 41.53 C ATOM 902 O PRO A 61 3.820 -18.703 -15.706 1.00 22.32 O ATOM 903 CB PRO A 61 5.875 -19.049 -18.079 1.00 62.02 C ATOM 904 CG PRO A 61 6.326 -17.919 -18.938 1.00 1.52 C ATOM 905 CD PRO A 61 5.243 -17.717 -19.961 1.00 3.21 C ATOM 0 HA PRO A 61 3.830 -19.877 -17.969 1.00 50.20 H new ATOM 0 HB2 PRO A 61 6.306 -18.983 -17.080 1.00 62.02 H new ATOM 0 HB3 PRO A 61 6.180 -20.009 -18.495 1.00 62.02 H new ATOM 0 HG2 PRO A 61 6.477 -17.016 -18.347 1.00 1.52 H new ATOM 0 HG3 PRO A 61 7.277 -18.149 -19.418 1.00 1.52 H new ATOM 0 HD2 PRO A 61 5.146 -16.668 -20.242 1.00 3.21 H new ATOM 0 HD3 PRO A 61 5.445 -18.275 -20.876 1.00 3.21 H new ATOM 913 N GLN A 62 3.648 -16.854 -16.978 1.00 11.15 N ATOM 914 CA GLN A 62 3.223 -16.002 -15.874 1.00 4.33 C ATOM 915 C GLN A 62 1.998 -16.585 -15.177 1.00 54.12 C ATOM 916 O GLN A 62 1.842 -16.459 -13.962 1.00 64.54 O ATOM 917 CB GLN A 62 2.914 -14.593 -16.380 1.00 70.43 C ATOM 918 CG GLN A 62 4.068 -13.950 -17.132 1.00 42.43 C ATOM 919 CD GLN A 62 3.618 -12.822 -18.040 1.00 2.22 C ATOM 920 OE1 GLN A 62 4.149 -11.713 -17.982 1.00 72.41 O ATOM 921 NE2 GLN A 62 2.634 -13.101 -18.887 1.00 53.33 N ATOM 0 H GLN A 62 3.719 -16.377 -17.877 1.00 11.15 H new ATOM 0 HA GLN A 62 4.039 -15.951 -15.153 1.00 4.33 H new ATOM 0 HB2 GLN A 62 2.043 -14.634 -17.034 1.00 70.43 H new ATOM 0 HB3 GLN A 62 2.647 -13.962 -15.532 1.00 70.43 H new ATOM 0 HG2 GLN A 62 4.794 -13.567 -16.416 1.00 42.43 H new ATOM 0 HG3 GLN A 62 4.577 -14.709 -17.727 1.00 42.43 H new ATOM 0 HE21 GLN A 62 2.223 -14.034 -18.901 1.00 53.33 H new ATOM 0 HE22 GLN A 62 2.290 -12.382 -19.523 1.00 53.33 H new ATOM 930 N LEU A 63 1.128 -17.222 -15.955 1.00 3.30 N ATOM 931 CA LEU A 63 -0.085 -17.824 -15.412 1.00 51.52 C ATOM 932 C LEU A 63 0.254 -18.947 -14.438 1.00 11.10 C ATOM 933 O LEU A 63 -0.282 -19.003 -13.332 1.00 50.22 O ATOM 934 CB LEU A 63 -0.961 -18.363 -16.545 1.00 63.14 C ATOM 935 CG LEU A 63 -1.843 -17.337 -17.257 1.00 4.31 C ATOM 936 CD1 LEU A 63 -2.803 -16.685 -16.273 1.00 33.34 C ATOM 937 CD2 LEU A 63 -0.989 -16.284 -17.947 1.00 44.21 C ATOM 0 H LEU A 63 1.240 -17.335 -16.963 1.00 3.30 H new ATOM 0 HA LEU A 63 -0.634 -17.053 -14.872 1.00 51.52 H new ATOM 0 HB2 LEU A 63 -0.314 -18.833 -17.286 1.00 63.14 H new ATOM 0 HB3 LEU A 63 -1.603 -19.146 -16.140 1.00 63.14 H new ATOM 0 HG LEU A 63 -2.428 -17.855 -18.017 1.00 4.31 H new ATOM 0 HD11 LEU A 63 -3.423 -15.958 -16.797 1.00 33.34 H new ATOM 0 HD12 LEU A 63 -3.439 -17.448 -15.825 1.00 33.34 H new ATOM 0 HD13 LEU A 63 -2.235 -16.181 -15.491 1.00 33.34 H new ATOM 0 HD21 LEU A 63 -1.635 -15.563 -18.448 1.00 44.21 H new ATOM 0 HD22 LEU A 63 -0.377 -15.770 -17.206 1.00 44.21 H new ATOM 0 HD23 LEU A 63 -0.343 -16.764 -18.682 1.00 44.21 H new ATOM 949 N GLU A 64 1.148 -19.838 -14.857 1.00 45.21 N ATOM 950 CA GLU A 64 1.558 -20.959 -14.019 1.00 2.31 C ATOM 951 C GLU A 64 2.403 -20.478 -12.843 1.00 45.41 C ATOM 952 O GLU A 64 2.345 -21.042 -11.750 1.00 21.22 O ATOM 953 CB GLU A 64 2.346 -21.978 -14.844 1.00 23.31 C ATOM 954 CG GLU A 64 1.714 -22.292 -16.189 1.00 22.31 C ATOM 955 CD GLU A 64 2.056 -23.683 -16.685 1.00 12.53 C ATOM 956 OE1 GLU A 64 1.983 -24.634 -15.878 1.00 51.52 O ATOM 957 OE2 GLU A 64 2.394 -23.823 -17.878 1.00 32.21 O ATOM 0 H GLU A 64 1.601 -19.805 -15.770 1.00 45.21 H new ATOM 0 HA GLU A 64 0.659 -21.436 -13.627 1.00 2.31 H new ATOM 0 HB2 GLU A 64 3.355 -21.599 -15.006 1.00 23.31 H new ATOM 0 HB3 GLU A 64 2.440 -22.901 -14.272 1.00 23.31 H new ATOM 0 HG2 GLU A 64 0.631 -22.195 -16.109 1.00 22.31 H new ATOM 0 HG3 GLU A 64 2.046 -21.557 -16.922 1.00 22.31 H new ATOM 964 N LYS A 65 3.189 -19.432 -13.074 1.00 53.21 N ATOM 965 CA LYS A 65 4.047 -18.874 -12.036 1.00 34.44 C ATOM 966 C LYS A 65 3.216 -18.346 -10.871 1.00 3.12 C ATOM 967 O LYS A 65 3.461 -18.690 -9.714 1.00 2.53 O ATOM 968 CB LYS A 65 4.912 -17.750 -12.610 1.00 20.12 C ATOM 969 CG LYS A 65 6.119 -17.413 -11.753 1.00 22.54 C ATOM 970 CD LYS A 65 7.133 -16.581 -12.520 1.00 64.11 C ATOM 971 CE LYS A 65 8.153 -15.945 -11.588 1.00 75.14 C ATOM 972 NZ LYS A 65 9.379 -15.516 -12.315 1.00 55.11 N ATOM 0 H LYS A 65 3.249 -18.953 -13.973 1.00 53.21 H new ATOM 0 HA LYS A 65 4.694 -19.670 -11.667 1.00 34.44 H new ATOM 0 HB2 LYS A 65 5.252 -18.037 -13.605 1.00 20.12 H new ATOM 0 HB3 LYS A 65 4.300 -16.856 -12.728 1.00 20.12 H new ATOM 0 HG2 LYS A 65 5.796 -16.868 -10.866 1.00 22.54 H new ATOM 0 HG3 LYS A 65 6.589 -18.334 -11.407 1.00 22.54 H new ATOM 0 HD2 LYS A 65 7.646 -17.211 -13.247 1.00 64.11 H new ATOM 0 HD3 LYS A 65 6.616 -15.802 -13.081 1.00 64.11 H new ATOM 0 HE2 LYS A 65 7.705 -15.084 -11.093 1.00 75.14 H new ATOM 0 HE3 LYS A 65 8.424 -16.656 -10.807 1.00 75.14 H new ATOM 0 HZ1 LYS A 65 10.048 -15.088 -11.644 1.00 55.11 H new ATOM 0 HZ2 LYS A 65 9.822 -16.342 -12.767 1.00 55.11 H new ATOM 0 HZ3 LYS A 65 9.125 -14.818 -13.043 1.00 55.11 H new ATOM 986 N LEU A 66 2.231 -17.509 -11.183 1.00 62.23 N ATOM 987 CA LEU A 66 1.364 -16.934 -10.161 1.00 42.40 C ATOM 988 C LEU A 66 0.362 -17.968 -9.654 1.00 34.31 C ATOM 989 O LEU A 66 -0.058 -17.924 -8.498 1.00 43.55 O ATOM 990 CB LEU A 66 0.621 -15.720 -10.719 1.00 35.22 C ATOM 991 CG LEU A 66 1.371 -14.388 -10.658 1.00 12.31 C ATOM 992 CD1 LEU A 66 1.602 -13.972 -9.212 1.00 3.13 C ATOM 993 CD2 LEU A 66 2.693 -14.485 -11.403 1.00 20.50 C ATOM 0 H LEU A 66 2.014 -17.214 -12.135 1.00 62.23 H new ATOM 0 HA LEU A 66 1.988 -16.618 -9.325 1.00 42.40 H new ATOM 0 HB2 LEU A 66 0.364 -15.922 -11.759 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -0.317 -15.611 -10.175 1.00 35.22 H new ATOM 0 HG LEU A 66 0.759 -13.626 -11.142 1.00 12.31 H new ATOM 0 HD11 LEU A 66 2.137 -13.022 -9.188 1.00 3.13 H new ATOM 0 HD12 LEU A 66 0.642 -13.861 -8.708 1.00 3.13 H new ATOM 0 HD13 LEU A 66 2.193 -14.734 -8.704 1.00 3.13 H new ATOM 0 HD21 LEU A 66 3.212 -13.528 -11.349 1.00 20.50 H new ATOM 0 HD22 LEU A 66 3.311 -15.259 -10.948 1.00 20.50 H new ATOM 0 HD23 LEU A 66 2.505 -14.737 -12.447 1.00 20.50 H new ATOM 1005 N ALA A 67 -0.014 -18.896 -10.526 1.00 62.40 N ATOM 1006 CA ALA A 67 -0.964 -19.943 -10.166 1.00 31.15 C ATOM 1007 C ALA A 67 -0.504 -20.696 -8.922 1.00 1.14 C ATOM 1008 O ALA A 67 -1.323 -21.165 -8.132 1.00 75.05 O ATOM 1009 CB ALA A 67 -1.153 -20.906 -11.328 1.00 20.14 C ATOM 0 H ALA A 67 0.324 -18.945 -11.487 1.00 62.40 H new ATOM 0 HA ALA A 67 -1.920 -19.471 -9.941 1.00 31.15 H new ATOM 0 HB1 ALA A 67 -1.864 -21.682 -11.045 1.00 20.14 H new ATOM 0 HB2 ALA A 67 -1.533 -20.362 -12.193 1.00 20.14 H new ATOM 0 HB3 ALA A 67 -0.197 -21.365 -11.580 1.00 20.14 H new ATOM 1015 N GLN A 68 0.809 -20.805 -8.754 1.00 12.15 N ATOM 1016 CA GLN A 68 1.376 -21.503 -7.606 1.00 64.31 C ATOM 1017 C GLN A 68 1.386 -20.604 -6.373 1.00 50.20 C ATOM 1018 O GLN A 68 1.267 -21.082 -5.246 1.00 5.42 O ATOM 1019 CB GLN A 68 2.799 -21.973 -7.919 1.00 4.24 C ATOM 1020 CG GLN A 68 2.851 -23.155 -8.873 1.00 32.35 C ATOM 1021 CD GLN A 68 4.266 -23.638 -9.125 1.00 43.12 C ATOM 1022 OE1 GLN A 68 4.953 -24.091 -8.208 1.00 72.41 O ATOM 1023 NE2 GLN A 68 4.711 -23.544 -10.373 1.00 1.41 N ATOM 0 H GLN A 68 1.500 -20.419 -9.397 1.00 12.15 H new ATOM 0 HA GLN A 68 0.751 -22.371 -7.396 1.00 64.31 H new ATOM 0 HB2 GLN A 68 3.361 -21.144 -8.349 1.00 4.24 H new ATOM 0 HB3 GLN A 68 3.296 -22.245 -6.988 1.00 4.24 H new ATOM 0 HG2 GLN A 68 2.259 -23.974 -8.464 1.00 32.35 H new ATOM 0 HG3 GLN A 68 2.393 -22.873 -9.821 1.00 32.35 H new ATOM 0 HE21 GLN A 68 4.108 -23.162 -11.102 1.00 1.41 H new ATOM 0 HE22 GLN A 68 5.655 -23.853 -10.602 1.00 1.41 H new ATOM 1032 N GLN A 69 1.529 -19.301 -6.598 1.00 75.41 N ATOM 1033 CA GLN A 69 1.554 -18.337 -5.504 1.00 73.40 C ATOM 1034 C GLN A 69 0.152 -18.104 -4.951 1.00 43.13 C ATOM 1035 O GLN A 69 -0.014 -17.734 -3.788 1.00 45.10 O ATOM 1036 CB GLN A 69 2.153 -17.012 -5.979 1.00 50.41 C ATOM 1037 CG GLN A 69 3.603 -17.125 -6.425 1.00 72.14 C ATOM 1038 CD GLN A 69 4.328 -15.795 -6.396 1.00 5.22 C ATOM 1039 OE1 GLN A 69 4.371 -15.120 -5.367 1.00 1.33 O ATOM 1040 NE2 GLN A 69 4.902 -15.409 -7.530 1.00 61.43 N ATOM 0 H GLN A 69 1.629 -18.890 -7.526 1.00 75.41 H new ATOM 0 HA GLN A 69 2.176 -18.745 -4.707 1.00 73.40 H new ATOM 0 HB2 GLN A 69 1.556 -16.629 -6.806 1.00 50.41 H new ATOM 0 HB3 GLN A 69 2.085 -16.282 -5.172 1.00 50.41 H new ATOM 0 HG2 GLN A 69 4.124 -17.832 -5.779 1.00 72.14 H new ATOM 0 HG3 GLN A 69 3.638 -17.531 -7.436 1.00 72.14 H new ATOM 0 HE21 GLN A 69 4.842 -16.000 -8.359 1.00 61.43 H new ATOM 0 HE22 GLN A 69 5.403 -14.522 -7.572 1.00 61.43 H new ATOM 1049 N TYR A 70 -0.854 -18.322 -5.791 1.00 25.32 N ATOM 1050 CA TYR A 70 -2.242 -18.133 -5.385 1.00 13.24 C ATOM 1051 C TYR A 70 -3.053 -19.406 -5.613 1.00 13.40 C ATOM 1052 O TYR A 70 -4.278 -19.363 -5.734 1.00 60.12 O ATOM 1053 CB TYR A 70 -2.867 -16.972 -6.159 1.00 73.14 C ATOM 1054 CG TYR A 70 -2.160 -15.653 -5.947 1.00 2.41 C ATOM 1055 CD1 TYR A 70 -1.896 -15.181 -4.667 1.00 41.41 C ATOM 1056 CD2 TYR A 70 -1.755 -14.877 -7.027 1.00 54.44 C ATOM 1057 CE1 TYR A 70 -1.249 -13.977 -4.469 1.00 63.31 C ATOM 1058 CE2 TYR A 70 -1.108 -13.672 -6.838 1.00 43.53 C ATOM 1059 CZ TYR A 70 -0.858 -13.225 -5.557 1.00 60.24 C ATOM 1060 OH TYR A 70 -0.213 -12.026 -5.364 1.00 32.23 O ATOM 0 H TYR A 70 -0.735 -18.629 -6.756 1.00 25.32 H new ATOM 0 HA TYR A 70 -2.255 -17.900 -4.320 1.00 13.24 H new ATOM 0 HB2 TYR A 70 -2.862 -17.211 -7.223 1.00 73.14 H new ATOM 0 HB3 TYR A 70 -3.910 -16.867 -5.861 1.00 73.14 H new ATOM 0 HD1 TYR A 70 -2.202 -15.766 -3.812 1.00 41.41 H new ATOM 0 HD2 TYR A 70 -1.950 -15.223 -8.031 1.00 54.44 H new ATOM 0 HE1 TYR A 70 -1.050 -13.626 -3.467 1.00 63.31 H new ATOM 0 HE2 TYR A 70 -0.799 -13.082 -7.689 1.00 43.53 H new ATOM 0 HH TYR A 70 -0.005 -11.623 -6.233 1.00 32.23 H new ATOM 1070 N THR A 71 -2.361 -20.540 -5.668 1.00 53.31 N ATOM 1071 CA THR A 71 -3.015 -21.824 -5.880 1.00 63.45 C ATOM 1072 C THR A 71 -4.099 -22.069 -4.838 1.00 25.02 C ATOM 1073 O THR A 71 -5.024 -22.849 -5.062 1.00 11.42 O ATOM 1074 CB THR A 71 -2.002 -22.984 -5.833 1.00 51.51 C ATOM 1075 OG1 THR A 71 -2.621 -24.194 -6.286 1.00 70.04 O ATOM 1076 CG2 THR A 71 -1.468 -23.179 -4.423 1.00 62.15 C ATOM 0 H THR A 71 -1.347 -20.594 -5.569 1.00 53.31 H new ATOM 0 HA THR A 71 -3.470 -21.787 -6.870 1.00 63.45 H new ATOM 0 HB THR A 71 -1.168 -22.735 -6.489 1.00 51.51 H new ATOM 0 HG1 THR A 71 -1.970 -24.926 -6.255 1.00 70.04 H new ATOM 0 HG21 THR A 71 -0.755 -24.003 -4.415 1.00 62.15 H new ATOM 0 HG22 THR A 71 -0.972 -22.267 -4.092 1.00 62.15 H new ATOM 0 HG23 THR A 71 -2.294 -23.407 -3.749 1.00 62.15 H new ATOM 1084 N GLU A 72 -3.980 -21.396 -3.698 1.00 42.03 N ATOM 1085 CA GLU A 72 -4.952 -21.541 -2.620 1.00 25.13 C ATOM 1086 C GLU A 72 -6.366 -21.268 -3.123 1.00 64.22 C ATOM 1087 O GLU A 72 -7.319 -21.934 -2.719 1.00 31.12 O ATOM 1088 CB GLU A 72 -4.616 -20.590 -1.469 1.00 62.10 C ATOM 1089 CG GLU A 72 -3.419 -21.032 -0.645 1.00 10.13 C ATOM 1090 CD GLU A 72 -3.808 -21.925 0.517 1.00 41.34 C ATOM 1091 OE1 GLU A 72 -4.445 -21.420 1.465 1.00 3.33 O ATOM 1092 OE2 GLU A 72 -3.475 -23.128 0.480 1.00 54.20 O ATOM 0 H GLU A 72 -3.221 -20.745 -3.497 1.00 42.03 H new ATOM 0 HA GLU A 72 -4.905 -22.568 -2.258 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -4.421 -19.597 -1.874 1.00 62.10 H new ATOM 0 HB3 GLU A 72 -5.484 -20.503 -0.816 1.00 62.10 H new ATOM 0 HG2 GLU A 72 -2.717 -21.563 -1.287 1.00 10.13 H new ATOM 0 HG3 GLU A 72 -2.900 -20.152 -0.264 1.00 10.13 H new ATOM 1099 N ASN A 73 -6.494 -20.285 -4.007 1.00 43.45 N ATOM 1100 CA ASN A 73 -7.793 -19.923 -4.565 1.00 72.45 C ATOM 1101 C ASN A 73 -7.689 -19.674 -6.067 1.00 43.54 C ATOM 1102 O ASN A 73 -8.511 -18.967 -6.649 1.00 5.44 O ATOM 1103 CB ASN A 73 -8.341 -18.675 -3.868 1.00 62.14 C ATOM 1104 CG ASN A 73 -9.855 -18.608 -3.909 1.00 62.35 C ATOM 1105 OD1 ASN A 73 -10.433 -17.823 -4.661 1.00 54.33 O ATOM 1106 ND2 ASN A 73 -10.506 -19.434 -3.098 1.00 12.25 N ATOM 0 H ASN A 73 -5.715 -19.724 -4.353 1.00 43.45 H new ATOM 0 HA ASN A 73 -8.477 -20.755 -4.398 1.00 72.45 H new ATOM 0 HB2 ASN A 73 -8.008 -18.666 -2.830 1.00 62.14 H new ATOM 0 HB3 ASN A 73 -7.928 -17.786 -4.344 1.00 62.14 H new ATOM 0 HD21 ASN A 73 -11.526 -19.434 -3.082 1.00 12.25 H new ATOM 0 HD22 ASN A 73 -9.986 -20.068 -2.491 1.00 12.25 H new ATOM 1113 N VAL A 74 -6.673 -20.263 -6.690 1.00 43.23 N ATOM 1114 CA VAL A 74 -6.462 -20.109 -8.124 1.00 42.34 C ATOM 1115 C VAL A 74 -6.121 -21.444 -8.777 1.00 24.52 C ATOM 1116 O VAL A 74 -5.299 -22.205 -8.265 1.00 11.33 O ATOM 1117 CB VAL A 74 -5.336 -19.101 -8.421 1.00 72.22 C ATOM 1118 CG1 VAL A 74 -5.157 -18.926 -9.921 1.00 21.22 C ATOM 1119 CG2 VAL A 74 -5.626 -17.766 -7.751 1.00 13.41 C ATOM 0 H VAL A 74 -5.983 -20.852 -6.223 1.00 43.23 H new ATOM 0 HA VAL A 74 -7.396 -19.732 -8.542 1.00 42.34 H new ATOM 0 HB VAL A 74 -4.405 -19.493 -8.012 1.00 72.22 H new ATOM 0 HG11 VAL A 74 -4.357 -18.210 -10.111 1.00 21.22 H new ATOM 0 HG12 VAL A 74 -4.900 -19.885 -10.371 1.00 21.22 H new ATOM 0 HG13 VAL A 74 -6.085 -18.557 -10.358 1.00 21.22 H new ATOM 0 HG21 VAL A 74 -4.820 -17.066 -7.971 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -6.567 -17.366 -8.128 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -5.698 -17.908 -6.673 1.00 13.41 H new ATOM 1129 N LYS A 75 -6.756 -21.722 -9.910 1.00 41.33 N ATOM 1130 CA LYS A 75 -6.518 -22.964 -10.635 1.00 54.30 C ATOM 1131 C LYS A 75 -6.377 -22.703 -12.131 1.00 41.22 C ATOM 1132 O LYS A 75 -6.756 -21.640 -12.623 1.00 54.54 O ATOM 1133 CB LYS A 75 -7.662 -23.951 -10.386 1.00 44.23 C ATOM 1134 CG LYS A 75 -7.520 -24.731 -9.091 1.00 44.22 C ATOM 1135 CD LYS A 75 -6.475 -25.827 -9.212 1.00 22.44 C ATOM 1136 CE LYS A 75 -6.538 -26.790 -8.035 1.00 73.13 C ATOM 1137 NZ LYS A 75 -7.868 -27.452 -7.932 1.00 54.32 N ATOM 0 H LYS A 75 -7.440 -21.104 -10.346 1.00 41.33 H new ATOM 0 HA LYS A 75 -5.586 -23.395 -10.269 1.00 54.30 H new ATOM 0 HB2 LYS A 75 -8.605 -23.405 -10.370 1.00 44.23 H new ATOM 0 HB3 LYS A 75 -7.714 -24.652 -11.219 1.00 44.23 H new ATOM 0 HG2 LYS A 75 -7.244 -24.052 -8.284 1.00 44.22 H new ATOM 0 HG3 LYS A 75 -8.481 -25.171 -8.823 1.00 44.22 H new ATOM 0 HD2 LYS A 75 -6.628 -26.376 -10.141 1.00 22.44 H new ATOM 0 HD3 LYS A 75 -5.482 -25.380 -9.265 1.00 22.44 H new ATOM 0 HE2 LYS A 75 -5.762 -27.548 -8.144 1.00 73.13 H new ATOM 0 HE3 LYS A 75 -6.329 -26.250 -7.112 1.00 73.13 H new ATOM 0 HZ1 LYS A 75 -7.778 -28.327 -7.378 1.00 54.32 H new ATOM 0 HZ2 LYS A 75 -8.539 -26.812 -7.461 1.00 54.32 H new ATOM 0 HZ3 LYS A 75 -8.217 -27.680 -8.885 1.00 54.32 H new ATOM 1151 N ILE A 76 -5.829 -23.678 -12.849 1.00 32.00 N ATOM 1152 CA ILE A 76 -5.639 -23.553 -14.288 1.00 74.21 C ATOM 1153 C ILE A 76 -5.728 -24.911 -14.975 1.00 73.53 C ATOM 1154 O ILE A 76 -5.105 -25.880 -14.540 1.00 22.14 O ATOM 1155 CB ILE A 76 -4.280 -22.908 -14.623 1.00 4.33 C ATOM 1156 CG1 ILE A 76 -4.192 -21.508 -14.014 1.00 15.14 C ATOM 1157 CG2 ILE A 76 -4.080 -22.849 -16.130 1.00 3.40 C ATOM 1158 CD1 ILE A 76 -2.889 -20.800 -14.315 1.00 71.25 C ATOM 0 H ILE A 76 -5.509 -24.563 -12.457 1.00 32.00 H new ATOM 0 HA ILE A 76 -6.438 -22.910 -14.657 1.00 74.21 H new ATOM 0 HB ILE A 76 -3.487 -23.521 -14.194 1.00 4.33 H new ATOM 0 HG12 ILE A 76 -5.019 -20.905 -14.388 1.00 15.14 H new ATOM 0 HG13 ILE A 76 -4.315 -21.582 -12.933 1.00 15.14 H new ATOM 0 HG21 ILE A 76 -3.116 -22.391 -16.351 1.00 3.40 H new ATOM 0 HG22 ILE A 76 -4.105 -23.859 -16.540 1.00 3.40 H new ATOM 0 HG23 ILE A 76 -4.876 -22.255 -16.580 1.00 3.40 H new ATOM 0 HD11 ILE A 76 -2.896 -19.813 -13.852 1.00 71.25 H new ATOM 0 HD12 ILE A 76 -2.058 -21.382 -13.916 1.00 71.25 H new ATOM 0 HD13 ILE A 76 -2.773 -20.694 -15.394 1.00 71.25 H new ATOM 1170 N TYR A 77 -6.504 -24.975 -16.051 1.00 44.05 N ATOM 1171 CA TYR A 77 -6.676 -26.215 -16.797 1.00 41.33 C ATOM 1172 C TYR A 77 -6.755 -25.941 -18.297 1.00 64.33 C ATOM 1173 O TYR A 77 -6.977 -24.807 -18.722 1.00 10.43 O ATOM 1174 CB TYR A 77 -7.938 -26.944 -16.333 1.00 72.10 C ATOM 1175 CG TYR A 77 -7.791 -27.608 -14.983 1.00 12.23 C ATOM 1176 CD1 TYR A 77 -6.652 -28.338 -14.665 1.00 21.01 C ATOM 1177 CD2 TYR A 77 -8.791 -27.504 -14.025 1.00 20.02 C ATOM 1178 CE1 TYR A 77 -6.515 -28.946 -13.433 1.00 1.23 C ATOM 1179 CE2 TYR A 77 -8.662 -28.108 -12.788 1.00 23.03 C ATOM 1180 CZ TYR A 77 -7.522 -28.828 -12.498 1.00 14.33 C ATOM 1181 OH TYR A 77 -7.388 -29.433 -11.268 1.00 41.31 O ATOM 0 H TYR A 77 -7.024 -24.182 -16.426 1.00 44.05 H new ATOM 0 HA TYR A 77 -5.809 -26.848 -16.606 1.00 41.33 H new ATOM 0 HB2 TYR A 77 -8.763 -26.233 -16.291 1.00 72.10 H new ATOM 0 HB3 TYR A 77 -8.204 -27.699 -17.073 1.00 72.10 H new ATOM 0 HD1 TYR A 77 -5.861 -28.431 -15.394 1.00 21.01 H new ATOM 0 HD2 TYR A 77 -9.685 -26.942 -14.250 1.00 20.02 H new ATOM 0 HE1 TYR A 77 -5.624 -29.511 -13.203 1.00 1.23 H new ATOM 0 HE2 TYR A 77 -9.449 -28.017 -12.054 1.00 23.03 H new ATOM 0 HH TYR A 77 -8.184 -29.252 -10.726 1.00 41.31 H new ATOM 1191 N LYS A 78 -6.573 -26.989 -19.093 1.00 23.53 N ATOM 1192 CA LYS A 78 -6.626 -26.865 -20.545 1.00 3.52 C ATOM 1193 C LYS A 78 -7.186 -28.134 -21.179 1.00 53.52 C ATOM 1194 O LYS A 78 -7.696 -29.014 -20.484 1.00 32.22 O ATOM 1195 CB LYS A 78 -5.231 -26.576 -21.104 1.00 32.21 C ATOM 1196 CG LYS A 78 -4.541 -25.398 -20.438 1.00 32.34 C ATOM 1197 CD LYS A 78 -3.438 -24.831 -21.315 1.00 31.11 C ATOM 1198 CE LYS A 78 -2.263 -24.338 -20.484 1.00 21.42 C ATOM 1199 NZ LYS A 78 -2.501 -22.973 -19.941 1.00 41.41 N ATOM 0 H LYS A 78 -6.387 -27.934 -18.757 1.00 23.53 H new ATOM 0 HA LYS A 78 -7.288 -26.035 -20.790 1.00 3.52 H new ATOM 0 HB2 LYS A 78 -4.610 -27.464 -20.986 1.00 32.21 H new ATOM 0 HB3 LYS A 78 -5.310 -26.383 -22.174 1.00 32.21 H new ATOM 0 HG2 LYS A 78 -5.273 -24.620 -20.224 1.00 32.34 H new ATOM 0 HG3 LYS A 78 -4.122 -25.713 -19.482 1.00 32.34 H new ATOM 0 HD2 LYS A 78 -3.096 -25.596 -22.012 1.00 31.11 H new ATOM 0 HD3 LYS A 78 -3.833 -24.009 -21.912 1.00 31.11 H new ATOM 0 HE2 LYS A 78 -2.085 -25.030 -19.661 1.00 21.42 H new ATOM 0 HE3 LYS A 78 -1.362 -24.333 -21.097 1.00 21.42 H new ATOM 0 HZ1 LYS A 78 -1.657 -22.653 -19.424 1.00 41.41 H new ATOM 0 HZ2 LYS A 78 -2.696 -22.317 -20.724 1.00 41.41 H new ATOM 0 HZ3 LYS A 78 -3.316 -22.994 -19.295 1.00 41.41 H new ATOM 1490 N THR A 98 -7.887 -17.663 -25.631 1.00 45.20 N ATOM 1491 CA THR A 98 -8.488 -16.947 -24.513 1.00 23.33 C ATOM 1492 C THR A 98 -8.628 -17.851 -23.293 1.00 42.13 C ATOM 1493 O THR A 98 -8.602 -19.076 -23.410 1.00 12.55 O ATOM 1494 CB THR A 98 -9.874 -16.387 -24.884 1.00 62.14 C ATOM 1495 OG1 THR A 98 -9.843 -15.841 -26.208 1.00 63.21 O ATOM 1496 CG2 THR A 98 -10.306 -15.313 -23.897 1.00 55.04 C ATOM 0 HA THR A 98 -7.822 -16.118 -24.274 1.00 23.33 H new ATOM 0 HB THR A 98 -10.594 -17.204 -24.845 1.00 62.14 H new ATOM 0 HG1 THR A 98 -9.065 -16.192 -26.689 1.00 63.21 H new ATOM 0 HG21 THR A 98 -11.288 -14.933 -24.180 1.00 55.04 H new ATOM 0 HG22 THR A 98 -10.357 -15.739 -22.895 1.00 55.04 H new ATOM 0 HG23 THR A 98 -9.584 -14.497 -23.908 1.00 55.04 H new ATOM 1504 N ILE A 99 -8.776 -17.238 -22.124 1.00 62.15 N ATOM 1505 CA ILE A 99 -8.922 -17.989 -20.882 1.00 43.54 C ATOM 1506 C ILE A 99 -10.213 -17.613 -20.162 1.00 65.44 C ATOM 1507 O ILE A 99 -10.537 -16.433 -20.018 1.00 5.15 O ATOM 1508 CB ILE A 99 -7.731 -17.748 -19.936 1.00 53.20 C ATOM 1509 CG1 ILE A 99 -6.432 -18.237 -20.581 1.00 62.33 C ATOM 1510 CG2 ILE A 99 -7.963 -18.447 -18.605 1.00 14.24 C ATOM 1511 CD1 ILE A 99 -5.673 -17.149 -21.309 1.00 74.33 C ATOM 0 H ILE A 99 -8.798 -16.225 -22.010 1.00 62.15 H new ATOM 0 HA ILE A 99 -8.953 -19.045 -21.152 1.00 43.54 H new ATOM 0 HB ILE A 99 -7.643 -16.677 -19.752 1.00 53.20 H new ATOM 0 HG12 ILE A 99 -5.790 -18.663 -19.810 1.00 62.33 H new ATOM 0 HG13 ILE A 99 -6.663 -19.039 -21.282 1.00 62.33 H new ATOM 0 HG21 ILE A 99 -7.113 -18.268 -17.947 1.00 14.24 H new ATOM 0 HG22 ILE A 99 -8.869 -18.056 -18.142 1.00 14.24 H new ATOM 0 HG23 ILE A 99 -8.073 -19.519 -18.771 1.00 14.24 H new ATOM 0 HD11 ILE A 99 -4.764 -17.567 -21.741 1.00 74.33 H new ATOM 0 HD12 ILE A 99 -6.297 -16.739 -22.103 1.00 74.33 H new ATOM 0 HD13 ILE A 99 -5.411 -16.357 -20.608 1.00 74.33 H new ATOM 1523 N LEU A 100 -10.946 -18.624 -19.708 1.00 14.13 N ATOM 1524 CA LEU A 100 -12.201 -18.401 -19.000 1.00 74.13 C ATOM 1525 C LEU A 100 -12.118 -18.921 -17.568 1.00 51.03 C ATOM 1526 O LEU A 100 -11.659 -20.037 -17.329 1.00 42.25 O ATOM 1527 CB LEU A 100 -13.354 -19.085 -19.737 1.00 11.41 C ATOM 1528 CG LEU A 100 -13.827 -18.405 -21.022 1.00 23.02 C ATOM 1529 CD1 LEU A 100 -13.529 -19.281 -22.230 1.00 75.25 C ATOM 1530 CD2 LEU A 100 -15.313 -18.090 -20.943 1.00 10.22 C ATOM 0 H LEU A 100 -10.693 -19.606 -19.818 1.00 14.13 H new ATOM 0 HA LEU A 100 -12.385 -17.327 -18.967 1.00 74.13 H new ATOM 0 HB2 LEU A 100 -13.050 -20.103 -19.979 1.00 11.41 H new ATOM 0 HB3 LEU A 100 -14.201 -19.159 -19.056 1.00 11.41 H new ATOM 0 HG LEU A 100 -13.283 -17.467 -21.136 1.00 23.02 H new ATOM 0 HD11 LEU A 100 -13.873 -18.781 -23.136 1.00 75.25 H new ATOM 0 HD12 LEU A 100 -12.455 -19.455 -22.297 1.00 75.25 H new ATOM 0 HD13 LEU A 100 -14.046 -20.235 -22.124 1.00 75.25 H new ATOM 0 HD21 LEU A 100 -15.632 -17.606 -21.866 1.00 10.22 H new ATOM 0 HD22 LEU A 100 -15.874 -19.014 -20.805 1.00 10.22 H new ATOM 0 HD23 LEU A 100 -15.499 -17.423 -20.101 1.00 10.22 H new ATOM 1542 N MET A 101 -12.568 -18.104 -16.621 1.00 44.04 N ATOM 1543 CA MET A 101 -12.548 -18.484 -15.213 1.00 51.33 C ATOM 1544 C MET A 101 -13.899 -19.046 -14.781 1.00 12.11 C ATOM 1545 O MET A 101 -14.925 -18.372 -14.887 1.00 52.43 O ATOM 1546 CB MET A 101 -12.182 -17.279 -14.343 1.00 34.22 C ATOM 1547 CG MET A 101 -10.722 -16.872 -14.453 1.00 12.34 C ATOM 1548 SD MET A 101 -10.354 -15.354 -13.552 1.00 53.14 S ATOM 1549 CE MET A 101 -8.804 -14.876 -14.311 1.00 41.24 C ATOM 0 H MET A 101 -12.950 -17.176 -16.803 1.00 44.04 H new ATOM 0 HA MET A 101 -11.794 -19.260 -15.083 1.00 51.33 H new ATOM 0 HB2 MET A 101 -12.809 -16.433 -14.626 1.00 34.22 H new ATOM 0 HB3 MET A 101 -12.409 -17.510 -13.302 1.00 34.22 H new ATOM 0 HG2 MET A 101 -10.095 -17.678 -14.071 1.00 12.34 H new ATOM 0 HG3 MET A 101 -10.464 -16.738 -15.504 1.00 12.34 H new ATOM 0 HE1 MET A 101 -7.984 -15.073 -13.620 1.00 41.24 H new ATOM 0 HE2 MET A 101 -8.654 -15.451 -15.225 1.00 41.24 H new ATOM 0 HE3 MET A 101 -8.829 -13.813 -14.551 1.00 41.24 H new ATOM 1559 N PHE A 102 -13.892 -20.282 -14.295 1.00 41.14 N ATOM 1560 CA PHE A 102 -15.118 -20.935 -13.849 1.00 22.24 C ATOM 1561 C PHE A 102 -15.039 -21.286 -12.366 1.00 24.11 C ATOM 1562 O PHE A 102 -13.962 -21.572 -11.841 1.00 24.33 O ATOM 1563 CB PHE A 102 -15.376 -22.199 -14.672 1.00 14.11 C ATOM 1564 CG PHE A 102 -15.593 -21.929 -16.133 1.00 43.34 C ATOM 1565 CD1 PHE A 102 -16.784 -21.382 -16.581 1.00 33.42 C ATOM 1566 CD2 PHE A 102 -14.606 -22.224 -17.059 1.00 24.13 C ATOM 1567 CE1 PHE A 102 -16.987 -21.134 -17.925 1.00 43.32 C ATOM 1568 CE2 PHE A 102 -14.802 -21.978 -18.405 1.00 54.11 C ATOM 1569 CZ PHE A 102 -15.994 -21.432 -18.839 1.00 21.31 C ATOM 0 H PHE A 102 -13.052 -20.852 -14.200 1.00 41.14 H new ATOM 0 HA PHE A 102 -15.945 -20.240 -13.996 1.00 22.24 H new ATOM 0 HB2 PHE A 102 -14.530 -22.876 -14.558 1.00 14.11 H new ATOM 0 HB3 PHE A 102 -16.251 -22.711 -14.272 1.00 14.11 H new ATOM 0 HD1 PHE A 102 -17.563 -21.147 -15.871 1.00 33.42 H new ATOM 0 HD2 PHE A 102 -13.672 -22.651 -16.725 1.00 24.13 H new ATOM 0 HE1 PHE A 102 -17.921 -20.708 -18.261 1.00 43.32 H new ATOM 0 HE2 PHE A 102 -14.024 -22.212 -19.116 1.00 54.11 H new ATOM 0 HZ PHE A 102 -16.150 -21.238 -19.890 1.00 21.31 H new ATOM 1579 N LYS A 103 -16.186 -21.261 -11.696 1.00 0.52 N ATOM 1580 CA LYS A 103 -16.249 -21.576 -10.275 1.00 14.34 C ATOM 1581 C LYS A 103 -17.688 -21.832 -9.838 1.00 42.13 C ATOM 1582 O LYS A 103 -18.568 -20.999 -10.050 1.00 4.33 O ATOM 1583 CB LYS A 103 -15.650 -20.434 -9.451 1.00 55.11 C ATOM 1584 CG LYS A 103 -15.692 -20.678 -7.951 1.00 53.23 C ATOM 1585 CD LYS A 103 -15.548 -19.382 -7.172 1.00 73.44 C ATOM 1586 CE LYS A 103 -14.181 -18.750 -7.390 1.00 31.03 C ATOM 1587 NZ LYS A 103 -14.105 -17.379 -6.813 1.00 61.33 N ATOM 0 H LYS A 103 -17.085 -21.025 -12.116 1.00 0.52 H new ATOM 0 HA LYS A 103 -15.669 -22.483 -10.103 1.00 14.34 H new ATOM 0 HB2 LYS A 103 -14.615 -20.281 -9.757 1.00 55.11 H new ATOM 0 HB3 LYS A 103 -16.189 -19.513 -9.676 1.00 55.11 H new ATOM 0 HG2 LYS A 103 -16.633 -21.160 -7.686 1.00 53.23 H new ATOM 0 HG3 LYS A 103 -14.892 -21.363 -7.670 1.00 53.23 H new ATOM 0 HD2 LYS A 103 -16.326 -18.683 -7.479 1.00 73.44 H new ATOM 0 HD3 LYS A 103 -15.695 -19.576 -6.110 1.00 73.44 H new ATOM 0 HE2 LYS A 103 -13.414 -19.378 -6.936 1.00 31.03 H new ATOM 0 HE3 LYS A 103 -13.967 -18.707 -8.458 1.00 31.03 H new ATOM 0 HZ1 LYS A 103 -13.158 -16.983 -6.982 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -14.820 -16.773 -7.264 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -14.284 -17.423 -5.789 1.00 61.33 H new ATOM 1601 N ASN A 104 -17.918 -22.988 -9.224 1.00 42.33 N ATOM 1602 CA ASN A 104 -19.250 -23.353 -8.756 1.00 62.34 C ATOM 1603 C ASN A 104 -20.280 -23.196 -9.870 1.00 50.33 C ATOM 1604 O ASN A 104 -21.404 -22.755 -9.635 1.00 40.20 O ATOM 1605 CB ASN A 104 -19.646 -22.492 -7.556 1.00 11.23 C ATOM 1606 CG ASN A 104 -20.918 -22.978 -6.889 1.00 4.44 C ATOM 1607 OD1 ASN A 104 -21.883 -22.226 -6.746 1.00 62.54 O ATOM 1608 ND2 ASN A 104 -20.925 -24.240 -6.476 1.00 61.13 N ATOM 0 H ASN A 104 -17.199 -23.688 -9.039 1.00 42.33 H new ATOM 0 HA ASN A 104 -19.226 -24.399 -8.452 1.00 62.34 H new ATOM 0 HB2 ASN A 104 -18.834 -22.493 -6.828 1.00 11.23 H new ATOM 0 HB3 ASN A 104 -19.781 -21.461 -7.881 1.00 11.23 H new ATOM 0 HD21 ASN A 104 -21.753 -24.623 -6.019 1.00 61.13 H new ATOM 0 HD22 ASN A 104 -20.102 -24.827 -6.616 1.00 61.13 H new ATOM 1615 N GLY A 105 -19.888 -23.562 -11.087 1.00 52.35 N ATOM 1616 CA GLY A 105 -20.789 -23.455 -12.221 1.00 3.40 C ATOM 1617 C GLY A 105 -21.096 -22.016 -12.584 1.00 72.24 C ATOM 1618 O GLY A 105 -22.160 -21.717 -13.125 1.00 44.34 O ATOM 0 H GLY A 105 -18.963 -23.931 -11.308 1.00 52.35 H new ATOM 0 HA2 GLY A 105 -20.346 -23.957 -13.081 1.00 3.40 H new ATOM 0 HA3 GLY A 105 -21.719 -23.975 -11.992 1.00 3.40 H new ATOM 1622 N LYS A 106 -20.161 -21.120 -12.284 1.00 63.04 N ATOM 1623 CA LYS A 106 -20.335 -19.704 -12.581 1.00 23.53 C ATOM 1624 C LYS A 106 -19.063 -19.113 -13.181 1.00 52.51 C ATOM 1625 O LYS A 106 -17.978 -19.677 -13.039 1.00 15.21 O ATOM 1626 CB LYS A 106 -20.716 -18.938 -11.311 1.00 4.42 C ATOM 1627 CG LYS A 106 -21.356 -17.588 -11.584 1.00 13.01 C ATOM 1628 CD LYS A 106 -22.656 -17.733 -12.358 1.00 34.42 C ATOM 1629 CE LYS A 106 -23.498 -16.469 -12.275 1.00 12.25 C ATOM 1630 NZ LYS A 106 -24.438 -16.353 -13.424 1.00 53.44 N ATOM 0 H LYS A 106 -19.275 -21.351 -11.835 1.00 63.04 H new ATOM 0 HA LYS A 106 -21.139 -19.608 -13.311 1.00 23.53 H new ATOM 0 HB2 LYS A 106 -21.405 -19.545 -10.723 1.00 4.42 H new ATOM 0 HB3 LYS A 106 -19.823 -18.791 -10.704 1.00 4.42 H new ATOM 0 HG2 LYS A 106 -21.549 -17.078 -10.640 1.00 13.01 H new ATOM 0 HG3 LYS A 106 -20.663 -16.963 -12.148 1.00 13.01 H new ATOM 0 HD2 LYS A 106 -22.436 -17.957 -13.402 1.00 34.42 H new ATOM 0 HD3 LYS A 106 -23.223 -18.576 -11.964 1.00 34.42 H new ATOM 0 HE2 LYS A 106 -24.062 -16.469 -11.343 1.00 12.25 H new ATOM 0 HE3 LYS A 106 -22.844 -15.598 -12.252 1.00 12.25 H new ATOM 0 HZ1 LYS A 106 -24.994 -15.479 -13.331 1.00 53.44 H new ATOM 0 HZ2 LYS A 106 -23.898 -16.327 -14.313 1.00 53.44 H new ATOM 0 HZ3 LYS A 106 -25.079 -17.172 -13.432 1.00 53.44 H new ATOM 1644 N LYS A 107 -19.204 -17.974 -13.849 1.00 5.15 N ATOM 1645 CA LYS A 107 -18.066 -17.305 -14.468 1.00 22.41 C ATOM 1646 C LYS A 107 -17.541 -16.184 -13.575 1.00 2.12 C ATOM 1647 O LYS A 107 -18.317 -15.421 -13.000 1.00 70.34 O ATOM 1648 CB LYS A 107 -18.462 -16.739 -15.834 1.00 42.32 C ATOM 1649 CG LYS A 107 -19.513 -15.645 -15.758 1.00 53.43 C ATOM 1650 CD LYS A 107 -20.011 -15.253 -17.138 1.00 74.10 C ATOM 1651 CE LYS A 107 -19.031 -14.326 -17.842 1.00 71.11 C ATOM 1652 NZ LYS A 107 -19.194 -12.912 -17.406 1.00 25.43 N ATOM 0 H LYS A 107 -20.095 -17.494 -13.976 1.00 5.15 H new ATOM 0 HA LYS A 107 -17.273 -18.041 -14.602 1.00 22.41 H new ATOM 0 HB2 LYS A 107 -17.573 -16.344 -16.326 1.00 42.32 H new ATOM 0 HB3 LYS A 107 -18.838 -17.549 -16.459 1.00 42.32 H new ATOM 0 HG2 LYS A 107 -20.352 -15.987 -15.151 1.00 53.43 H new ATOM 0 HG3 LYS A 107 -19.094 -14.771 -15.260 1.00 53.43 H new ATOM 0 HD2 LYS A 107 -20.162 -16.149 -17.740 1.00 74.10 H new ATOM 0 HD3 LYS A 107 -20.980 -14.761 -17.050 1.00 74.10 H new ATOM 0 HE2 LYS A 107 -18.011 -14.653 -17.639 1.00 71.11 H new ATOM 0 HE3 LYS A 107 -19.178 -14.393 -18.920 1.00 71.11 H new ATOM 0 HZ1 LYS A 107 -18.509 -12.313 -17.908 1.00 25.43 H new ATOM 0 HZ2 LYS A 107 -20.159 -12.591 -17.623 1.00 25.43 H new ATOM 0 HZ3 LYS A 107 -19.028 -12.843 -16.382 1.00 25.43 H new ATOM 1666 N LEU A 108 -16.220 -16.093 -13.466 1.00 62.00 N ATOM 1667 CA LEU A 108 -15.591 -15.065 -12.643 1.00 31.31 C ATOM 1668 C LEU A 108 -14.951 -13.987 -13.512 1.00 60.45 C ATOM 1669 O LEU A 108 -14.977 -12.805 -13.173 1.00 22.20 O ATOM 1670 CB LEU A 108 -14.537 -15.690 -11.728 1.00 53.53 C ATOM 1671 CG LEU A 108 -15.023 -16.819 -10.817 1.00 64.34 C ATOM 1672 CD1 LEU A 108 -16.387 -16.483 -10.232 1.00 21.01 C ATOM 1673 CD2 LEU A 108 -15.078 -18.133 -11.580 1.00 44.43 C ATOM 0 H LEU A 108 -15.565 -16.717 -13.936 1.00 62.00 H new ATOM 0 HA LEU A 108 -16.365 -14.601 -12.032 1.00 31.31 H new ATOM 0 HB2 LEU A 108 -13.728 -16.074 -12.349 1.00 53.53 H new ATOM 0 HB3 LEU A 108 -14.114 -14.903 -11.104 1.00 53.53 H new ATOM 0 HG LEU A 108 -14.315 -16.928 -9.996 1.00 64.34 H new ATOM 0 HD11 LEU A 108 -16.717 -17.297 -9.587 1.00 21.01 H new ATOM 0 HD12 LEU A 108 -16.317 -15.564 -9.650 1.00 21.01 H new ATOM 0 HD13 LEU A 108 -17.106 -16.346 -11.040 1.00 21.01 H new ATOM 0 HD21 LEU A 108 -15.426 -18.925 -10.916 1.00 44.43 H new ATOM 0 HD22 LEU A 108 -15.765 -18.037 -12.421 1.00 44.43 H new ATOM 0 HD23 LEU A 108 -14.083 -18.381 -11.950 1.00 44.43 H new ATOM 1685 N SER A 109 -14.378 -14.406 -14.637 1.00 64.12 N ATOM 1686 CA SER A 109 -13.730 -13.476 -15.556 1.00 55.15 C ATOM 1687 C SER A 109 -13.160 -14.216 -16.763 1.00 41.05 C ATOM 1688 O SER A 109 -13.141 -15.445 -16.798 1.00 33.13 O ATOM 1689 CB SER A 109 -12.616 -12.712 -14.839 1.00 52.45 C ATOM 1690 OG SER A 109 -12.996 -11.370 -14.592 1.00 54.05 O ATOM 0 H SER A 109 -14.349 -15.382 -14.933 1.00 64.12 H new ATOM 0 HA SER A 109 -14.480 -12.767 -15.907 1.00 55.15 H new ATOM 0 HB2 SER A 109 -12.380 -13.206 -13.896 1.00 52.45 H new ATOM 0 HB3 SER A 109 -11.710 -12.731 -15.444 1.00 52.45 H new ATOM 0 HG SER A 109 -12.256 -10.772 -14.828 1.00 54.05 H new ATOM 1696 N GLN A 110 -12.697 -13.455 -17.750 1.00 73.42 N ATOM 1697 CA GLN A 110 -12.127 -14.037 -18.959 1.00 42.33 C ATOM 1698 C GLN A 110 -10.924 -13.231 -19.437 1.00 70.12 C ATOM 1699 O GLN A 110 -11.070 -12.112 -19.930 1.00 44.53 O ATOM 1700 CB GLN A 110 -13.183 -14.104 -20.064 1.00 72.44 C ATOM 1701 CG GLN A 110 -14.536 -14.602 -19.584 1.00 35.44 C ATOM 1702 CD GLN A 110 -15.591 -14.566 -20.672 1.00 64.20 C ATOM 1703 OE1 GLN A 110 -15.231 -15.031 -21.862 1.00 14.10 O flip ATOM 1704 NE2 GLN A 110 -16.718 -14.123 -20.445 1.00 21.42 N flip ATOM 0 H GLN A 110 -12.706 -12.435 -17.736 1.00 73.42 H new ATOM 0 HA GLN A 110 -11.793 -15.047 -18.723 1.00 42.33 H new ATOM 0 HB2 GLN A 110 -13.304 -13.112 -20.500 1.00 72.44 H new ATOM 0 HB3 GLN A 110 -12.825 -14.759 -20.858 1.00 72.44 H new ATOM 0 HG2 GLN A 110 -14.433 -15.623 -19.216 1.00 35.44 H new ATOM 0 HG3 GLN A 110 -14.866 -13.992 -18.743 1.00 35.44 H new ATOM 0 HE21 GLN A 110 -16.952 -13.776 -19.515 1.00 21.42 H new ATOM 0 HE22 GLN A 110 -17.417 -14.104 -21.187 1.00 21.42 H new ATOM 1713 N VAL A 111 -9.735 -13.806 -19.287 1.00 61.10 N ATOM 1714 CA VAL A 111 -8.506 -13.142 -19.705 1.00 4.43 C ATOM 1715 C VAL A 111 -8.286 -13.284 -21.206 1.00 3.33 C ATOM 1716 O VAL A 111 -8.370 -14.384 -21.754 1.00 41.10 O ATOM 1717 CB VAL A 111 -7.282 -13.708 -18.962 1.00 34.54 C ATOM 1718 CG1 VAL A 111 -6.022 -12.950 -19.352 1.00 53.12 C ATOM 1719 CG2 VAL A 111 -7.500 -13.656 -17.456 1.00 22.25 C ATOM 0 H VAL A 111 -9.597 -14.731 -18.879 1.00 61.10 H new ATOM 0 HA VAL A 111 -8.617 -12.087 -19.456 1.00 4.43 H new ATOM 0 HB VAL A 111 -7.155 -14.751 -19.252 1.00 34.54 H new ATOM 0 HG11 VAL A 111 -5.168 -13.364 -18.817 1.00 53.12 H new ATOM 0 HG12 VAL A 111 -5.858 -13.044 -20.425 1.00 53.12 H new ATOM 0 HG13 VAL A 111 -6.136 -11.897 -19.094 1.00 53.12 H new ATOM 0 HG21 VAL A 111 -6.625 -14.060 -16.947 1.00 22.25 H new ATOM 0 HG22 VAL A 111 -7.655 -12.622 -17.146 1.00 22.25 H new ATOM 0 HG23 VAL A 111 -8.377 -14.248 -17.195 1.00 22.25 H new ATOM 1729 N ILE A 112 -8.005 -12.166 -21.866 1.00 40.51 N ATOM 1730 CA ILE A 112 -7.772 -12.166 -23.305 1.00 13.53 C ATOM 1731 C ILE A 112 -6.382 -11.634 -23.636 1.00 35.44 C ATOM 1732 O ILE A 112 -6.124 -10.435 -23.536 1.00 64.54 O ATOM 1733 CB ILE A 112 -8.823 -11.320 -24.046 1.00 10.42 C ATOM 1734 CG1 ILE A 112 -10.231 -11.685 -23.571 1.00 64.13 C ATOM 1735 CG2 ILE A 112 -8.698 -11.515 -25.549 1.00 61.22 C ATOM 1736 CD1 ILE A 112 -11.320 -10.851 -24.208 1.00 11.41 C ATOM 0 H ILE A 112 -7.933 -11.248 -21.427 1.00 40.51 H new ATOM 0 HA ILE A 112 -7.852 -13.201 -23.637 1.00 13.53 H new ATOM 0 HB ILE A 112 -8.645 -10.269 -23.821 1.00 10.42 H new ATOM 0 HG12 ILE A 112 -10.417 -12.737 -23.787 1.00 64.13 H new ATOM 0 HG13 ILE A 112 -10.282 -11.568 -22.488 1.00 64.13 H new ATOM 0 HG21 ILE A 112 -9.448 -10.910 -26.058 1.00 61.22 H new ATOM 0 HG22 ILE A 112 -7.704 -11.209 -25.874 1.00 61.22 H new ATOM 0 HG23 ILE A 112 -8.852 -12.566 -25.794 1.00 61.22 H new ATOM 0 HD11 ILE A 112 -12.291 -11.165 -23.824 1.00 11.41 H new ATOM 0 HD12 ILE A 112 -11.159 -9.799 -23.970 1.00 11.41 H new ATOM 0 HD13 ILE A 112 -11.296 -10.986 -25.289 1.00 11.41 H new ATOM 1748 N GLY A 113 -5.488 -12.535 -24.034 1.00 53.21 N ATOM 1749 CA GLY A 113 -4.136 -12.138 -24.376 1.00 14.23 C ATOM 1750 C GLY A 113 -3.124 -12.558 -23.329 1.00 44.34 C ATOM 1751 O GLY A 113 -3.408 -13.416 -22.493 1.00 21.13 O ATOM 0 H GLY A 113 -5.677 -13.533 -24.125 1.00 53.21 H new ATOM 0 HA2 GLY A 113 -3.864 -12.577 -25.336 1.00 14.23 H new ATOM 0 HA3 GLY A 113 -4.099 -11.056 -24.499 1.00 14.23 H new ATOM 1755 N ALA A 114 -1.941 -11.954 -23.373 1.00 2.12 N ATOM 1756 CA ALA A 114 -0.886 -12.271 -22.419 1.00 50.23 C ATOM 1757 C ALA A 114 -0.474 -11.035 -21.626 1.00 73.31 C ATOM 1758 O ALA A 114 0.476 -10.340 -21.990 1.00 1.34 O ATOM 1759 CB ALA A 114 0.316 -12.862 -23.141 1.00 34.24 C ATOM 0 H ALA A 114 -1.689 -11.242 -24.059 1.00 2.12 H new ATOM 0 HA ALA A 114 -1.274 -13.009 -21.716 1.00 50.23 H new ATOM 0 HB1 ALA A 114 1.097 -13.094 -22.417 1.00 34.24 H new ATOM 0 HB2 ALA A 114 0.018 -13.774 -23.658 1.00 34.24 H new ATOM 0 HB3 ALA A 114 0.696 -12.142 -23.866 1.00 34.24 H new ATOM 1765 N ASP A 115 -1.193 -10.767 -20.542 1.00 11.22 N ATOM 1766 CA ASP A 115 -0.902 -9.616 -19.697 1.00 33.14 C ATOM 1767 C ASP A 115 -0.896 -10.010 -18.224 1.00 50.50 C ATOM 1768 O ASP A 115 -1.949 -10.248 -17.631 1.00 41.34 O ATOM 1769 CB ASP A 115 -1.928 -8.507 -19.937 1.00 73.33 C ATOM 1770 CG ASP A 115 -1.546 -7.207 -19.257 1.00 45.55 C ATOM 1771 OD1 ASP A 115 -1.250 -7.236 -18.043 1.00 15.43 O ATOM 1772 OD2 ASP A 115 -1.541 -6.160 -19.938 1.00 51.32 O ATOM 0 H ASP A 115 -1.982 -11.332 -20.228 1.00 11.22 H new ATOM 0 HA ASP A 115 0.089 -9.246 -19.959 1.00 33.14 H new ATOM 0 HB2 ASP A 115 -2.030 -8.337 -21.009 1.00 73.33 H new ATOM 0 HB3 ASP A 115 -2.902 -8.832 -19.572 1.00 73.33 H new ATOM 1777 N ILE A 116 0.294 -10.078 -17.639 1.00 43.41 N ATOM 1778 CA ILE A 116 0.436 -10.444 -16.235 1.00 44.52 C ATOM 1779 C ILE A 116 -0.321 -9.473 -15.335 1.00 11.00 C ATOM 1780 O ILE A 116 -0.972 -9.881 -14.373 1.00 0.15 O ATOM 1781 CB ILE A 116 1.915 -10.474 -15.807 1.00 1.13 C ATOM 1782 CG1 ILE A 116 2.033 -10.829 -14.324 1.00 20.02 C ATOM 1783 CG2 ILE A 116 2.577 -9.134 -16.091 1.00 15.41 C ATOM 1784 CD1 ILE A 116 1.528 -12.215 -13.991 1.00 45.32 C ATOM 0 H ILE A 116 1.175 -9.884 -18.115 1.00 43.41 H new ATOM 0 HA ILE A 116 0.014 -11.443 -16.126 1.00 44.52 H new ATOM 0 HB ILE A 116 2.429 -11.241 -16.387 1.00 1.13 H new ATOM 0 HG12 ILE A 116 3.077 -10.750 -14.022 1.00 20.02 H new ATOM 0 HG13 ILE A 116 1.475 -10.098 -13.739 1.00 20.02 H new ATOM 0 HG21 ILE A 116 3.622 -9.172 -15.783 1.00 15.41 H new ATOM 0 HG22 ILE A 116 2.521 -8.919 -17.158 1.00 15.41 H new ATOM 0 HG23 ILE A 116 2.063 -8.349 -15.536 1.00 15.41 H new ATOM 0 HD11 ILE A 116 1.643 -12.397 -12.923 1.00 45.32 H new ATOM 0 HD12 ILE A 116 0.475 -12.293 -14.261 1.00 45.32 H new ATOM 0 HD13 ILE A 116 2.102 -12.955 -14.549 1.00 45.32 H new ATOM 1796 N SER A 117 -0.232 -8.186 -15.654 1.00 21.43 N ATOM 1797 CA SER A 117 -0.907 -7.156 -14.873 1.00 43.32 C ATOM 1798 C SER A 117 -2.422 -7.319 -14.954 1.00 21.20 C ATOM 1799 O SER A 117 -3.159 -6.814 -14.106 1.00 13.41 O ATOM 1800 CB SER A 117 -0.506 -5.765 -15.369 1.00 12.44 C ATOM 1801 OG SER A 117 -1.516 -4.812 -15.088 1.00 62.05 O ATOM 0 H SER A 117 0.301 -7.831 -16.448 1.00 21.43 H new ATOM 0 HA SER A 117 -0.602 -7.265 -13.832 1.00 43.32 H new ATOM 0 HB2 SER A 117 0.427 -5.461 -14.894 1.00 12.44 H new ATOM 0 HB3 SER A 117 -0.321 -5.798 -16.443 1.00 12.44 H new ATOM 0 HG SER A 117 -1.235 -3.932 -15.414 1.00 62.05 H new ATOM 1807 N LYS A 118 -2.880 -8.029 -15.978 1.00 15.20 N ATOM 1808 CA LYS A 118 -4.307 -8.262 -16.171 1.00 45.15 C ATOM 1809 C LYS A 118 -4.775 -9.471 -15.366 1.00 64.05 C ATOM 1810 O LYS A 118 -5.675 -9.362 -14.533 1.00 21.20 O ATOM 1811 CB LYS A 118 -4.615 -8.475 -17.655 1.00 45.12 C ATOM 1812 CG LYS A 118 -6.077 -8.272 -18.009 1.00 72.13 C ATOM 1813 CD LYS A 118 -6.910 -9.494 -17.660 1.00 21.24 C ATOM 1814 CE LYS A 118 -8.132 -9.611 -18.556 1.00 12.53 C ATOM 1815 NZ LYS A 118 -8.964 -8.375 -18.525 1.00 64.22 N ATOM 0 H LYS A 118 -2.284 -8.454 -16.688 1.00 15.20 H new ATOM 0 HA LYS A 118 -4.844 -7.382 -15.818 1.00 45.15 H new ATOM 0 HB2 LYS A 118 -4.008 -7.788 -18.245 1.00 45.12 H new ATOM 0 HB3 LYS A 118 -4.319 -9.485 -17.937 1.00 45.12 H new ATOM 0 HG2 LYS A 118 -6.464 -7.403 -17.477 1.00 72.13 H new ATOM 0 HG3 LYS A 118 -6.168 -8.060 -19.074 1.00 72.13 H new ATOM 0 HD2 LYS A 118 -6.299 -10.392 -17.757 1.00 21.24 H new ATOM 0 HD3 LYS A 118 -7.226 -9.435 -16.618 1.00 21.24 H new ATOM 0 HE2 LYS A 118 -7.814 -9.809 -19.580 1.00 12.53 H new ATOM 0 HE3 LYS A 118 -8.734 -10.462 -18.239 1.00 12.53 H new ATOM 0 HZ1 LYS A 118 -9.860 -8.547 -19.024 1.00 64.22 H new ATOM 0 HZ2 LYS A 118 -9.162 -8.114 -17.538 1.00 64.22 H new ATOM 0 HZ3 LYS A 118 -8.452 -7.600 -18.992 1.00 64.22 H new ATOM 1829 N ILE A 119 -4.157 -10.619 -15.620 1.00 65.15 N ATOM 1830 CA ILE A 119 -4.509 -11.846 -14.916 1.00 50.12 C ATOM 1831 C ILE A 119 -4.434 -11.655 -13.405 1.00 70.05 C ATOM 1832 O ILE A 119 -5.212 -12.246 -12.656 1.00 1.10 O ATOM 1833 CB ILE A 119 -3.587 -13.011 -15.320 1.00 20.21 C ATOM 1834 CG1 ILE A 119 -2.190 -12.815 -14.728 1.00 2.20 C ATOM 1835 CG2 ILE A 119 -3.513 -13.128 -16.836 1.00 22.50 C ATOM 1836 CD1 ILE A 119 -1.982 -13.545 -13.419 1.00 60.34 C ATOM 0 H ILE A 119 -3.411 -10.725 -16.307 1.00 65.15 H new ATOM 0 HA ILE A 119 -5.533 -12.088 -15.199 1.00 50.12 H new ATOM 0 HB ILE A 119 -4.003 -13.937 -14.923 1.00 20.21 H new ATOM 0 HG12 ILE A 119 -1.447 -13.158 -15.448 1.00 2.20 H new ATOM 0 HG13 ILE A 119 -2.016 -11.750 -14.573 1.00 2.20 H new ATOM 0 HG21 ILE A 119 -2.857 -13.956 -17.105 1.00 22.50 H new ATOM 0 HG22 ILE A 119 -4.510 -13.310 -17.236 1.00 22.50 H new ATOM 0 HG23 ILE A 119 -3.118 -12.202 -17.254 1.00 22.50 H new ATOM 0 HD11 ILE A 119 -0.970 -13.362 -13.057 1.00 60.34 H new ATOM 0 HD12 ILE A 119 -2.701 -13.185 -12.683 1.00 60.34 H new ATOM 0 HD13 ILE A 119 -2.124 -14.615 -13.572 1.00 60.34 H new ATOM 1848 N ILE A 120 -3.496 -10.824 -12.966 1.00 42.50 N ATOM 1849 CA ILE A 120 -3.322 -10.552 -11.544 1.00 1.51 C ATOM 1850 C ILE A 120 -4.420 -9.632 -11.022 1.00 62.35 C ATOM 1851 O ILE A 120 -4.853 -9.754 -9.876 1.00 43.52 O ATOM 1852 CB ILE A 120 -1.951 -9.911 -11.257 1.00 53.45 C ATOM 1853 CG1 ILE A 120 -1.827 -8.571 -11.988 1.00 1.40 C ATOM 1854 CG2 ILE A 120 -0.829 -10.852 -11.671 1.00 71.24 C ATOM 1855 CD1 ILE A 120 -2.229 -7.384 -11.142 1.00 14.01 C ATOM 0 H ILE A 120 -2.845 -10.327 -13.574 1.00 42.50 H new ATOM 0 HA ILE A 120 -3.380 -11.511 -11.030 1.00 1.51 H new ATOM 0 HB ILE A 120 -1.869 -9.728 -10.186 1.00 53.45 H new ATOM 0 HG12 ILE A 120 -0.796 -8.440 -12.318 1.00 1.40 H new ATOM 0 HG13 ILE A 120 -2.448 -8.596 -12.884 1.00 1.40 H new ATOM 0 HG21 ILE A 120 0.133 -10.385 -11.462 1.00 71.24 H new ATOM 0 HG22 ILE A 120 -0.910 -11.783 -11.110 1.00 71.24 H new ATOM 0 HG23 ILE A 120 -0.906 -11.063 -12.738 1.00 71.24 H new ATOM 0 HD11 ILE A 120 -2.116 -6.468 -11.723 1.00 14.01 H new ATOM 0 HD12 ILE A 120 -3.269 -7.492 -10.834 1.00 14.01 H new ATOM 0 HD13 ILE A 120 -1.592 -7.334 -10.259 1.00 14.01 H new ATOM 1867 N SER A 121 -4.868 -8.713 -11.871 1.00 0.12 N ATOM 1868 CA SER A 121 -5.915 -7.770 -11.495 1.00 73.21 C ATOM 1869 C SER A 121 -7.261 -8.477 -11.369 1.00 61.43 C ATOM 1870 O SER A 121 -8.073 -8.138 -10.508 1.00 43.23 O ATOM 1871 CB SER A 121 -6.011 -6.644 -12.526 1.00 52.11 C ATOM 1872 OG SER A 121 -7.292 -6.037 -12.500 1.00 1.41 O ATOM 0 H SER A 121 -4.522 -8.601 -12.824 1.00 0.12 H new ATOM 0 HA SER A 121 -5.656 -7.343 -10.526 1.00 73.21 H new ATOM 0 HB2 SER A 121 -5.246 -5.895 -12.323 1.00 52.11 H new ATOM 0 HB3 SER A 121 -5.813 -7.040 -13.522 1.00 52.11 H new ATOM 0 HG SER A 121 -7.328 -5.320 -13.167 1.00 1.41 H new ATOM 1878 N GLU A 122 -7.491 -9.459 -12.235 1.00 41.41 N ATOM 1879 CA GLU A 122 -8.740 -10.212 -12.220 1.00 61.12 C ATOM 1880 C GLU A 122 -8.747 -11.231 -11.085 1.00 33.11 C ATOM 1881 O GLU A 122 -9.664 -11.254 -10.263 1.00 50.32 O ATOM 1882 CB GLU A 122 -8.947 -10.923 -13.560 1.00 22.41 C ATOM 1883 CG GLU A 122 -9.025 -9.975 -14.746 1.00 53.03 C ATOM 1884 CD GLU A 122 -10.151 -8.968 -14.614 1.00 22.05 C ATOM 1885 OE1 GLU A 122 -11.312 -9.395 -14.446 1.00 60.42 O ATOM 1886 OE2 GLU A 122 -9.870 -7.753 -14.680 1.00 35.23 O ATOM 0 H GLU A 122 -6.830 -9.751 -12.955 1.00 41.41 H new ATOM 0 HA GLU A 122 -9.557 -9.509 -12.059 1.00 61.12 H new ATOM 0 HB2 GLU A 122 -8.128 -11.625 -13.720 1.00 22.41 H new ATOM 0 HB3 GLU A 122 -9.865 -11.509 -13.513 1.00 22.41 H new ATOM 0 HG2 GLU A 122 -8.078 -9.445 -14.845 1.00 53.03 H new ATOM 0 HG3 GLU A 122 -9.164 -10.553 -15.660 1.00 53.03 H new ATOM 1893 N ILE A 123 -7.720 -12.073 -11.047 1.00 72.25 N ATOM 1894 CA ILE A 123 -7.608 -13.094 -10.013 1.00 54.04 C ATOM 1895 C ILE A 123 -7.663 -12.476 -8.620 1.00 62.52 C ATOM 1896 O ILE A 123 -8.521 -12.824 -7.809 1.00 23.52 O ATOM 1897 CB ILE A 123 -6.301 -13.897 -10.154 1.00 31.40 C ATOM 1898 CG1 ILE A 123 -6.281 -14.651 -11.485 1.00 34.31 C ATOM 1899 CG2 ILE A 123 -6.145 -14.864 -8.989 1.00 30.35 C ATOM 1900 CD1 ILE A 123 -4.898 -15.093 -11.908 1.00 24.43 C ATOM 0 H ILE A 123 -6.954 -12.068 -11.720 1.00 72.25 H new ATOM 0 HA ILE A 123 -8.455 -13.767 -10.143 1.00 54.04 H new ATOM 0 HB ILE A 123 -5.462 -13.202 -10.139 1.00 31.40 H new ATOM 0 HG12 ILE A 123 -6.925 -15.527 -11.407 1.00 34.31 H new ATOM 0 HG13 ILE A 123 -6.703 -14.013 -12.261 1.00 34.31 H new ATOM 0 HG21 ILE A 123 -5.217 -15.424 -9.103 1.00 30.35 H new ATOM 0 HG22 ILE A 123 -6.119 -14.305 -8.053 1.00 30.35 H new ATOM 0 HG23 ILE A 123 -6.987 -15.556 -8.975 1.00 30.35 H new ATOM 0 HD11 ILE A 123 -4.960 -15.621 -12.860 1.00 24.43 H new ATOM 0 HD12 ILE A 123 -4.255 -14.220 -12.019 1.00 24.43 H new ATOM 0 HD13 ILE A 123 -4.481 -15.757 -11.151 1.00 24.43 H new ATOM 1912 N ASN A 124 -6.745 -11.553 -8.352 1.00 75.21 N ATOM 1913 CA ASN A 124 -6.690 -10.884 -7.057 1.00 73.45 C ATOM 1914 C ASN A 124 -8.033 -10.243 -6.719 1.00 64.11 C ATOM 1915 O ASN A 124 -8.368 -10.061 -5.549 1.00 42.22 O ATOM 1916 CB ASN A 124 -5.590 -9.821 -7.056 1.00 11.21 C ATOM 1917 CG ASN A 124 -4.207 -10.418 -7.235 1.00 25.22 C ATOM 1918 OD1 ASN A 124 -4.031 -11.634 -7.161 1.00 22.41 O ATOM 1919 ND2 ASN A 124 -3.220 -9.564 -7.474 1.00 11.02 N ATOM 0 H ASN A 124 -6.030 -11.251 -9.014 1.00 75.21 H new ATOM 0 HA ASN A 124 -6.463 -11.633 -6.298 1.00 73.45 H new ATOM 0 HB2 ASN A 124 -5.780 -9.105 -7.856 1.00 11.21 H new ATOM 0 HB3 ASN A 124 -5.625 -9.267 -6.118 1.00 11.21 H new ATOM 0 HD21 ASN A 124 -2.269 -9.908 -7.605 1.00 11.02 H new ATOM 0 HD22 ASN A 124 -3.413 -8.564 -7.527 1.00 11.02 H new ATOM 1926 N ASN A 125 -8.797 -9.902 -7.752 1.00 51.03 N ATOM 1927 CA ASN A 125 -10.103 -9.282 -7.564 1.00 1.33 C ATOM 1928 C ASN A 125 -11.166 -10.332 -7.259 1.00 30.23 C ATOM 1929 O ASN A 125 -12.154 -10.053 -6.581 1.00 34.25 O ATOM 1930 CB ASN A 125 -10.498 -8.489 -8.812 1.00 2.44 C ATOM 1931 CG ASN A 125 -11.981 -8.176 -8.853 1.00 64.22 C ATOM 1932 OD1 ASN A 125 -12.687 -8.777 -9.804 1.00 75.13 O flip ATOM 1933 ND2 ASN A 125 -12.486 -7.402 -8.039 1.00 2.34 N flip ATOM 0 H ASN A 125 -8.534 -10.045 -8.727 1.00 51.03 H new ATOM 0 HA ASN A 125 -10.035 -8.602 -6.715 1.00 1.33 H new ATOM 0 HB2 ASN A 125 -9.932 -7.558 -8.842 1.00 2.44 H new ATOM 0 HB3 ASN A 125 -10.225 -9.057 -9.701 1.00 2.44 H new ATOM 0 HD21 ASN A 125 -11.905 -6.963 -7.325 1.00 2.34 H new ATOM 0 HD22 ASN A 125 -13.485 -7.200 -8.079 1.00 2.34 H new ATOM 1940 N ASN A 126 -10.955 -11.544 -7.764 1.00 22.12 N ATOM 1941 CA ASN A 126 -11.895 -12.638 -7.545 1.00 5.34 C ATOM 1942 C ASN A 126 -11.402 -13.564 -6.437 1.00 72.44 C ATOM 1943 O ASN A 126 -11.946 -14.650 -6.236 1.00 24.00 O ATOM 1944 CB ASN A 126 -12.097 -13.431 -8.836 1.00 64.41 C ATOM 1945 CG ASN A 126 -12.276 -12.532 -10.045 1.00 31.12 C ATOM 1946 OD1 ASN A 126 -12.957 -11.509 -9.975 1.00 60.44 O ATOM 1947 ND2 ASN A 126 -11.665 -12.912 -11.160 1.00 44.34 N ATOM 0 H ASN A 126 -10.142 -11.793 -8.327 1.00 22.12 H new ATOM 0 HA ASN A 126 -12.849 -12.209 -7.238 1.00 5.34 H new ATOM 0 HB2 ASN A 126 -11.239 -14.084 -8.996 1.00 64.41 H new ATOM 0 HB3 ASN A 126 -12.971 -14.073 -8.732 1.00 64.41 H new ATOM 0 HD21 ASN A 126 -11.750 -12.348 -12.006 1.00 44.34 H new ATOM 0 HD22 ASN A 126 -11.111 -13.768 -11.171 1.00 44.34 H new ATOM 1954 N ILE A 127 -10.371 -13.127 -5.722 1.00 64.21 N ATOM 1955 CA ILE A 127 -9.807 -13.916 -4.634 1.00 53.31 C ATOM 1956 C ILE A 127 -10.330 -13.442 -3.282 1.00 13.41 C ATOM 1957 O ILE A 127 -10.481 -12.244 -3.050 1.00 22.03 O ATOM 1958 CB ILE A 127 -8.268 -13.848 -4.629 1.00 71.21 C ATOM 1959 CG1 ILE A 127 -7.687 -14.895 -5.582 1.00 12.14 C ATOM 1960 CG2 ILE A 127 -7.734 -14.053 -3.220 1.00 2.33 C ATOM 1961 CD1 ILE A 127 -6.176 -14.890 -5.635 1.00 51.21 C ATOM 0 H ILE A 127 -9.909 -12.231 -5.877 1.00 64.21 H new ATOM 0 HA ILE A 127 -10.117 -14.948 -4.799 1.00 53.31 H new ATOM 0 HB ILE A 127 -7.961 -12.860 -4.973 1.00 71.21 H new ATOM 0 HG12 ILE A 127 -8.029 -15.884 -5.275 1.00 12.14 H new ATOM 0 HG13 ILE A 127 -8.078 -14.720 -6.584 1.00 12.14 H new ATOM 0 HG21 ILE A 127 -6.645 -14.002 -3.233 1.00 2.33 H new ATOM 0 HG22 ILE A 127 -8.126 -13.275 -2.565 1.00 2.33 H new ATOM 0 HG23 ILE A 127 -8.047 -15.029 -2.851 1.00 2.33 H new ATOM 0 HD11 ILE A 127 -5.834 -15.657 -6.330 1.00 51.21 H new ATOM 0 HD12 ILE A 127 -5.827 -13.914 -5.971 1.00 51.21 H new ATOM 0 HD13 ILE A 127 -5.776 -15.096 -4.642 1.00 51.21 H new ATOM 1973 N ASN A 128 -10.603 -14.393 -2.394 1.00 2.43 N ATOM 1974 CA ASN A 128 -11.108 -14.072 -1.064 1.00 53.34 C ATOM 1975 C ASN A 128 -10.241 -13.011 -0.393 1.00 63.41 C ATOM 1976 O ASN A 128 -10.263 -12.858 0.828 1.00 72.01 O ATOM 1977 CB ASN A 128 -11.155 -15.331 -0.197 1.00 3.42 C ATOM 1978 CG ASN A 128 -9.790 -15.709 0.349 1.00 11.34 C ATOM 1979 OD1 ASN A 128 -8.865 -16.036 -0.546 1.00 54.30 O flip ATOM 1980 ND2 ASN A 128 -9.572 -15.706 1.560 1.00 25.45 N flip ATOM 0 H ASN A 128 -10.483 -15.390 -2.571 1.00 2.43 H new ATOM 0 HA ASN A 128 -12.117 -13.675 -1.172 1.00 53.34 H new ATOM 0 HB2 ASN A 128 -11.844 -15.172 0.633 1.00 3.42 H new ATOM 0 HB3 ASN A 128 -11.550 -16.159 -0.785 1.00 3.42 H new ATOM 0 HD21 ASN A 128 -10.313 -15.448 2.211 1.00 25.45 H new ATOM 0 HD22 ASN A 128 -8.650 -15.962 1.913 1.00 25.45 H new