USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 841 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 : amide:sc= 0.426 K(o=0.56,f=-0.35) USER MOD Set 1.2: A 126 ASN : amide:sc= 0.133 K(o=0.56,f=-0.96) USER MOD Set 2.1: A 41 ASN :FLIP amide:sc= -0.157 F(o=-1.8!,f=0.55) USER MOD Set 2.2: A 104 ASN : amide:sc= 0.709 K(o=0.55,f=-3.6!) USER MOD Set 3.1: A 69 GLN :FLIP amide:sc= 0.81 F(o=-0.0064,f=0.8) USER MOD Set 3.2: A 70 TYR OH : rot 180:sc=-0.00798 USER MOD Set 4.1: A 22 MET CE :methyl -152:sc= -0.173 (180deg=-0.936) USER MOD Set 4.2: A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.839 K(o=-0.84,f=-1.8) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 37 SER OG : rot -33:sc= 0.823 USER MOD Single : A 38 CYS SG : rot -94:sc= -4.27! USER MOD Single : A 39 ASN : amide:sc= -0.243 K(o=-0.24,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.21 K(o=-1.2,f=-7!) 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 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 2.02 (180deg=1.61) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0119 F(o=-0.81,f=-0.012) USER MOD Single : A 84 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.8!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -30:sc= 0.692 USER MOD Single : A 98 THR OG1 : rot 60:sc= -1.87! USER MOD Single : A 101 MET CE :methyl -105:sc= -0.103 (180deg=-2.39!) USER MOD Single : A 103 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.11) USER MOD Single : A 106 LYS NZ :NH3+ -134:sc= -1.33 (180deg=-3.8!) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00933 (180deg=-0.0964) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.82) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 145:sc= 0.972 (180deg=0.268) USER MOD Single : A 121 SER OG : rot -96:sc= 0.343 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.938 F(o=-1.9,f=-0.94) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.365 F(o=-3.2!,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 -5.449 -26.710 -11.685 1.00 71.32 N ATOM 308 CA MET A 22 -4.538 -27.849 -11.763 1.00 14.44 C ATOM 309 C MET A 22 -5.269 -29.058 -12.339 1.00 34.21 C ATOM 310 O MET A 22 -4.649 -30.031 -12.777 1.00 25.22 O ATOM 311 CB MET A 22 -3.997 -28.183 -10.366 1.00 32.01 C ATOM 312 CG MET A 22 -3.109 -27.098 -9.772 1.00 64.35 C ATOM 313 SD MET A 22 -1.474 -27.037 -10.533 1.00 62.34 S ATOM 314 CE MET A 22 -0.813 -28.629 -10.036 1.00 41.55 C ATOM 0 HA MET A 22 -3.703 -27.593 -12.415 1.00 14.44 H new ATOM 0 HB2 MET A 22 -4.837 -28.359 -9.694 1.00 32.01 H new ATOM 0 HB3 MET A 22 -3.431 -29.113 -10.419 1.00 32.01 H new ATOM 0 HG2 MET A 22 -3.596 -26.130 -9.891 1.00 64.35 H new ATOM 0 HG3 MET A 22 -3.000 -27.270 -8.701 1.00 64.35 H new ATOM 0 HE1 MET A 22 0.273 -28.568 -9.971 1.00 41.55 H new ATOM 0 HE2 MET A 22 -1.219 -28.904 -9.063 1.00 41.55 H new ATOM 0 HE3 MET A 22 -1.091 -29.384 -10.771 1.00 41.55 H new ATOM 324 N ILE A 23 -6.596 -28.975 -12.340 1.00 11.52 N ATOM 325 CA ILE A 23 -7.443 -30.073 -12.783 1.00 62.20 C ATOM 326 C ILE A 23 -7.495 -30.120 -14.311 1.00 11.52 C ATOM 327 O ILE A 23 -7.671 -29.090 -14.964 1.00 51.53 O ATOM 328 CB ILE A 23 -8.883 -29.934 -12.225 1.00 4.53 C ATOM 329 CG1 ILE A 23 -8.864 -29.533 -10.736 1.00 14.53 C ATOM 330 CG2 ILE A 23 -9.656 -31.237 -12.418 1.00 3.25 C ATOM 331 CD1 ILE A 23 -8.170 -30.531 -9.829 1.00 12.43 C ATOM 0 H ILE A 23 -7.110 -28.149 -12.035 1.00 11.52 H new ATOM 0 HA ILE A 23 -7.010 -30.998 -12.402 1.00 62.20 H new ATOM 0 HB ILE A 23 -9.387 -29.143 -12.780 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -8.370 -28.566 -10.639 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -9.891 -29.402 -10.394 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -10.665 -31.124 -12.021 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -9.708 -31.475 -13.480 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -9.147 -32.044 -11.890 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -8.202 -30.172 -8.800 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -8.676 -31.494 -9.893 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -7.132 -30.646 -10.141 1.00 12.43 H new ATOM 343 N GLU A 24 -7.332 -31.313 -14.870 1.00 63.12 N ATOM 344 CA GLU A 24 -7.364 -31.505 -16.316 1.00 10.03 C ATOM 345 C GLU A 24 -8.772 -31.898 -16.763 1.00 51.50 C ATOM 346 O GLU A 24 -9.552 -32.433 -15.976 1.00 10.23 O ATOM 347 CB GLU A 24 -6.349 -32.590 -16.714 1.00 41.42 C ATOM 348 CG GLU A 24 -6.282 -32.884 -18.211 1.00 40.21 C ATOM 349 CD GLU A 24 -5.840 -31.683 -19.032 1.00 32.25 C ATOM 350 OE1 GLU A 24 -4.620 -31.406 -19.077 1.00 35.10 O ATOM 351 OE2 GLU A 24 -6.704 -31.019 -19.643 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.175 -32.169 -14.339 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.095 -30.571 -16.810 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -5.360 -32.285 -16.373 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -6.598 -33.511 -16.188 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -5.591 -33.709 -18.383 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -7.263 -33.212 -18.556 1.00 40.21 H new ATOM 358 N GLN A 25 -9.094 -31.622 -18.022 1.00 3.42 N ATOM 359 CA GLN A 25 -10.372 -32.016 -18.607 1.00 70.21 C ATOM 360 C GLN A 25 -10.113 -32.953 -19.783 1.00 62.55 C ATOM 361 O GLN A 25 -9.167 -32.746 -20.548 1.00 71.41 O ATOM 362 CB GLN A 25 -11.182 -30.773 -19.037 1.00 35.52 C ATOM 363 CG GLN A 25 -10.454 -29.829 -20.000 1.00 35.52 C ATOM 364 CD GLN A 25 -10.495 -30.288 -21.449 1.00 34.41 C ATOM 365 OE1 GLN A 25 -11.464 -30.909 -21.894 1.00 41.35 O ATOM 366 NE2 GLN A 25 -9.436 -30.002 -22.193 1.00 13.53 N ATOM 0 H GLN A 25 -8.480 -31.121 -18.664 1.00 3.42 H new ATOM 0 HA GLN A 25 -10.969 -32.544 -17.864 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.107 -31.105 -19.508 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -11.462 -30.213 -18.145 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -10.900 -28.837 -19.929 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -9.414 -29.735 -19.687 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -8.654 -29.487 -21.790 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -9.403 -30.297 -23.169 1.00 13.53 H new ATOM 375 N ILE A 26 -10.926 -33.996 -19.918 1.00 73.45 N ATOM 376 CA ILE A 26 -10.707 -35.010 -20.954 1.00 30.23 C ATOM 377 C ILE A 26 -12.023 -35.489 -21.556 1.00 44.22 C ATOM 378 O ILE A 26 -13.095 -35.325 -20.959 1.00 73.54 O ATOM 379 CB ILE A 26 -9.928 -36.236 -20.401 1.00 32.02 C ATOM 380 CG1 ILE A 26 -10.693 -36.872 -19.226 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.515 -35.838 -19.976 1.00 54.44 C ATOM 382 CD1 ILE A 26 -10.026 -38.104 -18.655 1.00 35.42 C ATOM 0 H ILE A 26 -11.740 -34.165 -19.328 1.00 73.45 H new ATOM 0 HA ILE A 26 -10.111 -34.531 -21.731 1.00 30.23 H new ATOM 0 HB ILE A 26 -9.843 -36.975 -21.198 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.804 -36.131 -18.434 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -11.697 -37.136 -19.559 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.990 -36.713 -19.593 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -7.976 -35.439 -20.835 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.570 -35.078 -19.197 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -10.625 -38.494 -17.832 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -9.939 -38.864 -19.432 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -9.033 -37.844 -18.289 1.00 35.42 H new ATOM 394 N GLY A 27 -11.929 -36.067 -22.750 1.00 62.23 N ATOM 395 CA GLY A 27 -13.077 -36.665 -23.400 1.00 35.05 C ATOM 396 C GLY A 27 -13.149 -38.164 -23.172 1.00 75.43 C ATOM 397 O GLY A 27 -12.406 -38.713 -22.350 1.00 55.43 O ATOM 0 H GLY A 27 -11.062 -36.131 -23.284 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -13.988 -36.198 -23.026 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -13.032 -36.464 -24.470 1.00 35.05 H new ATOM 401 N ASP A 28 -14.027 -38.827 -23.920 1.00 55.22 N ATOM 402 CA ASP A 28 -14.279 -40.260 -23.759 1.00 30.13 C ATOM 403 C ASP A 28 -13.046 -41.087 -24.114 1.00 31.43 C ATOM 404 O ASP A 28 -12.639 -41.972 -23.359 1.00 52.43 O ATOM 405 CB ASP A 28 -15.461 -40.685 -24.638 1.00 2.44 C ATOM 406 CG ASP A 28 -15.855 -42.143 -24.434 1.00 31.34 C ATOM 407 OD1 ASP A 28 -15.345 -43.016 -25.166 1.00 33.35 O ATOM 408 OD2 ASP A 28 -16.691 -42.425 -23.549 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.584 -38.389 -24.654 1.00 55.22 H new ATOM 0 HA ASP A 28 -14.518 -40.443 -22.711 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -16.318 -40.048 -24.419 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -15.205 -40.526 -25.685 1.00 2.44 H new ATOM 413 N SER A 29 -12.457 -40.793 -25.267 1.00 43.14 N ATOM 414 CA SER A 29 -11.294 -41.531 -25.748 1.00 21.41 C ATOM 415 C SER A 29 -10.061 -41.179 -24.919 1.00 74.42 C ATOM 416 O SER A 29 -9.267 -42.058 -24.568 1.00 31.25 O ATOM 417 CB SER A 29 -11.048 -41.220 -27.231 1.00 13.32 C ATOM 418 OG SER A 29 -10.049 -42.064 -27.789 1.00 44.32 O ATOM 0 H SER A 29 -12.767 -40.046 -25.889 1.00 43.14 H new ATOM 0 HA SER A 29 -11.488 -42.598 -25.642 1.00 21.41 H new ATOM 0 HB2 SER A 29 -11.978 -41.341 -27.787 1.00 13.32 H new ATOM 0 HB3 SER A 29 -10.745 -40.178 -27.339 1.00 13.32 H new ATOM 0 HG SER A 29 -9.920 -41.838 -28.734 1.00 44.32 H new ATOM 424 N GLU A 30 -9.917 -39.895 -24.592 1.00 44.24 N ATOM 425 CA GLU A 30 -8.767 -39.423 -23.824 1.00 41.13 C ATOM 426 C GLU A 30 -8.703 -40.100 -22.462 1.00 44.35 C ATOM 427 O GLU A 30 -7.636 -40.184 -21.865 1.00 55.03 O ATOM 428 CB GLU A 30 -8.807 -37.901 -23.640 1.00 34.32 C ATOM 429 CG GLU A 30 -8.725 -37.119 -24.944 1.00 30.32 C ATOM 430 CD GLU A 30 -8.644 -35.621 -24.713 1.00 70.04 C ATOM 431 OE1 GLU A 30 -9.625 -35.042 -24.205 1.00 75.54 O ATOM 432 OE2 GLU A 30 -7.600 -35.016 -25.035 1.00 72.31 O1- ATOM 0 H GLU A 30 -10.582 -39.165 -24.847 1.00 44.24 H new ATOM 0 HA GLU A 30 -7.873 -39.683 -24.391 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -9.728 -37.631 -23.124 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -7.981 -37.601 -22.995 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -7.850 -37.445 -25.506 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -9.599 -37.343 -25.555 1.00 30.32 H new ATOM 439 N PHE A 31 -9.848 -40.576 -21.977 1.00 52.35 N ATOM 440 CA PHE A 31 -9.909 -41.294 -20.705 1.00 4.33 C ATOM 441 C PHE A 31 -8.850 -42.396 -20.667 1.00 54.44 C ATOM 442 O PHE A 31 -7.968 -42.397 -19.803 1.00 42.52 O ATOM 443 CB PHE A 31 -11.312 -41.884 -20.499 1.00 52.22 C ATOM 444 CG PHE A 31 -11.479 -42.635 -19.201 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.449 -44.025 -19.173 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.667 -41.952 -18.010 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.601 -44.712 -17.984 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.820 -42.635 -16.820 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.787 -44.017 -16.807 1.00 11.43 C ATOM 0 H PHE A 31 -10.748 -40.477 -22.447 1.00 52.35 H new ATOM 0 HA PHE A 31 -9.705 -40.594 -19.894 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -12.043 -41.077 -20.536 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -11.537 -42.556 -21.327 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -11.305 -44.574 -20.092 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.694 -40.872 -18.013 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -11.574 -45.792 -17.976 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -11.965 -42.090 -15.899 1.00 65.25 H new ATOM 0 HZ PHE A 31 -11.907 -44.552 -15.876 1.00 11.43 H new ATOM 459 N ASP A 32 -8.925 -43.307 -21.633 1.00 24.45 N ATOM 460 CA ASP A 32 -7.973 -44.413 -21.732 1.00 14.44 C ATOM 461 C ASP A 32 -6.545 -43.886 -21.810 1.00 54.45 C ATOM 462 O ASP A 32 -5.708 -44.207 -20.967 1.00 73.42 O ATOM 463 CB ASP A 32 -8.282 -45.276 -22.966 1.00 2.53 C ATOM 464 CG ASP A 32 -7.254 -46.382 -23.191 1.00 22.33 C ATOM 465 OD1 ASP A 32 -7.484 -47.524 -22.741 1.00 54.10 O ATOM 466 OD2 ASP A 32 -6.217 -46.118 -23.834 1.00 35.01 O1- ATOM 0 H ASP A 32 -9.638 -43.302 -22.362 1.00 24.45 H new ATOM 0 HA ASP A 32 -8.070 -45.028 -20.837 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -9.270 -45.723 -22.852 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -8.321 -44.638 -23.849 1.00 2.53 H new ATOM 471 N ASN A 33 -6.292 -43.050 -22.814 1.00 43.22 N ATOM 472 CA ASN A 33 -4.952 -42.527 -23.087 1.00 4.32 C ATOM 473 C ASN A 33 -4.335 -41.888 -21.839 1.00 12.24 C ATOM 474 O ASN A 33 -3.217 -42.218 -21.447 1.00 43.20 O ATOM 475 CB ASN A 33 -5.012 -41.499 -24.231 1.00 4.00 C ATOM 476 CG ASN A 33 -3.632 -40.994 -24.641 1.00 1.45 C ATOM 477 OD1 ASN A 33 -3.153 -39.979 -24.136 1.00 34.52 O ATOM 478 ND2 ASN A 33 -2.983 -41.693 -25.562 1.00 23.04 N ATOM 0 H ASN A 33 -7.006 -42.716 -23.461 1.00 43.22 H new ATOM 0 HA ASN A 33 -4.319 -43.363 -23.383 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -5.501 -41.950 -25.094 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -5.627 -40.654 -23.923 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -2.058 -41.394 -25.872 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -3.408 -42.530 -25.961 1.00 23.04 H new ATOM 485 N LYS A 34 -5.090 -41.001 -21.203 1.00 32.10 N ATOM 486 CA LYS A 34 -4.602 -40.239 -20.056 1.00 63.34 C ATOM 487 C LYS A 34 -4.379 -41.138 -18.837 1.00 13.43 C ATOM 488 O LYS A 34 -3.381 -40.991 -18.127 1.00 20.22 O ATOM 489 CB LYS A 34 -5.598 -39.121 -19.713 1.00 42.13 C ATOM 490 CG LYS A 34 -5.755 -38.064 -20.808 1.00 54.23 C ATOM 491 CD LYS A 34 -4.518 -37.177 -20.939 1.00 2.25 C ATOM 492 CE LYS A 34 -4.740 -36.052 -21.944 1.00 10.31 C ATOM 493 NZ LYS A 34 -3.545 -35.174 -22.086 1.00 61.25 N1+ ATOM 0 H LYS A 34 -6.053 -40.789 -21.464 1.00 32.10 H new ATOM 0 HA LYS A 34 -3.641 -39.801 -20.325 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -6.572 -39.567 -19.511 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -5.275 -38.631 -18.794 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -5.948 -38.557 -21.761 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -6.623 -37.443 -20.588 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -4.268 -36.753 -19.966 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -3.667 -37.782 -21.251 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -4.991 -36.480 -22.915 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -5.594 -35.451 -21.630 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -3.745 -34.425 -22.779 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -3.319 -34.743 -21.167 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -2.735 -35.740 -22.411 1.00 61.25 H new ATOM 507 N VAL A 35 -5.306 -42.065 -18.595 1.00 1.14 N ATOM 508 CA VAL A 35 -5.226 -42.941 -17.425 1.00 22.00 C ATOM 509 C VAL A 35 -4.085 -43.960 -17.553 1.00 74.14 C ATOM 510 O VAL A 35 -3.420 -44.283 -16.565 1.00 12.35 O ATOM 511 CB VAL A 35 -6.571 -43.680 -17.171 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.428 -44.722 -16.059 1.00 55.41 C ATOM 513 CG2 VAL A 35 -7.678 -42.679 -16.827 1.00 4.12 C ATOM 0 H VAL A 35 -6.118 -42.229 -19.190 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.017 -42.299 -16.570 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.845 -44.201 -18.088 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.384 -45.222 -15.904 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.676 -45.457 -16.344 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.122 -44.229 -15.136 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.611 -43.214 -16.653 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.403 -42.127 -15.928 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -7.809 -41.982 -17.655 1.00 4.12 H new ATOM 523 N THR A 36 -3.847 -44.450 -18.766 1.00 14.23 N ATOM 524 CA THR A 36 -2.843 -45.494 -18.987 1.00 5.43 C ATOM 525 C THR A 36 -1.442 -44.905 -19.183 1.00 53.41 C ATOM 526 O THR A 36 -0.455 -45.468 -18.702 1.00 51.32 O ATOM 527 CB THR A 36 -3.210 -46.376 -20.208 1.00 11.34 C ATOM 528 OG1 THR A 36 -3.413 -45.556 -21.368 1.00 35.24 O ATOM 529 CG2 THR A 36 -4.472 -47.192 -19.936 1.00 31.14 C ATOM 0 H THR A 36 -4.332 -44.145 -19.610 1.00 14.23 H new ATOM 0 HA THR A 36 -2.834 -46.113 -18.090 1.00 5.43 H new ATOM 0 HB THR A 36 -2.382 -47.062 -20.386 1.00 11.34 H new ATOM 0 HG1 THR A 36 -4.354 -45.285 -21.417 1.00 35.24 H new ATOM 0 HG21 THR A 36 -4.706 -47.801 -20.809 1.00 31.14 H new ATOM 0 HG22 THR A 36 -4.308 -47.840 -19.075 1.00 31.14 H new ATOM 0 HG23 THR A 36 -5.304 -46.518 -19.730 1.00 31.14 H new ATOM 537 N SER A 37 -1.364 -43.763 -19.866 1.00 74.54 N ATOM 538 CA SER A 37 -0.077 -43.167 -20.237 1.00 42.32 C ATOM 539 C SER A 37 0.515 -42.325 -19.102 1.00 73.45 C ATOM 540 O SER A 37 1.491 -41.599 -19.308 1.00 65.42 O ATOM 541 CB SER A 37 -0.240 -42.312 -21.507 1.00 1.24 C ATOM 542 OG SER A 37 1.003 -41.799 -21.964 1.00 11.40 O ATOM 0 H SER A 37 -2.177 -43.230 -20.175 1.00 74.54 H new ATOM 0 HA SER A 37 0.620 -43.982 -20.434 1.00 42.32 H new ATOM 0 HB2 SER A 37 -0.695 -42.914 -22.294 1.00 1.24 H new ATOM 0 HB3 SER A 37 -0.921 -41.486 -21.303 1.00 1.24 H new ATOM 0 HG SER A 37 1.588 -41.626 -21.197 1.00 11.40 H new ATOM 548 N CYS A 38 -0.065 -42.423 -17.908 1.00 31.04 N ATOM 549 CA CYS A 38 0.473 -41.722 -16.747 1.00 10.42 C ATOM 550 C CYS A 38 1.908 -42.181 -16.466 1.00 51.55 C ATOM 551 O CYS A 38 2.247 -43.344 -16.708 1.00 23.12 O ATOM 552 CB CYS A 38 -0.425 -41.938 -15.522 1.00 55.23 C ATOM 553 SG CYS A 38 -0.730 -43.673 -15.120 1.00 22.33 S ATOM 0 H CYS A 38 -0.901 -42.977 -17.721 1.00 31.04 H new ATOM 0 HA CYS A 38 0.494 -40.654 -16.963 1.00 10.42 H new ATOM 0 HB2 CYS A 38 0.033 -41.453 -14.660 1.00 55.23 H new ATOM 0 HB3 CYS A 38 -1.381 -41.444 -15.695 1.00 55.23 H new ATOM 0 HG CYS A 38 -1.843 -44.057 -15.671 1.00 22.33 H new ATOM 559 N ASN A 39 2.733 -41.257 -15.963 1.00 72.42 N ATOM 560 CA ASN A 39 4.175 -41.475 -15.776 1.00 15.33 C ATOM 561 C ASN A 39 4.472 -42.835 -15.121 1.00 11.44 C ATOM 562 O ASN A 39 4.807 -43.799 -15.811 1.00 34.54 O ATOM 563 CB ASN A 39 4.770 -40.326 -14.939 1.00 42.12 C ATOM 564 CG ASN A 39 6.293 -40.284 -14.958 1.00 14.24 C ATOM 565 OD1 ASN A 39 6.961 -41.306 -15.092 1.00 23.53 O ATOM 566 ND2 ASN A 39 6.850 -39.090 -14.815 1.00 10.15 N ATOM 0 H ASN A 39 2.419 -40.331 -15.672 1.00 72.42 H new ATOM 0 HA ASN A 39 4.644 -41.487 -16.760 1.00 15.33 H new ATOM 0 HB2 ASN A 39 4.384 -39.378 -15.313 1.00 42.12 H new ATOM 0 HB3 ASN A 39 4.430 -40.425 -13.908 1.00 42.12 H new ATOM 0 HD21 ASN A 39 7.866 -38.998 -14.814 1.00 10.15 H new ATOM 0 HD22 ASN A 39 6.263 -38.263 -14.706 1.00 10.15 H new ATOM 573 N ASP A 40 4.337 -42.911 -13.796 1.00 2.41 N ATOM 574 CA ASP A 40 4.567 -44.160 -13.057 1.00 42.21 C ATOM 575 C ASP A 40 3.902 -44.097 -11.685 1.00 11.11 C ATOM 576 O ASP A 40 4.168 -43.182 -10.908 1.00 52.12 O ATOM 577 CB ASP A 40 6.076 -44.448 -12.883 1.00 54.20 C ATOM 578 CG ASP A 40 6.645 -45.378 -13.950 1.00 63.42 C ATOM 579 OD1 ASP A 40 6.358 -46.595 -13.904 1.00 24.22 O ATOM 580 OD2 ASP A 40 7.398 -44.908 -14.828 1.00 1.42 O1- ATOM 0 H ASP A 40 4.069 -42.122 -13.208 1.00 2.41 H new ATOM 0 HA ASP A 40 4.127 -44.969 -13.640 1.00 42.21 H new ATOM 0 HB2 ASP A 40 6.623 -43.505 -12.905 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.243 -44.890 -11.901 1.00 54.20 H new ATOM 585 N ASN A 41 3.011 -45.055 -11.412 1.00 20.22 N ATOM 586 CA ASN A 41 2.383 -45.207 -10.087 1.00 43.41 C ATOM 587 C ASN A 41 1.542 -43.982 -9.705 1.00 72.45 C ATOM 588 O ASN A 41 1.031 -43.897 -8.581 1.00 25.45 O ATOM 589 CB ASN A 41 3.449 -45.467 -9.001 1.00 53.22 C ATOM 590 CG ASN A 41 4.152 -46.816 -9.133 1.00 43.00 C ATOM 591 OD1 ASN A 41 4.276 -47.330 -10.350 1.00 12.13 O flip ATOM 592 ND2 ASN A 41 4.599 -47.390 -8.139 1.00 51.54 N flip ATOM 0 H ASN A 41 2.703 -45.746 -12.096 1.00 20.22 H new ATOM 0 HA ASN A 41 1.716 -46.067 -10.150 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.196 -44.674 -9.042 1.00 53.22 H new ATOM 0 HB3 ASN A 41 2.976 -45.409 -8.021 1.00 53.22 H new ATOM 0 HD21 ASN A 41 4.489 -46.971 -7.216 1.00 51.54 H new ATOM 0 HD22 ASN A 41 5.079 -48.284 -8.239 1.00 51.54 H new ATOM 599 N ILE A 42 1.377 -43.057 -10.649 1.00 4.44 N ATOM 600 CA ILE A 42 0.675 -41.800 -10.396 1.00 53.42 C ATOM 601 C ILE A 42 -0.771 -42.050 -9.962 1.00 61.41 C ATOM 602 O ILE A 42 -1.459 -42.912 -10.517 1.00 70.51 O ATOM 603 CB ILE A 42 0.685 -40.885 -11.651 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.131 -40.572 -12.079 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.095 -39.594 -11.395 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.954 -39.863 -11.017 1.00 11.11 C ATOM 0 H ILE A 42 1.723 -43.156 -11.603 1.00 4.44 H new ATOM 0 HA ILE A 42 1.206 -41.297 -9.588 1.00 53.42 H new ATOM 0 HB ILE A 42 0.192 -41.419 -12.464 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.629 -41.504 -12.347 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.107 -39.954 -12.977 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.072 -38.972 -12.290 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.129 -39.836 -11.148 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.359 -39.053 -10.565 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.959 -39.679 -11.398 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.482 -38.913 -10.765 1.00 11.11 H new ATOM 0 HD13 ILE A 42 3.012 -40.487 -10.125 1.00 11.11 H new ATOM 618 N LEU A 43 -1.208 -41.296 -8.957 1.00 61.41 N ATOM 619 CA LEU A 43 -2.580 -41.357 -8.470 1.00 72.33 C ATOM 620 C LEU A 43 -3.459 -40.513 -9.389 1.00 70.42 C ATOM 621 O LEU A 43 -3.199 -39.326 -9.591 1.00 24.44 O ATOM 622 CB LEU A 43 -2.662 -40.823 -7.023 1.00 53.01 C ATOM 623 CG LEU A 43 -3.783 -41.401 -6.129 1.00 15.11 C ATOM 624 CD1 LEU A 43 -3.906 -40.589 -4.845 1.00 20.34 C ATOM 625 CD2 LEU A 43 -5.124 -41.465 -6.856 1.00 60.11 C ATOM 0 H LEU A 43 -0.621 -40.627 -8.459 1.00 61.41 H new ATOM 0 HA LEU A 43 -2.924 -42.391 -8.471 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -1.706 -41.015 -6.536 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -2.786 -39.741 -7.067 1.00 53.01 H new ATOM 0 HG LEU A 43 -3.506 -42.425 -5.878 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -4.699 -41.007 -4.225 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -2.963 -40.624 -4.300 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.145 -39.554 -5.090 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -5.880 -41.878 -6.188 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -5.419 -40.462 -7.163 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -5.031 -42.101 -7.736 1.00 60.11 H new ATOM 637 N ILE A 44 -4.484 -41.129 -9.943 1.00 53.43 N ATOM 638 CA ILE A 44 -5.386 -40.464 -10.871 1.00 3.43 C ATOM 639 C ILE A 44 -6.787 -40.382 -10.276 1.00 52.32 C ATOM 640 O ILE A 44 -7.377 -41.401 -9.929 1.00 63.21 O ATOM 641 CB ILE A 44 -5.441 -41.226 -12.217 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.058 -41.220 -12.893 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.512 -40.639 -13.139 1.00 35.25 C ATOM 644 CD1 ILE A 44 -4.000 -42.019 -14.178 1.00 52.24 C ATOM 0 H ILE A 44 -4.718 -42.106 -9.764 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.010 -39.457 -11.049 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.716 -42.261 -12.015 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -3.772 -40.190 -13.104 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.322 -41.619 -12.195 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.528 -41.194 -14.077 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.487 -40.712 -12.657 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.285 -39.592 -13.340 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -2.994 -41.966 -14.594 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.253 -43.059 -13.972 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.711 -41.608 -14.895 1.00 52.24 H new ATOM 656 N LEU A 45 -7.306 -39.169 -10.138 1.00 65.44 N ATOM 657 CA LEU A 45 -8.677 -38.967 -9.682 1.00 1.02 C ATOM 658 C LEU A 45 -9.518 -38.453 -10.843 1.00 41.11 C ATOM 659 O LEU A 45 -9.296 -37.345 -11.329 1.00 73.21 O ATOM 660 CB LEU A 45 -8.754 -37.966 -8.516 1.00 45.12 C ATOM 661 CG LEU A 45 -7.976 -38.336 -7.237 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.471 -38.204 -7.449 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.430 -37.464 -6.068 1.00 43.24 C ATOM 0 H LEU A 45 -6.797 -38.307 -10.336 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.057 -39.924 -9.325 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.389 -37.002 -8.870 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.803 -37.832 -8.250 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.191 -39.378 -7.001 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -5.949 -38.471 -6.530 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.157 -38.871 -8.252 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.230 -37.175 -7.717 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -7.872 -37.737 -5.172 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.248 -36.416 -6.304 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.495 -37.616 -5.892 1.00 43.24 H new ATOM 675 N VAL A 46 -10.461 -39.259 -11.299 1.00 52.30 N ATOM 676 CA VAL A 46 -11.345 -38.864 -12.383 1.00 52.42 C ATOM 677 C VAL A 46 -12.662 -38.344 -11.817 1.00 21.23 C ATOM 678 O VAL A 46 -13.483 -39.117 -11.315 1.00 14.33 O ATOM 679 CB VAL A 46 -11.618 -40.042 -13.352 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.545 -39.610 -14.489 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.304 -40.603 -13.903 1.00 72.45 C ATOM 0 H VAL A 46 -10.635 -40.195 -10.934 1.00 52.30 H new ATOM 0 HA VAL A 46 -10.851 -38.073 -12.946 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.119 -40.833 -12.793 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.721 -40.454 -15.155 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.494 -39.270 -14.075 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.081 -38.797 -15.048 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.517 -41.429 -14.581 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -9.771 -39.819 -14.442 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.687 -40.960 -13.079 1.00 72.45 H new ATOM 691 N ASP A 47 -12.828 -37.029 -11.856 1.00 11.12 N ATOM 692 CA ASP A 47 -14.074 -36.390 -11.446 1.00 51.13 C ATOM 693 C ASP A 47 -15.116 -36.478 -12.557 1.00 54.22 C ATOM 694 O ASP A 47 -14.840 -36.128 -13.712 1.00 62.13 O ATOM 695 CB ASP A 47 -13.825 -34.920 -11.085 1.00 0.54 C ATOM 696 CG ASP A 47 -15.116 -34.148 -10.829 1.00 13.50 C ATOM 697 OD1 ASP A 47 -15.733 -34.346 -9.764 1.00 30.41 O ATOM 698 OD2 ASP A 47 -15.504 -33.326 -11.692 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.109 -36.378 -12.170 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.452 -36.915 -10.568 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.195 -34.870 -10.197 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -13.274 -34.440 -11.894 1.00 0.54 H new ATOM 703 N PHE A 48 -16.297 -36.971 -12.210 1.00 33.43 N ATOM 704 CA PHE A 48 -17.428 -36.973 -13.126 1.00 51.34 C ATOM 705 C PHE A 48 -18.267 -35.729 -12.862 1.00 61.52 C ATOM 706 O PHE A 48 -18.677 -35.487 -11.724 1.00 13.11 O ATOM 707 CB PHE A 48 -18.273 -38.244 -12.954 1.00 65.22 C ATOM 708 CG PHE A 48 -19.376 -38.378 -13.978 1.00 13.55 C ATOM 709 CD1 PHE A 48 -19.107 -38.890 -15.240 1.00 62.52 C ATOM 710 CD2 PHE A 48 -20.677 -37.989 -13.682 1.00 12.32 C ATOM 711 CE1 PHE A 48 -20.109 -39.012 -16.184 1.00 14.23 C ATOM 712 CE2 PHE A 48 -21.682 -38.110 -14.624 1.00 3.03 C ATOM 713 CZ PHE A 48 -21.399 -38.623 -15.875 1.00 0.02 C ATOM 0 H PHE A 48 -16.497 -37.377 -11.296 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.064 -36.962 -14.153 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -17.621 -39.115 -13.018 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -18.712 -38.247 -11.956 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -18.102 -39.197 -15.487 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -20.906 -37.588 -12.706 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -19.884 -39.411 -17.162 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -22.689 -37.803 -14.382 1.00 3.03 H new ATOM 0 HZ PHE A 48 -22.184 -38.720 -16.610 1.00 0.02 H new ATOM 723 N TRP A 49 -18.513 -34.946 -13.911 1.00 62.40 N ATOM 724 CA TRP A 49 -19.200 -33.663 -13.777 1.00 3.51 C ATOM 725 C TRP A 49 -20.534 -33.812 -13.045 1.00 41.31 C ATOM 726 O TRP A 49 -21.279 -34.769 -13.265 1.00 63.54 O ATOM 727 CB TRP A 49 -19.422 -33.013 -15.151 1.00 40.21 C ATOM 728 CG TRP A 49 -20.066 -31.661 -15.055 1.00 42.53 C ATOM 729 CD1 TRP A 49 -21.383 -31.362 -15.256 1.00 65.23 C ATOM 730 CD2 TRP A 49 -19.425 -30.428 -14.703 1.00 72.13 C ATOM 731 NE1 TRP A 49 -21.597 -30.022 -15.055 1.00 33.30 N ATOM 732 CE2 TRP A 49 -20.412 -29.427 -14.718 1.00 34.35 C ATOM 733 CE3 TRP A 49 -18.111 -30.073 -14.381 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -20.129 -28.097 -14.419 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -17.831 -28.753 -14.085 1.00 74.34 C ATOM 736 CH2 TRP A 49 -18.835 -27.778 -14.108 1.00 43.42 C ATOM 0 H TRP A 49 -18.245 -35.179 -14.867 1.00 62.40 H new ATOM 0 HA TRP A 49 -18.558 -33.015 -13.181 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -18.464 -32.919 -15.663 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -20.047 -33.666 -15.761 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -22.145 -32.076 -15.533 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -22.495 -29.546 -15.143 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -17.329 -30.818 -14.364 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -20.903 -27.344 -14.432 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -16.820 -28.469 -13.832 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -18.584 -26.754 -13.876 1.00 43.42 H new ATOM 747 N ALA A 50 -20.821 -32.846 -12.179 1.00 41.34 N ATOM 748 CA ALA A 50 -22.035 -32.846 -11.377 1.00 51.22 C ATOM 749 C ALA A 50 -23.135 -32.014 -12.042 1.00 20.23 C ATOM 750 O ALA A 50 -23.044 -30.785 -12.087 1.00 33.32 O ATOM 751 CB ALA A 50 -21.730 -32.302 -9.985 1.00 54.33 C ATOM 0 H ALA A 50 -20.217 -32.041 -12.015 1.00 41.34 H new ATOM 0 HA ALA A 50 -22.395 -33.871 -11.294 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -22.641 -32.303 -9.386 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -20.980 -32.930 -9.505 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -21.351 -31.283 -10.067 1.00 54.33 H new ATOM 757 N PRO A 51 -24.187 -32.670 -12.580 1.00 55.40 N ATOM 758 CA PRO A 51 -25.339 -31.967 -13.164 1.00 12.22 C ATOM 759 C PRO A 51 -26.038 -31.096 -12.120 1.00 34.03 C ATOM 760 O PRO A 51 -26.587 -30.039 -12.434 1.00 2.20 O ATOM 761 CB PRO A 51 -26.258 -33.102 -13.650 1.00 62.34 C ATOM 762 CG PRO A 51 -25.812 -34.310 -12.895 1.00 64.33 C ATOM 763 CD PRO A 51 -24.334 -34.133 -12.674 1.00 24.12 C ATOM 0 HA PRO A 51 -25.054 -31.288 -13.968 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -27.305 -32.875 -13.449 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -26.165 -33.252 -14.726 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -26.342 -34.396 -11.946 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -26.017 -35.221 -13.458 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -23.999 -34.632 -11.764 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -23.750 -34.545 -13.497 1.00 24.12 H new ATOM 771 N TRP A 52 -26.008 -31.557 -10.870 1.00 52.31 N ATOM 772 CA TRP A 52 -26.496 -30.782 -9.739 1.00 61.04 C ATOM 773 C TRP A 52 -25.299 -30.176 -9.016 1.00 61.45 C ATOM 774 O TRP A 52 -24.678 -30.822 -8.169 1.00 73.15 O ATOM 775 CB TRP A 52 -27.316 -31.667 -8.785 1.00 34.34 C ATOM 776 CG TRP A 52 -27.937 -30.913 -7.642 1.00 2.33 C ATOM 777 CD1 TRP A 52 -27.443 -30.785 -6.374 1.00 55.55 C ATOM 778 CD2 TRP A 52 -29.165 -30.175 -7.670 1.00 2.31 C ATOM 779 NE1 TRP A 52 -28.291 -30.019 -5.612 1.00 21.24 N ATOM 780 CE2 TRP A 52 -29.357 -29.634 -6.385 1.00 34.23 C ATOM 781 CE3 TRP A 52 -30.125 -29.924 -8.657 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -30.464 -28.853 -6.065 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -31.223 -29.150 -8.337 1.00 4.30 C ATOM 784 CH2 TRP A 52 -31.386 -28.624 -7.050 1.00 60.21 C ATOM 0 H TRP A 52 -25.645 -32.476 -10.617 1.00 52.31 H new ATOM 0 HA TRP A 52 -27.153 -29.988 -10.094 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -28.104 -32.163 -9.352 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -26.671 -32.449 -8.385 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -26.520 -31.222 -6.022 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -28.151 -29.776 -4.631 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -30.009 -30.329 -9.652 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -30.591 -28.442 -5.074 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -31.968 -28.947 -9.092 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -32.257 -28.025 -6.830 1.00 60.21 H new ATOM 795 N CYS A 53 -24.947 -28.954 -9.384 1.00 50.22 N ATOM 796 CA CYS A 53 -23.754 -28.317 -8.852 1.00 20.35 C ATOM 797 C CYS A 53 -24.099 -27.500 -7.605 1.00 44.23 C ATOM 798 O CYS A 53 -24.462 -26.325 -7.693 1.00 40.01 O ATOM 799 CB CYS A 53 -23.099 -27.436 -9.928 1.00 43.12 C ATOM 800 SG CYS A 53 -21.376 -26.940 -9.565 1.00 63.30 S ATOM 0 H CYS A 53 -25.471 -28.384 -10.049 1.00 50.22 H new ATOM 0 HA CYS A 53 -23.039 -29.087 -8.563 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -23.116 -27.972 -10.877 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -23.702 -26.537 -10.059 1.00 43.12 H new ATOM 805 N GLY A 54 -24.038 -28.157 -6.448 1.00 43.40 N ATOM 806 CA GLY A 54 -24.249 -27.481 -5.174 1.00 13.40 C ATOM 807 C GLY A 54 -22.967 -27.415 -4.361 1.00 4.44 C ATOM 808 O GLY A 54 -22.219 -26.441 -4.458 1.00 31.03 O ATOM 0 H GLY A 54 -23.844 -29.155 -6.369 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -24.620 -26.472 -5.353 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -25.016 -28.006 -4.605 1.00 13.40 H new ATOM 812 N PRO A 55 -22.664 -28.469 -3.570 1.00 11.55 N ATOM 813 CA PRO A 55 -21.419 -28.556 -2.785 1.00 25.30 C ATOM 814 C PRO A 55 -20.172 -28.500 -3.672 1.00 32.04 C ATOM 815 O PRO A 55 -19.052 -28.336 -3.183 1.00 53.41 O ATOM 816 CB PRO A 55 -21.519 -29.921 -2.083 1.00 54.22 C ATOM 817 CG PRO A 55 -22.973 -30.257 -2.101 1.00 31.01 C ATOM 818 CD PRO A 55 -23.522 -29.650 -3.365 1.00 51.53 C ATOM 0 HA PRO A 55 -21.319 -27.720 -2.093 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.932 -30.677 -2.605 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -21.138 -29.869 -1.063 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -23.124 -31.336 -2.088 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -23.478 -29.854 -1.223 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -23.461 -30.343 -4.204 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -24.570 -29.372 -3.256 1.00 51.53 H new ATOM 826 N CYS A 56 -20.391 -28.634 -4.981 1.00 70.12 N ATOM 827 CA CYS A 56 -19.327 -28.575 -5.980 1.00 20.13 C ATOM 828 C CYS A 56 -18.464 -27.332 -5.785 1.00 71.35 C ATOM 829 O CYS A 56 -17.237 -27.402 -5.831 1.00 52.03 O ATOM 830 CB CYS A 56 -19.954 -28.537 -7.376 1.00 24.21 C ATOM 831 SG CYS A 56 -21.183 -27.200 -7.561 1.00 62.21 S ATOM 0 H CYS A 56 -21.318 -28.787 -5.379 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.696 -29.457 -5.869 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -19.168 -28.407 -8.119 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -20.432 -29.495 -7.581 1.00 24.21 H new ATOM 836 N ARG A 57 -19.129 -26.205 -5.538 1.00 42.14 N ATOM 837 CA ARG A 57 -18.458 -24.914 -5.413 1.00 30.24 C ATOM 838 C ARG A 57 -17.353 -24.956 -4.357 1.00 54.23 C ATOM 839 O ARG A 57 -16.297 -24.361 -4.543 1.00 53.21 O ATOM 840 CB ARG A 57 -19.478 -23.813 -5.081 1.00 42.45 C ATOM 841 CG ARG A 57 -20.531 -23.609 -6.168 1.00 14.45 C ATOM 842 CD ARG A 57 -21.466 -22.452 -5.840 1.00 71.53 C ATOM 843 NE ARG A 57 -22.470 -22.236 -6.887 1.00 20.02 N ATOM 844 CZ ARG A 57 -23.059 -21.061 -7.131 1.00 74.44 C ATOM 845 NH1 ARG A 57 -22.701 -19.975 -6.452 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -23.995 -20.973 -8.066 1.00 33.01 N ATOM 0 H ARG A 57 -20.141 -26.161 -5.420 1.00 42.14 H new ATOM 0 HA ARG A 57 -17.991 -24.686 -6.371 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -19.978 -24.062 -4.145 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -18.948 -22.874 -4.919 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -20.037 -23.418 -7.121 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -21.112 -24.523 -6.287 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -21.968 -22.650 -4.893 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -20.882 -21.542 -5.706 1.00 71.53 H new ATOM 0 HE ARG A 57 -22.736 -23.033 -7.466 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -21.973 -20.036 -5.740 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -23.154 -19.082 -6.643 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -24.264 -21.801 -8.597 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -24.446 -20.077 -8.254 1.00 33.01 H new ATOM 860 N SER A 58 -17.624 -25.620 -3.238 1.00 22.42 N ATOM 861 CA SER A 58 -16.620 -25.826 -2.190 1.00 70.35 C ATOM 862 C SER A 58 -15.604 -26.915 -2.581 1.00 50.02 C ATOM 863 O SER A 58 -14.372 -26.707 -2.566 1.00 63.20 O ATOM 864 CB SER A 58 -17.324 -26.210 -0.882 1.00 12.11 C ATOM 865 OG SER A 58 -18.391 -25.317 -0.598 1.00 40.31 O ATOM 0 H SER A 58 -18.535 -26.028 -3.029 1.00 22.42 H new ATOM 0 HA SER A 58 -16.069 -24.895 -2.057 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.707 -27.228 -0.956 1.00 12.11 H new ATOM 0 HB3 SER A 58 -16.607 -26.198 -0.061 1.00 12.11 H new ATOM 0 HG SER A 58 -18.826 -25.583 0.239 1.00 40.31 H new ATOM 871 N LEU A 59 -16.141 -28.077 -2.941 1.00 35.33 N ATOM 872 CA LEU A 59 -15.344 -29.290 -3.108 1.00 33.30 C ATOM 873 C LEU A 59 -14.287 -29.132 -4.200 1.00 51.22 C ATOM 874 O LEU A 59 -13.140 -29.522 -4.007 1.00 44.13 O ATOM 875 CB LEU A 59 -16.253 -30.495 -3.424 1.00 34.51 C ATOM 876 CG LEU A 59 -15.973 -31.770 -2.602 1.00 64.10 C ATOM 877 CD1 LEU A 59 -14.520 -32.215 -2.750 1.00 21.22 C ATOM 878 CD2 LEU A 59 -16.324 -31.547 -1.134 1.00 63.33 C ATOM 0 H LEU A 59 -17.136 -28.205 -3.125 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.826 -29.468 -2.166 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -17.289 -30.199 -3.261 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -16.153 -30.736 -4.482 1.00 34.51 H new ATOM 0 HG LEU A 59 -16.606 -32.568 -2.991 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -14.353 -33.116 -2.159 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.309 -32.424 -3.799 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -13.859 -31.423 -2.398 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -16.120 -32.457 -0.569 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -15.722 -30.730 -0.736 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -17.381 -31.295 -1.047 1.00 63.33 H new ATOM 890 N GLU A 60 -14.669 -28.555 -5.336 1.00 25.40 N ATOM 891 CA GLU A 60 -13.764 -28.465 -6.482 1.00 51.24 C ATOM 892 C GLU A 60 -12.484 -27.689 -6.125 1.00 31.13 C ATOM 893 O GLU A 60 -11.386 -28.201 -6.337 1.00 60.23 O ATOM 894 CB GLU A 60 -14.480 -27.858 -7.699 1.00 44.05 C ATOM 895 CG GLU A 60 -13.631 -27.833 -8.969 1.00 51.15 C ATOM 896 CD GLU A 60 -14.447 -27.515 -10.211 1.00 40.34 C ATOM 897 OE1 GLU A 60 -14.717 -28.449 -11.006 1.00 65.12 O ATOM 898 OE2 GLU A 60 -14.833 -26.341 -10.387 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.591 -28.145 -5.489 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.459 -29.476 -6.752 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -15.390 -28.426 -7.893 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -14.785 -26.840 -7.458 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -12.840 -27.091 -8.858 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -13.145 -28.800 -9.096 1.00 51.15 H new ATOM 905 N PRO A 61 -12.581 -26.455 -5.564 1.00 40.44 N ATOM 906 CA PRO A 61 -11.397 -25.736 -5.085 1.00 20.54 C ATOM 907 C PRO A 61 -10.681 -26.488 -3.965 1.00 64.23 C ATOM 908 O PRO A 61 -9.450 -26.407 -3.843 1.00 41.33 O ATOM 909 CB PRO A 61 -11.934 -24.383 -4.595 1.00 61.44 C ATOM 910 CG PRO A 61 -13.399 -24.575 -4.433 1.00 3.54 C ATOM 911 CD PRO A 61 -13.800 -25.646 -5.416 1.00 61.33 C ATOM 0 HA PRO A 61 -10.651 -25.625 -5.872 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -11.469 -24.094 -3.652 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.718 -23.592 -5.313 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.641 -24.874 -3.413 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.936 -23.647 -4.629 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.633 -26.241 -5.042 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -14.115 -25.219 -6.368 1.00 61.33 H new ATOM 919 N GLN A 62 -11.436 -27.235 -3.145 1.00 1.31 N ATOM 920 CA GLN A 62 -10.804 -28.095 -2.141 1.00 64.23 C ATOM 921 C GLN A 62 -9.954 -29.164 -2.836 1.00 72.30 C ATOM 922 O GLN A 62 -8.873 -29.524 -2.364 1.00 45.13 O ATOM 923 CB GLN A 62 -11.841 -28.740 -1.208 1.00 52.44 C ATOM 924 CG GLN A 62 -12.598 -27.733 -0.347 1.00 75.21 C ATOM 925 CD GLN A 62 -13.454 -28.381 0.730 1.00 5.22 C ATOM 926 OE1 GLN A 62 -13.124 -29.446 1.243 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.548 -27.731 1.094 1.00 34.41 N ATOM 0 H GLN A 62 -12.456 -27.260 -3.157 1.00 1.31 H new ATOM 0 HA GLN A 62 -10.159 -27.474 -1.519 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.556 -29.303 -1.808 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.337 -29.455 -0.558 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.883 -27.059 0.125 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -13.234 -27.124 -0.989 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -14.790 -26.848 0.645 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.149 -28.113 1.824 1.00 34.41 H new ATOM 936 N LEU A 63 -10.442 -29.638 -3.984 1.00 4.32 N ATOM 937 CA LEU A 63 -9.708 -30.597 -4.804 1.00 24.11 C ATOM 938 C LEU A 63 -8.494 -29.921 -5.434 1.00 34.30 C ATOM 939 O LEU A 63 -7.427 -30.524 -5.530 1.00 14.04 O ATOM 940 CB LEU A 63 -10.611 -31.192 -5.899 1.00 72.32 C ATOM 941 CG LEU A 63 -11.772 -32.067 -5.402 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.626 -32.547 -6.576 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.246 -33.251 -4.591 1.00 74.14 C ATOM 0 H LEU A 63 -11.349 -29.370 -4.367 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.373 -31.411 -4.162 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.024 -30.373 -6.488 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -9.993 -31.788 -6.570 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.402 -31.463 -4.749 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.443 -33.165 -6.203 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.035 -31.686 -7.105 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.010 -33.133 -7.258 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.084 -33.858 -4.248 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.590 -33.857 -5.216 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.688 -32.883 -3.730 1.00 74.14 H new ATOM 955 N GLU A 64 -8.669 -28.665 -5.862 1.00 4.53 N ATOM 956 CA GLU A 64 -7.560 -27.869 -6.389 1.00 14.32 C ATOM 957 C GLU A 64 -6.417 -27.846 -5.382 1.00 63.35 C ATOM 958 O GLU A 64 -5.262 -28.088 -5.733 1.00 10.34 O ATOM 959 CB GLU A 64 -7.996 -26.426 -6.697 1.00 61.33 C ATOM 960 CG GLU A 64 -9.009 -26.293 -7.830 1.00 42.54 C ATOM 961 CD GLU A 64 -9.373 -24.838 -8.103 1.00 13.44 C ATOM 962 OE1 GLU A 64 -10.488 -24.410 -7.736 1.00 52.13 O ATOM 963 OE2 GLU A 64 -8.532 -24.104 -8.654 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.567 -28.181 -5.853 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.230 -28.332 -7.319 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.422 -25.989 -5.794 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -7.112 -25.840 -6.948 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -8.600 -26.741 -8.736 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -9.911 -26.851 -7.577 1.00 42.54 H new ATOM 970 N LYS A 65 -6.755 -27.572 -4.123 1.00 0.43 N ATOM 971 CA LYS A 65 -5.760 -27.517 -3.055 1.00 4.21 C ATOM 972 C LYS A 65 -5.015 -28.847 -2.922 1.00 63.22 C ATOM 973 O LYS A 65 -3.779 -28.878 -2.944 1.00 64.34 O ATOM 974 CB LYS A 65 -6.411 -27.134 -1.717 1.00 2.10 C ATOM 975 CG LYS A 65 -5.447 -27.194 -0.532 1.00 73.25 C ATOM 976 CD LYS A 65 -6.038 -26.580 0.736 1.00 53.43 C ATOM 977 CE LYS A 65 -6.321 -25.089 0.574 1.00 74.54 C ATOM 978 NZ LYS A 65 -6.746 -24.467 1.854 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.710 -27.385 -3.818 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.036 -26.747 -3.320 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -6.817 -26.125 -1.795 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.251 -27.802 -1.526 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.179 -28.233 -0.338 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.526 -26.671 -0.790 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -6.962 -27.098 0.992 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -5.348 -26.729 1.566 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -5.427 -24.587 0.205 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -7.099 -24.946 -0.176 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -6.929 -23.454 1.704 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -7.614 -24.929 2.193 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -5.993 -24.581 2.562 1.00 62.51 H new ATOM 992 N LEU A 66 -5.762 -29.947 -2.796 1.00 12.42 N ATOM 993 CA LEU A 66 -5.143 -31.265 -2.652 1.00 2.43 C ATOM 994 C LEU A 66 -4.324 -31.597 -3.893 1.00 60.12 C ATOM 995 O LEU A 66 -3.265 -32.213 -3.804 1.00 51.14 O ATOM 996 CB LEU A 66 -6.195 -32.359 -2.397 1.00 45.35 C ATOM 997 CG LEU A 66 -7.180 -32.062 -1.252 1.00 74.51 C ATOM 998 CD1 LEU A 66 -8.180 -33.202 -1.096 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.430 -31.807 0.056 1.00 41.11 C ATOM 0 H LEU A 66 -6.782 -29.952 -2.791 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.483 -31.233 -1.785 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.764 -32.515 -3.314 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.679 -33.294 -2.179 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.734 -31.157 -1.502 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.868 -32.974 -0.282 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.742 -33.323 -2.022 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.647 -34.126 -0.872 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -7.146 -31.599 0.851 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.843 -32.688 0.317 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.765 -30.952 -0.066 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.810 -31.151 -5.047 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.118 -31.369 -6.308 1.00 1.23 C ATOM 1013 C ALA A 67 -2.779 -30.647 -6.298 1.00 3.40 C ATOM 1014 O ALA A 67 -1.769 -31.202 -6.699 1.00 21.23 O ATOM 1015 CB ALA A 67 -4.974 -30.905 -7.483 1.00 34.31 C ATOM 0 H ALA A 67 -5.685 -30.634 -5.133 1.00 43.32 H new ATOM 0 HA ALA A 67 -3.938 -32.437 -6.427 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.436 -31.078 -8.415 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -5.910 -31.464 -7.495 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.188 -29.841 -7.379 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.781 -29.413 -5.805 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.566 -28.604 -5.746 1.00 34.53 C ATOM 1023 C GLN A 68 -0.540 -29.223 -4.798 1.00 14.40 C ATOM 1024 O GLN A 68 0.640 -29.334 -5.134 1.00 34.01 O ATOM 1025 CB GLN A 68 -1.880 -27.170 -5.293 1.00 73.12 C ATOM 1026 CG GLN A 68 -2.734 -26.379 -6.275 1.00 63.23 C ATOM 1027 CD GLN A 68 -2.865 -24.916 -5.889 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -3.768 -24.531 -5.145 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -1.960 -24.089 -6.390 1.00 35.24 N ATOM 0 H GLN A 68 -3.612 -28.949 -5.439 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.147 -28.575 -6.752 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.393 -27.208 -4.332 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -0.942 -26.638 -5.133 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -2.296 -26.450 -7.271 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.726 -26.827 -6.330 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -1.227 -24.446 -7.003 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -1.996 -23.095 -6.163 1.00 35.24 H new ATOM 1038 N GLN A 69 -0.997 -29.624 -3.615 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.105 -30.150 -2.585 1.00 22.40 C ATOM 1040 C GLN A 69 0.390 -31.556 -2.945 1.00 3.21 C ATOM 1041 O GLN A 69 1.528 -31.923 -2.649 1.00 75.41 O ATOM 1042 CB GLN A 69 -0.824 -30.173 -1.226 1.00 11.52 C ATOM 1043 CG GLN A 69 0.082 -30.534 -0.049 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.664 -30.609 1.274 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -0.765 -29.484 1.962 1.00 65.51 O flip ATOM 1046 NE2 GLN A 69 -1.149 -31.668 1.671 1.00 31.30 N flip ATOM 0 H GLN A 69 -1.980 -29.595 -3.345 1.00 23.22 H new ATOM 0 HA GLN A 69 0.763 -29.493 -2.521 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.266 -29.193 -1.044 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.644 -30.889 -1.273 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.559 -31.494 -0.246 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.878 -29.793 0.030 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.050 -32.515 1.112 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -1.650 -31.698 2.559 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.470 -32.333 -3.596 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.178 -33.735 -3.895 1.00 60.14 C ATOM 1057 C TYR A 70 0.185 -33.953 -5.369 1.00 40.42 C ATOM 1058 O TYR A 70 0.409 -35.089 -5.789 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.363 -34.624 -3.497 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.673 -34.601 -2.008 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.968 -34.385 -1.539 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.663 -34.783 -1.071 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -3.243 -34.359 -0.185 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.931 -34.760 0.284 1.00 4.24 C ATOM 1065 CZ TYR A 70 -2.220 -34.545 0.722 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.486 -34.519 2.073 1.00 12.52 O ATOM 0 H TYR A 70 -1.380 -32.015 -3.929 1.00 14.41 H new ATOM 0 HA TYR A 70 0.694 -34.016 -3.305 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.247 -34.303 -4.048 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -1.154 -35.650 -3.800 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.770 -34.235 -2.246 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.350 -34.945 -1.408 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -4.253 -34.194 0.161 1.00 62.24 H new ATOM 0 HE2 TYR A 70 -0.134 -34.910 0.997 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.656 -34.668 2.573 1.00 12.52 H new ATOM 1076 N THR A 71 0.269 -32.866 -6.142 1.00 61.35 N ATOM 1077 CA THR A 71 0.551 -32.945 -7.586 1.00 51.44 C ATOM 1078 C THR A 71 1.820 -33.758 -7.868 1.00 2.11 C ATOM 1079 O THR A 71 2.027 -34.244 -8.981 1.00 63.31 O ATOM 1080 CB THR A 71 0.700 -31.529 -8.214 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.858 -31.621 -9.637 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.886 -30.777 -7.620 1.00 4.22 C ATOM 0 H THR A 71 0.146 -31.915 -5.794 1.00 61.35 H new ATOM 0 HA THR A 71 -0.301 -33.449 -8.043 1.00 51.44 H new ATOM 0 HB THR A 71 -0.211 -30.976 -7.985 1.00 32.42 H new ATOM 0 HG1 THR A 71 1.107 -30.744 -9.996 1.00 20.15 H new ATOM 0 HG21 THR A 71 1.960 -29.792 -8.081 1.00 4.22 H new ATOM 0 HG22 THR A 71 1.744 -30.664 -6.545 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.803 -31.336 -7.808 1.00 4.22 H new ATOM 1090 N GLU A 72 2.658 -33.904 -6.845 1.00 51.24 N ATOM 1091 CA GLU A 72 3.880 -34.695 -6.944 1.00 74.02 C ATOM 1092 C GLU A 72 3.569 -36.123 -7.402 1.00 60.10 C ATOM 1093 O GLU A 72 4.324 -36.717 -8.178 1.00 53.34 O ATOM 1094 CB GLU A 72 4.588 -34.735 -5.580 1.00 21.44 C ATOM 1095 CG GLU A 72 4.719 -33.369 -4.912 1.00 35.12 C ATOM 1096 CD GLU A 72 5.467 -32.359 -5.769 1.00 32.11 C ATOM 1097 OE1 GLU A 72 6.710 -32.296 -5.678 1.00 53.51 O ATOM 1098 OE2 GLU A 72 4.818 -31.613 -6.529 1.00 0.13 O1- ATOM 0 H GLU A 72 2.510 -33.480 -5.929 1.00 51.24 H new ATOM 0 HA GLU A 72 4.532 -34.227 -7.682 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.039 -35.402 -4.916 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.582 -35.162 -5.710 1.00 21.44 H new ATOM 0 HG2 GLU A 72 3.724 -32.983 -4.689 1.00 35.12 H new ATOM 0 HG3 GLU A 72 5.237 -33.484 -3.960 1.00 35.12 H new ATOM 1105 N ASN A 73 2.452 -36.667 -6.911 1.00 54.34 N ATOM 1106 CA ASN A 73 2.039 -38.037 -7.239 1.00 53.33 C ATOM 1107 C ASN A 73 0.546 -38.104 -7.572 1.00 50.23 C ATOM 1108 O ASN A 73 -0.021 -39.192 -7.644 1.00 40.15 O ATOM 1109 CB ASN A 73 2.345 -39.000 -6.074 1.00 52.25 C ATOM 1110 CG ASN A 73 3.824 -39.069 -5.717 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.592 -39.793 -6.345 1.00 52.33 O ATOM 1112 ND2 ASN A 73 4.222 -38.348 -4.677 1.00 3.30 N ATOM 0 H ASN A 73 1.814 -36.178 -6.282 1.00 54.34 H new ATOM 0 HA ASN A 73 2.610 -38.342 -8.116 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.781 -38.686 -5.196 1.00 52.25 H new ATOM 0 HB3 ASN A 73 1.996 -39.998 -6.337 1.00 52.25 H new ATOM 0 HD21 ASN A 73 5.195 -38.384 -4.374 1.00 3.30 H new ATOM 0 HD22 ASN A 73 3.555 -37.758 -4.180 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.093 -36.948 -7.765 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.538 -36.896 -8.019 1.00 72.51 C ATOM 1121 C VAL A 74 -1.860 -36.091 -9.279 1.00 33.41 C ATOM 1122 O VAL A 74 -1.250 -35.054 -9.544 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.300 -36.293 -6.804 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.755 -35.969 -7.153 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.239 -37.245 -5.610 1.00 50.05 C ATOM 0 H VAL A 74 0.364 -36.036 -7.751 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.870 -37.923 -8.171 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.808 -35.358 -6.538 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.254 -35.550 -6.279 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.781 -35.245 -7.968 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.267 -36.881 -7.461 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.777 -36.808 -4.769 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.698 -38.196 -5.879 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.199 -37.410 -5.329 1.00 50.05 H new ATOM 1135 N LYS A 75 -2.827 -36.592 -10.046 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.313 -35.931 -11.253 1.00 20.41 C ATOM 1137 C LYS A 75 -4.824 -36.153 -11.375 1.00 63.15 C ATOM 1138 O LYS A 75 -5.284 -37.294 -11.437 1.00 32.02 O ATOM 1139 CB LYS A 75 -2.592 -36.496 -12.487 1.00 33.32 C ATOM 1140 CG LYS A 75 -3.001 -35.849 -13.809 1.00 15.44 C ATOM 1141 CD LYS A 75 -2.574 -34.383 -13.901 1.00 32.33 C ATOM 1142 CE LYS A 75 -2.911 -33.786 -15.267 1.00 62.53 C ATOM 1143 NZ LYS A 75 -2.445 -32.381 -15.399 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.298 -37.474 -9.845 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.109 -34.862 -11.191 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.517 -36.372 -12.353 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -2.784 -37.567 -12.546 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.558 -36.406 -14.635 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -4.083 -35.917 -13.924 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -3.071 -33.809 -13.119 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -1.502 -34.303 -13.723 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -2.454 -34.393 -16.049 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -3.989 -33.825 -15.422 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -2.696 -32.019 -16.341 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -2.900 -31.795 -14.670 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -1.413 -32.345 -15.278 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.593 -35.067 -11.386 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.052 -35.160 -11.455 1.00 43.12 C ATOM 1159 C ILE A 76 -7.551 -34.799 -12.854 1.00 51.15 C ATOM 1160 O ILE A 76 -7.069 -33.843 -13.468 1.00 60.02 O ATOM 1161 CB ILE A 76 -7.734 -34.234 -10.409 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.172 -34.508 -9.001 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.254 -34.417 -10.429 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -7.793 -33.659 -7.909 1.00 73.14 C ATOM 0 H ILE A 76 -5.233 -34.114 -11.348 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.319 -36.192 -11.230 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.515 -33.199 -10.673 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.325 -35.560 -8.759 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.096 -34.336 -9.012 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -9.709 -33.759 -9.689 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -9.637 -34.170 -11.419 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.499 -35.453 -10.193 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.342 -33.914 -6.950 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.618 -32.605 -8.124 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -8.866 -33.847 -7.867 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.508 -35.578 -13.349 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.126 -35.348 -14.653 1.00 12.22 C ATOM 1178 C TYR A 77 -10.632 -35.158 -14.488 1.00 34.33 C ATOM 1179 O TYR A 77 -11.224 -35.693 -13.557 1.00 1.44 O ATOM 1180 CB TYR A 77 -8.883 -36.543 -15.587 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.423 -36.834 -15.887 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.735 -37.833 -15.204 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -6.738 -36.123 -16.866 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.413 -38.112 -15.488 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.414 -36.395 -17.152 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.757 -37.390 -16.462 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.441 -37.668 -16.749 1.00 22.34 O ATOM 0 H TYR A 77 -8.879 -36.390 -12.856 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.679 -34.453 -15.086 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.331 -37.431 -15.141 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.403 -36.362 -16.528 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -7.244 -38.400 -14.439 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.250 -35.345 -17.412 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.895 -38.892 -14.950 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -4.896 -35.830 -17.913 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.128 -37.070 -17.460 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.237 -34.394 -15.387 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.690 -34.251 -15.443 1.00 3.41 C ATOM 1199 C LYS A 78 -13.172 -34.710 -16.815 1.00 25.15 C ATOM 1200 O LYS A 78 -13.009 -33.993 -17.809 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.113 -32.791 -15.198 1.00 53.32 C ATOM 1202 CG LYS A 78 -12.666 -32.227 -13.850 1.00 32.43 C ATOM 1203 CD LYS A 78 -12.999 -30.738 -13.715 1.00 31.14 C ATOM 1204 CE LYS A 78 -14.497 -30.491 -13.553 1.00 3.31 C ATOM 1205 NZ LYS A 78 -14.980 -30.839 -12.189 1.00 62.33 N1+ ATOM 0 H LYS A 78 -10.739 -33.857 -16.097 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.140 -34.863 -14.661 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -12.704 -32.168 -15.993 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -14.199 -32.723 -15.266 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -13.150 -32.782 -13.046 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -11.592 -32.371 -13.735 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -12.470 -30.326 -12.855 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -12.639 -30.206 -14.596 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -14.715 -29.443 -13.757 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -15.042 -31.079 -14.291 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -16.020 -30.852 -12.182 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -14.620 -31.778 -11.922 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -14.638 -30.131 -11.508 1.00 62.33 H new ATOM 1219 N ILE A 79 -13.729 -35.914 -16.880 1.00 35.25 N ATOM 1220 CA ILE A 79 -14.177 -36.474 -18.148 1.00 51.22 C ATOM 1221 C ILE A 79 -15.545 -35.899 -18.524 1.00 13.33 C ATOM 1222 O ILE A 79 -16.582 -36.283 -17.974 1.00 3.23 O ATOM 1223 CB ILE A 79 -14.211 -38.028 -18.110 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -14.651 -38.592 -19.473 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -15.111 -38.540 -16.984 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -14.597 -40.105 -19.554 1.00 50.20 C ATOM 0 H ILE A 79 -13.880 -36.519 -16.073 1.00 35.25 H new ATOM 0 HA ILE A 79 -13.458 -36.191 -18.916 1.00 51.22 H new ATOM 0 HB ILE A 79 -13.201 -38.382 -17.904 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -15.669 -38.262 -19.681 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -14.015 -38.173 -20.252 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -15.112 -39.630 -16.986 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -14.736 -38.179 -16.026 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -16.127 -38.176 -17.136 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -14.921 -40.428 -20.543 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -13.576 -40.443 -19.378 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -15.256 -40.534 -18.799 1.00 50.20 H new ATOM 1238 N ASN A 80 -15.543 -34.945 -19.449 1.00 52.33 N ATOM 1239 CA ASN A 80 -16.764 -34.238 -19.811 1.00 2.04 C ATOM 1240 C ASN A 80 -17.556 -35.009 -20.862 1.00 60.11 C ATOM 1241 O ASN A 80 -17.537 -34.674 -22.048 1.00 23.20 O ATOM 1242 CB ASN A 80 -16.458 -32.815 -20.303 1.00 23.44 C ATOM 1243 CG ASN A 80 -17.716 -32.000 -20.582 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -18.747 -32.190 -19.766 1.00 32.04 O flip ATOM 1245 ND2 ASN A 80 -17.751 -31.185 -21.506 1.00 24.31 N flip ATOM 0 H ASN A 80 -14.712 -34.645 -19.959 1.00 52.33 H new ATOM 0 HA ASN A 80 -17.376 -34.162 -18.912 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -15.856 -32.299 -19.555 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -15.859 -32.871 -21.212 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -16.939 -31.066 -22.112 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -18.591 -30.629 -21.664 1.00 24.31 H new ATOM 1252 N ILE A 81 -18.216 -36.072 -20.417 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.165 -36.809 -21.249 1.00 54.13 C ATOM 1254 C ILE A 81 -20.515 -36.858 -20.539 1.00 65.23 C ATOM 1255 O ILE A 81 -21.344 -37.729 -20.794 1.00 21.40 O ATOM 1256 CB ILE A 81 -18.670 -38.246 -21.566 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -18.409 -39.036 -20.273 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -17.415 -38.195 -22.435 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -17.943 -40.459 -20.510 1.00 64.23 C ATOM 0 H ILE A 81 -18.111 -36.447 -19.474 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.261 -36.289 -22.202 1.00 54.13 H new ATOM 0 HB ILE A 81 -19.453 -38.764 -22.120 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -17.658 -38.511 -19.683 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -19.323 -39.057 -19.680 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -17.079 -39.210 -22.649 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -17.641 -37.682 -23.370 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -16.628 -37.657 -21.907 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -17.780 -40.953 -19.552 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -18.702 -41.002 -21.073 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -17.011 -40.447 -21.076 1.00 64.23 H new ATOM 1271 N GLU A 82 -20.719 -35.869 -19.667 1.00 34.03 N ATOM 1272 CA GLU A 82 -21.929 -35.741 -18.848 1.00 12.21 C ATOM 1273 C GLU A 82 -23.190 -35.661 -19.715 1.00 64.13 C ATOM 1274 O GLU A 82 -24.294 -35.947 -19.251 1.00 42.22 O ATOM 1275 CB GLU A 82 -21.780 -34.496 -17.946 1.00 14.33 C ATOM 1276 CG GLU A 82 -22.995 -34.163 -17.075 1.00 12.32 C ATOM 1277 CD GLU A 82 -23.950 -33.173 -17.735 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -25.153 -33.475 -17.852 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -23.491 -32.085 -18.138 1.00 51.21 O1- ATOM 0 H GLU A 82 -20.041 -35.124 -19.507 1.00 34.03 H new ATOM 0 HA GLU A 82 -22.042 -36.629 -18.226 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -20.918 -34.641 -17.295 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -21.561 -33.635 -18.578 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -23.534 -35.082 -16.847 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -22.652 -33.751 -16.126 1.00 12.32 H new ATOM 1286 N ASP A 83 -23.004 -35.333 -20.991 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.113 -35.201 -21.935 1.00 11.04 C ATOM 1288 C ASP A 83 -24.702 -36.579 -22.232 1.00 33.50 C ATOM 1289 O ASP A 83 -25.867 -36.709 -22.619 1.00 21.21 O ATOM 1290 CB ASP A 83 -23.612 -34.533 -23.227 1.00 23.45 C ATOM 1291 CG ASP A 83 -24.669 -34.454 -24.321 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -25.470 -33.494 -24.327 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -24.691 -35.340 -25.200 1.00 25.20 O1- ATOM 0 H ASP A 83 -22.087 -35.152 -21.399 1.00 63.52 H new ATOM 0 HA ASP A 83 -24.894 -34.577 -21.500 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -23.265 -33.526 -22.995 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -22.752 -35.087 -23.603 1.00 23.45 H new ATOM 1298 N ASN A 84 -23.889 -37.612 -22.027 1.00 32.21 N ATOM 1299 CA ASN A 84 -24.352 -38.996 -22.094 1.00 13.34 C ATOM 1300 C ASN A 84 -24.667 -39.471 -20.677 1.00 61.05 C ATOM 1301 O ASN A 84 -23.775 -39.894 -19.938 1.00 23.22 O ATOM 1302 CB ASN A 84 -23.289 -39.899 -22.747 1.00 61.11 C ATOM 1303 CG ASN A 84 -23.775 -41.327 -22.978 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -24.630 -41.839 -22.253 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -23.226 -41.979 -23.991 1.00 3.45 N ATOM 0 H ASN A 84 -22.897 -37.515 -21.811 1.00 32.21 H new ATOM 0 HA ASN A 84 -25.250 -39.052 -22.710 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -22.989 -39.465 -23.701 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -22.402 -39.922 -22.114 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -23.508 -42.938 -24.193 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -22.521 -41.522 -24.569 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.938 -39.371 -20.292 1.00 14.34 N ATOM 1313 CA GLN A 85 -26.350 -39.639 -18.917 1.00 73.43 C ATOM 1314 C GLN A 85 -26.114 -41.097 -18.532 1.00 30.44 C ATOM 1315 O GLN A 85 -25.754 -41.394 -17.389 1.00 11.40 O ATOM 1316 CB GLN A 85 -27.829 -39.289 -18.717 1.00 62.01 C ATOM 1317 CG GLN A 85 -28.278 -39.370 -17.262 1.00 14.43 C ATOM 1318 CD GLN A 85 -29.764 -39.129 -17.087 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -30.204 -37.990 -16.936 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -30.547 -40.199 -17.093 1.00 22.33 N ATOM 0 H GLN A 85 -26.701 -39.106 -20.915 1.00 14.34 H new ATOM 0 HA GLN A 85 -25.739 -39.010 -18.270 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -28.010 -38.281 -19.090 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -28.439 -39.965 -19.316 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -28.025 -40.353 -16.864 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -27.725 -38.636 -16.675 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -30.142 -41.126 -17.221 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -31.554 -40.095 -16.969 1.00 22.33 H new ATOM 1329 N ASP A 86 -26.312 -42.003 -19.488 1.00 11.41 N ATOM 1330 CA ASP A 86 -26.215 -43.438 -19.216 1.00 44.11 C ATOM 1331 C ASP A 86 -24.857 -43.799 -18.632 1.00 63.32 C ATOM 1332 O ASP A 86 -24.758 -44.697 -17.800 1.00 33.14 O ATOM 1333 CB ASP A 86 -26.489 -44.270 -20.474 1.00 54.34 C ATOM 1334 CG ASP A 86 -27.972 -44.368 -20.787 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -28.705 -45.013 -20.005 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -28.413 -43.813 -21.815 1.00 5.23 O1- ATOM 0 H ASP A 86 -26.540 -41.771 -20.455 1.00 11.41 H new ATOM 0 HA ASP A 86 -26.982 -43.675 -18.479 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -25.969 -43.824 -21.322 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -26.081 -45.272 -20.341 1.00 54.34 H new ATOM 1341 N VAL A 87 -23.820 -43.078 -19.052 1.00 53.31 N ATOM 1342 CA VAL A 87 -22.472 -43.282 -18.520 1.00 43.31 C ATOM 1343 C VAL A 87 -22.481 -43.207 -16.993 1.00 71.01 C ATOM 1344 O VAL A 87 -21.804 -43.986 -16.322 1.00 44.23 O ATOM 1345 CB VAL A 87 -21.476 -42.237 -19.087 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -20.107 -42.361 -18.420 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -21.356 -42.381 -20.602 1.00 22.14 C ATOM 0 H VAL A 87 -23.886 -42.346 -19.760 1.00 53.31 H new ATOM 0 HA VAL A 87 -22.144 -44.274 -18.830 1.00 43.31 H new ATOM 0 HB VAL A 87 -21.865 -41.243 -18.864 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -19.430 -41.616 -18.838 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -20.209 -42.198 -17.347 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -19.704 -43.358 -18.599 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -20.653 -41.640 -20.983 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -20.997 -43.381 -20.845 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -22.332 -42.225 -21.061 1.00 22.14 H new ATOM 1357 N ALA A 88 -23.278 -42.289 -16.448 1.00 74.24 N ATOM 1358 CA ALA A 88 -23.410 -42.156 -15.001 1.00 11.24 C ATOM 1359 C ALA A 88 -24.021 -43.427 -14.418 1.00 40.14 C ATOM 1360 O ALA A 88 -23.496 -44.009 -13.466 1.00 31.23 O ATOM 1361 CB ALA A 88 -24.259 -40.937 -14.649 1.00 44.41 C ATOM 0 H ALA A 88 -23.840 -41.629 -16.986 1.00 74.24 H new ATOM 0 HA ALA A 88 -22.420 -42.012 -14.568 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -24.346 -40.855 -13.566 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -23.786 -40.038 -15.044 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -25.252 -41.047 -15.085 1.00 44.41 H new ATOM 1367 N THR A 89 -25.116 -43.870 -15.032 1.00 43.13 N ATOM 1368 CA THR A 89 -25.814 -45.076 -14.606 1.00 3.03 C ATOM 1369 C THR A 89 -24.885 -46.293 -14.674 1.00 72.34 C ATOM 1370 O THR A 89 -24.932 -47.173 -13.813 1.00 54.24 O ATOM 1371 CB THR A 89 -27.059 -45.326 -15.489 1.00 23.32 C ATOM 1372 OG1 THR A 89 -27.837 -44.122 -15.582 1.00 72.42 O ATOM 1373 CG2 THR A 89 -27.926 -46.449 -14.928 1.00 3.52 C ATOM 0 H THR A 89 -25.541 -43.405 -15.834 1.00 43.13 H new ATOM 0 HA THR A 89 -26.133 -44.930 -13.574 1.00 3.03 H new ATOM 0 HB THR A 89 -26.714 -45.625 -16.479 1.00 23.32 H new ATOM 0 HG1 THR A 89 -28.624 -44.284 -16.143 1.00 72.42 H new ATOM 0 HG21 THR A 89 -28.792 -46.597 -15.573 1.00 3.52 H new ATOM 0 HG22 THR A 89 -27.345 -47.370 -14.883 1.00 3.52 H new ATOM 0 HG23 THR A 89 -28.262 -46.183 -13.926 1.00 3.52 H new ATOM 1381 N GLN A 90 -24.030 -46.318 -15.693 1.00 45.13 N ATOM 1382 CA GLN A 90 -23.106 -47.429 -15.908 1.00 11.14 C ATOM 1383 C GLN A 90 -21.995 -47.415 -14.852 1.00 24.42 C ATOM 1384 O GLN A 90 -21.749 -48.418 -14.179 1.00 33.43 O ATOM 1385 CB GLN A 90 -22.503 -47.351 -17.326 1.00 21.33 C ATOM 1386 CG GLN A 90 -23.535 -47.362 -18.459 1.00 23.40 C ATOM 1387 CD GLN A 90 -24.369 -48.636 -18.535 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -24.625 -49.304 -17.532 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -24.818 -48.976 -19.734 1.00 52.44 N ATOM 0 H GLN A 90 -23.958 -45.575 -16.388 1.00 45.13 H new ATOM 0 HA GLN A 90 -23.657 -48.365 -15.813 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -21.907 -46.442 -17.404 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -21.822 -48.191 -17.464 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -24.204 -46.511 -18.334 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -23.017 -47.223 -19.408 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -24.589 -48.402 -20.546 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -25.393 -49.811 -19.845 1.00 52.44 H new ATOM 1398 N TYR A 91 -21.351 -46.261 -14.691 1.00 23.00 N ATOM 1399 CA TYR A 91 -20.234 -46.111 -13.753 1.00 63.04 C ATOM 1400 C TYR A 91 -20.720 -46.079 -12.299 1.00 53.41 C ATOM 1401 O TYR A 91 -19.916 -46.185 -11.370 1.00 53.15 O ATOM 1402 CB TYR A 91 -19.430 -44.842 -14.079 1.00 50.03 C ATOM 1403 CG TYR A 91 -18.559 -44.964 -15.325 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -17.181 -44.787 -15.253 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -19.111 -45.258 -16.568 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -16.384 -44.900 -16.378 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -18.320 -45.373 -17.697 1.00 43.30 C ATOM 1408 CZ TYR A 91 -16.956 -45.191 -17.596 1.00 51.11 C ATOM 1409 OH TYR A 91 -16.162 -45.307 -18.715 1.00 21.33 O ATOM 0 H TYR A 91 -21.584 -45.409 -15.201 1.00 23.00 H new ATOM 0 HA TYR A 91 -19.585 -46.980 -13.866 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -20.121 -44.010 -14.211 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -18.796 -44.597 -13.227 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -16.725 -44.557 -14.301 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -20.178 -45.399 -16.653 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -15.316 -44.760 -16.301 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -18.768 -45.604 -18.652 1.00 43.30 H new ATOM 0 HH TYR A 91 -16.721 -45.516 -19.492 1.00 21.33 H new ATOM 1419 N GLY A 92 -22.025 -45.912 -12.112 1.00 22.12 N ATOM 1420 CA GLY A 92 -22.607 -46.000 -10.780 1.00 65.55 C ATOM 1421 C GLY A 92 -22.658 -44.662 -10.073 1.00 41.00 C ATOM 1422 O GLY A 92 -22.747 -44.601 -8.845 1.00 12.12 O ATOM 0 H GLY A 92 -22.693 -45.717 -12.858 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -23.616 -46.405 -10.855 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -22.026 -46.701 -10.180 1.00 65.55 H new ATOM 1426 N VAL A 93 -22.608 -43.587 -10.848 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.679 -42.240 -10.295 1.00 13.34 C ATOM 1428 C VAL A 93 -24.085 -41.960 -9.771 1.00 30.02 C ATOM 1429 O VAL A 93 -25.053 -41.970 -10.534 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.303 -41.170 -11.347 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.391 -39.772 -10.739 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -20.907 -41.436 -11.913 1.00 13.21 C ATOM 0 H VAL A 93 -22.518 -43.621 -11.863 1.00 13.51 H new ATOM 0 HA VAL A 93 -21.960 -42.184 -9.477 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.015 -41.228 -12.171 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -22.123 -39.030 -11.492 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -23.409 -39.589 -10.394 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.704 -39.698 -9.896 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -20.662 -40.672 -12.651 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.176 -41.408 -11.105 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -20.887 -42.418 -12.387 1.00 13.21 H new ATOM 1442 N SER A 94 -24.196 -41.726 -8.467 1.00 15.51 N ATOM 1443 CA SER A 94 -25.491 -41.482 -7.840 1.00 63.12 C ATOM 1444 C SER A 94 -25.410 -40.319 -6.851 1.00 52.01 C ATOM 1445 O SER A 94 -26.366 -40.043 -6.121 1.00 33.01 O ATOM 1446 CB SER A 94 -25.965 -42.760 -7.138 1.00 45.35 C ATOM 1447 OG SER A 94 -27.261 -42.603 -6.578 1.00 22.42 O ATOM 0 H SER A 94 -23.405 -41.700 -7.824 1.00 15.51 H new ATOM 0 HA SER A 94 -26.212 -41.208 -8.611 1.00 63.12 H new ATOM 0 HB2 SER A 94 -25.974 -43.585 -7.851 1.00 45.35 H new ATOM 0 HB3 SER A 94 -25.259 -43.026 -6.352 1.00 45.35 H new ATOM 0 HG SER A 94 -27.394 -41.667 -6.318 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.274 -39.629 -6.839 1.00 12.01 N ATOM 1454 CA ALA A 95 -24.084 -38.475 -5.965 1.00 52.44 C ATOM 1455 C ALA A 95 -23.182 -37.457 -6.645 1.00 22.24 C ATOM 1456 O ALA A 95 -22.499 -37.777 -7.622 1.00 22.21 O ATOM 1457 CB ALA A 95 -23.509 -38.898 -4.617 1.00 0.24 C ATOM 0 H ALA A 95 -23.469 -39.849 -7.426 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.054 -38.015 -5.778 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -23.377 -38.019 -3.986 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -24.193 -39.594 -4.132 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -22.545 -39.383 -4.769 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.179 -36.234 -6.131 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.432 -35.146 -6.745 1.00 41.53 C ATOM 1465 C ILE A 96 -21.425 -34.536 -5.757 1.00 24.21 C ATOM 1466 O ILE A 96 -21.796 -34.109 -4.665 1.00 22.54 O ATOM 1467 CB ILE A 96 -23.399 -34.061 -7.320 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -24.502 -33.663 -6.307 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -24.039 -34.566 -8.616 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -24.128 -32.532 -5.373 1.00 75.51 C ATOM 0 H ILE A 96 -23.688 -35.971 -5.287 1.00 40.13 H new ATOM 0 HA ILE A 96 -21.862 -35.557 -7.578 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.805 -33.170 -7.523 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -25.397 -33.378 -6.860 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -24.760 -34.538 -5.710 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -24.712 -33.804 -9.011 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -23.260 -34.777 -9.349 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -24.602 -35.477 -8.413 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -24.961 -32.324 -4.701 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -23.253 -32.817 -4.789 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -23.900 -31.639 -5.956 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.119 -34.533 -6.104 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.598 -35.149 -7.330 1.00 50.44 C ATOM 1484 C PRO A 97 -19.274 -36.635 -7.134 1.00 2.04 C ATOM 1485 O PRO A 97 -19.675 -37.243 -6.137 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.323 -34.340 -7.578 1.00 4.13 C ATOM 1487 CG PRO A 97 -17.817 -34.019 -6.209 1.00 64.14 C ATOM 1488 CD PRO A 97 -19.033 -33.915 -5.312 1.00 35.15 C ATOM 0 HA PRO A 97 -20.309 -35.128 -8.156 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.592 -34.914 -8.148 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -18.531 -33.434 -8.148 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -17.139 -34.796 -5.854 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -17.257 -33.084 -6.212 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -18.879 -34.440 -4.369 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -19.260 -32.878 -5.066 1.00 35.15 H new ATOM 1496 N THR A 98 -18.552 -37.215 -8.085 1.00 51.24 N ATOM 1497 CA THR A 98 -18.135 -38.609 -8.002 1.00 74.00 C ATOM 1498 C THR A 98 -16.695 -38.758 -8.485 1.00 5.01 C ATOM 1499 O THR A 98 -16.379 -38.433 -9.631 1.00 43.51 O ATOM 1500 CB THR A 98 -19.068 -39.526 -8.824 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.399 -39.476 -8.288 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.571 -40.969 -8.817 1.00 73.42 C ATOM 0 H THR A 98 -18.241 -36.736 -8.930 1.00 51.24 H new ATOM 0 HA THR A 98 -18.197 -38.915 -6.958 1.00 74.00 H new ATOM 0 HB THR A 98 -19.071 -39.167 -9.853 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.731 -38.555 -8.323 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.248 -41.590 -9.404 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.572 -41.012 -9.251 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.538 -41.337 -7.792 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.833 -39.251 -7.598 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.402 -39.352 -7.865 1.00 62.41 C ATOM 1512 C ILE A 99 -13.978 -40.814 -8.020 1.00 30.42 C ATOM 1513 O ILE A 99 -14.099 -41.609 -7.083 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.586 -38.713 -6.713 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.944 -37.224 -6.549 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -12.084 -38.890 -6.944 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.610 -36.371 -7.758 1.00 13.43 C ATOM 0 H ILE A 99 -16.107 -39.591 -6.676 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.203 -38.818 -8.794 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.847 -39.228 -5.788 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -15.010 -37.138 -6.341 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.417 -36.828 -5.681 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.533 -38.433 -6.122 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.846 -39.953 -6.994 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.801 -38.411 -7.881 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -13.892 -35.337 -7.563 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.539 -36.424 -7.956 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -14.158 -36.739 -8.625 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.489 -41.165 -9.202 1.00 43.14 N ATOM 1530 CA LEU A 100 -12.967 -42.507 -9.455 1.00 54.31 C ATOM 1531 C LEU A 100 -11.442 -42.483 -9.386 1.00 72.51 C ATOM 1532 O LEU A 100 -10.802 -41.724 -10.110 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.416 -43.021 -10.835 1.00 62.44 C ATOM 1534 CG LEU A 100 -14.935 -43.218 -11.027 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.669 -41.880 -11.111 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.212 -44.063 -12.266 1.00 53.13 C ATOM 0 H LEU A 100 -13.442 -40.538 -10.005 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.360 -43.181 -8.694 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -13.063 -42.322 -11.593 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -12.920 -43.973 -11.024 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.314 -43.747 -10.152 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.736 -42.058 -11.246 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -15.509 -41.319 -10.191 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -15.287 -41.308 -11.956 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.288 -44.192 -12.386 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -14.806 -43.563 -13.146 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -14.740 -45.039 -12.154 1.00 53.13 H new ATOM 1548 N MET A 101 -10.862 -43.306 -8.520 1.00 11.43 N ATOM 1549 CA MET A 101 -9.408 -43.364 -8.368 1.00 4.10 C ATOM 1550 C MET A 101 -8.808 -44.357 -9.360 1.00 43.12 C ATOM 1551 O MET A 101 -9.442 -45.352 -9.715 1.00 65.12 O ATOM 1552 CB MET A 101 -9.036 -43.774 -6.932 1.00 31.24 C ATOM 1553 CG MET A 101 -9.516 -42.806 -5.857 1.00 63.31 C ATOM 1554 SD MET A 101 -8.377 -41.448 -5.555 1.00 12.02 S ATOM 1555 CE MET A 101 -9.227 -40.637 -4.206 1.00 54.53 C ATOM 0 H MET A 101 -11.374 -43.944 -7.911 1.00 11.43 H new ATOM 0 HA MET A 101 -9.002 -42.373 -8.571 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.454 -44.760 -6.729 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.952 -43.867 -6.863 1.00 31.24 H new ATOM 0 HG2 MET A 101 -10.484 -42.400 -6.151 1.00 63.31 H new ATOM 0 HG3 MET A 101 -9.670 -43.354 -4.928 1.00 63.31 H new ATOM 0 HE1 MET A 101 -9.704 -39.728 -4.571 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.985 -41.306 -3.799 1.00 54.53 H new ATOM 0 HE3 MET A 101 -8.510 -40.382 -3.425 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.592 -44.071 -9.805 1.00 13.11 N ATOM 1566 CA PHE A 102 -6.818 -44.975 -10.652 1.00 71.35 C ATOM 1567 C PHE A 102 -5.340 -44.841 -10.299 1.00 34.00 C ATOM 1568 O PHE A 102 -4.937 -43.859 -9.674 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.034 -44.665 -12.144 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.426 -44.971 -12.647 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.386 -43.970 -12.743 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -8.773 -46.261 -13.029 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -10.659 -44.252 -13.206 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.044 -46.545 -13.491 1.00 73.14 C ATOM 1575 CZ PHE A 102 -10.987 -45.540 -13.580 1.00 3.41 C ATOM 0 H PHE A 102 -7.109 -43.199 -9.588 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.154 -45.997 -10.474 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -6.821 -43.610 -12.319 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.315 -45.237 -12.730 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.135 -42.960 -12.453 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.040 -47.052 -12.964 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.396 -43.465 -13.275 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.300 -47.553 -13.782 1.00 73.14 H new ATOM 0 HZ PHE A 102 -11.980 -45.761 -13.942 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.536 -45.830 -10.669 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.094 -45.756 -10.449 1.00 2.12 C ATOM 1587 C LYS A 103 -2.341 -46.509 -11.534 1.00 22.12 C ATOM 1588 O LYS A 103 -2.386 -47.740 -11.591 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.718 -46.308 -9.064 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.210 -46.360 -8.817 1.00 43.03 C ATOM 1591 CD LYS A 103 -0.870 -46.882 -7.422 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.212 -45.871 -6.333 1.00 53.33 C ATOM 1593 NZ LYS A 103 -0.337 -44.669 -6.391 1.00 71.52 N1+ ATOM 0 H LYS A 103 -4.853 -46.688 -11.120 1.00 14.01 H new ATOM 0 HA LYS A 103 -2.807 -44.705 -10.491 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.183 -45.689 -8.297 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -3.130 -47.311 -8.957 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.743 -47.000 -9.566 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -0.789 -45.363 -8.942 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -1.414 -47.809 -7.240 1.00 41.12 H new ATOM 0 HD3 LYS A 103 0.192 -47.121 -7.374 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -2.253 -45.566 -6.436 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -1.113 -46.344 -5.356 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -0.647 -43.979 -5.677 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 0.647 -44.946 -6.200 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 -0.398 -44.240 -7.337 1.00 71.52 H new ATOM 1607 N ASN A 104 -1.661 -45.755 -12.396 1.00 41.43 N ATOM 1608 CA ASN A 104 -0.834 -46.324 -13.463 1.00 72.22 C ATOM 1609 C ASN A 104 -1.689 -47.185 -14.398 1.00 0.14 C ATOM 1610 O ASN A 104 -1.218 -48.168 -14.969 1.00 72.20 O ATOM 1611 CB ASN A 104 0.319 -47.149 -12.851 1.00 20.21 C ATOM 1612 CG ASN A 104 1.558 -47.231 -13.736 1.00 24.30 C ATOM 1613 OD1 ASN A 104 2.682 -47.231 -13.231 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.381 -47.327 -15.045 1.00 31.24 N ATOM 0 H ASN A 104 -1.666 -44.735 -12.376 1.00 41.43 H new ATOM 0 HA ASN A 104 -0.404 -45.514 -14.052 1.00 72.22 H new ATOM 0 HB2 ASN A 104 0.597 -46.711 -11.893 1.00 20.21 H new ATOM 0 HB3 ASN A 104 -0.038 -48.159 -12.648 1.00 20.21 H new ATOM 0 HD21 ASN A 104 2.188 -47.404 -15.664 1.00 31.24 H new ATOM 0 HD22 ASN A 104 0.438 -47.324 -15.434 1.00 31.24 H new ATOM 1621 N GLY A 105 -2.952 -46.797 -14.553 1.00 32.31 N ATOM 1622 CA GLY A 105 -3.870 -47.532 -15.408 1.00 42.31 C ATOM 1623 C GLY A 105 -4.569 -48.659 -14.672 1.00 34.43 C ATOM 1624 O GLY A 105 -5.561 -49.207 -15.156 1.00 43.11 O ATOM 0 H GLY A 105 -3.359 -45.980 -14.098 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -4.616 -46.846 -15.810 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -3.323 -47.941 -16.257 1.00 42.31 H new ATOM 1628 N LYS A 106 -4.051 -49.004 -13.496 1.00 12.22 N ATOM 1629 CA LYS A 106 -4.621 -50.072 -12.680 1.00 63.04 C ATOM 1630 C LYS A 106 -5.815 -49.548 -11.878 1.00 35.11 C ATOM 1631 O LYS A 106 -5.783 -48.421 -11.367 1.00 44.30 O ATOM 1632 CB LYS A 106 -3.548 -50.659 -11.747 1.00 13.01 C ATOM 1633 CG LYS A 106 -4.037 -51.824 -10.892 1.00 24.15 C ATOM 1634 CD LYS A 106 -2.904 -52.494 -10.107 1.00 53.23 C ATOM 1635 CE LYS A 106 -2.291 -51.581 -9.043 1.00 13.04 C ATOM 1636 NZ LYS A 106 -1.411 -50.528 -9.625 1.00 41.10 N1+ ATOM 0 H LYS A 106 -3.232 -48.556 -13.085 1.00 12.22 H new ATOM 0 HA LYS A 106 -4.975 -50.867 -13.336 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -2.702 -50.993 -12.348 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.181 -49.870 -11.091 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -4.795 -51.466 -10.195 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -4.517 -52.564 -11.533 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -3.285 -53.396 -9.628 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -2.125 -52.807 -10.801 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -3.090 -51.107 -8.473 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -1.714 -52.184 -8.342 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -0.525 -50.477 -9.083 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -1.198 -50.762 -10.616 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -1.895 -49.609 -9.583 1.00 41.10 H new ATOM 1650 N LYS A 107 -6.862 -50.370 -11.791 1.00 44.23 N ATOM 1651 CA LYS A 107 -8.109 -50.000 -11.121 1.00 71.41 C ATOM 1652 C LYS A 107 -7.871 -49.638 -9.650 1.00 52.45 C ATOM 1653 O LYS A 107 -6.982 -50.187 -8.997 1.00 11.33 O ATOM 1654 CB LYS A 107 -9.125 -51.149 -11.235 1.00 63.10 C ATOM 1655 CG LYS A 107 -10.536 -50.797 -10.760 1.00 42.24 C ATOM 1656 CD LYS A 107 -11.152 -49.654 -11.570 1.00 71.43 C ATOM 1657 CE LYS A 107 -11.270 -49.990 -13.056 1.00 14.53 C ATOM 1658 NZ LYS A 107 -12.116 -51.188 -13.297 1.00 70.01 N1+ ATOM 0 H LYS A 107 -6.869 -51.311 -12.183 1.00 44.23 H new ATOM 0 HA LYS A 107 -8.511 -49.116 -11.616 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -9.175 -51.471 -12.275 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -8.761 -51.998 -10.656 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -11.173 -51.678 -10.836 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -10.503 -50.517 -9.707 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -12.140 -49.423 -11.173 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -10.543 -48.758 -11.450 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -11.692 -49.137 -13.587 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -10.275 -50.161 -13.468 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -12.279 -51.298 -14.318 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -11.634 -52.033 -12.930 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -13.028 -51.072 -12.812 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.710 -48.737 -9.147 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.549 -48.108 -7.839 1.00 60.42 C ATOM 1674 C LEU A 108 -9.927 -47.665 -7.329 1.00 41.03 C ATOM 1675 O LEU A 108 -10.902 -47.682 -8.081 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.555 -46.929 -7.891 1.00 52.31 C ATOM 1677 CG LEU A 108 -6.331 -47.024 -6.953 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -6.760 -47.218 -5.499 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.393 -48.144 -7.395 1.00 11.12 C ATOM 0 H LEU A 108 -9.539 -48.417 -9.648 1.00 60.01 H new ATOM 0 HA LEU A 108 -8.125 -48.832 -7.144 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -7.195 -46.830 -8.915 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -8.097 -46.014 -7.654 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.790 -46.080 -7.018 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -5.876 -47.281 -4.864 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -7.373 -46.373 -5.185 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -7.337 -48.138 -5.410 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.539 -48.191 -6.719 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.926 -49.095 -7.373 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -5.043 -47.947 -8.408 1.00 11.12 H new ATOM 1691 N SER A 109 -10.005 -47.298 -6.058 1.00 60.43 N ATOM 1692 CA SER A 109 -11.276 -47.130 -5.356 1.00 11.20 C ATOM 1693 C SER A 109 -12.065 -45.905 -5.836 1.00 20.34 C ATOM 1694 O SER A 109 -11.502 -44.901 -6.241 1.00 72.41 O ATOM 1695 CB SER A 109 -10.969 -46.951 -3.863 1.00 32.42 C ATOM 1696 OG SER A 109 -10.854 -48.197 -3.196 1.00 42.25 O ATOM 0 H SER A 109 -9.187 -47.107 -5.479 1.00 60.43 H new ATOM 0 HA SER A 109 -11.887 -48.011 -5.554 1.00 11.20 H new ATOM 0 HB2 SER A 109 -10.042 -46.390 -3.747 1.00 32.42 H new ATOM 0 HB3 SER A 109 -11.759 -46.361 -3.398 1.00 32.42 H new ATOM 0 HG SER A 109 -10.657 -48.044 -2.248 1.00 42.25 H new ATOM 1702 N GLN A 110 -13.388 -46.014 -5.788 1.00 61.23 N ATOM 1703 CA GLN A 110 -14.279 -44.941 -6.218 1.00 74.54 C ATOM 1704 C GLN A 110 -14.989 -44.328 -5.010 1.00 60.21 C ATOM 1705 O GLN A 110 -15.719 -45.016 -4.295 1.00 10.33 O ATOM 1706 CB GLN A 110 -15.309 -45.495 -7.221 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.364 -44.487 -7.681 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.410 -45.113 -8.596 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -17.690 -46.307 -8.512 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -18.013 -44.310 -9.463 1.00 4.42 N ATOM 0 H GLN A 110 -13.873 -46.846 -5.451 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.693 -44.162 -6.705 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.778 -45.869 -8.096 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.815 -46.347 -6.767 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.858 -44.060 -6.809 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.874 -43.666 -8.204 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -17.757 -43.324 -9.508 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.732 -44.679 -10.085 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.758 -43.040 -4.778 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.446 -42.313 -3.716 1.00 60.35 C ATOM 1721 C VAL A 111 -16.570 -41.470 -4.319 1.00 22.32 C ATOM 1722 O VAL A 111 -16.334 -40.570 -5.128 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.483 -41.418 -2.881 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -13.537 -42.273 -2.037 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -13.684 -40.473 -3.771 1.00 44.03 C ATOM 0 H VAL A 111 -14.097 -42.476 -5.313 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.862 -43.050 -3.029 1.00 60.35 H new ATOM 0 HB VAL A 111 -15.099 -40.815 -2.214 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -12.875 -41.625 -1.463 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -14.118 -42.893 -1.355 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -12.943 -42.911 -2.691 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -13.023 -39.864 -3.154 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -13.090 -41.053 -4.477 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -14.367 -39.825 -4.319 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.798 -41.800 -3.947 1.00 51.33 N ATOM 1736 CA ILE A 112 -18.984 -41.167 -4.513 1.00 62.14 C ATOM 1737 C ILE A 112 -19.631 -40.231 -3.494 1.00 15.21 C ATOM 1738 O ILE A 112 -20.038 -40.662 -2.414 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.021 -42.232 -4.958 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.366 -43.273 -5.885 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.214 -41.574 -5.650 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.305 -44.374 -6.341 1.00 61.34 C ATOM 0 H ILE A 112 -18.002 -42.512 -3.246 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.668 -40.592 -5.383 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.384 -42.744 -4.067 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -18.968 -42.763 -6.762 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.519 -43.724 -5.367 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -21.927 -42.341 -5.953 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.697 -40.881 -4.961 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -20.870 -41.031 -6.530 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -19.767 -45.065 -6.990 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.684 -44.912 -5.472 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.139 -43.937 -6.889 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.726 -38.953 -3.843 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.344 -37.976 -2.964 1.00 14.45 C ATOM 1756 C GLY A 113 -19.362 -36.919 -2.501 1.00 3.03 C ATOM 1757 O GLY A 113 -18.145 -37.120 -2.564 1.00 60.32 O ATOM 0 H GLY A 113 -19.383 -38.573 -4.726 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.173 -37.496 -3.483 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.763 -38.485 -2.096 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.888 -35.792 -2.036 1.00 12.52 N ATOM 1762 CA ALA A 114 -19.064 -34.688 -1.574 1.00 24.52 C ATOM 1763 C ALA A 114 -18.612 -34.908 -0.133 1.00 0.33 C ATOM 1764 O ALA A 114 -19.246 -34.425 0.811 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.819 -33.367 -1.708 1.00 15.11 C ATOM 0 H ALA A 114 -20.891 -35.621 -1.970 1.00 12.52 H new ATOM 0 HA ALA A 114 -18.173 -34.642 -2.201 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -19.188 -32.550 -1.358 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -20.080 -33.201 -2.753 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.729 -33.405 -1.109 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.538 -35.671 0.030 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.919 -35.868 1.340 1.00 1.22 C ATOM 1773 C ASP A 115 -15.409 -35.702 1.215 1.00 22.24 C ATOM 1774 O ASP A 115 -14.686 -36.653 0.900 1.00 33.32 O ATOM 1775 CB ASP A 115 -17.261 -37.248 1.918 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.928 -37.347 3.401 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -15.729 -37.406 3.750 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -17.867 -37.363 4.225 1.00 30.13 O1- ATOM 0 H ASP A 115 -17.074 -36.167 -0.731 1.00 64.24 H new ATOM 0 HA ASP A 115 -17.313 -35.119 2.027 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -18.322 -37.449 1.771 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.712 -38.015 1.372 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.946 -34.479 1.441 1.00 10.14 N ATOM 1784 CA ILE A 116 -13.548 -34.123 1.227 1.00 23.23 C ATOM 1785 C ILE A 116 -12.620 -34.927 2.142 1.00 50.32 C ATOM 1786 O ILE A 116 -11.497 -35.256 1.759 1.00 24.53 O ATOM 1787 CB ILE A 116 -13.316 -32.603 1.439 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.858 -32.219 1.120 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -13.690 -32.186 2.860 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.474 -32.429 -0.332 1.00 62.15 C ATOM 0 H ILE A 116 -15.525 -33.709 1.776 1.00 10.14 H new ATOM 0 HA ILE A 116 -13.309 -34.370 0.192 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.965 -32.065 0.748 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.703 -31.172 1.379 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -11.191 -32.806 1.751 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -13.518 -31.117 2.982 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -14.742 -32.407 3.039 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -13.077 -32.736 3.574 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.434 -32.137 -0.479 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.596 -33.480 -0.592 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -12.116 -31.821 -0.970 1.00 62.15 H new ATOM 1802 N SER A 117 -13.099 -35.263 3.336 1.00 64.32 N ATOM 1803 CA SER A 117 -12.294 -36.001 4.300 1.00 24.52 C ATOM 1804 C SER A 117 -11.987 -37.401 3.765 1.00 72.20 C ATOM 1805 O SER A 117 -10.853 -37.883 3.850 1.00 63.13 O ATOM 1806 CB SER A 117 -13.021 -36.082 5.650 1.00 2.24 C ATOM 1807 OG SER A 117 -12.195 -36.664 6.648 1.00 54.32 O ATOM 0 H SER A 117 -14.040 -35.036 3.658 1.00 64.32 H new ATOM 0 HA SER A 117 -11.352 -35.474 4.451 1.00 24.52 H new ATOM 0 HB2 SER A 117 -13.323 -35.083 5.963 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.932 -36.671 5.540 1.00 2.24 H new ATOM 0 HG SER A 117 -12.684 -36.701 7.497 1.00 54.32 H new ATOM 1813 N LYS A 118 -13.002 -38.041 3.197 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.847 -39.363 2.604 1.00 23.25 C ATOM 1815 C LYS A 118 -11.978 -39.280 1.351 1.00 51.14 C ATOM 1816 O LYS A 118 -11.084 -40.105 1.154 1.00 44.54 O ATOM 1817 CB LYS A 118 -14.232 -39.974 2.300 1.00 55.14 C ATOM 1818 CG LYS A 118 -14.220 -41.240 1.436 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.223 -42.296 1.918 1.00 32.24 C ATOM 1820 CE LYS A 118 -13.459 -42.732 3.358 1.00 45.55 C ATOM 1821 NZ LYS A 118 -12.486 -43.778 3.771 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.947 -37.662 3.135 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.343 -40.020 3.313 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.723 -40.205 3.245 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.841 -39.220 1.801 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -15.220 -41.673 1.426 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.980 -40.967 0.408 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -13.284 -43.168 1.267 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -12.212 -41.900 1.826 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -13.373 -41.870 4.020 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -14.474 -43.115 3.463 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -12.244 -43.650 4.774 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -12.908 -44.718 3.634 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -11.625 -43.698 3.194 1.00 20.35 H new ATOM 1835 N ILE A 119 -12.218 -38.267 0.523 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.429 -38.075 -0.692 1.00 2.21 C ATOM 1837 C ILE A 119 -9.938 -37.947 -0.355 1.00 62.22 C ATOM 1838 O ILE A 119 -9.106 -38.668 -0.910 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.896 -36.829 -1.493 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.363 -37.000 -1.932 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.992 -36.589 -2.704 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.923 -35.815 -2.692 1.00 40.14 C ATOM 0 H ILE A 119 -12.948 -37.570 0.669 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.582 -38.955 -1.317 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.826 -35.955 -0.845 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.443 -37.889 -2.557 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.977 -37.175 -1.049 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.339 -35.711 -3.249 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.968 -36.426 -2.367 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -11.024 -37.459 -3.360 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.959 -36.015 -2.965 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.878 -34.926 -2.064 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.335 -35.651 -3.595 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.612 -37.054 0.582 1.00 71.14 N ATOM 1855 CA ILE A 120 -8.217 -36.812 0.962 1.00 1.52 C ATOM 1856 C ILE A 120 -7.641 -38.051 1.652 1.00 44.53 C ATOM 1857 O ILE A 120 -6.465 -38.391 1.468 1.00 2.32 O ATOM 1858 CB ILE A 120 -8.075 -35.541 1.866 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.606 -35.057 1.955 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.646 -35.780 3.263 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.720 -35.838 2.908 1.00 43.13 C ATOM 0 H ILE A 120 -10.291 -36.488 1.090 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.645 -36.620 0.054 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.658 -34.752 1.391 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -6.166 -35.100 0.959 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -6.604 -34.010 2.259 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -8.530 -34.877 3.863 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.704 -36.031 3.186 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -8.112 -36.602 3.739 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.714 -35.419 2.895 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -6.127 -35.775 3.917 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.682 -36.882 2.597 1.00 43.13 H new ATOM 1873 N SER A 121 -8.482 -38.736 2.424 1.00 33.33 N ATOM 1874 CA SER A 121 -8.094 -39.985 3.061 1.00 32.12 C ATOM 1875 C SER A 121 -7.562 -40.965 2.015 1.00 12.31 C ATOM 1876 O SER A 121 -6.456 -41.504 2.147 1.00 23.30 O ATOM 1877 CB SER A 121 -9.293 -40.593 3.804 1.00 43.12 C ATOM 1878 OG SER A 121 -8.978 -41.863 4.347 1.00 42.33 O ATOM 0 H SER A 121 -9.439 -38.443 2.622 1.00 33.33 H new ATOM 0 HA SER A 121 -7.303 -39.783 3.783 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.605 -39.922 4.604 1.00 43.12 H new ATOM 0 HB3 SER A 121 -10.136 -40.688 3.120 1.00 43.12 H new ATOM 0 HG SER A 121 -9.278 -42.565 3.732 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.336 -41.162 0.955 1.00 14.44 N ATOM 1885 CA GLU A 122 -7.965 -42.109 -0.082 1.00 72.13 C ATOM 1886 C GLU A 122 -6.783 -41.584 -0.898 1.00 73.04 C ATOM 1887 O GLU A 122 -5.959 -42.367 -1.364 1.00 20.21 O ATOM 1888 CB GLU A 122 -9.162 -42.422 -0.988 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.421 -42.836 -0.224 1.00 71.24 C ATOM 1890 CD GLU A 122 -10.154 -43.847 0.887 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.948 -45.040 0.581 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -10.164 -43.455 2.080 1.00 70.43 O1- ATOM 0 H GLU A 122 -9.220 -40.680 0.794 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.656 -43.037 0.399 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.387 -41.544 -1.593 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -8.886 -43.221 -1.676 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.883 -41.948 0.207 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -11.139 -43.260 -0.926 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.687 -40.259 -1.055 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.551 -39.665 -1.761 1.00 32.41 C ATOM 1901 C ILE A 123 -4.243 -40.063 -1.077 1.00 5.24 C ATOM 1902 O ILE A 123 -3.368 -40.681 -1.692 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.638 -38.110 -1.828 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.787 -37.660 -2.748 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.314 -37.513 -2.309 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -7.130 -36.190 -2.630 1.00 15.35 C ATOM 0 H ILE A 123 -7.372 -39.588 -0.708 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.578 -40.046 -2.782 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.840 -37.745 -0.821 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.518 -37.878 -3.782 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.675 -38.249 -2.519 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.398 -36.427 -2.348 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.517 -37.791 -1.619 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -4.082 -37.895 -3.303 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.948 -35.952 -3.309 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -7.432 -35.968 -1.606 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -6.257 -35.591 -2.889 1.00 15.35 H new ATOM 1918 N ASN A 124 -4.133 -39.765 0.217 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.903 -40.059 0.947 1.00 42.31 C ATOM 1920 C ASN A 124 -2.699 -41.569 1.027 1.00 20.40 C ATOM 1921 O ASN A 124 -1.574 -42.054 0.927 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.900 -39.428 2.354 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.722 -40.200 3.373 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.962 -39.791 3.577 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -3.232 -41.150 3.989 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.868 -39.328 0.773 1.00 61.24 H new ATOM 0 HA ASN A 124 -2.072 -39.613 0.400 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.872 -39.358 2.708 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -3.284 -38.410 2.287 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -2.271 -41.437 3.804 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.788 -41.649 4.683 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.804 -42.304 1.177 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.772 -43.769 1.195 1.00 72.20 C ATOM 1934 C ASN A 125 -3.177 -44.319 -0.101 1.00 71.23 C ATOM 1935 O ASN A 125 -2.392 -45.273 -0.089 1.00 34.51 O ATOM 1936 CB ASN A 125 -5.192 -44.324 1.378 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.246 -45.843 1.338 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -5.091 -46.511 2.362 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -5.473 -46.400 0.157 1.00 44.23 N ATOM 0 H ASN A 125 -4.737 -41.906 1.288 1.00 31.14 H new ATOM 0 HA ASN A 125 -3.145 -44.082 2.029 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.592 -43.977 2.331 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -5.837 -43.922 0.596 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -5.525 -47.415 0.073 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -5.596 -45.813 -0.668 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.562 -43.714 -1.218 1.00 24.21 N ATOM 1947 CA ASN A 126 -3.151 -44.190 -2.535 1.00 34.20 C ATOM 1948 C ASN A 126 -1.810 -43.588 -2.951 1.00 61.32 C ATOM 1949 O ASN A 126 -1.208 -44.029 -3.930 1.00 63.21 O ATOM 1950 CB ASN A 126 -4.237 -43.886 -3.580 1.00 71.20 C ATOM 1951 CG ASN A 126 -5.560 -44.574 -3.261 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -5.585 -45.653 -2.668 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -6.670 -43.957 -3.642 1.00 41.12 N ATOM 0 H ASN A 126 -4.161 -42.889 -1.239 1.00 24.21 H new ATOM 0 HA ASN A 126 -3.021 -45.271 -2.477 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -4.394 -42.809 -3.633 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -3.892 -44.207 -4.563 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -7.579 -44.375 -3.446 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -6.615 -43.064 -4.132 1.00 41.12 H new ATOM 1960 N ILE A 127 -1.356 -42.565 -2.230 1.00 24.11 N ATOM 1961 CA ILE A 127 0.010 -42.072 -2.397 1.00 45.52 C ATOM 1962 C ILE A 127 0.986 -42.957 -1.617 1.00 24.03 C ATOM 1963 O ILE A 127 2.009 -43.388 -2.151 1.00 24.55 O ATOM 1964 CB ILE A 127 0.166 -40.597 -1.933 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.684 -39.660 -2.805 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.635 -40.174 -1.968 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.619 -38.209 -2.377 1.00 54.51 C ATOM 0 H ILE A 127 -1.907 -42.066 -1.532 1.00 24.11 H new ATOM 0 HA ILE A 127 0.237 -42.111 -3.462 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.189 -40.525 -0.905 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.352 -39.740 -3.840 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -1.722 -39.992 -2.776 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.723 -39.138 -1.640 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.214 -40.816 -1.304 1.00 51.22 H new ATOM 0 HG23 ILE A 127 2.016 -40.266 -2.985 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.243 -37.607 -3.037 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.979 -38.115 -1.352 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.412 -37.859 -2.433 1.00 54.51 H new ATOM 1979 N ASN A 128 0.657 -43.230 -0.352 1.00 64.33 N ATOM 1980 CA ASN A 128 1.499 -44.041 0.510 1.00 71.43 C ATOM 1981 C ASN A 128 0.714 -44.524 1.739 1.00 23.15 C ATOM 1982 O ASN A 128 0.630 -45.755 1.947 1.00 65.33 O ATOM 1983 CB ASN A 128 2.764 -43.268 0.930 1.00 24.12 C ATOM 1984 CG ASN A 128 2.509 -42.016 1.764 1.00 23.51 C ATOM 1985 OD1 ASN A 128 1.390 -41.346 1.543 1.00 5.34 O flip ATOM 1986 ND2 ASN A 128 3.336 -41.643 2.598 1.00 22.35 N flip ATOM 1987 OXT ASN A 128 0.156 -43.679 2.473 1.00 0.00 O1- ATOM 0 H ASN A 128 -0.196 -42.894 0.095 1.00 64.33 H new ATOM 0 HA ASN A 128 1.816 -44.918 -0.054 1.00 71.43 H new ATOM 0 HB2 ASN A 128 3.409 -43.939 1.497 1.00 24.12 H new ATOM 0 HB3 ASN A 128 3.312 -42.982 0.032 1.00 24.12 H new ATOM 0 HD21 ASN A 128 4.190 -42.181 2.746 1.00 22.35 H new ATOM 0 HD22 ASN A 128 3.167 -40.796 3.141 1.00 22.35 H new