USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 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 78 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 SER OG : rot -91:sc= 1.29 USER MOD Set 2.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.856 (180deg=-1.88!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 42 ASN : amide:sc= -0.059 X(o=-0.059,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -105:sc= 0.374 (180deg=-0.193) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 1.19 (180deg=1.02) USER MOD Single : A 54 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.84) USER MOD Single : A 55 MET CE :methyl 175:sc= -0.613 (180deg=-0.689) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.77) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 68:sc= 1.18 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0349 F(o=-1.2!,f=-0.035) USER MOD Single : A 83 LYS NZ :NH3+ -170:sc= -0.713 (180deg=-0.938) USER MOD Single : A 84 SER OG : rot 27:sc= -0.547 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.179 USER MOD Single : A 88 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 348 N GLN A 25 -10.125 0.842 -33.956 1.00 0.44 N ATOM 349 CA GLN A 25 -11.080 -0.248 -34.021 1.00 0.43 C ATOM 350 C GLN A 25 -10.981 -1.163 -32.808 1.00 0.37 C ATOM 351 O GLN A 25 -10.031 -1.933 -32.670 1.00 0.49 O ATOM 352 CB GLN A 25 -10.844 -1.051 -35.290 1.00 0.48 C ATOM 353 CG GLN A 25 -12.028 -1.922 -35.683 1.00 0.64 C ATOM 354 CD GLN A 25 -11.877 -2.531 -37.063 1.00 0.76 C ATOM 355 OE1 GLN A 25 -11.364 -3.635 -37.220 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.327 -1.809 -38.077 1.00 1.34 N ATOM 0 HA GLN A 25 -12.081 0.183 -34.029 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -10.619 -0.366 -36.108 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.967 -1.683 -35.153 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -12.145 -2.720 -34.950 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -12.939 -1.324 -35.652 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -12.747 -0.896 -37.906 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -12.254 -2.166 -39.030 1.00 1.34 H new ATOM 365 N LYS A 26 -11.974 -1.071 -31.935 1.00 0.26 N ATOM 366 CA LYS A 26 -12.049 -1.947 -30.779 1.00 0.21 C ATOM 367 C LYS A 26 -13.230 -2.904 -30.918 1.00 0.24 C ATOM 368 O LYS A 26 -14.393 -2.491 -30.877 1.00 0.43 O ATOM 369 CB LYS A 26 -12.162 -1.134 -29.483 1.00 0.30 C ATOM 370 CG LYS A 26 -10.958 -0.232 -29.229 1.00 0.69 C ATOM 371 CD LYS A 26 -11.022 0.481 -27.880 1.00 1.08 C ATOM 372 CE LYS A 26 -12.176 1.475 -27.792 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.442 0.845 -27.326 1.00 2.11 N ATOM 0 H LYS A 26 -12.737 -0.398 -32.007 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.130 -2.531 -30.730 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.063 -0.522 -29.524 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.279 -1.818 -28.642 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.047 -0.829 -29.276 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.893 0.511 -30.024 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.125 -0.260 -27.087 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -10.082 1.005 -27.706 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -11.904 2.282 -27.111 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -12.338 1.925 -28.771 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -14.238 1.490 -27.507 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -13.595 -0.047 -27.839 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -13.379 0.651 -26.306 1.00 2.11 H new ATOM 387 N LYS A 27 -12.918 -4.179 -31.095 1.00 0.12 N ATOM 388 CA LYS A 27 -13.927 -5.216 -31.227 1.00 0.12 C ATOM 389 C LYS A 27 -14.330 -5.735 -29.855 1.00 0.13 C ATOM 390 O LYS A 27 -13.547 -5.669 -28.909 1.00 0.19 O ATOM 391 CB LYS A 27 -13.383 -6.370 -32.071 1.00 0.14 C ATOM 392 CG LYS A 27 -13.255 -6.055 -33.553 1.00 0.19 C ATOM 393 CD LYS A 27 -14.609 -5.833 -34.208 1.00 0.28 C ATOM 394 CE LYS A 27 -14.466 -5.589 -35.705 1.00 0.44 C ATOM 395 NZ LYS A 27 -15.784 -5.452 -36.377 1.00 1.27 N ATOM 0 H LYS A 27 -11.959 -4.522 -31.151 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.802 -4.791 -31.718 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.404 -6.656 -31.686 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.038 -7.233 -31.950 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.640 -5.165 -33.682 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.740 -6.874 -34.054 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.245 -6.702 -34.038 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.104 -4.980 -33.744 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.880 -4.685 -35.870 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.914 -6.414 -36.155 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -15.640 -5.287 -37.394 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -16.335 -6.324 -36.242 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -16.301 -4.649 -35.966 1.00 1.27 H new ATOM 409 N ARG A 28 -15.545 -6.247 -29.746 1.00 0.10 N ATOM 410 CA ARG A 28 -16.014 -6.825 -28.498 1.00 0.12 C ATOM 411 C ARG A 28 -16.505 -8.244 -28.720 1.00 0.09 C ATOM 412 O ARG A 28 -17.206 -8.525 -29.693 1.00 0.15 O ATOM 413 CB ARG A 28 -17.119 -5.974 -27.868 1.00 0.19 C ATOM 414 CG ARG A 28 -16.648 -4.579 -27.503 1.00 0.29 C ATOM 415 CD ARG A 28 -17.483 -3.974 -26.391 1.00 0.29 C ATOM 416 NE ARG A 28 -18.886 -3.823 -26.766 1.00 0.74 N ATOM 417 CZ ARG A 28 -19.820 -3.306 -25.967 1.00 1.15 C ATOM 418 NH1 ARG A 28 -19.493 -2.850 -24.760 1.00 1.40 N ATOM 419 NH2 ARG A 28 -21.079 -3.242 -26.376 1.00 1.65 N ATOM 0 H ARG A 28 -16.224 -6.274 -30.507 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.172 -6.847 -27.806 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.956 -5.900 -28.563 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.491 -6.473 -26.973 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.604 -4.618 -27.193 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.696 -3.938 -28.383 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.413 -4.604 -25.504 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -17.075 -3.000 -26.123 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.169 -4.132 -27.696 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -18.525 -2.895 -24.443 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -20.211 -2.455 -24.152 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -21.333 -3.588 -27.301 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -21.794 -2.847 -25.765 1.00 1.65 H new ATOM 433 N ALA A 29 -16.113 -9.131 -27.820 1.00 0.08 N ATOM 434 CA ALA A 29 -16.473 -10.537 -27.897 1.00 0.07 C ATOM 435 C ALA A 29 -16.319 -11.175 -26.525 1.00 0.06 C ATOM 436 O ALA A 29 -15.944 -10.505 -25.566 1.00 0.08 O ATOM 437 CB ALA A 29 -15.616 -11.266 -28.926 1.00 0.08 C ATOM 0 H ALA A 29 -15.535 -8.895 -27.013 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.512 -10.617 -28.217 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -15.906 -12.316 -28.963 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.762 -10.814 -29.907 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.566 -11.190 -28.644 1.00 0.08 H new ATOM 443 N THR A 30 -16.622 -12.450 -26.428 1.00 0.06 N ATOM 444 CA THR A 30 -16.517 -13.156 -25.167 1.00 0.06 C ATOM 445 C THR A 30 -15.289 -14.060 -25.176 1.00 0.06 C ATOM 446 O THR A 30 -14.900 -14.576 -26.229 1.00 0.08 O ATOM 447 CB THR A 30 -17.773 -14.005 -24.911 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.776 -13.699 -25.893 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.330 -13.745 -23.521 1.00 0.11 C ATOM 0 H THR A 30 -16.944 -13.022 -27.209 1.00 0.06 H new ATOM 0 HA THR A 30 -16.423 -12.418 -24.371 1.00 0.06 H new ATOM 0 HB THR A 30 -17.495 -15.056 -24.983 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.574 -14.244 -25.727 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.218 -14.357 -23.364 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.578 -13.999 -22.774 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.594 -12.692 -23.426 1.00 0.11 H new ATOM 457 N VAL A 31 -14.669 -14.234 -24.018 1.00 0.08 N ATOM 458 CA VAL A 31 -13.516 -15.116 -23.904 1.00 0.10 C ATOM 459 C VAL A 31 -13.942 -16.567 -24.073 1.00 0.11 C ATOM 460 O VAL A 31 -14.769 -17.078 -23.319 1.00 0.14 O ATOM 461 CB VAL A 31 -12.805 -14.952 -22.550 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.520 -15.757 -22.507 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.528 -13.489 -22.272 1.00 0.13 C ATOM 0 H VAL A 31 -14.943 -13.779 -23.147 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.818 -14.840 -24.695 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.466 -15.334 -21.772 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.038 -15.622 -21.538 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.747 -16.813 -22.656 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.850 -15.415 -23.296 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.025 -13.390 -21.310 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.891 -13.083 -23.058 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.469 -12.939 -22.247 1.00 0.13 H new ATOM 473 N ASP A 32 -13.373 -17.209 -25.076 1.00 0.12 N ATOM 474 CA ASP A 32 -13.641 -18.610 -25.365 1.00 0.15 C ATOM 475 C ASP A 32 -12.990 -19.509 -24.318 1.00 0.15 C ATOM 476 O ASP A 32 -13.598 -20.472 -23.842 1.00 0.19 O ATOM 477 CB ASP A 32 -13.119 -18.951 -26.767 1.00 0.21 C ATOM 478 CG ASP A 32 -13.012 -20.445 -27.011 1.00 0.34 C ATOM 479 OD1 ASP A 32 -11.945 -21.025 -26.719 1.00 0.46 O ATOM 480 OD2 ASP A 32 -13.988 -21.046 -27.504 1.00 0.60 O ATOM 0 H ASP A 32 -12.709 -16.774 -25.717 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.717 -18.781 -25.332 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.783 -18.513 -27.513 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.139 -18.494 -26.905 1.00 0.21 H new ATOM 485 N SER A 33 -11.763 -19.164 -23.946 1.00 0.14 N ATOM 486 CA SER A 33 -10.994 -19.934 -22.983 1.00 0.18 C ATOM 487 C SER A 33 -9.680 -19.219 -22.694 1.00 0.13 C ATOM 488 O SER A 33 -9.276 -18.326 -23.442 1.00 0.14 O ATOM 489 CB SER A 33 -10.728 -21.353 -23.510 1.00 0.27 C ATOM 490 OG SER A 33 -10.106 -21.326 -24.784 1.00 1.07 O ATOM 0 H SER A 33 -11.276 -18.343 -24.305 1.00 0.14 H new ATOM 0 HA SER A 33 -11.567 -20.020 -22.060 1.00 0.18 H new ATOM 0 HB2 SER A 33 -10.094 -21.891 -22.806 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.668 -21.901 -23.575 1.00 0.27 H new ATOM 0 HG SER A 33 -10.792 -21.346 -25.483 1.00 1.07 H new ATOM 496 N ILE A 34 -9.032 -19.597 -21.610 1.00 0.16 N ATOM 497 CA ILE A 34 -7.738 -19.042 -21.261 1.00 0.14 C ATOM 498 C ILE A 34 -6.758 -20.158 -20.929 1.00 0.16 C ATOM 499 O ILE A 34 -7.070 -21.078 -20.174 1.00 0.19 O ATOM 500 CB ILE A 34 -7.849 -18.030 -20.099 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.240 -16.653 -20.644 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.547 -17.946 -19.311 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.554 -15.626 -19.574 1.00 0.17 C ATOM 0 H ILE A 34 -9.383 -20.292 -20.951 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.359 -18.496 -22.125 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.625 -18.376 -19.416 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.427 -16.277 -21.265 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.110 -16.765 -21.291 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.658 -17.226 -18.501 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.309 -18.925 -18.896 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.741 -17.627 -19.972 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.821 -14.680 -20.045 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.388 -15.977 -18.966 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.679 -15.482 -18.940 1.00 0.17 H new ATOM 515 N LYS A 35 -5.582 -20.072 -21.532 1.00 0.17 N ATOM 516 CA LYS A 35 -4.567 -21.102 -21.419 1.00 0.21 C ATOM 517 C LYS A 35 -3.287 -20.504 -20.848 1.00 0.20 C ATOM 518 O LYS A 35 -2.408 -20.062 -21.591 1.00 0.22 O ATOM 519 CB LYS A 35 -4.295 -21.717 -22.796 1.00 0.24 C ATOM 520 CG LYS A 35 -5.555 -22.207 -23.493 1.00 0.34 C ATOM 521 CD LYS A 35 -6.280 -23.253 -22.661 1.00 0.47 C ATOM 522 CE LYS A 35 -7.734 -23.381 -23.073 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.888 -23.958 -24.438 1.00 1.56 N ATOM 0 H LYS A 35 -5.306 -19.282 -22.115 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.921 -21.884 -20.748 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.803 -20.976 -23.427 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.602 -22.551 -22.684 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.220 -21.364 -23.680 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.295 -22.629 -24.464 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.783 -24.217 -22.773 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.222 -22.985 -21.606 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.259 -24.010 -22.354 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -8.206 -22.399 -23.041 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.899 -24.026 -24.674 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.411 -23.345 -25.130 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.462 -24.906 -24.464 1.00 1.56 H new ATOM 537 N GLY A 36 -3.205 -20.456 -19.525 1.00 0.25 N ATOM 538 CA GLY A 36 -2.033 -19.908 -18.878 1.00 0.28 C ATOM 539 C GLY A 36 -1.955 -18.399 -19.016 1.00 0.24 C ATOM 540 O GLY A 36 -2.787 -17.679 -18.473 1.00 0.29 O ATOM 0 H GLY A 36 -3.931 -20.787 -18.889 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.046 -20.174 -17.821 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.138 -20.357 -19.309 1.00 0.28 H new ATOM 544 N GLN A 37 -0.968 -17.924 -19.766 1.00 0.21 N ATOM 545 CA GLN A 37 -0.767 -16.489 -19.955 1.00 0.20 C ATOM 546 C GLN A 37 -1.479 -16.005 -21.214 1.00 0.17 C ATOM 547 O GLN A 37 -1.330 -14.855 -21.612 1.00 0.21 O ATOM 548 CB GLN A 37 0.728 -16.157 -20.070 1.00 0.24 C ATOM 549 CG GLN A 37 1.597 -16.789 -18.994 1.00 0.36 C ATOM 550 CD GLN A 37 1.265 -16.297 -17.601 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.831 -15.161 -17.414 1.00 2.10 O ATOM 552 NE2 GLN A 37 1.475 -17.146 -16.609 1.00 1.94 N ATOM 0 H GLN A 37 -0.292 -18.511 -20.255 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.184 -15.983 -19.084 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.086 -16.483 -21.047 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.851 -15.075 -20.030 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.479 -17.872 -19.029 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.644 -16.576 -19.209 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.836 -18.080 -16.805 1.00 1.94 H new ATOM 0 HE22 GLN A 37 1.276 -16.867 -15.648 1.00 1.94 H new ATOM 561 N PHE A 38 -2.261 -16.875 -21.833 1.00 0.13 N ATOM 562 CA PHE A 38 -2.884 -16.543 -23.098 1.00 0.11 C ATOM 563 C PHE A 38 -4.366 -16.799 -23.053 1.00 0.10 C ATOM 564 O PHE A 38 -4.822 -17.768 -22.461 1.00 0.12 O ATOM 565 CB PHE A 38 -2.247 -17.326 -24.246 1.00 0.13 C ATOM 566 CG PHE A 38 -0.829 -16.924 -24.506 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.548 -15.887 -25.379 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.220 -17.564 -23.866 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.753 -15.493 -25.607 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.523 -17.177 -24.095 1.00 0.29 C ATOM 571 CZ PHE A 38 1.790 -16.139 -24.966 1.00 0.32 C ATOM 0 H PHE A 38 -2.476 -17.808 -21.481 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.723 -15.480 -23.275 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.282 -18.391 -24.016 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.834 -17.176 -25.152 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.356 -15.382 -25.887 1.00 0.21 H new ATOM 0 HD2 PHE A 38 0.015 -18.374 -23.181 1.00 0.23 H new ATOM 0 HE1 PHE A 38 0.960 -14.680 -26.287 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.334 -17.685 -23.594 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.810 -15.833 -25.145 1.00 0.32 H new ATOM 581 N GLY A 39 -5.109 -15.919 -23.680 1.00 0.09 N ATOM 582 CA GLY A 39 -6.537 -16.070 -23.742 1.00 0.09 C ATOM 583 C GLY A 39 -7.017 -16.081 -25.166 1.00 0.09 C ATOM 584 O GLY A 39 -6.324 -15.598 -26.059 1.00 0.11 O ATOM 0 H GLY A 39 -4.746 -15.092 -24.154 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.830 -16.997 -23.249 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.016 -15.255 -23.199 1.00 0.09 H new ATOM 588 N PHE A 40 -8.179 -16.651 -25.389 1.00 0.09 N ATOM 589 CA PHE A 40 -8.751 -16.701 -26.715 1.00 0.10 C ATOM 590 C PHE A 40 -10.186 -16.217 -26.674 1.00 0.10 C ATOM 591 O PHE A 40 -10.907 -16.472 -25.712 1.00 0.18 O ATOM 592 CB PHE A 40 -8.687 -18.125 -27.275 1.00 0.12 C ATOM 593 CG PHE A 40 -7.292 -18.669 -27.373 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.692 -19.273 -26.278 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.580 -18.572 -28.555 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.406 -19.768 -26.358 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.292 -19.067 -28.643 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.704 -19.666 -27.543 1.00 0.17 C ATOM 0 H PHE A 40 -8.749 -17.089 -24.665 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.174 -16.049 -27.371 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.281 -18.783 -26.641 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.144 -18.138 -28.265 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.238 -19.357 -25.350 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.034 -18.106 -29.417 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.950 -20.234 -25.497 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.745 -18.986 -29.571 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.698 -20.053 -27.611 1.00 0.17 H new ATOM 608 N LEU A 41 -10.589 -15.516 -27.710 1.00 0.10 N ATOM 609 CA LEU A 41 -11.923 -14.949 -27.773 1.00 0.09 C ATOM 610 C LEU A 41 -12.684 -15.549 -28.936 1.00 0.09 C ATOM 611 O LEU A 41 -12.077 -15.974 -29.920 1.00 0.13 O ATOM 612 CB LEU A 41 -11.841 -13.429 -27.928 1.00 0.09 C ATOM 613 CG LEU A 41 -10.780 -12.768 -27.057 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.469 -11.368 -27.546 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.243 -12.742 -25.621 1.00 0.53 C ATOM 0 H LEU A 41 -10.010 -15.322 -28.527 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.450 -15.180 -26.847 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.637 -13.192 -28.972 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.813 -12.998 -27.687 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.862 -13.352 -27.123 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.709 -10.920 -26.906 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.100 -11.414 -28.571 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.374 -10.762 -27.513 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.481 -12.268 -25.002 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.172 -12.177 -25.549 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.410 -13.762 -25.274 1.00 0.53 H new ATOM 627 N ASN A 42 -14.003 -15.590 -28.830 1.00 0.11 N ATOM 628 CA ASN A 42 -14.819 -16.121 -29.908 1.00 0.15 C ATOM 629 C ASN A 42 -14.873 -15.119 -31.053 1.00 0.14 C ATOM 630 O ASN A 42 -15.852 -14.394 -31.232 1.00 0.17 O ATOM 631 CB ASN A 42 -16.227 -16.471 -29.420 1.00 0.22 C ATOM 632 CG ASN A 42 -17.048 -17.178 -30.484 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.972 -18.398 -30.635 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.847 -16.421 -31.217 1.00 1.37 N ATOM 0 H ASN A 42 -14.526 -15.265 -28.017 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.362 -17.044 -30.266 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.155 -17.107 -28.538 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.740 -15.559 -29.115 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.430 -16.844 -31.939 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -17.881 -15.414 -31.060 1.00 1.37 H new ATOM 641 N PHE A 43 -13.769 -15.043 -31.779 1.00 0.12 N ATOM 642 CA PHE A 43 -13.637 -14.163 -32.917 1.00 0.13 C ATOM 643 C PHE A 43 -12.652 -14.783 -33.901 1.00 0.16 C ATOM 644 O PHE A 43 -11.440 -14.710 -33.701 1.00 0.18 O ATOM 645 CB PHE A 43 -13.147 -12.788 -32.462 1.00 0.12 C ATOM 646 CG PHE A 43 -13.368 -11.696 -33.471 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.461 -10.853 -33.364 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.486 -11.509 -34.522 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.669 -9.847 -34.287 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.687 -10.504 -35.447 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.779 -9.673 -35.331 1.00 0.28 C ATOM 0 H PHE A 43 -12.935 -15.598 -31.589 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.604 -14.034 -33.403 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.655 -12.521 -31.535 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.083 -12.850 -32.236 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.159 -10.984 -32.550 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.629 -12.159 -34.619 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.526 -9.197 -34.194 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.989 -10.370 -36.260 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.940 -8.887 -36.054 1.00 0.28 H new ATOM 661 N GLU A 44 -13.177 -15.428 -34.928 1.00 0.23 N ATOM 662 CA GLU A 44 -12.348 -16.121 -35.907 1.00 0.30 C ATOM 663 C GLU A 44 -12.054 -15.235 -37.108 1.00 0.29 C ATOM 664 O GLU A 44 -12.891 -15.041 -37.989 1.00 0.39 O ATOM 665 CB GLU A 44 -13.014 -17.435 -36.309 1.00 0.44 C ATOM 666 CG GLU A 44 -12.879 -18.486 -35.218 1.00 0.60 C ATOM 667 CD GLU A 44 -13.950 -19.548 -35.261 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.860 -19.498 -34.410 1.00 1.81 O ATOM 669 OE2 GLU A 44 -13.879 -20.443 -36.122 1.00 1.57 O ATOM 0 H GLU A 44 -14.179 -15.488 -35.109 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.385 -16.355 -35.454 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.069 -17.260 -36.518 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.564 -17.805 -37.230 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -11.903 -18.963 -35.305 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -12.907 -17.993 -34.246 1.00 0.60 H new ATOM 676 N VAL A 45 -10.844 -14.690 -37.100 1.00 0.30 N ATOM 677 CA VAL A 45 -10.365 -13.788 -38.147 1.00 0.38 C ATOM 678 C VAL A 45 -10.008 -14.553 -39.414 1.00 0.45 C ATOM 679 O VAL A 45 -10.566 -14.315 -40.480 1.00 0.58 O ATOM 680 CB VAL A 45 -9.125 -12.989 -37.666 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.558 -11.819 -36.803 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.171 -13.893 -36.885 1.00 0.71 C ATOM 0 H VAL A 45 -10.160 -14.861 -36.363 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.176 -13.094 -38.369 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.601 -12.608 -38.542 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.679 -11.266 -36.472 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.204 -11.159 -37.382 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -10.102 -12.189 -35.934 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.308 -13.314 -36.557 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.686 -14.301 -36.016 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.837 -14.710 -37.525 1.00 0.71 H new ATOM 692 N GLU A 46 -9.079 -15.475 -39.272 1.00 0.51 N ATOM 693 CA GLU A 46 -8.601 -16.284 -40.345 1.00 0.61 C ATOM 694 C GLU A 46 -9.171 -17.683 -40.141 1.00 0.62 C ATOM 695 O GLU A 46 -9.903 -17.877 -39.176 1.00 0.97 O ATOM 696 CB GLU A 46 -7.068 -16.251 -40.285 1.00 0.75 C ATOM 697 CG GLU A 46 -6.358 -17.167 -41.254 1.00 0.88 C ATOM 698 CD GLU A 46 -6.725 -16.911 -42.700 1.00 1.35 C ATOM 699 OE1 GLU A 46 -7.537 -17.673 -43.260 1.00 2.24 O ATOM 700 OE2 GLU A 46 -6.203 -15.943 -43.284 1.00 1.57 O ATOM 0 H GLU A 46 -8.631 -15.679 -38.378 1.00 0.51 H new ATOM 0 HA GLU A 46 -8.910 -15.934 -41.330 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -6.737 -15.229 -40.469 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -6.756 -16.509 -39.273 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -5.281 -17.048 -41.133 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -6.594 -18.201 -41.004 1.00 0.88 H new ATOM 707 N ASP A 47 -8.849 -18.609 -41.042 1.00 0.85 N ATOM 708 CA ASP A 47 -9.282 -20.019 -40.994 1.00 0.84 C ATOM 709 C ASP A 47 -9.485 -20.556 -39.580 1.00 0.83 C ATOM 710 O ASP A 47 -8.576 -21.143 -38.993 1.00 1.18 O ATOM 711 CB ASP A 47 -8.229 -20.870 -41.689 1.00 0.90 C ATOM 712 CG ASP A 47 -8.606 -22.337 -41.782 1.00 1.18 C ATOM 713 OD1 ASP A 47 -9.460 -22.681 -42.621 1.00 1.30 O ATOM 714 OD2 ASP A 47 -8.030 -23.156 -41.034 1.00 1.55 O ATOM 0 H ASP A 47 -8.264 -18.401 -41.851 1.00 0.85 H new ATOM 0 HA ASP A 47 -10.251 -20.069 -41.491 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -8.063 -20.481 -42.693 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -7.285 -20.778 -41.151 1.00 0.90 H new ATOM 719 N GLY A 48 -10.652 -20.292 -39.012 1.00 0.65 N ATOM 720 CA GLY A 48 -11.013 -20.894 -37.748 1.00 0.67 C ATOM 721 C GLY A 48 -10.125 -20.403 -36.626 1.00 0.58 C ATOM 722 O GLY A 48 -10.073 -20.998 -35.549 1.00 0.66 O ATOM 0 H GLY A 48 -11.357 -19.669 -39.406 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.053 -20.663 -37.518 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -10.937 -21.979 -37.825 1.00 0.67 H new ATOM 726 N LYS A 49 -9.424 -19.308 -36.882 1.00 0.48 N ATOM 727 CA LYS A 49 -8.450 -18.800 -35.946 1.00 0.44 C ATOM 728 C LYS A 49 -9.148 -18.086 -34.808 1.00 0.36 C ATOM 729 O LYS A 49 -9.668 -16.985 -34.980 1.00 0.35 O ATOM 730 CB LYS A 49 -7.487 -17.844 -36.657 1.00 0.50 C ATOM 731 CG LYS A 49 -6.078 -18.399 -36.836 1.00 0.71 C ATOM 732 CD LYS A 49 -5.422 -18.705 -35.499 1.00 0.93 C ATOM 733 CE LYS A 49 -5.243 -17.454 -34.646 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.913 -17.800 -33.235 1.00 2.50 N ATOM 0 H LYS A 49 -9.517 -18.757 -37.735 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.880 -19.636 -35.540 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -7.895 -17.596 -37.637 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.431 -16.914 -36.091 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -6.118 -19.307 -37.438 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -5.470 -17.679 -37.384 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -6.029 -19.429 -34.956 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -4.450 -19.168 -35.670 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.449 -16.836 -35.066 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -6.157 -16.860 -34.672 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -5.749 -17.647 -32.635 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.626 -18.798 -33.180 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -4.134 -17.197 -32.903 1.00 2.50 H new ATOM 748 N LYS A 50 -9.136 -18.708 -33.646 1.00 0.37 N ATOM 749 CA LYS A 50 -9.714 -18.108 -32.468 1.00 0.32 C ATOM 750 C LYS A 50 -8.768 -17.020 -31.983 1.00 0.27 C ATOM 751 O LYS A 50 -7.583 -17.282 -31.759 1.00 0.36 O ATOM 752 CB LYS A 50 -9.932 -19.175 -31.388 1.00 0.41 C ATOM 753 CG LYS A 50 -11.064 -18.862 -30.418 1.00 0.47 C ATOM 754 CD LYS A 50 -12.436 -18.950 -31.086 1.00 0.47 C ATOM 755 CE LYS A 50 -12.777 -20.374 -31.511 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.166 -20.489 -32.040 1.00 1.32 N ATOM 0 H LYS A 50 -8.730 -19.632 -33.496 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.686 -17.670 -32.696 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -10.138 -20.129 -31.873 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -9.008 -19.297 -30.823 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -11.025 -19.557 -29.579 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.924 -17.861 -30.009 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -13.198 -18.585 -30.397 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.456 -18.297 -31.959 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.071 -20.702 -32.274 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -12.658 -21.043 -30.659 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.297 -21.427 -32.471 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.845 -20.367 -31.262 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.326 -19.753 -32.757 1.00 1.32 H new ATOM 770 N LEU A 51 -9.273 -15.800 -31.874 1.00 0.19 N ATOM 771 CA LEU A 51 -8.433 -14.659 -31.539 1.00 0.13 C ATOM 772 C LEU A 51 -7.716 -14.868 -30.223 1.00 0.12 C ATOM 773 O LEU A 51 -8.345 -15.077 -29.191 1.00 0.16 O ATOM 774 CB LEU A 51 -9.246 -13.371 -31.474 1.00 0.13 C ATOM 775 CG LEU A 51 -9.025 -12.413 -32.648 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.790 -11.122 -32.445 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.550 -12.117 -32.815 1.00 0.16 C ATOM 0 H LEU A 51 -10.258 -15.575 -32.012 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.692 -14.569 -32.333 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.304 -13.628 -31.427 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.003 -12.851 -30.548 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.397 -12.896 -33.552 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.616 -10.459 -33.293 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.855 -11.339 -32.366 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.450 -10.638 -31.530 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.408 -11.435 -33.653 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.166 -11.658 -31.904 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -7.012 -13.045 -33.008 1.00 0.16 H new ATOM 789 N PHE A 52 -6.396 -14.804 -30.268 1.00 0.12 N ATOM 790 CA PHE A 52 -5.592 -14.997 -29.080 1.00 0.11 C ATOM 791 C PHE A 52 -5.134 -13.653 -28.540 1.00 0.10 C ATOM 792 O PHE A 52 -5.045 -12.666 -29.277 1.00 0.12 O ATOM 793 CB PHE A 52 -4.376 -15.886 -29.378 1.00 0.14 C ATOM 794 CG PHE A 52 -3.231 -15.173 -30.044 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.193 -15.016 -31.421 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.188 -14.663 -29.286 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.138 -14.362 -32.028 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.130 -14.008 -29.886 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.104 -13.856 -31.258 1.00 0.39 C ATOM 0 H PHE A 52 -5.861 -14.620 -31.117 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.204 -15.497 -28.329 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.022 -16.321 -28.443 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.693 -16.712 -30.015 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.997 -15.409 -32.026 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.203 -14.779 -28.212 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.120 -14.246 -33.102 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.325 -13.616 -29.283 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.279 -13.343 -31.730 1.00 0.39 H new ATOM 809 N PHE A 53 -4.856 -13.621 -27.255 1.00 0.10 N ATOM 810 CA PHE A 53 -4.297 -12.446 -26.631 1.00 0.10 C ATOM 811 C PHE A 53 -3.420 -12.866 -25.469 1.00 0.11 C ATOM 812 O PHE A 53 -3.580 -13.964 -24.935 1.00 0.13 O ATOM 813 CB PHE A 53 -5.411 -11.498 -26.173 1.00 0.10 C ATOM 814 CG PHE A 53 -6.237 -11.989 -25.013 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.796 -11.813 -23.714 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.460 -12.609 -25.222 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.551 -12.250 -22.646 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.218 -13.047 -24.154 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.762 -12.867 -22.864 1.00 0.14 C ATOM 0 H PHE A 53 -5.010 -14.403 -26.619 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.686 -11.906 -27.354 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.963 -10.542 -25.900 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.075 -11.310 -27.017 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.848 -11.327 -23.534 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.823 -12.751 -26.229 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.192 -12.108 -21.637 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.168 -13.531 -24.328 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.354 -13.209 -22.028 1.00 0.14 H new ATOM 829 N HIS A 54 -2.489 -12.014 -25.086 1.00 0.13 N ATOM 830 CA HIS A 54 -1.611 -12.315 -23.972 1.00 0.15 C ATOM 831 C HIS A 54 -2.119 -11.594 -22.720 1.00 0.15 C ATOM 832 O HIS A 54 -2.731 -10.528 -22.818 1.00 0.16 O ATOM 833 CB HIS A 54 -0.171 -11.902 -24.311 1.00 0.18 C ATOM 834 CG HIS A 54 0.845 -12.312 -23.291 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.760 -11.456 -22.720 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.088 -13.530 -22.750 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.513 -12.169 -21.869 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.145 -13.431 -21.852 1.00 0.27 N ATOM 0 H HIS A 54 -2.321 -11.110 -25.528 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.611 -13.388 -23.778 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.102 -12.336 -25.273 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.134 -10.819 -24.428 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.546 -14.435 -22.980 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.317 -11.760 -21.275 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.551 -14.183 -21.295 1.00 0.27 H new ATOM 846 N MET A 55 -1.871 -12.178 -21.550 1.00 0.16 N ATOM 847 CA MET A 55 -2.318 -11.613 -20.274 1.00 0.17 C ATOM 848 C MET A 55 -1.735 -10.222 -20.009 1.00 0.17 C ATOM 849 O MET A 55 -2.112 -9.555 -19.049 1.00 0.27 O ATOM 850 CB MET A 55 -1.928 -12.557 -19.133 1.00 0.24 C ATOM 851 CG MET A 55 -2.927 -13.672 -18.877 1.00 0.76 C ATOM 852 SD MET A 55 -4.523 -13.053 -18.313 1.00 1.86 S ATOM 853 CE MET A 55 -5.385 -14.584 -17.976 1.00 2.43 C ATOM 0 H MET A 55 -1.356 -13.054 -21.457 1.00 0.16 H new ATOM 0 HA MET A 55 -3.401 -11.505 -20.329 1.00 0.17 H new ATOM 0 HB2 MET A 55 -0.957 -12.999 -19.358 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.809 -11.975 -18.219 1.00 0.24 H new ATOM 0 HG2 MET A 55 -3.067 -14.247 -19.792 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.521 -14.355 -18.130 1.00 0.76 H new ATOM 0 HE1 MET A 55 -6.357 -14.365 -17.535 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.525 -15.135 -18.906 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.799 -15.186 -17.282 1.00 2.43 H new ATOM 863 N SER A 56 -0.823 -9.783 -20.861 1.00 0.16 N ATOM 864 CA SER A 56 -0.209 -8.477 -20.706 1.00 0.19 C ATOM 865 C SER A 56 -1.153 -7.381 -21.219 1.00 0.17 C ATOM 866 O SER A 56 -1.128 -6.249 -20.730 1.00 0.24 O ATOM 867 CB SER A 56 1.133 -8.443 -21.447 1.00 0.26 C ATOM 868 OG SER A 56 1.870 -7.271 -21.156 1.00 0.91 O ATOM 0 H SER A 56 -0.492 -10.313 -21.667 1.00 0.16 H new ATOM 0 HA SER A 56 -0.023 -8.290 -19.648 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.721 -9.319 -21.172 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.956 -8.502 -22.521 1.00 0.26 H new ATOM 0 HG SER A 56 2.719 -7.288 -21.646 1.00 0.91 H new ATOM 874 N GLU A 57 -1.996 -7.728 -22.194 1.00 0.14 N ATOM 875 CA GLU A 57 -2.973 -6.796 -22.734 1.00 0.17 C ATOM 876 C GLU A 57 -4.252 -6.805 -21.888 1.00 0.16 C ATOM 877 O GLU A 57 -5.174 -6.028 -22.127 1.00 0.20 O ATOM 878 CB GLU A 57 -3.308 -7.167 -24.186 1.00 0.22 C ATOM 879 CG GLU A 57 -2.123 -7.088 -25.150 1.00 0.32 C ATOM 880 CD GLU A 57 -1.163 -8.261 -25.031 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.441 -9.324 -25.626 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.120 -8.119 -24.352 1.00 1.20 O ATOM 0 H GLU A 57 -2.017 -8.653 -22.623 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.544 -5.794 -22.709 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.709 -8.180 -24.206 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.096 -6.505 -24.544 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.499 -7.039 -26.172 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.577 -6.162 -24.967 1.00 0.32 H new ATOM 889 N VAL A 58 -4.283 -7.698 -20.902 1.00 0.17 N ATOM 890 CA VAL A 58 -5.441 -7.891 -20.033 1.00 0.17 C ATOM 891 C VAL A 58 -5.672 -6.702 -19.090 1.00 0.20 C ATOM 892 O VAL A 58 -4.732 -6.015 -18.672 1.00 0.27 O ATOM 893 CB VAL A 58 -5.281 -9.218 -19.247 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.929 -9.176 -17.870 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.852 -10.365 -20.056 1.00 0.22 C ATOM 0 H VAL A 58 -3.499 -8.313 -20.682 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.330 -7.952 -20.661 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.213 -9.367 -19.086 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.783 -10.133 -17.370 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.473 -8.383 -17.277 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.996 -8.981 -17.976 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.737 -11.295 -19.500 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.910 -10.184 -20.247 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.320 -10.442 -21.004 1.00 0.22 H new ATOM 905 N GLN A 59 -6.949 -6.480 -18.785 1.00 0.20 N ATOM 906 CA GLN A 59 -7.411 -5.353 -17.986 1.00 0.25 C ATOM 907 C GLN A 59 -6.877 -5.412 -16.556 1.00 0.34 C ATOM 908 O GLN A 59 -7.405 -6.143 -15.714 1.00 0.57 O ATOM 909 CB GLN A 59 -8.948 -5.357 -17.984 1.00 0.31 C ATOM 910 CG GLN A 59 -9.604 -4.034 -17.599 1.00 0.41 C ATOM 911 CD GLN A 59 -9.553 -3.736 -16.107 1.00 0.77 C ATOM 912 OE1 GLN A 59 -8.629 -3.085 -15.618 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.554 -4.207 -15.381 1.00 1.25 N ATOM 0 H GLN A 59 -7.704 -7.092 -19.094 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.034 -4.430 -18.426 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.295 -5.640 -18.978 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.292 -6.128 -17.295 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.113 -3.225 -18.139 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.645 -4.047 -17.922 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -11.300 -4.742 -15.826 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -10.580 -4.035 -14.376 1.00 1.25 H new ATOM 922 N GLY A 60 -5.828 -4.640 -16.297 1.00 0.40 N ATOM 923 CA GLY A 60 -5.312 -4.495 -14.948 1.00 0.49 C ATOM 924 C GLY A 60 -4.607 -5.737 -14.444 1.00 0.44 C ATOM 925 O GLY A 60 -3.397 -5.893 -14.621 1.00 0.58 O ATOM 0 H GLY A 60 -5.321 -4.107 -17.004 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.619 -3.654 -14.919 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.135 -4.253 -14.275 1.00 0.49 H new ATOM 929 N ASN A 61 -5.366 -6.623 -13.820 1.00 0.47 N ATOM 930 CA ASN A 61 -4.808 -7.834 -13.241 1.00 0.52 C ATOM 931 C ASN A 61 -5.163 -9.040 -14.084 1.00 0.52 C ATOM 932 O ASN A 61 -6.209 -9.076 -14.728 1.00 0.49 O ATOM 933 CB ASN A 61 -5.320 -8.048 -11.816 1.00 0.63 C ATOM 934 CG ASN A 61 -4.682 -7.117 -10.810 1.00 1.27 C ATOM 935 OD1 ASN A 61 -5.148 -6.001 -10.596 1.00 2.20 O ATOM 936 ND2 ASN A 61 -3.606 -7.571 -10.186 1.00 1.71 N ATOM 0 H ASN A 61 -6.374 -6.525 -13.701 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.725 -7.716 -13.214 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.401 -7.906 -11.799 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -5.130 -9.079 -11.519 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -3.131 -6.987 -9.498 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -3.252 -8.505 -10.394 1.00 1.71 H new ATOM 943 N THR A 62 -4.297 -10.032 -14.047 1.00 0.62 N ATOM 944 CA THR A 62 -4.490 -11.260 -14.795 1.00 0.71 C ATOM 945 C THR A 62 -5.731 -12.009 -14.311 1.00 0.70 C ATOM 946 O THR A 62 -6.441 -12.639 -15.095 1.00 0.82 O ATOM 947 CB THR A 62 -3.256 -12.160 -14.644 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.975 -12.350 -13.248 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.051 -11.526 -15.319 1.00 0.95 C ATOM 0 H THR A 62 -3.438 -10.011 -13.497 1.00 0.62 H new ATOM 0 HA THR A 62 -4.631 -11.001 -15.844 1.00 0.71 H new ATOM 0 HB THR A 62 -3.459 -13.121 -15.117 1.00 0.86 H new ATOM 0 HG1 THR A 62 -2.188 -12.926 -13.148 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.184 -12.177 -15.203 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.260 -11.386 -16.380 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.843 -10.560 -14.860 1.00 0.95 H new ATOM 957 N VAL A 63 -6.000 -11.907 -13.010 1.00 0.63 N ATOM 958 CA VAL A 63 -7.124 -12.603 -12.405 1.00 0.71 C ATOM 959 C VAL A 63 -8.390 -11.744 -12.483 1.00 0.64 C ATOM 960 O VAL A 63 -9.430 -12.094 -11.930 1.00 0.74 O ATOM 961 CB VAL A 63 -6.818 -12.975 -10.928 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.828 -13.975 -10.375 1.00 1.39 C ATOM 963 CG2 VAL A 63 -5.412 -13.525 -10.805 1.00 1.31 C ATOM 0 H VAL A 63 -5.451 -11.347 -12.358 1.00 0.63 H new ATOM 0 HA VAL A 63 -7.290 -13.525 -12.962 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.899 -12.064 -10.335 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.579 -14.209 -9.340 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.828 -13.544 -10.419 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.800 -14.888 -10.970 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.211 -13.781 -9.765 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -5.315 -14.417 -11.424 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.697 -12.773 -11.138 1.00 1.31 H new ATOM 973 N ALA A 64 -8.307 -10.621 -13.192 1.00 0.55 N ATOM 974 CA ALA A 64 -9.451 -9.735 -13.349 1.00 0.53 C ATOM 975 C ALA A 64 -10.200 -10.041 -14.645 1.00 0.44 C ATOM 976 O ALA A 64 -11.295 -9.531 -14.882 1.00 0.56 O ATOM 977 CB ALA A 64 -8.998 -8.281 -13.318 1.00 0.57 C ATOM 0 H ALA A 64 -7.460 -10.306 -13.665 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.136 -9.903 -12.518 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.863 -7.628 -13.436 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.513 -8.071 -12.365 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.294 -8.102 -14.131 1.00 0.57 H new ATOM 983 N LEU A 65 -9.604 -10.883 -15.475 1.00 0.35 N ATOM 984 CA LEU A 65 -10.217 -11.268 -16.730 1.00 0.25 C ATOM 985 C LEU A 65 -10.388 -12.787 -16.744 1.00 0.22 C ATOM 986 O LEU A 65 -9.427 -13.531 -16.549 1.00 0.26 O ATOM 987 CB LEU A 65 -9.342 -10.777 -17.902 1.00 0.23 C ATOM 988 CG LEU A 65 -10.062 -10.549 -19.238 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.369 -11.868 -19.911 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.324 -9.753 -19.013 1.00 1.21 C ATOM 0 H LEU A 65 -8.695 -11.312 -15.299 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.200 -10.810 -16.839 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.866 -9.842 -17.606 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.545 -11.503 -18.062 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.406 -9.982 -19.899 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.879 -11.684 -20.856 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.440 -12.406 -20.099 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -11.010 -12.467 -19.263 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.829 -9.595 -19.966 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.983 -10.299 -18.339 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.072 -8.789 -18.572 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.617 -13.242 -16.959 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.933 -14.663 -16.870 1.00 0.21 C ATOM 1004 C HIS A 66 -12.538 -15.181 -18.170 1.00 0.15 C ATOM 1005 O HIS A 66 -13.159 -14.425 -18.920 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.909 -14.927 -15.718 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.353 -14.658 -14.353 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.355 -15.406 -13.763 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.679 -13.698 -13.454 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.124 -14.896 -12.548 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.899 -13.856 -12.313 1.00 0.91 N ATOM 0 H HIS A 66 -12.411 -12.648 -17.196 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.998 -15.192 -16.684 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.796 -14.310 -15.862 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.233 -15.967 -15.765 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.426 -12.932 -13.600 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -10.397 -15.286 -11.851 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.922 -13.285 -11.468 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.357 -16.483 -18.460 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.951 -17.118 -19.636 1.00 0.14 C ATOM 1021 C PRO A 67 -14.468 -17.247 -19.509 1.00 0.15 C ATOM 1022 O PRO A 67 -14.970 -17.961 -18.638 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.290 -18.498 -19.678 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.876 -18.771 -18.274 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.555 -17.435 -17.663 1.00 0.19 C ATOM 0 HA PRO A 67 -12.788 -16.536 -20.543 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -12.984 -19.257 -20.039 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.432 -18.504 -20.351 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.674 -19.269 -17.723 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.009 -19.430 -18.245 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.826 -17.402 -16.608 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.490 -17.212 -17.725 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.191 -16.564 -20.384 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.640 -16.573 -20.329 1.00 0.18 C ATOM 1035 C GLY A 68 -17.215 -15.186 -20.123 1.00 0.18 C ATOM 1036 O GLY A 68 -18.395 -14.947 -20.388 1.00 0.22 O ATOM 0 H GLY A 68 -14.797 -15.999 -21.137 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.034 -16.994 -21.254 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -16.967 -17.224 -19.518 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.382 -14.274 -19.647 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.779 -12.881 -19.495 1.00 0.20 C ATOM 1042 C ASP A 69 -16.642 -12.159 -20.827 1.00 0.13 C ATOM 1043 O ASP A 69 -15.874 -12.588 -21.695 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.915 -12.176 -18.440 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.382 -12.400 -17.011 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.526 -13.577 -16.609 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.618 -11.410 -16.284 1.00 1.09 O ATOM 0 H ASP A 69 -15.424 -14.473 -19.358 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.818 -12.856 -19.166 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.887 -12.525 -18.535 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.909 -11.106 -18.646 1.00 0.27 H new ATOM 1052 N THR A 70 -17.390 -11.080 -21.002 1.00 0.13 N ATOM 1053 CA THR A 70 -17.277 -10.277 -22.204 1.00 0.11 C ATOM 1054 C THR A 70 -16.046 -9.385 -22.111 1.00 0.10 C ATOM 1055 O THR A 70 -15.704 -8.899 -21.033 1.00 0.14 O ATOM 1056 CB THR A 70 -18.520 -9.396 -22.415 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.697 -10.138 -22.074 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.625 -8.932 -23.862 1.00 0.15 C ATOM 0 H THR A 70 -18.078 -10.744 -20.328 1.00 0.13 H new ATOM 0 HA THR A 70 -17.189 -10.957 -23.051 1.00 0.11 H new ATOM 0 HB THR A 70 -18.428 -8.519 -21.774 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.488 -9.575 -22.207 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.513 -8.311 -23.982 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.739 -8.353 -24.124 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.698 -9.800 -24.518 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.373 -9.189 -23.227 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.187 -8.359 -23.264 1.00 0.12 C ATOM 1068 C VAL A 71 -14.202 -7.487 -24.486 1.00 0.12 C ATOM 1069 O VAL A 71 -14.884 -7.769 -25.476 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.896 -9.195 -23.283 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.826 -10.096 -22.070 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.796 -10.009 -24.557 1.00 0.24 C ATOM 0 H VAL A 71 -15.630 -9.597 -24.126 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.199 -7.753 -22.358 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.050 -8.509 -23.252 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.906 -10.679 -22.102 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.840 -9.489 -21.165 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.682 -10.770 -22.068 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.874 -10.591 -24.546 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.650 -10.683 -24.626 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.792 -9.339 -25.417 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.465 -6.419 -24.390 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.222 -5.563 -25.506 1.00 0.14 C ATOM 1084 C GLU A 72 -11.745 -5.609 -25.829 1.00 0.14 C ATOM 1085 O GLU A 72 -10.909 -5.696 -24.933 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.706 -4.147 -25.200 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.773 -3.070 -25.674 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.480 -1.758 -25.934 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -13.182 -0.762 -25.230 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.361 -1.713 -26.813 1.00 0.78 O ATOM 0 H GLU A 72 -13.014 -6.118 -23.526 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.779 -5.901 -26.380 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.682 -3.999 -25.663 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.845 -4.046 -24.124 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.993 -2.916 -24.928 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.279 -3.399 -26.588 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.440 -5.596 -27.101 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.084 -5.775 -27.570 1.00 0.08 C ATOM 1099 C PHE A 73 -9.921 -5.061 -28.892 1.00 0.07 C ATOM 1100 O PHE A 73 -10.871 -4.479 -29.403 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.772 -7.266 -27.729 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.764 -8.002 -28.582 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.516 -8.231 -29.926 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.949 -8.463 -28.036 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.434 -8.907 -30.703 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.865 -9.139 -28.808 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.608 -9.361 -30.144 1.00 0.10 C ATOM 0 H PHE A 73 -12.124 -5.461 -27.845 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.388 -5.356 -26.843 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.779 -7.376 -28.165 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.740 -7.729 -26.743 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.597 -7.877 -30.369 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.157 -8.290 -26.991 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.232 -9.080 -31.750 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.785 -9.495 -28.368 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.327 -9.891 -30.752 1.00 0.10 H new ATOM 1117 N SER A 74 -8.741 -5.111 -29.464 1.00 0.09 N ATOM 1118 CA SER A 74 -8.517 -4.440 -30.727 1.00 0.10 C ATOM 1119 C SER A 74 -7.961 -5.435 -31.720 1.00 0.12 C ATOM 1120 O SER A 74 -6.995 -6.137 -31.424 1.00 0.19 O ATOM 1121 CB SER A 74 -7.553 -3.266 -30.558 1.00 0.15 C ATOM 1122 OG SER A 74 -7.683 -2.669 -29.278 1.00 0.86 O ATOM 0 H SER A 74 -7.931 -5.601 -29.084 1.00 0.09 H new ATOM 0 HA SER A 74 -9.464 -4.043 -31.093 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.529 -3.612 -30.697 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.746 -2.521 -31.330 1.00 0.15 H new ATOM 0 HG SER A 74 -7.360 -3.291 -28.593 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.576 -5.508 -32.882 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.168 -6.466 -33.884 1.00 0.19 C ATOM 1130 C VAL A 75 -7.051 -5.891 -34.755 1.00 0.20 C ATOM 1131 O VAL A 75 -7.283 -5.091 -35.662 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.378 -6.928 -34.732 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.140 -5.747 -35.303 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.954 -7.875 -35.843 1.00 0.36 C ATOM 0 H VAL A 75 -9.360 -4.915 -33.154 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.772 -7.347 -33.379 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.046 -7.471 -34.063 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.983 -6.108 -35.893 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.508 -5.123 -34.488 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.478 -5.160 -35.939 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.830 -8.178 -36.417 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.246 -7.371 -36.501 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.482 -8.756 -35.409 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.826 -6.269 -34.426 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.668 -5.857 -35.194 1.00 0.26 C ATOM 1146 C VAL A 76 -4.102 -7.060 -35.940 1.00 0.25 C ATOM 1147 O VAL A 76 -3.854 -8.112 -35.349 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.584 -5.210 -34.295 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.144 -6.151 -33.182 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.390 -4.752 -35.122 1.00 0.42 C ATOM 0 H VAL A 76 -5.610 -6.864 -33.626 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.982 -5.099 -35.911 1.00 0.26 H new ATOM 0 HB VAL A 76 -4.030 -4.333 -33.827 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.383 -5.663 -32.572 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -4.002 -6.403 -32.559 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.731 -7.061 -33.617 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.645 -4.302 -34.466 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.952 -5.609 -35.635 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.717 -4.017 -35.858 1.00 0.42 H new ATOM 1160 N THR A 77 -3.959 -6.926 -37.241 1.00 0.34 N ATOM 1161 CA THR A 77 -3.464 -8.013 -38.058 1.00 0.38 C ATOM 1162 C THR A 77 -1.943 -8.079 -37.993 1.00 0.44 C ATOM 1163 O THR A 77 -1.265 -7.067 -38.179 1.00 0.56 O ATOM 1164 CB THR A 77 -3.913 -7.848 -39.524 1.00 0.57 C ATOM 1165 OG1 THR A 77 -5.330 -7.646 -39.579 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.540 -9.072 -40.344 1.00 0.62 C ATOM 0 H THR A 77 -4.179 -6.074 -37.756 1.00 0.34 H new ATOM 0 HA THR A 77 -3.880 -8.941 -37.667 1.00 0.38 H new ATOM 0 HB THR A 77 -3.404 -6.980 -39.943 1.00 0.57 H new ATOM 0 HG1 THR A 77 -5.609 -7.540 -40.512 1.00 0.67 H new ATOM 0 HG21 THR A 77 -3.867 -8.933 -41.375 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.459 -9.209 -40.321 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.027 -9.953 -39.925 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.408 -9.259 -37.706 1.00 0.44 N ATOM 1175 CA ASN A 78 0.033 -9.446 -37.706 1.00 0.57 C ATOM 1176 C ASN A 78 0.563 -9.332 -39.123 1.00 0.66 C ATOM 1177 O ASN A 78 0.308 -10.198 -39.955 1.00 0.70 O ATOM 1178 CB ASN A 78 0.412 -10.803 -37.117 1.00 0.64 C ATOM 1179 CG ASN A 78 0.309 -10.837 -35.601 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.514 -10.146 -35.004 1.00 1.82 O ATOM 1181 ND2 ASN A 78 1.155 -11.634 -34.966 1.00 1.54 N ATOM 0 H ASN A 78 -1.947 -10.093 -37.472 1.00 0.44 H new ATOM 0 HA ASN A 78 0.480 -8.670 -37.085 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.237 -11.571 -37.538 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.431 -11.050 -37.413 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.137 -11.689 -33.948 1.00 1.54 H new ATOM 0 HD22 ASN A 78 1.824 -12.193 -35.495 1.00 1.54 H new ATOM 1188 N GLN A 79 1.307 -8.266 -39.383 1.00 0.79 N ATOM 1189 CA GLN A 79 1.800 -7.966 -40.724 1.00 0.91 C ATOM 1190 C GLN A 79 2.680 -9.088 -41.276 1.00 0.94 C ATOM 1191 O GLN A 79 2.888 -9.187 -42.483 1.00 1.06 O ATOM 1192 CB GLN A 79 2.578 -6.645 -40.704 1.00 1.09 C ATOM 1193 CG GLN A 79 3.765 -6.645 -39.752 1.00 1.18 C ATOM 1194 CD GLN A 79 4.396 -5.277 -39.603 1.00 1.43 C ATOM 1195 OE1 GLN A 79 5.302 -4.912 -40.347 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.923 -4.512 -38.631 1.00 1.90 N ATOM 0 H GLN A 79 1.586 -7.586 -38.675 1.00 0.79 H new ATOM 0 HA GLN A 79 0.937 -7.876 -41.384 1.00 0.91 H new ATOM 0 HB2 GLN A 79 2.932 -6.428 -41.712 1.00 1.09 H new ATOM 0 HB3 GLN A 79 1.900 -5.839 -40.424 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.440 -6.999 -38.774 1.00 1.18 H new ATOM 0 HG3 GLN A 79 4.515 -7.349 -40.113 1.00 1.18 H new ATOM 0 HE21 GLN A 79 3.169 -4.853 -38.035 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.313 -3.582 -38.479 1.00 1.90 H new ATOM 1205 N ARG A 80 3.184 -9.938 -40.394 1.00 0.93 N ATOM 1206 CA ARG A 80 4.083 -11.001 -40.805 1.00 1.03 C ATOM 1207 C ARG A 80 3.337 -12.318 -41.044 1.00 1.02 C ATOM 1208 O ARG A 80 3.659 -13.049 -41.978 1.00 1.21 O ATOM 1209 CB ARG A 80 5.175 -11.194 -39.749 1.00 1.18 C ATOM 1210 CG ARG A 80 6.321 -12.102 -40.181 1.00 1.35 C ATOM 1211 CD ARG A 80 7.041 -11.575 -41.419 1.00 1.67 C ATOM 1212 NE ARG A 80 6.392 -11.999 -42.660 1.00 2.41 N ATOM 1213 CZ ARG A 80 6.629 -11.452 -43.854 1.00 3.02 C ATOM 1214 NH1 ARG A 80 7.452 -10.412 -43.965 1.00 3.01 N ATOM 1215 NH2 ARG A 80 6.033 -11.947 -44.935 1.00 3.99 N ATOM 0 H ARG A 80 2.986 -9.911 -39.394 1.00 0.93 H new ATOM 0 HA ARG A 80 4.538 -10.708 -41.751 1.00 1.03 H new ATOM 0 HB2 ARG A 80 5.582 -10.218 -39.483 1.00 1.18 H new ATOM 0 HB3 ARG A 80 4.722 -11.606 -38.848 1.00 1.18 H new ATOM 0 HG2 ARG A 80 7.034 -12.198 -39.362 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.934 -13.100 -40.386 1.00 1.35 H new ATOM 0 HD2 ARG A 80 7.073 -10.486 -41.382 1.00 1.67 H new ATOM 0 HD3 ARG A 80 8.073 -11.925 -41.413 1.00 1.67 H new ATOM 0 HE ARG A 80 5.716 -12.761 -42.609 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.905 -10.029 -43.135 1.00 3.01 H new ATOM 0 HH12 ARG A 80 7.630 -9.998 -44.880 1.00 3.01 H new ATOM 0 HH21 ARG A 80 5.398 -12.741 -44.849 1.00 3.99 H new ATOM 0 HH22 ARG A 80 6.211 -11.533 -45.850 1.00 3.99 H new ATOM 1229 N ASN A 81 2.337 -12.617 -40.215 1.00 0.91 N ATOM 1230 CA ASN A 81 1.681 -13.931 -40.263 1.00 1.01 C ATOM 1231 C ASN A 81 0.224 -13.856 -40.718 1.00 0.87 C ATOM 1232 O ASN A 81 -0.435 -14.887 -40.854 1.00 1.04 O ATOM 1233 CB ASN A 81 1.743 -14.615 -38.894 1.00 1.16 C ATOM 1234 CG ASN A 81 3.128 -15.132 -38.539 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.863 -15.608 -39.531 1.00 1.95 O flip ATOM 1236 ND2 ASN A 81 3.521 -15.123 -37.372 1.00 2.21 N flip ATOM 0 H ASN A 81 1.965 -11.980 -39.510 1.00 0.91 H new ATOM 0 HA ASN A 81 2.229 -14.515 -41.002 1.00 1.01 H new ATOM 0 HB2 ASN A 81 1.420 -13.909 -38.129 1.00 1.16 H new ATOM 0 HB3 ASN A 81 1.038 -15.446 -38.879 1.00 1.16 H new ATOM 0 HD21 ASN A 81 2.924 -14.747 -36.636 1.00 2.21 H new ATOM 0 HD22 ASN A 81 4.444 -15.492 -37.142 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.297 -12.648 -40.894 1.00 0.68 N ATOM 1244 CA GLY A 82 -1.638 -12.484 -41.438 1.00 0.69 C ATOM 1245 C GLY A 82 -2.751 -12.765 -40.438 1.00 0.52 C ATOM 1246 O GLY A 82 -3.919 -12.507 -40.718 1.00 0.58 O ATOM 0 H GLY A 82 0.183 -11.776 -40.671 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -1.746 -11.465 -41.809 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -1.756 -13.149 -42.293 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.402 -13.301 -39.278 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.395 -13.590 -38.252 1.00 0.39 C ATOM 1252 C LYS A 83 -3.424 -12.456 -37.236 1.00 0.35 C ATOM 1253 O LYS A 83 -2.430 -11.761 -37.055 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.098 -14.936 -37.579 1.00 0.53 C ATOM 1255 CG LYS A 83 -1.809 -14.970 -36.773 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.431 -16.391 -36.371 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.534 -17.080 -37.397 1.00 1.61 C ATOM 1258 NZ LYS A 83 -1.147 -17.163 -38.752 1.00 2.42 N ATOM 0 H LYS A 83 -1.445 -13.544 -39.024 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.379 -13.665 -38.714 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -3.929 -15.190 -36.921 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.052 -15.709 -38.346 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.002 -14.531 -37.359 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.923 -14.357 -35.879 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -0.921 -16.367 -35.408 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.339 -16.979 -36.237 1.00 1.01 H new ATOM 0 HE2 LYS A 83 0.410 -16.540 -37.465 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.301 -18.086 -37.049 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -0.571 -17.784 -39.356 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -2.109 -17.551 -38.675 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -1.189 -16.213 -39.173 1.00 2.42 H new ATOM 1272 N SER A 84 -4.558 -12.253 -36.591 1.00 0.31 N ATOM 1273 CA SER A 84 -4.727 -11.111 -35.709 1.00 0.25 C ATOM 1274 C SER A 84 -4.476 -11.482 -34.248 1.00 0.24 C ATOM 1275 O SER A 84 -4.180 -12.635 -33.924 1.00 0.30 O ATOM 1276 CB SER A 84 -6.136 -10.534 -35.887 1.00 0.27 C ATOM 1277 OG SER A 84 -6.282 -9.304 -35.203 1.00 1.08 O ATOM 0 H SER A 84 -5.374 -12.861 -36.660 1.00 0.31 H new ATOM 0 HA SER A 84 -3.988 -10.356 -35.978 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.339 -10.388 -36.948 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.872 -11.247 -35.516 1.00 0.27 H new ATOM 0 HG SER A 84 -5.410 -8.863 -35.134 1.00 1.08 H new ATOM 1283 N SER A 85 -4.618 -10.491 -33.378 1.00 0.20 N ATOM 1284 CA SER A 85 -4.413 -10.653 -31.952 1.00 0.20 C ATOM 1285 C SER A 85 -5.221 -9.590 -31.216 1.00 0.18 C ATOM 1286 O SER A 85 -5.466 -8.511 -31.758 1.00 0.26 O ATOM 1287 CB SER A 85 -2.920 -10.545 -31.607 1.00 0.25 C ATOM 1288 OG SER A 85 -2.344 -9.366 -32.152 1.00 0.87 O ATOM 0 H SER A 85 -4.882 -9.544 -33.649 1.00 0.20 H new ATOM 0 HA SER A 85 -4.751 -11.642 -31.641 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.795 -10.546 -30.524 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.393 -11.419 -31.989 1.00 0.25 H new ATOM 0 HG SER A 85 -1.394 -9.326 -31.914 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.656 -9.899 -30.005 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.433 -8.966 -29.217 1.00 0.12 C ATOM 1296 C ALA A 86 -5.520 -8.057 -28.417 1.00 0.13 C ATOM 1297 O ALA A 86 -4.684 -8.517 -27.640 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.391 -9.709 -28.298 1.00 0.13 C ATOM 0 H ALA A 86 -5.481 -10.794 -29.548 1.00 0.14 H new ATOM 0 HA ALA A 86 -7.022 -8.349 -29.896 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.966 -8.990 -27.714 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.070 -10.317 -28.895 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.824 -10.353 -27.625 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.674 -6.772 -28.630 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.899 -5.772 -27.921 1.00 0.17 C ATOM 1306 C CYS A 87 -5.820 -4.909 -27.086 1.00 0.17 C ATOM 1307 O CYS A 87 -6.944 -4.638 -27.494 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.140 -4.913 -28.933 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.785 -5.778 -29.757 1.00 0.68 S ATOM 0 H CYS A 87 -6.340 -6.386 -29.300 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.184 -6.261 -27.259 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.840 -4.553 -29.687 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.741 -4.036 -28.424 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.073 -4.926 -30.433 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.336 -4.492 -25.922 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.143 -3.729 -24.975 1.00 0.20 C ATOM 1317 C ASN A 88 -7.397 -4.513 -24.618 1.00 0.18 C ATOM 1318 O ASN A 88 -8.489 -4.205 -25.088 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.529 -2.352 -25.534 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.337 -1.438 -25.779 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.235 -1.888 -26.105 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -5.552 -0.140 -25.628 1.00 1.60 N ATOM 0 H ASN A 88 -4.382 -4.671 -25.609 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.542 -3.567 -24.080 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -7.070 -2.488 -26.470 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.213 -1.865 -24.838 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -4.793 0.524 -25.782 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -6.476 0.196 -25.358 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.216 -5.557 -23.821 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.313 -6.427 -23.415 1.00 0.15 C ATOM 1331 C VAL A 89 -8.985 -5.886 -22.159 1.00 0.19 C ATOM 1332 O VAL A 89 -8.438 -5.960 -21.063 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.819 -7.883 -23.183 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.915 -8.749 -22.572 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.323 -8.487 -24.496 1.00 0.14 C ATOM 0 H VAL A 89 -6.309 -5.825 -23.439 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.044 -6.445 -24.223 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.990 -7.852 -22.476 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.538 -9.761 -22.422 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.218 -8.329 -21.613 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.773 -8.777 -23.243 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.980 -9.507 -24.321 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.136 -8.498 -25.222 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.499 -7.888 -24.883 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.162 -5.325 -22.346 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.933 -4.737 -21.262 1.00 0.16 C ATOM 1347 C LEU A 90 -12.047 -5.679 -20.836 1.00 0.11 C ATOM 1348 O LEU A 90 -12.564 -6.442 -21.650 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.533 -3.398 -21.701 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.601 -2.178 -21.664 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.091 -1.929 -20.256 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.439 -2.343 -22.625 1.00 1.12 C ATOM 0 H LEU A 90 -10.616 -5.262 -23.257 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.265 -4.569 -20.417 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.906 -3.510 -22.719 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.394 -3.187 -21.067 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.181 -1.311 -21.980 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.433 -1.060 -20.256 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.935 -1.746 -19.591 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.539 -2.802 -19.909 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.798 -1.463 -22.575 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.863 -3.227 -22.351 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.820 -2.458 -23.640 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.405 -5.632 -19.561 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.483 -6.467 -19.043 1.00 0.18 C ATOM 1366 C LYS A 91 -14.820 -5.777 -19.292 1.00 0.18 C ATOM 1367 O LYS A 91 -15.095 -4.717 -18.732 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.317 -6.725 -17.540 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.630 -8.156 -17.118 1.00 0.45 C ATOM 1370 CD LYS A 91 -15.024 -8.590 -17.545 1.00 0.59 C ATOM 1371 CE LYS A 91 -16.089 -8.117 -16.569 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.142 -8.975 -15.355 1.00 1.33 N ATOM 0 H LYS A 91 -11.967 -5.027 -18.866 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.450 -7.426 -19.560 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.293 -6.488 -17.252 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.968 -6.045 -16.991 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.892 -8.831 -17.553 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.541 -8.241 -16.035 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -15.239 -8.194 -18.537 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -15.058 -9.677 -17.621 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.884 -7.087 -16.278 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -17.062 -8.122 -17.061 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -16.794 -8.556 -14.662 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -16.477 -9.924 -15.615 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -15.192 -9.046 -14.938 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.655 -6.393 -20.107 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.890 -5.769 -20.545 1.00 0.18 C ATOM 1388 C ILE A 92 -18.111 -6.435 -19.925 1.00 0.27 C ATOM 1389 O ILE A 92 -18.185 -7.658 -19.822 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.006 -5.826 -22.085 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -15.885 -5.021 -22.731 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.359 -5.320 -22.557 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -15.904 -3.555 -22.374 1.00 0.16 C ATOM 0 H ILE A 92 -15.500 -7.329 -20.481 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.860 -4.731 -20.215 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.914 -6.869 -22.389 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -14.927 -5.446 -22.432 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -15.955 -5.123 -23.814 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.408 -5.373 -23.645 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.148 -5.937 -22.127 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.492 -4.286 -22.238 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.077 -3.049 -22.871 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.847 -3.114 -22.698 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.802 -3.442 -21.295 1.00 0.16 H new