USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 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 31 SER OG : rot -60:sc= -0.388 USER MOD Set 1.2: A 39 ASN : amide:sc= -16.2! C(o=-17!,f=-22!) USER MOD Single : A 1 LYS N :NH3+ 179:sc= 0 (180deg=-0.00312) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 5 GLN : amide:sc= -0.978 K(o=-0.98,f=-2.7!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-5!) USER MOD Single : A 12 GLN : amide:sc= -3.02! C(o=-3!,f=-5.5!) USER MOD Single : A 15 MET CE :methyl -169:sc= -3.7! (180deg=-4.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc=-0.00988 K(o=-0.0099,f=-1.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 36 MET CE :methyl -110:sc= -2.84 (180deg=-7.53!) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -2.73! (180deg=-3.15!) USER MOD Single : A 43 THR OG1 : rot -39:sc= -1.87! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -154:sc= -0.226 (180deg=-1.15) USER MOD Single : A 50 LYS NZ :NH3+ 136:sc= -0.142 (180deg=-0.875) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 88:sc= 0.0488 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.714 16.485 -3.426 1.00 0.00 N ATOM 2 CA LYS A 1 -7.658 16.033 -2.476 1.00 0.00 C ATOM 3 C LYS A 1 -8.167 14.829 -1.682 1.00 0.00 C ATOM 4 O LYS A 1 -8.884 14.972 -0.711 1.00 0.00 O ATOM 5 CB LYS A 1 -7.316 17.172 -1.514 1.00 0.00 C ATOM 6 CG LYS A 1 -6.125 16.765 -0.643 1.00 0.00 C ATOM 7 CD LYS A 1 -5.824 17.878 0.362 1.00 0.00 C ATOM 8 CE LYS A 1 -4.540 17.544 1.125 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.591 18.688 1.025 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.374 17.314 -3.954 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.934 15.717 -4.092 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.572 16.740 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.766 15.749 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.078 18.076 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.177 17.403 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.346 15.836 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.251 16.578 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.714 18.831 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.655 17.988 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.769 17.338 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.084 16.643 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.718 18.461 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.364 18.864 0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.027 19.538 1.436 1.00 0.00 H new ATOM 10 N ASN A 2 -7.805 13.643 -2.085 1.00 0.00 N ATOM 11 CA ASN A 2 -8.270 12.431 -1.354 1.00 0.00 C ATOM 12 C ASN A 2 -9.798 12.364 -1.401 1.00 0.00 C ATOM 13 O ASN A 2 -10.444 12.021 -0.431 1.00 0.00 O ATOM 14 CB ASN A 2 -7.807 12.506 0.103 1.00 0.00 C ATOM 15 CG ASN A 2 -6.278 12.500 0.151 1.00 0.00 C ATOM 16 OD1 ASN A 2 -5.630 12.139 -0.811 1.00 0.00 O ATOM 17 ND2 ASN A 2 -5.669 12.887 1.238 1.00 0.00 N ATOM 0 H ASN A 2 -7.206 13.460 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.852 11.540 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.193 13.411 0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.203 11.661 0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.650 12.886 1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.212 13.190 2.046 1.00 0.00 H new ATOM 18 N GLU A 3 -10.381 12.688 -2.522 1.00 0.00 N ATOM 19 CA GLU A 3 -11.866 12.642 -2.631 1.00 0.00 C ATOM 20 C GLU A 3 -12.351 11.212 -2.382 1.00 0.00 C ATOM 21 O GLU A 3 -13.450 10.991 -1.915 1.00 0.00 O ATOM 22 CB GLU A 3 -12.290 13.087 -4.031 1.00 0.00 C ATOM 23 CG GLU A 3 -11.910 14.555 -4.237 1.00 0.00 C ATOM 24 CD GLU A 3 -12.659 15.422 -3.225 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.619 14.935 -2.652 1.00 0.00 O ATOM 26 OE2 GLU A 3 -12.260 16.560 -3.039 1.00 0.00 O ATOM 0 H GLU A 3 -9.893 12.983 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.305 13.310 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.805 12.466 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.365 12.958 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.834 14.684 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.157 14.867 -5.252 1.00 0.00 H new ATOM 27 N ASP A 4 -11.538 10.239 -2.691 1.00 0.00 N ATOM 28 CA ASP A 4 -11.952 8.824 -2.472 1.00 0.00 C ATOM 29 C ASP A 4 -12.271 8.610 -0.993 1.00 0.00 C ATOM 30 O ASP A 4 -13.205 7.916 -0.642 1.00 0.00 O ATOM 31 CB ASP A 4 -10.815 7.890 -2.888 1.00 0.00 C ATOM 32 CG ASP A 4 -10.901 7.619 -4.392 1.00 0.00 C ATOM 33 OD1 ASP A 4 -11.872 8.046 -4.996 1.00 0.00 O ATOM 34 OD2 ASP A 4 -9.994 6.991 -4.913 1.00 0.00 O ATOM 0 H ASP A 4 -10.605 10.363 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.837 8.608 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.853 8.340 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.879 6.953 -2.335 1.00 0.00 H new ATOM 35 N GLN A 5 -11.504 9.203 -0.123 1.00 0.00 N ATOM 36 CA GLN A 5 -11.763 9.035 1.335 1.00 0.00 C ATOM 37 C GLN A 5 -13.163 9.556 1.662 1.00 0.00 C ATOM 38 O GLN A 5 -13.870 8.996 2.476 1.00 0.00 O ATOM 39 CB GLN A 5 -10.723 9.824 2.132 1.00 0.00 C ATOM 40 CG GLN A 5 -9.335 9.231 1.882 1.00 0.00 C ATOM 41 CD GLN A 5 -8.287 10.048 2.640 1.00 0.00 C ATOM 42 OE1 GLN A 5 -8.551 11.156 3.062 1.00 0.00 O ATOM 43 NE2 GLN A 5 -7.099 9.542 2.835 1.00 0.00 N ATOM 0 H GLN A 5 -10.709 9.797 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.696 7.980 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.741 10.873 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.960 9.788 3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.308 8.192 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.113 9.235 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.877 8.612 2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.394 10.077 3.341 1.00 0.00 H new ATOM 44 N GLU A 6 -13.571 10.622 1.028 1.00 0.00 N ATOM 45 CA GLU A 6 -14.927 11.174 1.298 1.00 0.00 C ATOM 46 C GLU A 6 -15.979 10.220 0.731 1.00 0.00 C ATOM 47 O GLU A 6 -17.051 10.063 1.283 1.00 0.00 O ATOM 48 CB GLU A 6 -15.062 12.544 0.632 1.00 0.00 C ATOM 49 CG GLU A 6 -14.063 13.517 1.261 1.00 0.00 C ATOM 50 CD GLU A 6 -14.239 14.904 0.640 1.00 0.00 C ATOM 51 OE1 GLU A 6 -14.992 15.014 -0.314 1.00 0.00 O ATOM 52 OE2 GLU A 6 -13.617 15.833 1.129 1.00 0.00 O ATOM 0 H GLU A 6 -13.024 11.133 0.336 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.073 11.282 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.878 12.459 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.078 12.920 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.218 13.567 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.045 13.162 1.102 1.00 0.00 H new ATOM 53 N MET A 7 -15.679 9.576 -0.364 1.00 0.00 N ATOM 54 CA MET A 7 -16.659 8.626 -0.963 1.00 0.00 C ATOM 55 C MET A 7 -16.985 7.531 0.053 1.00 0.00 C ATOM 56 O MET A 7 -18.047 6.939 0.024 1.00 0.00 O ATOM 57 CB MET A 7 -16.054 7.988 -2.216 1.00 0.00 C ATOM 58 CG MET A 7 -15.978 9.026 -3.337 1.00 0.00 C ATOM 59 SD MET A 7 -15.254 8.267 -4.812 1.00 0.00 S ATOM 60 CE MET A 7 -15.082 9.781 -5.789 1.00 0.00 C ATOM 0 H MET A 7 -14.798 9.667 -0.870 1.00 0.00 H new ATOM 0 HA MET A 7 -17.569 9.163 -1.232 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.058 7.603 -1.995 1.00 0.00 H new ATOM 0 HB3 MET A 7 -16.661 7.140 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.974 9.407 -3.562 1.00 0.00 H new ATOM 0 HG3 MET A 7 -15.375 9.877 -3.019 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.646 9.541 -6.758 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.063 10.233 -5.935 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.434 10.482 -5.263 1.00 0.00 H new ATOM 61 N CYS A 8 -16.077 7.252 0.947 1.00 0.00 N ATOM 62 CA CYS A 8 -16.330 6.192 1.961 1.00 0.00 C ATOM 63 C CYS A 8 -17.431 6.647 2.919 1.00 0.00 C ATOM 64 O CYS A 8 -18.314 5.889 3.268 1.00 0.00 O ATOM 65 CB CYS A 8 -15.046 5.923 2.748 1.00 0.00 C ATOM 66 SG CYS A 8 -15.353 4.641 3.989 1.00 0.00 S ATOM 0 H CYS A 8 -15.170 7.713 1.019 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.647 5.279 1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.252 5.606 2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.706 6.838 3.232 1.00 0.00 H new ATOM 67 N HIS A 9 -17.387 7.880 3.346 1.00 0.00 N ATOM 68 CA HIS A 9 -18.434 8.384 4.279 1.00 0.00 C ATOM 69 C HIS A 9 -19.809 7.906 3.800 1.00 0.00 C ATOM 70 O HIS A 9 -20.597 7.384 4.563 1.00 0.00 O ATOM 71 CB HIS A 9 -18.393 9.917 4.303 1.00 0.00 C ATOM 72 CG HIS A 9 -19.679 10.456 4.869 1.00 0.00 C ATOM 73 ND1 HIS A 9 -20.881 10.350 4.189 1.00 0.00 N ATOM 74 CD2 HIS A 9 -19.968 11.100 6.046 1.00 0.00 C ATOM 75 CE1 HIS A 9 -21.831 10.918 4.954 1.00 0.00 C ATOM 76 NE2 HIS A 9 -21.328 11.392 6.097 1.00 0.00 N ATOM 0 H HIS A 9 -16.671 8.560 3.089 1.00 0.00 H new ATOM 0 HA HIS A 9 -18.251 8.004 5.284 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.550 10.257 4.905 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.240 10.301 3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.250 11.343 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -22.873 10.983 4.678 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.832 11.866 6.846 1.00 0.00 H new ATOM 77 N GLU A 10 -20.102 8.082 2.541 1.00 0.00 N ATOM 78 CA GLU A 10 -21.422 7.641 2.013 1.00 0.00 C ATOM 79 C GLU A 10 -21.599 6.140 2.253 1.00 0.00 C ATOM 80 O GLU A 10 -22.657 5.689 2.647 1.00 0.00 O ATOM 81 CB GLU A 10 -21.494 7.931 0.513 1.00 0.00 C ATOM 82 CG GLU A 10 -22.895 7.599 -0.005 1.00 0.00 C ATOM 83 CD GLU A 10 -22.927 7.754 -1.527 1.00 0.00 C ATOM 84 OE1 GLU A 10 -21.892 8.062 -2.093 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.987 7.560 -2.100 1.00 0.00 O ATOM 0 H GLU A 10 -19.483 8.513 1.855 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.215 8.183 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.264 8.979 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.749 7.339 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.165 6.580 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.630 8.260 0.454 1.00 0.00 H new ATOM 86 N PHE A 11 -20.579 5.358 2.017 1.00 0.00 N ATOM 87 CA PHE A 11 -20.710 3.889 2.234 1.00 0.00 C ATOM 88 C PHE A 11 -20.822 3.600 3.732 1.00 0.00 C ATOM 89 O PHE A 11 -21.212 2.524 4.139 1.00 0.00 O ATOM 90 CB PHE A 11 -19.488 3.163 1.661 1.00 0.00 C ATOM 91 CG PHE A 11 -19.927 2.200 0.580 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.154 1.532 0.690 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.110 1.977 -0.537 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.564 0.647 -0.312 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.520 1.089 -1.538 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.748 0.425 -1.426 1.00 0.00 C ATOM 0 H PHE A 11 -19.667 5.671 1.685 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.606 3.533 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.782 3.886 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.969 2.623 2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -21.784 1.701 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.164 2.491 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.511 0.135 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.889 0.916 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.065 -0.258 -2.200 1.00 0.00 H new ATOM 97 N GLN A 12 -20.487 4.553 4.558 1.00 0.00 N ATOM 98 CA GLN A 12 -20.581 4.327 6.026 1.00 0.00 C ATOM 99 C GLN A 12 -22.053 4.174 6.419 1.00 0.00 C ATOM 100 O GLN A 12 -22.389 3.457 7.339 1.00 0.00 O ATOM 101 CB GLN A 12 -19.976 5.521 6.769 1.00 0.00 C ATOM 102 CG GLN A 12 -19.974 5.238 8.272 1.00 0.00 C ATOM 103 CD GLN A 12 -19.403 6.445 9.019 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.924 7.380 8.409 1.00 0.00 O ATOM 105 NE2 GLN A 12 -19.434 6.464 10.323 1.00 0.00 N ATOM 0 H GLN A 12 -20.153 5.476 4.280 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.034 3.422 6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.959 5.702 6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.551 6.423 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.988 5.031 8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.378 4.350 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.836 5.679 10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.056 7.264 10.831 1.00 0.00 H new ATOM 106 N ALA A 13 -22.932 4.845 5.725 1.00 0.00 N ATOM 107 CA ALA A 13 -24.380 4.741 6.056 1.00 0.00 C ATOM 108 C ALA A 13 -24.903 3.364 5.638 1.00 0.00 C ATOM 109 O ALA A 13 -25.810 2.826 6.239 1.00 0.00 O ATOM 110 CB ALA A 13 -25.155 5.828 5.306 1.00 0.00 C ATOM 0 H ALA A 13 -22.709 5.461 4.943 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.516 4.871 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.215 5.752 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.785 6.809 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.018 5.698 4.233 1.00 0.00 H new ATOM 111 N PHE A 14 -24.335 2.789 4.612 1.00 0.00 N ATOM 112 CA PHE A 14 -24.802 1.448 4.160 1.00 0.00 C ATOM 113 C PHE A 14 -24.179 0.365 5.046 1.00 0.00 C ATOM 114 O PHE A 14 -24.331 -0.815 4.796 1.00 0.00 O ATOM 115 CB PHE A 14 -24.379 1.223 2.707 1.00 0.00 C ATOM 116 CG PHE A 14 -25.121 2.187 1.813 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.449 1.929 1.453 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.481 3.339 1.344 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.136 2.824 0.624 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.167 4.234 0.514 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.495 3.977 0.154 1.00 0.00 C ATOM 0 H PHE A 14 -23.570 3.189 4.069 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.888 1.398 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.304 1.368 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.592 0.196 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.944 1.040 1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.457 3.538 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.161 2.625 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.672 5.123 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.025 4.667 -0.486 1.00 0.00 H new ATOM 122 N MET A 15 -23.481 0.754 6.077 1.00 0.00 N ATOM 123 CA MET A 15 -22.852 -0.256 6.973 1.00 0.00 C ATOM 124 C MET A 15 -23.907 -0.804 7.939 1.00 0.00 C ATOM 125 O MET A 15 -24.590 -0.058 8.612 1.00 0.00 O ATOM 126 CB MET A 15 -21.720 0.399 7.765 1.00 0.00 C ATOM 127 CG MET A 15 -20.382 -0.195 7.324 1.00 0.00 C ATOM 128 SD MET A 15 -19.156 0.041 8.634 1.00 0.00 S ATOM 129 CE MET A 15 -19.516 -1.475 9.552 1.00 0.00 C ATOM 0 H MET A 15 -23.319 1.727 6.337 1.00 0.00 H new ATOM 0 HA MET A 15 -22.447 -1.073 6.376 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.723 1.477 7.602 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.868 0.238 8.833 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.497 -1.257 7.106 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.045 0.284 6.405 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.008 -1.446 10.516 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.591 -1.558 9.711 1.00 0.00 H new ATOM 0 HE3 MET A 15 -19.166 -2.337 8.983 1.00 0.00 H new ATOM 130 N LYS A 16 -24.046 -2.099 8.016 1.00 0.00 N ATOM 131 CA LYS A 16 -25.061 -2.685 8.939 1.00 0.00 C ATOM 132 C LYS A 16 -24.419 -3.793 9.776 1.00 0.00 C ATOM 133 O LYS A 16 -23.498 -4.454 9.342 1.00 0.00 O ATOM 134 CB LYS A 16 -26.214 -3.266 8.120 1.00 0.00 C ATOM 135 CG LYS A 16 -26.941 -2.131 7.397 1.00 0.00 C ATOM 136 CD LYS A 16 -28.207 -2.674 6.732 1.00 0.00 C ATOM 137 CE LYS A 16 -28.830 -1.582 5.860 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.722 -0.729 6.696 1.00 0.00 N ATOM 0 H LYS A 16 -23.502 -2.776 7.481 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.439 -1.907 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.834 -3.989 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.906 -3.800 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.199 -1.342 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.287 -1.686 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.967 -3.547 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.919 -3.000 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.048 -0.974 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.398 -2.032 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.146 0.014 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.475 -1.315 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.168 -0.290 7.458 1.00 0.00 H new ATOM 139 N ASN A 17 -24.896 -4.000 10.974 1.00 0.00 N ATOM 140 CA ASN A 17 -24.305 -5.063 11.834 1.00 0.00 C ATOM 141 C ASN A 17 -22.781 -4.971 11.770 1.00 0.00 C ATOM 142 O ASN A 17 -22.086 -5.967 11.808 1.00 0.00 O ATOM 143 CB ASN A 17 -24.751 -6.438 11.332 1.00 0.00 C ATOM 144 CG ASN A 17 -24.695 -7.443 12.486 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.579 -7.061 13.633 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.771 -8.720 12.227 1.00 0.00 N ATOM 0 H ASN A 17 -25.667 -3.480 11.393 1.00 0.00 H new ATOM 0 HA ASN A 17 -24.640 -4.928 12.862 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -25.764 -6.381 10.934 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -24.106 -6.767 10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.733 -9.398 12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.868 -9.040 11.263 1.00 0.00 H new ATOM 147 N GLY A 18 -22.255 -3.782 11.661 1.00 0.00 N ATOM 148 CA GLY A 18 -20.776 -3.630 11.585 1.00 0.00 C ATOM 149 C GLY A 18 -20.286 -4.246 10.275 1.00 0.00 C ATOM 150 O GLY A 18 -19.195 -4.773 10.190 1.00 0.00 O ATOM 0 H GLY A 18 -22.785 -2.911 11.621 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.502 -2.576 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.302 -4.122 12.434 1.00 0.00 H new ATOM 151 N LYS A 19 -21.095 -4.185 9.254 1.00 0.00 N ATOM 152 CA LYS A 19 -20.695 -4.767 7.945 1.00 0.00 C ATOM 153 C LYS A 19 -21.014 -3.772 6.830 1.00 0.00 C ATOM 154 O LYS A 19 -21.945 -2.999 6.927 1.00 0.00 O ATOM 155 CB LYS A 19 -21.471 -6.062 7.709 1.00 0.00 C ATOM 156 CG LYS A 19 -20.846 -6.824 6.539 1.00 0.00 C ATOM 157 CD LYS A 19 -21.931 -7.172 5.519 1.00 0.00 C ATOM 158 CE LYS A 19 -21.534 -8.446 4.769 1.00 0.00 C ATOM 159 NZ LYS A 19 -21.915 -8.318 3.334 1.00 0.00 N ATOM 0 H LYS A 19 -22.020 -3.755 9.271 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.626 -4.979 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.454 -6.678 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.516 -5.839 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.071 -6.218 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.365 -7.734 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.887 -7.316 6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.062 -6.349 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.461 -8.613 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -22.029 -9.310 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.645 -9.184 2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.943 -8.178 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.423 -7.503 2.916 1.00 0.00 H new ATOM 160 N LEU A 20 -20.251 -3.784 5.773 1.00 0.00 N ATOM 161 CA LEU A 20 -20.513 -2.835 4.656 1.00 0.00 C ATOM 162 C LEU A 20 -21.342 -3.530 3.575 1.00 0.00 C ATOM 163 O LEU A 20 -20.899 -4.472 2.948 1.00 0.00 O ATOM 164 CB LEU A 20 -19.181 -2.379 4.058 1.00 0.00 C ATOM 165 CG LEU A 20 -19.443 -1.502 2.831 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.737 -0.070 3.280 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.207 -1.506 1.931 1.00 0.00 C ATOM 0 H LEU A 20 -19.458 -4.410 5.634 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.062 -1.972 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.609 -1.822 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.581 -3.245 3.777 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.298 -1.894 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.923 0.554 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.616 -0.064 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.881 0.322 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.392 -0.882 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.353 -1.113 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.994 -2.526 1.610 1.00 0.00 H new ATOM 168 N PHE A 21 -22.542 -3.073 3.349 1.00 0.00 N ATOM 169 CA PHE A 21 -23.395 -3.707 2.305 1.00 0.00 C ATOM 170 C PHE A 21 -23.295 -2.902 1.007 1.00 0.00 C ATOM 171 O PHE A 21 -23.833 -1.820 0.894 1.00 0.00 O ATOM 172 CB PHE A 21 -24.849 -3.731 2.776 1.00 0.00 C ATOM 173 CG PHE A 21 -25.033 -4.838 3.786 1.00 0.00 C ATOM 174 CD1 PHE A 21 -24.662 -4.639 5.121 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.577 -6.064 3.385 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.835 -5.666 6.055 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.750 -7.091 4.320 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.379 -6.892 5.656 1.00 0.00 C ATOM 0 H PHE A 21 -22.969 -2.288 3.842 1.00 0.00 H new ATOM 0 HA PHE A 21 -23.053 -4.727 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -25.114 -2.772 3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.515 -3.885 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -24.242 -3.693 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.863 -6.217 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -24.548 -5.513 7.085 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.170 -8.037 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.513 -7.684 6.378 1.00 0.00 H new ATOM 179 N CYS A 22 -22.607 -3.423 0.028 1.00 0.00 N ATOM 180 CA CYS A 22 -22.472 -2.687 -1.261 1.00 0.00 C ATOM 181 C CYS A 22 -23.379 -3.324 -2.317 1.00 0.00 C ATOM 182 O CYS A 22 -22.919 -4.002 -3.214 1.00 0.00 O ATOM 183 CB CYS A 22 -21.018 -2.755 -1.731 1.00 0.00 C ATOM 184 SG CYS A 22 -19.929 -2.266 -0.371 1.00 0.00 S ATOM 0 H CYS A 22 -22.133 -4.325 0.065 1.00 0.00 H new ATOM 0 HA CYS A 22 -22.764 -1.647 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.777 -3.766 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.869 -2.097 -2.587 1.00 0.00 H new ATOM 185 N PRO A 23 -24.695 -3.097 -2.203 1.00 0.00 N ATOM 186 CA PRO A 23 -25.679 -3.645 -3.145 1.00 0.00 C ATOM 187 C PRO A 23 -25.573 -2.989 -4.525 1.00 0.00 C ATOM 188 O PRO A 23 -25.104 -1.875 -4.658 1.00 0.00 O ATOM 189 CB PRO A 23 -27.022 -3.293 -2.504 1.00 0.00 C ATOM 190 CG PRO A 23 -26.730 -2.104 -1.653 1.00 0.00 C ATOM 191 CD PRO A 23 -25.329 -2.291 -1.145 1.00 0.00 C ATOM 0 HA PRO A 23 -25.535 -4.713 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.775 -3.065 -3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.407 -4.121 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.816 -1.182 -2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.438 -2.032 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.820 -1.337 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.314 -2.804 -0.184 1.00 0.00 H new ATOM 192 N GLN A 24 -26.005 -3.669 -5.551 1.00 0.00 N ATOM 193 CA GLN A 24 -25.929 -3.081 -6.918 1.00 0.00 C ATOM 194 C GLN A 24 -26.950 -1.949 -7.042 1.00 0.00 C ATOM 195 O GLN A 24 -26.771 -1.019 -7.804 1.00 0.00 O ATOM 196 CB GLN A 24 -26.234 -4.161 -7.957 1.00 0.00 C ATOM 197 CG GLN A 24 -25.136 -5.225 -7.920 1.00 0.00 C ATOM 198 CD GLN A 24 -25.496 -6.364 -8.875 1.00 0.00 C ATOM 199 OE1 GLN A 24 -26.646 -6.539 -9.225 1.00 0.00 O ATOM 200 NE2 GLN A 24 -24.553 -7.153 -9.313 1.00 0.00 N ATOM 0 H GLN A 24 -26.407 -4.605 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.927 -2.687 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.203 -4.615 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.294 -3.718 -8.951 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -24.180 -4.786 -8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.021 -5.609 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -23.587 -7.006 -9.019 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -24.782 -7.917 -9.949 1.00 0.00 H new ATOM 201 N ASP A 25 -28.020 -2.017 -6.298 1.00 0.00 N ATOM 202 CA ASP A 25 -29.050 -0.944 -6.372 1.00 0.00 C ATOM 203 C ASP A 25 -28.371 0.423 -6.258 1.00 0.00 C ATOM 204 O ASP A 25 -28.745 1.370 -6.923 1.00 0.00 O ATOM 205 CB ASP A 25 -30.046 -1.115 -5.223 1.00 0.00 C ATOM 206 CG ASP A 25 -30.855 -2.396 -5.436 1.00 0.00 C ATOM 207 OD1 ASP A 25 -30.778 -2.949 -6.521 1.00 0.00 O ATOM 208 OD2 ASP A 25 -31.538 -2.803 -4.510 1.00 0.00 O ATOM 0 H ASP A 25 -28.225 -2.770 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 25 -29.577 -1.010 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -29.516 -1.161 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -30.713 -0.254 -5.175 1.00 0.00 H new ATOM 209 N LYS A 26 -27.376 0.535 -5.422 1.00 0.00 N ATOM 210 CA LYS A 26 -26.673 1.840 -5.268 1.00 0.00 C ATOM 211 C LYS A 26 -26.209 2.334 -6.640 1.00 0.00 C ATOM 212 O LYS A 26 -25.716 1.574 -7.449 1.00 0.00 O ATOM 213 CB LYS A 26 -25.460 1.660 -4.352 1.00 0.00 C ATOM 214 CG LYS A 26 -24.882 3.030 -3.993 1.00 0.00 C ATOM 215 CD LYS A 26 -23.669 2.849 -3.078 1.00 0.00 C ATOM 216 CE LYS A 26 -23.195 4.215 -2.581 1.00 0.00 C ATOM 217 NZ LYS A 26 -22.042 4.673 -3.409 1.00 0.00 N ATOM 0 H LYS A 26 -27.019 -0.221 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.353 2.571 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -25.751 1.128 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.703 1.053 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.591 3.562 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.639 3.637 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.930 2.213 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.865 2.348 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.009 4.938 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.901 4.151 -1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.719 5.602 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.264 3.987 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -22.337 4.750 -4.403 1.00 0.00 H new ATOM 218 N LYS A 27 -26.362 3.601 -6.910 1.00 0.00 N ATOM 219 CA LYS A 27 -25.929 4.138 -8.231 1.00 0.00 C ATOM 220 C LYS A 27 -24.413 3.978 -8.374 1.00 0.00 C ATOM 221 O LYS A 27 -23.655 4.367 -7.509 1.00 0.00 O ATOM 222 CB LYS A 27 -26.296 5.619 -8.329 1.00 0.00 C ATOM 223 CG LYS A 27 -25.991 6.310 -6.998 1.00 0.00 C ATOM 224 CD LYS A 27 -25.796 7.809 -7.237 1.00 0.00 C ATOM 225 CE LYS A 27 -25.735 8.536 -5.892 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.727 9.631 -5.966 1.00 0.00 N ATOM 0 H LYS A 27 -26.768 4.287 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.431 3.588 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.733 6.092 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -27.353 5.727 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -26.807 6.146 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.094 5.882 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.878 7.982 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.616 8.202 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.714 8.945 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.470 7.836 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.684 10.126 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -23.793 9.229 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.999 10.303 -6.712 1.00 0.00 H new ATOM 227 N PRO A 28 -23.971 3.385 -9.493 1.00 0.00 N ATOM 228 CA PRO A 28 -22.545 3.160 -9.763 1.00 0.00 C ATOM 229 C PRO A 28 -21.803 4.465 -10.068 1.00 0.00 C ATOM 230 O PRO A 28 -22.213 5.247 -10.901 1.00 0.00 O ATOM 231 CB PRO A 28 -22.553 2.268 -11.004 1.00 0.00 C ATOM 232 CG PRO A 28 -23.851 2.567 -11.676 1.00 0.00 C ATOM 233 CD PRO A 28 -24.830 2.887 -10.581 1.00 0.00 C ATOM 0 HA PRO A 28 -22.035 2.723 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.709 2.490 -11.657 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.480 1.214 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.748 3.407 -12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.190 1.714 -12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.555 3.637 -10.896 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.395 2.006 -10.276 1.00 0.00 H new ATOM 234 N ILE A 29 -20.705 4.698 -9.402 1.00 0.00 N ATOM 235 CA ILE A 29 -19.923 5.943 -9.652 1.00 0.00 C ATOM 236 C ILE A 29 -18.555 5.564 -10.221 1.00 0.00 C ATOM 237 O ILE A 29 -17.996 4.542 -9.878 1.00 0.00 O ATOM 238 CB ILE A 29 -19.741 6.701 -8.332 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.232 8.122 -8.616 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.742 5.954 -7.439 1.00 0.00 C ATOM 241 CD1 ILE A 29 -17.769 8.080 -9.068 1.00 0.00 C ATOM 0 H ILE A 29 -20.314 4.078 -8.693 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.452 6.579 -10.362 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.700 6.763 -7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.845 8.588 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.326 8.736 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.616 6.496 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.118 4.952 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.781 5.882 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.420 9.093 -9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.158 7.633 -8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.686 7.484 -9.977 1.00 0.00 H new ATOM 242 N GLN A 30 -18.001 6.371 -11.081 1.00 0.00 N ATOM 243 CA GLN A 30 -16.667 6.030 -11.645 1.00 0.00 C ATOM 244 C GLN A 30 -15.600 6.410 -10.620 1.00 0.00 C ATOM 245 O GLN A 30 -15.372 7.570 -10.340 1.00 0.00 O ATOM 246 CB GLN A 30 -16.442 6.798 -12.952 1.00 0.00 C ATOM 247 CG GLN A 30 -14.950 6.806 -13.297 1.00 0.00 C ATOM 248 CD GLN A 30 -14.762 7.259 -14.746 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.624 7.905 -15.309 1.00 0.00 O ATOM 250 NE2 GLN A 30 -13.663 6.948 -15.378 1.00 0.00 N ATOM 0 H GLN A 30 -18.410 7.244 -11.415 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.611 4.963 -11.860 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.009 6.335 -13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.807 7.820 -12.852 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.414 7.475 -12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.529 5.810 -13.159 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.939 6.406 -14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.528 7.247 -16.344 1.00 0.00 H new ATOM 251 N SER A 31 -14.961 5.431 -10.044 1.00 0.00 N ATOM 252 CA SER A 31 -13.924 5.715 -9.016 1.00 0.00 C ATOM 253 C SER A 31 -12.606 6.113 -9.691 1.00 0.00 C ATOM 254 O SER A 31 -12.445 5.981 -10.888 1.00 0.00 O ATOM 255 CB SER A 31 -13.721 4.458 -8.171 1.00 0.00 C ATOM 256 OG SER A 31 -12.554 3.778 -8.605 1.00 0.00 O ATOM 0 H SER A 31 -15.114 4.442 -10.242 1.00 0.00 H new ATOM 0 HA SER A 31 -14.247 6.541 -8.382 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.628 4.726 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.589 3.804 -8.258 1.00 0.00 H new ATOM 0 HG SER A 31 -12.657 3.518 -9.544 1.00 0.00 H new ATOM 257 N LEU A 32 -11.668 6.617 -8.930 1.00 0.00 N ATOM 258 CA LEU A 32 -10.367 7.046 -9.526 1.00 0.00 C ATOM 259 C LEU A 32 -9.227 6.157 -9.020 1.00 0.00 C ATOM 260 O LEU A 32 -8.074 6.379 -9.330 1.00 0.00 O ATOM 261 CB LEU A 32 -10.083 8.496 -9.126 1.00 0.00 C ATOM 262 CG LEU A 32 -9.982 8.588 -7.601 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.513 8.516 -7.179 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.583 9.911 -7.124 1.00 0.00 C ATOM 0 H LEU A 32 -11.747 6.750 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.432 6.959 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.155 8.837 -9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.877 9.148 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.530 7.759 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.443 8.582 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.084 7.572 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.964 9.343 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.510 9.973 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.038 10.741 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.631 9.963 -7.420 1.00 0.00 H new ATOM 265 N ASP A 33 -9.535 5.155 -8.247 1.00 0.00 N ATOM 266 CA ASP A 33 -8.460 4.260 -7.728 1.00 0.00 C ATOM 267 C ASP A 33 -8.173 3.160 -8.749 1.00 0.00 C ATOM 268 O ASP A 33 -7.573 2.150 -8.438 1.00 0.00 O ATOM 269 CB ASP A 33 -8.922 3.620 -6.423 1.00 0.00 C ATOM 270 CG ASP A 33 -8.725 4.607 -5.271 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.144 5.653 -5.507 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.159 4.299 -4.173 1.00 0.00 O ATOM 0 H ASP A 33 -10.481 4.916 -7.951 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.556 4.844 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.972 3.336 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.357 2.707 -6.234 1.00 0.00 H new ATOM 273 N GLY A 34 -8.610 3.340 -9.961 1.00 0.00 N ATOM 274 CA GLY A 34 -8.380 2.299 -10.999 1.00 0.00 C ATOM 275 C GLY A 34 -9.573 1.343 -11.002 1.00 0.00 C ATOM 276 O GLY A 34 -9.733 0.534 -11.893 1.00 0.00 O ATOM 0 H GLY A 34 -9.118 4.165 -10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.263 2.761 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.459 1.754 -10.791 1.00 0.00 H new ATOM 277 N ILE A 35 -10.414 1.441 -10.010 1.00 0.00 N ATOM 278 CA ILE A 35 -11.605 0.552 -9.945 1.00 0.00 C ATOM 279 C ILE A 35 -12.829 1.330 -10.437 1.00 0.00 C ATOM 280 O ILE A 35 -12.790 2.536 -10.572 1.00 0.00 O ATOM 281 CB ILE A 35 -11.821 0.102 -8.498 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.592 -0.669 -8.012 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.049 -0.804 -8.422 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.517 -0.599 -6.484 1.00 0.00 C ATOM 0 H ILE A 35 -10.326 2.102 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.454 -0.326 -10.573 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.974 0.978 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.649 -1.708 -8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.688 -0.247 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.202 -1.124 -7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.927 -0.257 -8.766 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.896 -1.679 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.642 -1.148 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.440 0.442 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.416 -1.041 -6.055 1.00 0.00 H new ATOM 285 N MET A 36 -13.913 0.658 -10.710 1.00 0.00 N ATOM 286 CA MET A 36 -15.124 1.376 -11.196 1.00 0.00 C ATOM 287 C MET A 36 -16.277 1.184 -10.208 1.00 0.00 C ATOM 288 O MET A 36 -16.710 0.080 -9.951 1.00 0.00 O ATOM 289 CB MET A 36 -15.534 0.820 -12.561 1.00 0.00 C ATOM 290 CG MET A 36 -14.321 0.802 -13.494 1.00 0.00 C ATOM 291 SD MET A 36 -14.839 0.290 -15.152 1.00 0.00 S ATOM 292 CE MET A 36 -16.028 1.622 -15.448 1.00 0.00 C ATOM 0 H MET A 36 -14.012 -0.353 -10.618 1.00 0.00 H new ATOM 0 HA MET A 36 -14.896 2.438 -11.283 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.934 -0.188 -12.449 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.327 1.432 -12.991 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.865 1.791 -13.534 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.564 0.117 -13.111 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.039 1.216 -15.439 1.00 0.00 H new ATOM 0 HE2 MET A 36 -15.932 2.376 -14.666 1.00 0.00 H new ATOM 0 HE3 MET A 36 -15.829 2.078 -16.418 1.00 0.00 H new ATOM 293 N PHE A 37 -16.783 2.259 -9.664 1.00 0.00 N ATOM 294 CA PHE A 37 -17.923 2.161 -8.703 1.00 0.00 C ATOM 295 C PHE A 37 -17.544 1.286 -7.506 1.00 0.00 C ATOM 296 O PHE A 37 -17.289 1.780 -6.425 1.00 0.00 O ATOM 297 CB PHE A 37 -19.152 1.560 -9.396 1.00 0.00 C ATOM 298 CG PHE A 37 -19.012 1.638 -10.900 1.00 0.00 C ATOM 299 CD1 PHE A 37 -19.291 2.835 -11.565 1.00 0.00 C ATOM 300 CD2 PHE A 37 -18.603 0.513 -11.628 1.00 0.00 C ATOM 301 CE1 PHE A 37 -19.163 2.914 -12.954 1.00 0.00 C ATOM 302 CE2 PHE A 37 -18.474 0.591 -13.020 1.00 0.00 C ATOM 303 CZ PHE A 37 -18.752 1.792 -13.684 1.00 0.00 C ATOM 0 H PHE A 37 -16.454 3.207 -9.845 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.157 3.166 -8.353 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.275 0.521 -9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -20.049 2.093 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -19.607 3.702 -11.003 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -18.387 -0.413 -11.116 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -19.381 3.840 -13.465 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -18.160 -0.276 -13.582 1.00 0.00 H new ATOM 0 HZ PHE A 37 -18.650 1.853 -14.757 1.00 0.00 H new ATOM 304 N ILE A 38 -17.521 -0.007 -7.684 1.00 0.00 N ATOM 305 CA ILE A 38 -17.172 -0.916 -6.553 1.00 0.00 C ATOM 306 C ILE A 38 -16.016 -0.318 -5.747 1.00 0.00 C ATOM 307 O ILE A 38 -15.875 -0.574 -4.567 1.00 0.00 O ATOM 308 CB ILE A 38 -16.770 -2.289 -7.100 1.00 0.00 C ATOM 309 CG1 ILE A 38 -15.371 -2.210 -7.711 1.00 0.00 C ATOM 310 CG2 ILE A 38 -17.772 -2.718 -8.175 1.00 0.00 C ATOM 311 CD1 ILE A 38 -14.933 -3.608 -8.158 1.00 0.00 C ATOM 0 H ILE A 38 -17.729 -0.475 -8.566 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.039 -1.030 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.768 -3.017 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.371 -1.528 -8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.665 -1.811 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -17.489 -3.695 -8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.770 -2.776 -7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -17.772 -1.988 -8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.936 -3.555 -8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.917 -4.277 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -15.634 -3.989 -8.901 1.00 0.00 H new ATOM 312 N ASN A 39 -15.192 0.480 -6.372 1.00 0.00 N ATOM 313 CA ASN A 39 -14.053 1.098 -5.637 1.00 0.00 C ATOM 314 C ASN A 39 -14.531 1.592 -4.274 1.00 0.00 C ATOM 315 O ASN A 39 -14.028 1.189 -3.249 1.00 0.00 O ATOM 316 CB ASN A 39 -13.513 2.287 -6.430 1.00 0.00 C ATOM 317 CG ASN A 39 -12.129 2.667 -5.899 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.246 1.837 -5.825 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.898 3.897 -5.521 1.00 0.00 N ATOM 0 H ASN A 39 -15.259 0.730 -7.359 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.268 0.353 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.452 2.034 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.193 3.135 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.978 4.157 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.638 4.597 -5.582 1.00 0.00 H new ATOM 320 N LYS A 40 -15.496 2.471 -4.255 1.00 0.00 N ATOM 321 CA LYS A 40 -16.000 2.997 -2.954 1.00 0.00 C ATOM 322 C LYS A 40 -16.136 1.850 -1.957 1.00 0.00 C ATOM 323 O LYS A 40 -15.773 1.967 -0.805 1.00 0.00 O ATOM 324 CB LYS A 40 -17.366 3.656 -3.155 1.00 0.00 C ATOM 325 CG LYS A 40 -17.211 4.927 -3.990 1.00 0.00 C ATOM 326 CD LYS A 40 -18.485 5.765 -3.869 1.00 0.00 C ATOM 327 CE LYS A 40 -18.325 7.065 -4.658 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.658 7.511 -5.150 1.00 0.00 N ATOM 0 H LYS A 40 -15.957 2.847 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.295 3.735 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.044 2.963 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.809 3.897 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.350 5.500 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.027 4.671 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.339 5.202 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.687 5.987 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.882 7.835 -4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.647 6.913 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.532 8.223 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.178 6.695 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.197 7.927 -4.364 1.00 0.00 H new ATOM 329 N CYS A 41 -16.653 0.740 -2.395 1.00 0.00 N ATOM 330 CA CYS A 41 -16.812 -0.421 -1.479 1.00 0.00 C ATOM 331 C CYS A 41 -15.433 -0.980 -1.132 1.00 0.00 C ATOM 332 O CYS A 41 -15.073 -1.113 0.021 1.00 0.00 O ATOM 333 CB CYS A 41 -17.631 -1.503 -2.180 1.00 0.00 C ATOM 334 SG CYS A 41 -18.081 -2.791 -0.992 1.00 0.00 S ATOM 0 H CYS A 41 -16.974 0.585 -3.351 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.321 -0.105 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.530 -1.067 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.056 -1.935 -2.999 1.00 0.00 H new ATOM 335 N ALA A 42 -14.665 -1.315 -2.128 1.00 0.00 N ATOM 336 CA ALA A 42 -13.306 -1.876 -1.875 1.00 0.00 C ATOM 337 C ALA A 42 -12.404 -0.816 -1.238 1.00 0.00 C ATOM 338 O ALA A 42 -11.395 -1.130 -0.640 1.00 0.00 O ATOM 339 CB ALA A 42 -12.694 -2.329 -3.200 1.00 0.00 C ATOM 0 H ALA A 42 -14.919 -1.225 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.392 -2.723 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.701 -2.740 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.327 -3.094 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.618 -1.477 -3.876 1.00 0.00 H new ATOM 340 N THR A 43 -12.751 0.437 -1.359 1.00 0.00 N ATOM 341 CA THR A 43 -11.899 1.499 -0.758 1.00 0.00 C ATOM 342 C THR A 43 -12.512 1.955 0.564 1.00 0.00 C ATOM 343 O THR A 43 -11.835 2.074 1.566 1.00 0.00 O ATOM 344 CB THR A 43 -11.812 2.689 -1.718 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.118 3.040 -2.154 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.955 2.310 -2.926 1.00 0.00 C ATOM 0 H THR A 43 -13.584 0.769 -1.846 1.00 0.00 H new ATOM 0 HA THR A 43 -10.899 1.104 -0.578 1.00 0.00 H new ATOM 0 HB THR A 43 -11.359 3.537 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.641 2.226 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.894 3.157 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.953 2.040 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.406 1.462 -3.440 1.00 0.00 H new ATOM 347 N CYS A 44 -13.788 2.212 0.577 1.00 0.00 N ATOM 348 CA CYS A 44 -14.443 2.663 1.835 1.00 0.00 C ATOM 349 C CYS A 44 -14.261 1.601 2.920 1.00 0.00 C ATOM 350 O CYS A 44 -14.152 1.913 4.084 1.00 0.00 O ATOM 351 CB CYS A 44 -15.935 2.882 1.591 1.00 0.00 C ATOM 352 SG CYS A 44 -16.721 3.426 3.129 1.00 0.00 S ATOM 0 H CYS A 44 -14.407 2.129 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.986 3.598 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.082 3.629 0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.397 1.959 1.240 1.00 0.00 H new ATOM 353 N LYS A 45 -14.233 0.348 2.554 1.00 0.00 N ATOM 354 CA LYS A 45 -14.065 -0.715 3.586 1.00 0.00 C ATOM 355 C LYS A 45 -12.768 -0.474 4.358 1.00 0.00 C ATOM 356 O LYS A 45 -12.690 -0.710 5.548 1.00 0.00 O ATOM 357 CB LYS A 45 -14.017 -2.086 2.909 1.00 0.00 C ATOM 358 CG LYS A 45 -15.444 -2.594 2.693 1.00 0.00 C ATOM 359 CD LYS A 45 -15.417 -4.106 2.462 1.00 0.00 C ATOM 360 CE LYS A 45 -16.711 -4.538 1.769 1.00 0.00 C ATOM 361 NZ LYS A 45 -16.707 -6.017 1.583 1.00 0.00 N ATOM 0 H LYS A 45 -14.318 0.016 1.593 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.907 -0.687 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.496 -2.015 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.458 -2.789 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.060 -2.359 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.894 -2.092 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.556 -4.376 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.309 -4.628 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.573 -4.238 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.803 -4.040 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.587 -6.310 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.893 -6.291 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.639 -6.483 2.510 1.00 0.00 H new ATOM 362 N MET A 46 -11.755 0.008 3.697 1.00 0.00 N ATOM 363 CA MET A 46 -10.470 0.281 4.398 1.00 0.00 C ATOM 364 C MET A 46 -10.541 1.680 5.005 1.00 0.00 C ATOM 365 O MET A 46 -10.006 1.939 6.065 1.00 0.00 O ATOM 366 CB MET A 46 -9.311 0.207 3.399 1.00 0.00 C ATOM 367 CG MET A 46 -9.148 -1.234 2.912 1.00 0.00 C ATOM 368 SD MET A 46 -8.894 -2.328 4.331 1.00 0.00 S ATOM 369 CE MET A 46 -7.299 -1.656 4.856 1.00 0.00 C ATOM 0 H MET A 46 -11.761 0.225 2.700 1.00 0.00 H new ATOM 0 HA MET A 46 -10.305 -0.459 5.181 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.503 0.868 2.554 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.389 0.550 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.033 -1.543 2.355 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.301 -1.304 2.229 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.740 -2.423 5.392 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.732 -1.338 3.981 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.463 -0.801 5.512 1.00 0.00 H new ATOM 370 N ILE A 47 -11.216 2.581 4.343 1.00 0.00 N ATOM 371 CA ILE A 47 -11.343 3.961 4.882 1.00 0.00 C ATOM 372 C ILE A 47 -12.390 3.956 6.000 1.00 0.00 C ATOM 373 O ILE A 47 -12.442 4.849 6.822 1.00 0.00 O ATOM 374 CB ILE A 47 -11.781 4.910 3.761 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.846 4.746 2.561 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.719 6.356 4.255 1.00 0.00 C ATOM 377 CD1 ILE A 47 -11.420 5.500 1.360 1.00 0.00 C ATOM 0 H ILE A 47 -11.684 2.418 3.452 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.385 4.299 5.277 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.803 4.671 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.855 5.128 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.730 3.690 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.031 7.027 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.384 6.477 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.698 6.596 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.754 5.383 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.402 5.097 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.513 6.558 1.605 1.00 0.00 H new ATOM 378 N LEU A 48 -13.221 2.946 6.041 1.00 0.00 N ATOM 379 CA LEU A 48 -14.256 2.872 7.109 1.00 0.00 C ATOM 380 C LEU A 48 -13.559 2.673 8.455 1.00 0.00 C ATOM 381 O LEU A 48 -13.965 3.212 9.465 1.00 0.00 O ATOM 382 CB LEU A 48 -15.190 1.684 6.842 1.00 0.00 C ATOM 383 CG LEU A 48 -16.581 1.946 7.440 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.451 2.677 8.781 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.403 2.798 6.470 1.00 0.00 C ATOM 0 H LEU A 48 -13.225 2.170 5.379 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.840 3.792 7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.275 1.515 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.767 0.777 7.274 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.082 0.992 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.443 2.857 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.874 2.065 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.943 3.629 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.390 2.983 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.896 3.748 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.509 2.270 5.522 1.00 0.00 H new ATOM 386 N GLU A 49 -12.506 1.899 8.472 1.00 0.00 N ATOM 387 CA GLU A 49 -11.778 1.662 9.750 1.00 0.00 C ATOM 388 C GLU A 49 -11.120 2.965 10.210 1.00 0.00 C ATOM 389 O GLU A 49 -11.022 3.241 11.389 1.00 0.00 O ATOM 390 CB GLU A 49 -10.701 0.596 9.535 1.00 0.00 C ATOM 391 CG GLU A 49 -11.359 -0.714 9.096 1.00 0.00 C ATOM 392 CD GLU A 49 -10.284 -1.786 8.910 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.116 -1.436 8.926 1.00 0.00 O ATOM 394 OE2 GLU A 49 -10.648 -2.940 8.754 1.00 0.00 O ATOM 0 H GLU A 49 -12.120 1.422 7.657 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.481 1.320 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.990 0.929 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.138 0.442 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.085 -1.037 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.905 -0.565 8.164 1.00 0.00 H new ATOM 395 N LYS A 50 -10.667 3.768 9.286 1.00 0.00 N ATOM 396 CA LYS A 50 -10.016 5.053 9.669 1.00 0.00 C ATOM 397 C LYS A 50 -11.007 5.907 10.462 1.00 0.00 C ATOM 398 O LYS A 50 -10.643 6.587 11.401 1.00 0.00 O ATOM 399 CB LYS A 50 -9.588 5.805 8.408 1.00 0.00 C ATOM 400 CG LYS A 50 -8.648 4.922 7.582 1.00 0.00 C ATOM 401 CD LYS A 50 -7.366 4.659 8.375 1.00 0.00 C ATOM 402 CE LYS A 50 -6.360 3.925 7.486 1.00 0.00 C ATOM 403 NZ LYS A 50 -5.998 4.789 6.326 1.00 0.00 N ATOM 0 H LYS A 50 -10.720 3.590 8.283 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.139 4.848 10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.464 6.075 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.087 6.735 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.138 3.979 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.410 5.410 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.941 5.600 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.589 4.063 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.467 3.675 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.787 2.986 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.970 4.754 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.485 4.447 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.286 5.769 6.520 1.00 0.00 H new ATOM 404 N GLU A 51 -12.258 5.880 10.091 1.00 0.00 N ATOM 405 CA GLU A 51 -13.270 6.692 10.823 1.00 0.00 C ATOM 406 C GLU A 51 -13.337 6.227 12.279 1.00 0.00 C ATOM 407 O GLU A 51 -13.580 7.007 13.179 1.00 0.00 O ATOM 408 CB GLU A 51 -14.640 6.512 10.166 1.00 0.00 C ATOM 409 CG GLU A 51 -14.595 7.050 8.735 1.00 0.00 C ATOM 410 CD GLU A 51 -15.977 6.909 8.093 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.816 6.247 8.681 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.170 7.464 7.024 1.00 0.00 O ATOM 0 H GLU A 51 -12.623 5.331 9.313 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.987 7.744 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.917 5.458 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.402 7.039 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.289 8.096 8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.854 6.503 8.152 1.00 0.00 H new ATOM 413 N ALA A 52 -13.121 4.963 12.519 1.00 0.00 N ATOM 414 CA ALA A 52 -13.173 4.450 13.917 1.00 0.00 C ATOM 415 C ALA A 52 -12.094 5.143 14.752 1.00 0.00 C ATOM 416 O ALA A 52 -12.219 5.283 15.953 1.00 0.00 O ATOM 417 CB ALA A 52 -12.926 2.941 13.916 1.00 0.00 C ATOM 0 H ALA A 52 -12.911 4.263 11.807 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.154 4.656 14.345 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.964 2.565 14.939 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.693 2.447 13.319 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.945 2.733 13.489 1.00 0.00 H new ATOM 418 N LYS A 53 -11.035 5.578 14.126 1.00 0.00 N ATOM 419 CA LYS A 53 -9.950 6.262 14.884 1.00 0.00 C ATOM 420 C LYS A 53 -10.524 7.478 15.612 1.00 0.00 C ATOM 421 O LYS A 53 -10.065 7.854 16.672 1.00 0.00 O ATOM 422 CB LYS A 53 -8.858 6.717 13.913 1.00 0.00 C ATOM 423 CG LYS A 53 -8.217 5.494 13.254 1.00 0.00 C ATOM 424 CD LYS A 53 -7.066 5.945 12.353 1.00 0.00 C ATOM 425 CE LYS A 53 -6.497 4.736 11.608 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.338 4.186 12.366 1.00 0.00 N ATOM 0 H LYS A 53 -10.874 5.489 13.123 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.524 5.571 15.612 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.283 7.372 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.102 7.295 14.445 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.849 4.808 14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.960 4.952 12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.418 6.691 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.286 6.417 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.266 3.972 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.184 5.027 10.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.951 3.364 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.603 4.916 12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.650 3.893 13.314 1.00 0.00 H new ATOM 427 N SER A 54 -11.527 8.098 15.051 1.00 0.00 N ATOM 428 CA SER A 54 -12.130 9.289 15.710 1.00 0.00 C ATOM 429 C SER A 54 -12.636 8.900 17.101 1.00 0.00 C ATOM 430 O SER A 54 -12.693 9.713 18.001 1.00 0.00 O ATOM 431 CB SER A 54 -13.300 9.802 14.867 1.00 0.00 C ATOM 432 OG SER A 54 -12.861 10.021 13.534 1.00 0.00 O ATOM 0 H SER A 54 -11.954 7.830 14.164 1.00 0.00 H new ATOM 0 HA SER A 54 -11.378 10.073 15.802 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.116 9.079 14.879 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.689 10.728 15.290 1.00 0.00 H new ATOM 0 HG SER A 54 -12.955 9.193 13.018 1.00 0.00 H new ATOM 433 N GLN A 55 -13.004 7.662 17.282 1.00 0.00 N ATOM 434 CA GLN A 55 -13.506 7.221 18.614 1.00 0.00 C ATOM 435 C GLN A 55 -12.323 7.003 19.558 1.00 0.00 C ATOM 436 O GLN A 55 -11.636 7.968 19.847 1.00 0.00 O ATOM 437 CB GLN A 55 -14.283 5.912 18.459 1.00 0.00 C ATOM 438 CG GLN A 55 -14.884 5.513 19.808 1.00 0.00 C ATOM 439 CD GLN A 55 -15.679 4.216 19.649 1.00 0.00 C ATOM 440 OE1 GLN A 55 -15.890 3.750 18.547 1.00 0.00 O ATOM 441 NE2 GLN A 55 -16.132 3.608 20.712 1.00 0.00 N ATOM 442 OXT GLN A 55 -12.123 5.875 19.976 1.00 0.00 O ATOM 0 H GLN A 55 -12.979 6.937 16.565 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.163 7.987 19.026 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.073 6.031 17.718 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.622 5.125 18.096 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -14.092 5.379 20.545 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.533 6.307 20.178 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.955 3.999 21.637 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.663 2.742 20.617 1.00 0.00 H new TER 443 GLN A 55