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 39 ASN : amide:sc= -10.1! C(o=-11!,f=-20!) USER MOD Set 1.2: A 43 THR OG1 : rot -79:sc= -0.418! USER MOD Set 2.1: A 30 GLN : amide:sc= 0 K(o=-0.15,f=-1.5!) USER MOD Set 2.2: A 36 MET CE :methyl 143:sc= -0.154 (180deg=-0.918) USER MOD Single : A 1 LYS N :NH3+ -171:sc= -0.0931 (180deg=-0.262) 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=-1.5!) USER MOD Single : A 5 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.5!) USER MOD Single : A 7 MET CE :methyl -151:sc= -5.39! (180deg=-8.09!) USER MOD Single : A 9 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.2!) USER MOD Single : A 15 MET CE :methyl -169:sc= -4.66 (180deg=-6.15!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0851 K(o=-0.085,f=-2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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 31 SER OG : rot -43:sc= -3.34! USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= 0.0964 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.184 (180deg=-1.42!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -45:sc= 1.27 USER MOD Single : A 55 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.661 16.989 -3.798 1.00 0.00 N ATOM 2 CA LYS A 1 -8.846 16.844 -2.558 1.00 0.00 C ATOM 3 C LYS A 1 -9.436 15.733 -1.687 1.00 0.00 C ATOM 4 O LYS A 1 -10.310 15.965 -0.877 1.00 0.00 O ATOM 5 CB LYS A 1 -8.860 18.163 -1.781 1.00 0.00 C ATOM 6 CG LYS A 1 -8.152 19.244 -2.599 1.00 0.00 C ATOM 7 CD LYS A 1 -8.052 20.527 -1.771 1.00 0.00 C ATOM 8 CE LYS A 1 -7.459 21.644 -2.632 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.419 22.909 -1.845 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.178 17.632 -4.457 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.779 16.058 -4.247 1.00 0.00 H new ATOM 0 H3 LYS A 1 -10.595 17.378 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.820 16.590 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.887 18.464 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.363 18.036 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.156 18.905 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.701 19.435 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.038 20.817 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.427 20.359 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.454 21.373 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.059 21.782 -3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.016 23.669 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.384 23.169 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.829 22.773 -0.999 1.00 0.00 H new ATOM 10 N ASN A 2 -8.966 14.526 -1.851 1.00 0.00 N ATOM 11 CA ASN A 2 -9.502 13.403 -1.033 1.00 0.00 C ATOM 12 C ASN A 2 -10.996 13.235 -1.316 1.00 0.00 C ATOM 13 O ASN A 2 -11.792 13.052 -0.417 1.00 0.00 O ATOM 14 CB ASN A 2 -9.294 13.708 0.452 1.00 0.00 C ATOM 15 CG ASN A 2 -7.797 13.831 0.742 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.978 13.363 -0.023 1.00 0.00 O ATOM 17 ND2 ASN A 2 -7.401 14.446 1.824 1.00 0.00 N ATOM 0 H ASN A 2 -8.235 14.270 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.978 12.483 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.804 14.633 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.730 12.916 1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.405 14.533 2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.088 14.840 2.467 1.00 0.00 H new ATOM 18 N GLU A 3 -11.383 13.295 -2.561 1.00 0.00 N ATOM 19 CA GLU A 3 -12.824 13.141 -2.903 1.00 0.00 C ATOM 20 C GLU A 3 -13.285 11.727 -2.547 1.00 0.00 C ATOM 21 O GLU A 3 -14.434 11.501 -2.220 1.00 0.00 O ATOM 22 CB GLU A 3 -13.020 13.378 -4.403 1.00 0.00 C ATOM 23 CG GLU A 3 -12.638 14.819 -4.746 1.00 0.00 C ATOM 24 CD GLU A 3 -12.875 15.069 -6.236 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.140 14.109 -6.943 1.00 0.00 O ATOM 26 OE2 GLU A 3 -12.789 16.214 -6.647 1.00 0.00 O ATOM 0 H GLU A 3 -10.762 13.444 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.410 13.867 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.407 12.682 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.058 13.190 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.230 15.515 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.592 14.998 -4.498 1.00 0.00 H new ATOM 27 N ASP A 4 -12.399 10.771 -2.606 1.00 0.00 N ATOM 28 CA ASP A 4 -12.789 9.373 -2.270 1.00 0.00 C ATOM 29 C ASP A 4 -13.252 9.311 -0.813 1.00 0.00 C ATOM 30 O ASP A 4 -14.054 8.477 -0.441 1.00 0.00 O ATOM 31 CB ASP A 4 -11.589 8.445 -2.467 1.00 0.00 C ATOM 32 CG ASP A 4 -12.054 6.989 -2.396 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.250 6.775 -2.278 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.208 6.113 -2.461 1.00 0.00 O ATOM 0 H ASP A 4 -11.423 10.898 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.601 9.055 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.118 8.641 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.838 8.636 -1.700 1.00 0.00 H new ATOM 35 N GLN A 5 -12.756 10.189 0.016 1.00 0.00 N ATOM 36 CA GLN A 5 -13.170 10.179 1.447 1.00 0.00 C ATOM 37 C GLN A 5 -14.639 10.597 1.552 1.00 0.00 C ATOM 38 O GLN A 5 -15.345 10.200 2.458 1.00 0.00 O ATOM 39 CB GLN A 5 -12.303 11.162 2.237 1.00 0.00 C ATOM 40 CG GLN A 5 -10.862 10.650 2.278 1.00 0.00 C ATOM 41 CD GLN A 5 -9.986 11.656 3.027 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.378 12.788 3.230 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.807 11.289 3.450 1.00 0.00 N ATOM 0 H GLN A 5 -12.082 10.912 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.045 9.176 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.337 12.148 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.690 11.273 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.823 9.679 2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.486 10.507 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.477 10.339 3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.216 11.952 3.951 1.00 0.00 H new ATOM 44 N GLU A 6 -15.104 11.393 0.629 1.00 0.00 N ATOM 45 CA GLU A 6 -16.526 11.837 0.673 1.00 0.00 C ATOM 46 C GLU A 6 -17.444 10.620 0.535 1.00 0.00 C ATOM 47 O GLU A 6 -18.451 10.510 1.205 1.00 0.00 O ATOM 48 CB GLU A 6 -16.789 12.812 -0.476 1.00 0.00 C ATOM 49 CG GLU A 6 -18.153 13.478 -0.280 1.00 0.00 C ATOM 50 CD GLU A 6 -18.409 14.461 -1.424 1.00 0.00 C ATOM 51 OE1 GLU A 6 -17.529 14.615 -2.255 1.00 0.00 O ATOM 52 OE2 GLU A 6 -19.479 15.045 -1.448 1.00 0.00 O ATOM 0 H GLU A 6 -14.560 11.755 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.725 12.334 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.005 13.568 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.765 12.283 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.938 12.722 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.181 14.001 0.676 1.00 0.00 H new ATOM 53 N MET A 7 -17.104 9.705 -0.333 1.00 0.00 N ATOM 54 CA MET A 7 -17.957 8.496 -0.516 1.00 0.00 C ATOM 55 C MET A 7 -17.936 7.655 0.761 1.00 0.00 C ATOM 56 O MET A 7 -18.856 6.915 1.044 1.00 0.00 O ATOM 57 CB MET A 7 -17.412 7.662 -1.677 1.00 0.00 C ATOM 58 CG MET A 7 -17.834 8.297 -3.004 1.00 0.00 C ATOM 59 SD MET A 7 -17.086 7.387 -4.381 1.00 0.00 S ATOM 60 CE MET A 7 -15.406 7.285 -3.714 1.00 0.00 C ATOM 0 H MET A 7 -16.273 9.743 -0.923 1.00 0.00 H new ATOM 0 HA MET A 7 -18.980 8.805 -0.732 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.325 7.604 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.789 6.641 -1.614 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.920 8.285 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.523 9.341 -3.034 1.00 0.00 H new ATOM 0 HE1 MET A 7 -14.690 7.247 -4.535 1.00 0.00 H new ATOM 0 HE2 MET A 7 -15.205 8.162 -3.098 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.310 6.385 -3.107 1.00 0.00 H new ATOM 61 N CYS A 8 -16.890 7.759 1.535 1.00 0.00 N ATOM 62 CA CYS A 8 -16.813 6.961 2.789 1.00 0.00 C ATOM 63 C CYS A 8 -17.871 7.460 3.773 1.00 0.00 C ATOM 64 O CYS A 8 -18.309 6.739 4.648 1.00 0.00 O ATOM 65 CB CYS A 8 -15.421 7.111 3.402 1.00 0.00 C ATOM 66 SG CYS A 8 -14.166 6.863 2.117 1.00 0.00 S ATOM 0 H CYS A 8 -16.087 8.361 1.353 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.996 5.909 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.312 8.101 3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.285 6.385 4.204 1.00 0.00 H new ATOM 67 N HIS A 9 -18.292 8.686 3.632 1.00 0.00 N ATOM 68 CA HIS A 9 -19.331 9.224 4.552 1.00 0.00 C ATOM 69 C HIS A 9 -20.685 8.621 4.170 1.00 0.00 C ATOM 70 O HIS A 9 -21.409 8.114 5.003 1.00 0.00 O ATOM 71 CB HIS A 9 -19.379 10.753 4.422 1.00 0.00 C ATOM 72 CG HIS A 9 -20.673 11.272 4.989 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.891 11.041 4.371 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.956 12.010 6.112 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.843 11.628 5.118 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.327 12.233 6.191 1.00 0.00 N ATOM 0 H HIS A 9 -17.962 9.338 2.920 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.095 8.963 5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.536 11.199 4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.289 11.041 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.226 12.363 6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.896 11.612 4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.830 12.748 6.913 1.00 0.00 H new ATOM 77 N GLU A 10 -21.029 8.672 2.912 1.00 0.00 N ATOM 78 CA GLU A 10 -22.333 8.101 2.469 1.00 0.00 C ATOM 79 C GLU A 10 -22.318 6.581 2.656 1.00 0.00 C ATOM 80 O GLU A 10 -23.336 5.971 2.914 1.00 0.00 O ATOM 81 CB GLU A 10 -22.557 8.435 0.993 1.00 0.00 C ATOM 82 CG GLU A 10 -22.782 9.942 0.844 1.00 0.00 C ATOM 83 CD GLU A 10 -23.152 10.263 -0.606 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.099 9.359 -1.424 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.483 11.406 -0.873 1.00 0.00 O ATOM 0 H GLU A 10 -20.463 9.085 2.171 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.139 8.528 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.695 8.124 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.419 7.887 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.577 10.270 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.881 10.485 1.129 1.00 0.00 H new ATOM 86 N PHE A 11 -21.172 5.962 2.533 1.00 0.00 N ATOM 87 CA PHE A 11 -21.107 4.485 2.711 1.00 0.00 C ATOM 88 C PHE A 11 -20.943 4.168 4.199 1.00 0.00 C ATOM 89 O PHE A 11 -21.092 3.040 4.624 1.00 0.00 O ATOM 90 CB PHE A 11 -19.922 3.917 1.922 1.00 0.00 C ATOM 91 CG PHE A 11 -20.437 3.188 0.701 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.633 3.601 0.097 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.728 2.098 0.172 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.117 2.931 -1.032 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.215 1.430 -0.957 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.409 1.846 -1.559 1.00 0.00 C ATOM 0 H PHE A 11 -20.284 6.415 2.318 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.025 4.030 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.250 4.722 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.345 3.237 2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.182 4.438 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.808 1.775 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.038 3.252 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.669 0.592 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.783 1.329 -2.430 1.00 0.00 H new ATOM 97 N GLN A 12 -20.650 5.160 4.996 1.00 0.00 N ATOM 98 CA GLN A 12 -20.492 4.918 6.458 1.00 0.00 C ATOM 99 C GLN A 12 -21.876 4.723 7.077 1.00 0.00 C ATOM 100 O GLN A 12 -22.054 3.946 7.995 1.00 0.00 O ATOM 101 CB GLN A 12 -19.805 6.121 7.108 1.00 0.00 C ATOM 102 CG GLN A 12 -19.772 5.928 8.626 1.00 0.00 C ATOM 103 CD GLN A 12 -19.115 7.143 9.282 1.00 0.00 C ATOM 104 OE1 GLN A 12 -18.645 8.034 8.603 1.00 0.00 O ATOM 105 NE2 GLN A 12 -19.062 7.217 10.584 1.00 0.00 N ATOM 0 H GLN A 12 -20.513 6.126 4.698 1.00 0.00 H new ATOM 0 HA GLN A 12 -19.883 4.029 6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -18.791 6.228 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.339 7.038 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.784 5.798 9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.218 5.023 8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.457 6.469 11.154 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.626 8.023 11.032 1.00 0.00 H new ATOM 106 N ALA A 13 -22.862 5.416 6.574 1.00 0.00 N ATOM 107 CA ALA A 13 -24.237 5.264 7.123 1.00 0.00 C ATOM 108 C ALA A 13 -24.829 3.948 6.617 1.00 0.00 C ATOM 109 O ALA A 13 -25.732 3.391 7.210 1.00 0.00 O ATOM 110 CB ALA A 13 -25.107 6.434 6.657 1.00 0.00 C ATOM 0 H ALA A 13 -22.773 6.081 5.806 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.203 5.258 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.114 6.322 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.677 7.371 7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.151 6.444 5.568 1.00 0.00 H new ATOM 111 N PHE A 14 -24.317 3.443 5.527 1.00 0.00 N ATOM 112 CA PHE A 14 -24.838 2.157 4.983 1.00 0.00 C ATOM 113 C PHE A 14 -24.116 0.995 5.669 1.00 0.00 C ATOM 114 O PHE A 14 -24.207 -0.141 5.249 1.00 0.00 O ATOM 115 CB PHE A 14 -24.580 2.093 3.476 1.00 0.00 C ATOM 116 CG PHE A 14 -25.141 3.326 2.807 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.241 3.989 3.363 1.00 0.00 C ATOM 118 CD2 PHE A 14 -24.561 3.803 1.625 1.00 0.00 C ATOM 119 CE1 PHE A 14 -26.760 5.130 2.738 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.080 4.943 1.000 1.00 0.00 C ATOM 121 CZ PHE A 14 -26.180 5.607 1.557 1.00 0.00 C ATOM 0 H PHE A 14 -23.560 3.866 4.990 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.910 2.090 5.169 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.510 2.019 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.041 1.199 3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.690 3.621 4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.713 3.291 1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -27.608 5.642 3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.632 5.310 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 14 -26.581 6.487 1.075 1.00 0.00 H new ATOM 122 N MET A 15 -23.395 1.274 6.722 1.00 0.00 N ATOM 123 CA MET A 15 -22.662 0.190 7.435 1.00 0.00 C ATOM 124 C MET A 15 -23.633 -0.564 8.346 1.00 0.00 C ATOM 125 O MET A 15 -24.334 0.027 9.143 1.00 0.00 O ATOM 126 CB MET A 15 -21.546 0.807 8.282 1.00 0.00 C ATOM 127 CG MET A 15 -20.189 0.512 7.640 1.00 0.00 C ATOM 128 SD MET A 15 -18.867 1.001 8.775 1.00 0.00 S ATOM 129 CE MET A 15 -19.597 2.569 9.310 1.00 0.00 C ATOM 0 H MET A 15 -23.282 2.207 7.119 1.00 0.00 H new ATOM 0 HA MET A 15 -22.232 -0.500 6.709 1.00 0.00 H new ATOM 0 HB2 MET A 15 -21.693 1.884 8.366 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.577 0.401 9.293 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.108 -0.550 7.406 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.094 1.054 6.699 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.858 3.142 9.871 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.912 3.140 8.437 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.461 2.370 9.945 1.00 0.00 H new ATOM 130 N LYS A 16 -23.680 -1.863 8.235 1.00 0.00 N ATOM 131 CA LYS A 16 -24.610 -2.647 9.100 1.00 0.00 C ATOM 132 C LYS A 16 -23.809 -3.567 10.020 1.00 0.00 C ATOM 133 O LYS A 16 -22.766 -4.070 9.655 1.00 0.00 O ATOM 134 CB LYS A 16 -25.539 -3.491 8.227 1.00 0.00 C ATOM 135 CG LYS A 16 -26.796 -3.842 9.024 1.00 0.00 C ATOM 136 CD LYS A 16 -27.754 -4.645 8.143 1.00 0.00 C ATOM 137 CE LYS A 16 -28.867 -5.232 9.011 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.903 -4.190 9.264 1.00 0.00 N ATOM 0 H LYS A 16 -23.118 -2.415 7.586 1.00 0.00 H new ATOM 0 HA LYS A 16 -25.202 -1.957 9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.808 -2.942 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.031 -4.401 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.528 -4.420 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -27.283 -2.932 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -28.179 -4.004 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.215 -5.444 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -29.315 -6.092 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.456 -5.588 9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.660 -4.589 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.470 -3.382 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -30.302 -3.870 8.358 1.00 0.00 H new ATOM 139 N ASN A 17 -24.290 -3.794 11.213 1.00 0.00 N ATOM 140 CA ASN A 17 -23.555 -4.683 12.158 1.00 0.00 C ATOM 141 C ASN A 17 -22.062 -4.354 12.110 1.00 0.00 C ATOM 142 O ASN A 17 -21.221 -5.224 12.221 1.00 0.00 O ATOM 143 CB ASN A 17 -23.771 -6.146 11.760 1.00 0.00 C ATOM 144 CG ASN A 17 -23.576 -7.039 12.989 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.157 -6.574 14.030 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.866 -8.308 12.912 1.00 0.00 N ATOM 0 H ASN A 17 -25.160 -3.402 11.574 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.929 -4.526 13.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -24.774 -6.280 11.354 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.069 -6.429 10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -23.741 -8.910 13.726 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.218 -8.699 12.038 1.00 0.00 H new ATOM 147 N GLY A 18 -21.726 -3.104 11.942 1.00 0.00 N ATOM 148 CA GLY A 18 -20.288 -2.719 11.884 1.00 0.00 C ATOM 149 C GLY A 18 -19.667 -3.293 10.611 1.00 0.00 C ATOM 150 O GLY A 18 -18.500 -3.627 10.571 1.00 0.00 O ATOM 0 H GLY A 18 -22.386 -2.333 11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -20.189 -1.634 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.762 -3.095 12.762 1.00 0.00 H new ATOM 151 N LYS A 19 -20.445 -3.415 9.573 1.00 0.00 N ATOM 152 CA LYS A 19 -19.914 -3.973 8.299 1.00 0.00 C ATOM 153 C LYS A 19 -20.369 -3.098 7.131 1.00 0.00 C ATOM 154 O LYS A 19 -21.510 -2.689 7.055 1.00 0.00 O ATOM 155 CB LYS A 19 -20.450 -5.392 8.109 1.00 0.00 C ATOM 156 CG LYS A 19 -19.703 -6.073 6.961 1.00 0.00 C ATOM 157 CD LYS A 19 -20.702 -6.505 5.883 1.00 0.00 C ATOM 158 CE LYS A 19 -20.184 -7.764 5.182 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.987 -8.942 5.615 1.00 0.00 N ATOM 0 H LYS A 19 -21.430 -3.151 9.552 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.825 -3.994 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.325 -5.965 9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.518 -5.362 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.967 -5.390 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.156 -6.940 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.676 -6.700 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.840 -5.703 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.250 -7.644 4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.132 -7.920 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.635 -9.797 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.903 -9.060 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.985 -8.793 5.364 1.00 0.00 H new ATOM 160 N LEU A 20 -19.485 -2.812 6.217 1.00 0.00 N ATOM 161 CA LEU A 20 -19.861 -1.966 5.050 1.00 0.00 C ATOM 162 C LEU A 20 -20.489 -2.853 3.972 1.00 0.00 C ATOM 163 O LEU A 20 -19.890 -3.804 3.509 1.00 0.00 O ATOM 164 CB LEU A 20 -18.596 -1.279 4.508 1.00 0.00 C ATOM 165 CG LEU A 20 -18.796 -0.815 3.057 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.452 0.565 3.039 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.434 -0.731 2.369 1.00 0.00 C ATOM 0 H LEU A 20 -18.515 -3.128 6.228 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.583 -1.205 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.346 -0.423 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.754 -1.969 4.559 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.437 -1.525 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.591 0.888 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.420 0.514 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.813 1.278 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.567 -0.402 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.802 -0.018 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.960 -1.713 2.379 1.00 0.00 H new ATOM 168 N PHE A 21 -21.691 -2.546 3.565 1.00 0.00 N ATOM 169 CA PHE A 21 -22.352 -3.367 2.513 1.00 0.00 C ATOM 170 C PHE A 21 -22.242 -2.650 1.166 1.00 0.00 C ATOM 171 O PHE A 21 -22.509 -1.469 1.056 1.00 0.00 O ATOM 172 CB PHE A 21 -23.825 -3.568 2.870 1.00 0.00 C ATOM 173 CG PHE A 21 -23.943 -4.625 3.941 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.581 -4.330 5.260 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.413 -5.903 3.614 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.689 -5.311 6.253 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.522 -6.885 4.607 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.159 -6.589 5.926 1.00 0.00 C ATOM 0 H PHE A 21 -22.242 -1.763 3.916 1.00 0.00 H new ATOM 0 HA PHE A 21 -21.862 -4.339 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.257 -2.630 3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.387 -3.867 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.218 -3.345 5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -24.692 -6.132 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.410 -5.082 7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -24.886 -7.870 4.355 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.241 -7.346 6.692 1.00 0.00 H new ATOM 179 N CYS A 22 -21.845 -3.353 0.143 1.00 0.00 N ATOM 180 CA CYS A 22 -21.712 -2.716 -1.199 1.00 0.00 C ATOM 181 C CYS A 22 -22.897 -3.112 -2.082 1.00 0.00 C ATOM 182 O CYS A 22 -22.775 -3.944 -2.959 1.00 0.00 O ATOM 183 CB CYS A 22 -20.412 -3.186 -1.856 1.00 0.00 C ATOM 184 SG CYS A 22 -19.351 -1.757 -2.180 1.00 0.00 S ATOM 0 H CYS A 22 -21.606 -4.344 0.177 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.696 -1.632 -1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -19.898 -3.894 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.631 -3.709 -2.787 1.00 0.00 H new ATOM 185 N PRO A 23 -24.066 -2.498 -1.847 1.00 0.00 N ATOM 186 CA PRO A 23 -25.279 -2.780 -2.626 1.00 0.00 C ATOM 187 C PRO A 23 -25.155 -2.276 -4.067 1.00 0.00 C ATOM 188 O PRO A 23 -24.411 -1.359 -4.352 1.00 0.00 O ATOM 189 CB PRO A 23 -26.366 -1.997 -1.889 1.00 0.00 C ATOM 190 CG PRO A 23 -25.630 -0.904 -1.192 1.00 0.00 C ATOM 191 CD PRO A 23 -24.299 -1.482 -0.806 1.00 0.00 C ATOM 0 HA PRO A 23 -25.482 -3.848 -2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.107 -1.598 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.901 -2.630 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.506 -0.040 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.177 -0.564 -0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.516 -0.724 -0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.324 -1.923 0.190 1.00 0.00 H new ATOM 192 N GLN A 24 -25.878 -2.868 -4.978 1.00 0.00 N ATOM 193 CA GLN A 24 -25.798 -2.421 -6.398 1.00 0.00 C ATOM 194 C GLN A 24 -27.011 -1.548 -6.726 1.00 0.00 C ATOM 195 O GLN A 24 -28.102 -1.777 -6.241 1.00 0.00 O ATOM 196 CB GLN A 24 -25.785 -3.643 -7.318 1.00 0.00 C ATOM 197 CG GLN A 24 -24.532 -4.476 -7.043 1.00 0.00 C ATOM 198 CD GLN A 24 -24.545 -5.722 -7.930 1.00 0.00 C ATOM 199 OE1 GLN A 24 -25.561 -6.065 -8.502 1.00 0.00 O ATOM 200 NE2 GLN A 24 -23.450 -6.419 -8.070 1.00 0.00 N ATOM 0 H GLN A 24 -26.520 -3.641 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.885 -1.845 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.678 -4.245 -7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -25.802 -3.326 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -23.638 -3.885 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -24.497 -4.764 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -22.597 -6.131 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -23.447 -7.251 -8.659 1.00 0.00 H new ATOM 201 N ASP A 25 -26.832 -0.551 -7.546 1.00 0.00 N ATOM 202 CA ASP A 25 -27.977 0.333 -7.905 1.00 0.00 C ATOM 203 C ASP A 25 -27.890 0.704 -9.387 1.00 0.00 C ATOM 204 O ASP A 25 -27.019 0.247 -10.101 1.00 0.00 O ATOM 205 CB ASP A 25 -27.928 1.604 -7.055 1.00 0.00 C ATOM 206 CG ASP A 25 -26.593 2.316 -7.281 1.00 0.00 C ATOM 207 OD1 ASP A 25 -25.898 1.949 -8.213 1.00 0.00 O ATOM 208 OD2 ASP A 25 -26.288 3.217 -6.517 1.00 0.00 O ATOM 0 H ASP A 25 -25.943 -0.309 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 25 -28.914 -0.192 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -28.754 2.264 -7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -28.045 1.354 -6.001 1.00 0.00 H new ATOM 209 N LYS A 26 -28.787 1.527 -9.856 1.00 0.00 N ATOM 210 CA LYS A 26 -28.756 1.923 -11.292 1.00 0.00 C ATOM 211 C LYS A 26 -27.645 2.950 -11.518 1.00 0.00 C ATOM 212 O LYS A 26 -27.191 3.151 -12.628 1.00 0.00 O ATOM 213 CB LYS A 26 -30.102 2.539 -11.678 1.00 0.00 C ATOM 214 CG LYS A 26 -31.199 1.476 -11.586 1.00 0.00 C ATOM 215 CD LYS A 26 -32.537 2.092 -11.999 1.00 0.00 C ATOM 216 CE LYS A 26 -33.654 1.067 -11.802 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.922 1.597 -12.379 1.00 0.00 N ATOM 0 H LYS A 26 -29.540 1.942 -9.307 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.566 1.043 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.334 3.374 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.053 2.939 -12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.959 0.632 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -31.262 1.089 -10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.738 2.983 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.498 2.407 -13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.388 0.126 -12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -33.785 0.856 -10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -35.682 0.900 -12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -35.177 2.484 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.792 1.777 -13.395 1.00 0.00 H new ATOM 218 N LYS A 27 -27.204 3.603 -10.478 1.00 0.00 N ATOM 219 CA LYS A 27 -26.124 4.618 -10.642 1.00 0.00 C ATOM 220 C LYS A 27 -24.870 4.158 -9.896 1.00 0.00 C ATOM 221 O LYS A 27 -24.601 4.589 -8.792 1.00 0.00 O ATOM 222 CB LYS A 27 -26.593 5.958 -10.072 1.00 0.00 C ATOM 223 CG LYS A 27 -28.098 6.113 -10.303 1.00 0.00 C ATOM 224 CD LYS A 27 -28.392 7.527 -10.809 1.00 0.00 C ATOM 225 CE LYS A 27 -29.573 8.112 -10.031 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.322 9.557 -9.758 1.00 0.00 N ATOM 0 H LYS A 27 -27.543 3.479 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.893 4.733 -11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.371 6.010 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -26.055 6.777 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -28.443 5.376 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.640 5.927 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.513 8.159 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -28.621 7.503 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -30.493 7.994 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -29.708 7.572 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -30.124 9.955 -9.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.453 9.658 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -29.214 10.067 -10.658 1.00 0.00 H new ATOM 227 N PRO A 28 -24.088 3.265 -10.518 1.00 0.00 N ATOM 228 CA PRO A 28 -22.853 2.741 -9.922 1.00 0.00 C ATOM 229 C PRO A 28 -21.754 3.808 -9.868 1.00 0.00 C ATOM 230 O PRO A 28 -21.878 4.870 -10.444 1.00 0.00 O ATOM 231 CB PRO A 28 -22.443 1.618 -10.873 1.00 0.00 C ATOM 232 CG PRO A 28 -23.062 1.987 -12.180 1.00 0.00 C ATOM 233 CD PRO A 28 -24.346 2.696 -11.852 1.00 0.00 C ATOM 0 HA PRO A 28 -23.002 2.412 -8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.359 1.544 -10.955 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.803 0.651 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.398 2.631 -12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.251 1.100 -12.785 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.575 3.472 -12.583 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.193 2.010 -11.840 1.00 0.00 H new ATOM 234 N ILE A 29 -20.680 3.531 -9.182 1.00 0.00 N ATOM 235 CA ILE A 29 -19.573 4.527 -9.094 1.00 0.00 C ATOM 236 C ILE A 29 -18.311 3.933 -9.729 1.00 0.00 C ATOM 237 O ILE A 29 -17.986 2.780 -9.528 1.00 0.00 O ATOM 238 CB ILE A 29 -19.318 4.883 -7.618 1.00 0.00 C ATOM 239 CG1 ILE A 29 -17.895 5.443 -7.451 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.497 3.635 -6.743 1.00 0.00 C ATOM 241 CD1 ILE A 29 -16.885 4.295 -7.323 1.00 0.00 C ATOM 0 H ILE A 29 -20.520 2.659 -8.678 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.846 5.436 -9.630 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.035 5.642 -7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -17.640 6.068 -8.307 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -17.848 6.079 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.315 3.893 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.514 3.257 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.789 2.867 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.882 4.704 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.133 3.687 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.922 3.677 -8.220 1.00 0.00 H new ATOM 242 N GLN A 30 -17.599 4.714 -10.497 1.00 0.00 N ATOM 243 CA GLN A 30 -16.360 4.196 -11.146 1.00 0.00 C ATOM 244 C GLN A 30 -15.187 4.331 -10.173 1.00 0.00 C ATOM 245 O GLN A 30 -15.003 5.356 -9.545 1.00 0.00 O ATOM 246 CB GLN A 30 -16.072 5.000 -12.415 1.00 0.00 C ATOM 247 CG GLN A 30 -17.126 4.672 -13.474 1.00 0.00 C ATOM 248 CD GLN A 30 -16.795 5.411 -14.772 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.950 6.284 -14.789 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.431 5.097 -15.868 1.00 0.00 N ATOM 0 H GLN A 30 -17.822 5.688 -10.703 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.496 3.147 -11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.083 6.067 -12.193 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.077 4.763 -12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.155 3.597 -13.653 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.115 4.963 -13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.140 4.364 -15.854 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.219 5.584 -16.738 1.00 0.00 H new ATOM 251 N SER A 31 -14.397 3.301 -10.032 1.00 0.00 N ATOM 252 CA SER A 31 -13.249 3.368 -9.084 1.00 0.00 C ATOM 253 C SER A 31 -12.079 4.119 -9.718 1.00 0.00 C ATOM 254 O SER A 31 -11.724 3.900 -10.859 1.00 0.00 O ATOM 255 CB SER A 31 -12.807 1.944 -8.721 1.00 0.00 C ATOM 256 OG SER A 31 -11.654 1.599 -9.472 1.00 0.00 O ATOM 0 H SER A 31 -14.497 2.417 -10.532 1.00 0.00 H new ATOM 0 HA SER A 31 -13.562 3.899 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.592 1.880 -7.654 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.612 1.239 -8.927 1.00 0.00 H new ATOM 0 HG SER A 31 -11.767 1.895 -10.399 1.00 0.00 H new ATOM 257 N LEU A 32 -11.476 5.005 -8.971 1.00 0.00 N ATOM 258 CA LEU A 32 -10.322 5.781 -9.500 1.00 0.00 C ATOM 259 C LEU A 32 -9.076 4.894 -9.490 1.00 0.00 C ATOM 260 O LEU A 32 -8.101 5.166 -10.162 1.00 0.00 O ATOM 261 CB LEU A 32 -10.076 7.001 -8.606 1.00 0.00 C ATOM 262 CG LEU A 32 -11.307 7.913 -8.615 1.00 0.00 C ATOM 263 CD1 LEU A 32 -12.365 7.362 -7.657 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.898 9.314 -8.160 1.00 0.00 C ATOM 0 H LEU A 32 -11.737 5.224 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.537 6.109 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.860 6.678 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.203 7.551 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.719 7.955 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.239 8.013 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.656 6.360 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.955 7.319 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.771 9.967 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.488 9.264 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.144 9.711 -8.839 1.00 0.00 H new ATOM 265 N ASP A 33 -9.101 3.836 -8.725 1.00 0.00 N ATOM 266 CA ASP A 33 -7.920 2.929 -8.660 1.00 0.00 C ATOM 267 C ASP A 33 -7.745 2.212 -10.001 1.00 0.00 C ATOM 268 O ASP A 33 -6.777 1.513 -10.219 1.00 0.00 O ATOM 269 CB ASP A 33 -8.135 1.893 -7.556 1.00 0.00 C ATOM 270 CG ASP A 33 -8.202 2.600 -6.201 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.764 3.736 -6.125 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.690 1.992 -5.262 1.00 0.00 O ATOM 0 H ASP A 33 -9.891 3.560 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.027 3.515 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.057 1.340 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.322 1.167 -7.560 1.00 0.00 H new ATOM 273 N GLY A 34 -8.678 2.373 -10.899 1.00 0.00 N ATOM 274 CA GLY A 34 -8.567 1.695 -12.222 1.00 0.00 C ATOM 275 C GLY A 34 -9.636 0.604 -12.318 1.00 0.00 C ATOM 276 O GLY A 34 -9.642 -0.196 -13.232 1.00 0.00 O ATOM 0 H GLY A 34 -9.513 2.945 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.695 2.419 -13.027 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.574 1.260 -12.339 1.00 0.00 H new ATOM 277 N ILE A 35 -10.541 0.568 -11.379 1.00 0.00 N ATOM 278 CA ILE A 35 -11.612 -0.467 -11.410 1.00 0.00 C ATOM 279 C ILE A 35 -12.959 0.212 -11.666 1.00 0.00 C ATOM 280 O ILE A 35 -13.232 1.280 -11.156 1.00 0.00 O ATOM 281 CB ILE A 35 -11.657 -1.199 -10.064 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.230 -1.462 -9.572 1.00 0.00 C ATOM 283 CG2 ILE A 35 -12.392 -2.530 -10.232 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.250 -1.735 -8.066 1.00 0.00 C ATOM 0 H ILE A 35 -10.585 1.213 -10.590 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.405 -1.184 -12.204 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.182 -0.582 -9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.803 -2.314 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.596 -0.602 -9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.424 -3.051 -9.275 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.409 -2.343 -10.578 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.867 -3.146 -10.963 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.235 -1.922 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.659 -0.870 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.870 -2.608 -7.863 1.00 0.00 H new ATOM 285 N MET A 36 -13.804 -0.396 -12.449 1.00 0.00 N ATOM 286 CA MET A 36 -15.129 0.222 -12.727 1.00 0.00 C ATOM 287 C MET A 36 -16.175 -0.387 -11.793 1.00 0.00 C ATOM 288 O MET A 36 -16.936 -1.251 -12.180 1.00 0.00 O ATOM 289 CB MET A 36 -15.524 -0.049 -14.181 1.00 0.00 C ATOM 290 CG MET A 36 -14.588 0.720 -15.115 1.00 0.00 C ATOM 291 SD MET A 36 -15.204 0.605 -16.814 1.00 0.00 S ATOM 292 CE MET A 36 -16.611 1.726 -16.623 1.00 0.00 C ATOM 0 H MET A 36 -13.635 -1.291 -12.907 1.00 0.00 H new ATOM 0 HA MET A 36 -15.073 1.298 -12.562 1.00 0.00 H new ATOM 0 HB2 MET A 36 -15.468 -1.117 -14.391 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.557 0.256 -14.352 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.528 1.764 -14.808 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.579 0.311 -15.054 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.736 2.311 -17.534 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.515 1.147 -16.437 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.431 2.396 -15.783 1.00 0.00 H new ATOM 293 N PHE A 37 -16.222 0.051 -10.562 1.00 0.00 N ATOM 294 CA PHE A 37 -17.225 -0.518 -9.618 1.00 0.00 C ATOM 295 C PHE A 37 -17.276 0.308 -8.331 1.00 0.00 C ATOM 296 O PHE A 37 -16.676 1.359 -8.226 1.00 0.00 O ATOM 297 CB PHE A 37 -16.851 -1.968 -9.291 1.00 0.00 C ATOM 298 CG PHE A 37 -15.738 -2.007 -8.268 1.00 0.00 C ATOM 299 CD1 PHE A 37 -14.660 -1.117 -8.360 1.00 0.00 C ATOM 300 CD2 PHE A 37 -15.787 -2.940 -7.225 1.00 0.00 C ATOM 301 CE1 PHE A 37 -13.634 -1.161 -7.410 1.00 0.00 C ATOM 302 CE2 PHE A 37 -14.760 -2.983 -6.276 1.00 0.00 C ATOM 303 CZ PHE A 37 -13.683 -2.094 -6.368 1.00 0.00 C ATOM 0 H PHE A 37 -15.614 0.772 -10.173 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.209 -0.491 -10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -17.723 -2.498 -8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -16.537 -2.483 -10.199 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -14.621 -0.397 -9.164 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -16.618 -3.626 -7.153 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.803 -0.474 -7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -14.798 -3.703 -5.472 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.890 -2.128 -5.635 1.00 0.00 H new ATOM 304 N ILE A 38 -18.001 -0.164 -7.352 1.00 0.00 N ATOM 305 CA ILE A 38 -18.110 0.582 -6.067 1.00 0.00 C ATOM 306 C ILE A 38 -16.745 0.650 -5.386 1.00 0.00 C ATOM 307 O ILE A 38 -16.430 -0.149 -4.526 1.00 0.00 O ATOM 308 CB ILE A 38 -19.099 -0.132 -5.146 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.429 -0.328 -5.875 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.325 0.714 -3.891 1.00 0.00 C ATOM 311 CD1 ILE A 38 -21.406 -1.073 -4.963 1.00 0.00 C ATOM 0 H ILE A 38 -18.525 -1.039 -7.389 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.461 1.594 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.695 -1.104 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.846 0.638 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -20.272 -0.891 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.030 0.207 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.378 0.853 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -19.729 1.686 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.354 -1.213 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.989 -2.045 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.572 -0.492 -4.056 1.00 0.00 H new ATOM 312 N ASN A 39 -15.935 1.601 -5.755 1.00 0.00 N ATOM 313 CA ASN A 39 -14.597 1.721 -5.117 1.00 0.00 C ATOM 314 C ASN A 39 -14.779 1.993 -3.629 1.00 0.00 C ATOM 315 O ASN A 39 -13.900 1.737 -2.830 1.00 0.00 O ATOM 316 CB ASN A 39 -13.833 2.883 -5.742 1.00 0.00 C ATOM 317 CG ASN A 39 -12.373 2.836 -5.280 1.00 0.00 C ATOM 318 OD1 ASN A 39 -12.079 2.331 -4.215 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.443 3.348 -6.036 1.00 0.00 N ATOM 0 H ASN A 39 -16.141 2.299 -6.470 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.040 0.796 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.884 2.824 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.288 3.830 -5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.469 3.324 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.689 3.772 -6.930 1.00 0.00 H new ATOM 320 N LYS A 40 -15.915 2.510 -3.252 1.00 0.00 N ATOM 321 CA LYS A 40 -16.156 2.798 -1.816 1.00 0.00 C ATOM 322 C LYS A 40 -15.658 1.618 -0.984 1.00 0.00 C ATOM 323 O LYS A 40 -14.716 1.726 -0.229 1.00 0.00 O ATOM 324 CB LYS A 40 -17.651 3.005 -1.584 1.00 0.00 C ATOM 325 CG LYS A 40 -18.148 4.159 -2.458 1.00 0.00 C ATOM 326 CD LYS A 40 -19.476 4.682 -1.907 1.00 0.00 C ATOM 327 CE LYS A 40 -19.916 5.907 -2.711 1.00 0.00 C ATOM 328 NZ LYS A 40 -21.370 5.802 -3.019 1.00 0.00 N ATOM 0 H LYS A 40 -16.685 2.745 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.622 3.702 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.197 2.092 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.840 3.223 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.409 4.960 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.277 3.821 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.237 3.904 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.367 4.945 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.718 6.817 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.341 5.975 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.827 6.721 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.495 5.527 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.804 5.084 -2.405 1.00 0.00 H new ATOM 329 N CYS A 41 -16.274 0.486 -1.128 1.00 0.00 N ATOM 330 CA CYS A 41 -15.826 -0.701 -0.352 1.00 0.00 C ATOM 331 C CYS A 41 -14.388 -1.053 -0.747 1.00 0.00 C ATOM 332 O CYS A 41 -13.682 -1.725 -0.022 1.00 0.00 O ATOM 333 CB CYS A 41 -16.749 -1.881 -0.651 1.00 0.00 C ATOM 334 SG CYS A 41 -18.470 -1.384 -0.401 1.00 0.00 S ATOM 0 H CYS A 41 -17.068 0.328 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.862 -0.478 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -16.603 -2.219 -1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.504 -2.721 -0.001 1.00 0.00 H new ATOM 335 N ALA A 42 -13.946 -0.599 -1.887 1.00 0.00 N ATOM 336 CA ALA A 42 -12.552 -0.902 -2.320 1.00 0.00 C ATOM 337 C ALA A 42 -11.581 0.043 -1.610 1.00 0.00 C ATOM 338 O ALA A 42 -10.471 -0.325 -1.278 1.00 0.00 O ATOM 339 CB ALA A 42 -12.431 -0.710 -3.832 1.00 0.00 C ATOM 0 H ALA A 42 -14.489 -0.031 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.311 -1.934 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.411 -0.932 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.122 -1.382 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.673 0.321 -4.088 1.00 0.00 H new ATOM 340 N THR A 43 -11.989 1.261 -1.376 1.00 0.00 N ATOM 341 CA THR A 43 -11.090 2.230 -0.690 1.00 0.00 C ATOM 342 C THR A 43 -11.753 2.710 0.606 1.00 0.00 C ATOM 343 O THR A 43 -11.171 2.646 1.671 1.00 0.00 O ATOM 344 CB THR A 43 -10.832 3.428 -1.610 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.075 3.942 -2.073 1.00 0.00 O ATOM 346 CG2 THR A 43 -9.984 2.985 -2.807 1.00 0.00 C ATOM 0 H THR A 43 -12.907 1.626 -1.631 1.00 0.00 H new ATOM 0 HA THR A 43 -10.143 1.745 -0.455 1.00 0.00 H new ATOM 0 HB THR A 43 -10.299 4.202 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.412 3.377 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.802 3.839 -3.460 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.032 2.590 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.514 2.211 -3.362 1.00 0.00 H new ATOM 347 N CYS A 44 -12.969 3.185 0.527 1.00 0.00 N ATOM 348 CA CYS A 44 -13.664 3.661 1.756 1.00 0.00 C ATOM 349 C CYS A 44 -13.685 2.542 2.796 1.00 0.00 C ATOM 350 O CYS A 44 -13.758 2.788 3.980 1.00 0.00 O ATOM 351 CB CYS A 44 -15.102 4.070 1.419 1.00 0.00 C ATOM 352 SG CYS A 44 -15.091 5.734 0.712 1.00 0.00 S ATOM 0 H CYS A 44 -13.509 3.263 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.131 4.523 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -15.538 3.364 0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -15.720 4.046 2.316 1.00 0.00 H new ATOM 353 N LYS A 45 -13.618 1.311 2.368 1.00 0.00 N ATOM 354 CA LYS A 45 -13.628 0.191 3.348 1.00 0.00 C ATOM 355 C LYS A 45 -12.449 0.364 4.305 1.00 0.00 C ATOM 356 O LYS A 45 -12.591 0.262 5.507 1.00 0.00 O ATOM 357 CB LYS A 45 -13.506 -1.142 2.607 1.00 0.00 C ATOM 358 CG LYS A 45 -13.544 -2.293 3.614 1.00 0.00 C ATOM 359 CD LYS A 45 -13.544 -3.625 2.860 1.00 0.00 C ATOM 360 CE LYS A 45 -13.732 -4.774 3.852 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.609 -5.815 3.247 1.00 0.00 N ATOM 0 H LYS A 45 -13.557 1.034 1.388 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.562 0.197 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.319 -1.246 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.575 -1.171 2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.682 -2.238 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.434 -2.216 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.344 -3.636 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.606 -3.748 2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.765 -5.205 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.175 -4.402 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.737 -6.596 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.535 -5.399 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.169 -6.177 2.377 1.00 0.00 H new ATOM 362 N MET A 46 -11.286 0.638 3.781 1.00 0.00 N ATOM 363 CA MET A 46 -10.103 0.834 4.662 1.00 0.00 C ATOM 364 C MET A 46 -10.189 2.223 5.296 1.00 0.00 C ATOM 365 O MET A 46 -9.794 2.429 6.426 1.00 0.00 O ATOM 366 CB MET A 46 -8.822 0.729 3.834 1.00 0.00 C ATOM 367 CG MET A 46 -8.719 -0.672 3.228 1.00 0.00 C ATOM 368 SD MET A 46 -7.134 -0.845 2.373 1.00 0.00 S ATOM 369 CE MET A 46 -7.410 0.435 1.123 1.00 0.00 C ATOM 0 H MET A 46 -11.105 0.734 2.782 1.00 0.00 H new ATOM 0 HA MET A 46 -10.088 0.069 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.825 1.479 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.954 0.930 4.461 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.806 -1.426 4.011 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.540 -0.840 2.531 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.842 0.195 0.225 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.471 0.483 0.879 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.084 1.400 1.512 1.00 0.00 H new ATOM 370 N ILE A 47 -10.712 3.175 4.573 1.00 0.00 N ATOM 371 CA ILE A 47 -10.839 4.552 5.125 1.00 0.00 C ATOM 372 C ILE A 47 -12.020 4.592 6.098 1.00 0.00 C ATOM 373 O ILE A 47 -12.165 5.515 6.877 1.00 0.00 O ATOM 374 CB ILE A 47 -11.081 5.538 3.979 1.00 0.00 C ATOM 375 CG1 ILE A 47 -9.886 5.513 3.023 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.251 6.949 4.543 1.00 0.00 C ATOM 377 CD1 ILE A 47 -10.240 6.275 1.744 1.00 0.00 C ATOM 0 H ILE A 47 -11.058 3.057 3.621 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.924 4.828 5.649 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.985 5.251 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.016 5.965 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.619 4.484 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.423 7.649 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.103 6.969 5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.349 7.236 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.389 6.258 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.098 5.803 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.485 7.308 1.992 1.00 0.00 H new ATOM 378 N LEU A 48 -12.864 3.595 6.060 1.00 0.00 N ATOM 379 CA LEU A 48 -14.034 3.568 6.982 1.00 0.00 C ATOM 380 C LEU A 48 -13.622 2.893 8.291 1.00 0.00 C ATOM 381 O LEU A 48 -14.256 3.059 9.314 1.00 0.00 O ATOM 382 CB LEU A 48 -15.175 2.781 6.329 1.00 0.00 C ATOM 383 CG LEU A 48 -16.408 2.787 7.240 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.619 4.184 7.826 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.642 2.392 6.424 1.00 0.00 C ATOM 0 H LEU A 48 -12.792 2.797 5.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.370 4.584 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.425 3.221 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.858 1.755 6.140 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.256 2.076 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.497 4.179 8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.743 4.471 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.768 4.899 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.521 2.395 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.785 3.105 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.500 1.394 6.009 1.00 0.00 H new ATOM 386 N GLU A 49 -12.558 2.138 8.268 1.00 0.00 N ATOM 387 CA GLU A 49 -12.096 1.458 9.510 1.00 0.00 C ATOM 388 C GLU A 49 -11.267 2.441 10.337 1.00 0.00 C ATOM 389 O GLU A 49 -11.269 2.405 11.551 1.00 0.00 O ATOM 390 CB GLU A 49 -11.238 0.246 9.143 1.00 0.00 C ATOM 391 CG GLU A 49 -12.117 -0.826 8.496 1.00 0.00 C ATOM 392 CD GLU A 49 -11.259 -2.036 8.124 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.050 -1.945 8.262 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.824 -3.033 7.708 1.00 0.00 O ATOM 0 H GLU A 49 -11.988 1.963 7.441 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.957 1.124 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.445 0.543 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.755 -0.154 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.908 -1.126 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.603 -0.424 7.607 1.00 0.00 H new ATOM 395 N LYS A 50 -10.562 3.325 9.684 1.00 0.00 N ATOM 396 CA LYS A 50 -9.736 4.317 10.427 1.00 0.00 C ATOM 397 C LYS A 50 -10.633 5.100 11.387 1.00 0.00 C ATOM 398 O LYS A 50 -10.244 5.426 12.490 1.00 0.00 O ATOM 399 CB LYS A 50 -9.083 5.281 9.433 1.00 0.00 C ATOM 400 CG LYS A 50 -8.183 6.262 10.186 1.00 0.00 C ATOM 401 CD LYS A 50 -7.619 7.290 9.202 1.00 0.00 C ATOM 402 CE LYS A 50 -6.557 8.138 9.904 1.00 0.00 C ATOM 403 NZ LYS A 50 -5.547 8.593 8.907 1.00 0.00 N ATOM 0 H LYS A 50 -10.523 3.402 8.668 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.960 3.801 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.498 4.724 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.850 5.825 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.750 6.765 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.370 5.725 10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.184 6.784 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.420 7.928 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.022 8.998 10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.073 7.557 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.824 9.170 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.095 7.765 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.015 9.162 8.173 1.00 0.00 H new ATOM 404 N GLU A 51 -11.834 5.400 10.975 1.00 0.00 N ATOM 405 CA GLU A 51 -12.760 6.158 11.863 1.00 0.00 C ATOM 406 C GLU A 51 -13.014 5.347 13.136 1.00 0.00 C ATOM 407 O GLU A 51 -13.212 5.893 14.202 1.00 0.00 O ATOM 408 CB GLU A 51 -14.085 6.395 11.135 1.00 0.00 C ATOM 409 CG GLU A 51 -14.990 7.280 11.996 1.00 0.00 C ATOM 410 CD GLU A 51 -16.352 7.430 11.317 1.00 0.00 C ATOM 411 OE1 GLU A 51 -16.545 6.819 10.279 1.00 0.00 O ATOM 412 OE2 GLU A 51 -17.180 8.152 11.847 1.00 0.00 O ATOM 0 H GLU A 51 -12.214 5.153 10.061 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.314 7.118 12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.903 6.871 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.576 5.443 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.112 6.840 12.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.532 8.259 12.137 1.00 0.00 H new ATOM 413 N ALA A 52 -13.004 4.045 13.030 1.00 0.00 N ATOM 414 CA ALA A 52 -13.241 3.199 14.233 1.00 0.00 C ATOM 415 C ALA A 52 -12.109 3.419 15.237 1.00 0.00 C ATOM 416 O ALA A 52 -12.288 3.279 16.431 1.00 0.00 O ATOM 417 CB ALA A 52 -13.281 1.727 13.820 1.00 0.00 C ATOM 0 H ALA A 52 -12.842 3.532 12.163 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.192 3.472 14.691 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.454 1.107 14.700 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.087 1.572 13.102 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.330 1.451 13.363 1.00 0.00 H new ATOM 418 N LYS A 53 -10.942 3.763 14.762 1.00 0.00 N ATOM 419 CA LYS A 53 -9.800 3.994 15.689 1.00 0.00 C ATOM 420 C LYS A 53 -10.153 5.125 16.657 1.00 0.00 C ATOM 421 O LYS A 53 -9.801 5.093 17.820 1.00 0.00 O ATOM 422 CB LYS A 53 -8.558 4.382 14.882 1.00 0.00 C ATOM 423 CG LYS A 53 -7.357 4.506 15.822 1.00 0.00 C ATOM 424 CD LYS A 53 -6.098 4.801 15.004 1.00 0.00 C ATOM 425 CE LYS A 53 -6.201 6.201 14.396 1.00 0.00 C ATOM 426 NZ LYS A 53 -5.002 6.999 14.780 1.00 0.00 N ATOM 0 H LYS A 53 -10.732 3.894 13.773 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.597 3.083 16.252 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.359 3.631 14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.728 5.326 14.365 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.529 5.303 16.546 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.228 3.584 16.388 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.215 4.733 15.639 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.982 4.058 14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.274 6.133 13.311 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.107 6.695 14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.072 7.951 14.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.952 7.074 15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.144 6.530 14.425 1.00 0.00 H new ATOM 427 N SER A 54 -10.847 6.124 16.187 1.00 0.00 N ATOM 428 CA SER A 54 -11.225 7.256 17.079 1.00 0.00 C ATOM 429 C SER A 54 -12.122 6.738 18.204 1.00 0.00 C ATOM 430 O SER A 54 -12.175 7.301 19.279 1.00 0.00 O ATOM 431 CB SER A 54 -11.980 8.313 16.271 1.00 0.00 C ATOM 432 OG SER A 54 -13.238 7.792 15.868 1.00 0.00 O ATOM 0 H SER A 54 -11.169 6.206 15.223 1.00 0.00 H new ATOM 0 HA SER A 54 -10.325 7.700 17.505 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.122 9.212 16.871 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.397 8.602 15.396 1.00 0.00 H new ATOM 0 HG SER A 54 -13.120 6.882 15.524 1.00 0.00 H new ATOM 433 N GLN A 55 -12.830 5.667 17.964 1.00 0.00 N ATOM 434 CA GLN A 55 -13.723 5.113 19.020 1.00 0.00 C ATOM 435 C GLN A 55 -12.881 4.659 20.214 1.00 0.00 C ATOM 436 O GLN A 55 -11.765 4.220 19.994 1.00 0.00 O ATOM 437 CB GLN A 55 -14.495 3.917 18.458 1.00 0.00 C ATOM 438 CG GLN A 55 -15.511 3.432 19.493 1.00 0.00 C ATOM 439 CD GLN A 55 -16.649 4.448 19.606 1.00 0.00 C ATOM 440 OE1 GLN A 55 -17.160 4.919 18.609 1.00 0.00 O ATOM 441 NE2 GLN A 55 -17.072 4.807 20.786 1.00 0.00 N ATOM 442 OXT GLN A 55 -13.367 4.759 21.329 1.00 0.00 O ATOM 0 H GLN A 55 -12.828 5.153 17.083 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.425 5.882 19.342 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.005 4.200 17.537 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.805 3.112 18.205 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.906 2.459 19.202 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.027 3.303 20.461 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.644 4.412 21.623 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.831 5.483 20.872 1.00 0.00 H new TER 443 GLN A 55